Program PWSCF v.4.2.1 starts on 29Jul2010 at 5: 0: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please acknowledge "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Waiting for input... file Ni.pbe-nd-rrkjus.UPF: wavefunction(s) 4S renormalized bravais-lattice index = 0 lattice parameter (a_0) = 5.2476 a.u. unit-cell volume = 366.5579 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 36.0000 Ry charge density cutoff = 360.0000 Ry convergence threshold = 1.0E-10 mixing beta = 0.3000 number of iterations used = 8 plain mixing Exchange-correlation = SLA PW PBE PBE (1434) EXX-fraction = 0.00 nstep = 50 celldm(1)= 5.247637 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of a_0) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.668228 0.000000 ) a(3) = ( 0.000000 0.000000 1.520533 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( 1.000000 0.000000 0.000000 ) b(2) = ( 0.000000 0.599439 0.000000 ) b(3) = ( 0.000000 0.000000 0.657664 ) PseudoPot. # 1 for Ti read from file Ti.pbe-sp-van_ak.UPF Pseudo is Ultrasoft, Zval = 12.0 Generated by new atomic code, or converted to UPF format Using radial grid of 851 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 8 coefficients, rinner = 1.000 1.000 1.000 1.000 1.000 PseudoPot. # 2 for Ni read from file Ni.pbe-nd-rrkjus.UPF Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated by new atomic code, or converted to UPF format Using radial grid of 1203 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.90000 Ti( 1.00) Ni 10.00 58.70000 Ni( 1.00) 8 Sym.Ops. (with inversion) Cartesian axes site n. atom positions (a_0 units) 1 Ti tau( 1) = ( 0.0000000 0.0517151 0.0000000 ) 2 Ni tau( 2) = ( 0.5000000 -0.1101030 0.7602666 ) 3 Ti tau( 3) = ( 0.0000000 0.7823988 0.7602666 ) 4 Ni tau( 4) = ( 0.5000000 0.9442169 0.0000000 ) number of k points= 288 gaussian broad. (Ry)= 0.0500 ngauss = 1 Number of k-points >= 100: set verbosity='high' to print them. G cutoff = 251.1137 ( 42267 G-vectors) FFT grid: ( 32, 54, 50) G cutoff = 100.4455 ( 10679 G-vectors) smooth grid: ( 24, 36, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 1364, 30) NL pseudopotentials 1.50 Mb ( 1364, 72) Each V/rho on FFT grid 1.32 Mb ( 86400) Each G-vector array 0.32 Mb ( 42267) G-vector shells 0.04 Mb ( 5863) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.50 Mb ( 1364, 120) Each subspace H/S matrix 0.22 Mb ( 120, 120) Each matrix 0.03 Mb ( 72, 30) Arrays for rho mixing 10.55 Mb ( 86400, 8) Check: negative/imaginary core charge= -0.000006 0.000000 Initial potential from superposition of free atoms starting charge 41.99899, renormalised to 44.00000 Starting wfc are 32 atomic wfcs total cpu time spent up to now is 19.89 secs per-process dynamical memory: 24.7 Mb Self-consistent Calculation iteration # 1 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.1 total cpu time spent up to now is 94.59 secs total energy = -379.43535244 Ry Harris-Foulkes estimate = -408.97892515 Ry estimated scf accuracy < 61.29032876 Ry iteration # 2 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.0 total cpu time spent up to now is 196.31 secs total energy = -407.67868236 Ry Harris-Foulkes estimate = -418.49808694 Ry estimated scf accuracy < 36.63487702 Ry iteration # 3 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 4.4 total cpu time spent up to now is 267.76 secs total energy = -406.51014641 Ry Harris-Foulkes estimate = -409.10360067 Ry estimated scf accuracy < 13.48728108 Ry iteration # 4 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 1.6 total cpu time spent up to now is 317.56 secs total energy = -403.22710197 Ry Harris-Foulkes estimate = -406.71742695 Ry estimated scf accuracy < 7.44834709 Ry iteration # 5 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.8 total cpu time spent up to now is 396.56 secs total energy = -399.91500308 Ry Harris-Foulkes estimate = -406.84232506 Ry estimated scf accuracy < 43.42790478 Ry iteration # 6 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.0 total cpu time spent up to now is 462.44 secs total energy = -405.27170572 Ry Harris-Foulkes estimate = -405.83222303 Ry estimated scf accuracy < 3.74327983 Ry iteration # 7 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.51E-03, avg # of iterations = 1.0 total cpu time spent up to now is 510.27 secs total energy = -405.33711349 Ry Harris-Foulkes estimate = -405.34927482 Ry estimated scf accuracy < 1.44756103 Ry iteration # 8 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.29E-03, avg # of iterations = 1.0 total cpu time spent up to now is 557.87 secs total energy = -405.35231285 Ry Harris-Foulkes estimate = -405.34267278 Ry estimated scf accuracy < 1.36598671 Ry iteration # 9 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.10E-03, avg # of iterations = 1.0 total cpu time spent up to now is 605.23 secs total energy = -405.40329847 Ry Harris-Foulkes estimate = -405.35496729 Ry estimated scf accuracy < 1.35625435 Ry iteration # 10 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.08E-03, avg # of iterations = 1.0 total cpu time spent up to now is 653.28 secs total energy = -405.34415185 Ry Harris-Foulkes estimate = -405.40689315 Ry estimated scf accuracy < 1.53041890 Ry iteration # 11 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.08E-03, avg # of iterations = 1.0 total cpu time spent up to now is 700.59 secs total energy = -405.57718729 Ry Harris-Foulkes estimate = -405.34978286 Ry estimated scf accuracy < 1.10436090 Ry iteration # 12 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 1.0 total cpu time spent up to now is 748.46 secs total energy = -405.68226705 Ry Harris-Foulkes estimate = -405.61665655 Ry estimated scf accuracy < 2.37637638 Ry iteration # 13 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 1.2 total cpu time spent up to now is 797.13 secs total energy = -405.39246315 Ry Harris-Foulkes estimate = -405.69674156 Ry estimated scf accuracy < 2.60274533 Ry iteration # 14 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 1.0 total cpu time spent up to now is 844.84 secs total energy = -404.80493466 Ry Harris-Foulkes estimate = -405.41713107 Ry estimated scf accuracy < 1.54285947 Ry iteration # 15 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 3.2 total cpu time spent up to now is 920.11 secs total energy = -405.49256457 Ry Harris-Foulkes estimate = -405.41181457 Ry estimated scf accuracy < 3.85659445 Ry iteration # 16 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 1.0 total cpu time spent up to now is 968.09 secs total energy = -404.42007056 Ry Harris-Foulkes estimate = -405.50343631 Ry estimated scf accuracy < 5.02216986 Ry iteration # 17 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.51E-03, avg # of iterations = 3.0 total cpu time spent up to now is 1036.19 secs total energy = -405.15720336 Ry Harris-Foulkes estimate = -405.34027904 Ry estimated scf accuracy < 0.88503664 Ry iteration # 18 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.01E-03, avg # of iterations = 1.0 total cpu time spent up to now is 1084.05 secs total energy = -405.19871150 Ry Harris-Foulkes estimate = -405.19747680 Ry estimated scf accuracy < 0.13983019 Ry iteration # 19 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.18E-04, avg # of iterations = 3.0 total cpu time spent up to now is 1141.98 secs total energy = -405.20507390 Ry Harris-Foulkes estimate = -405.20958939 Ry estimated scf accuracy < 0.10164169 Ry iteration # 20 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.31E-04, avg # of iterations = 1.1 total cpu time spent up to now is 1190.26 secs total energy = -405.20565856 Ry Harris-Foulkes estimate = -405.20622460 Ry estimated scf accuracy < 0.05942179 Ry iteration # 21 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.35E-04, avg # of iterations = 1.1 total cpu time spent up to now is 1238.85 secs total energy = -405.20238499 Ry Harris-Foulkes estimate = -405.20612235 Ry estimated scf accuracy < 0.05942576 Ry iteration # 22 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.35E-04, avg # of iterations = 1.0 total cpu time spent up to now is 1287.84 secs total energy = -405.20207552 Ry Harris-Foulkes estimate = -405.20383557 Ry estimated scf accuracy < 0.01972050 Ry iteration # 23 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.48E-05, avg # of iterations = 1.3 total cpu time spent up to now is 1337.37 secs total energy = -405.20209458 Ry Harris-Foulkes estimate = -405.20278354 Ry estimated scf accuracy < 0.02301116 Ry iteration # 24 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.48E-05, avg # of iterations = 1.0 total cpu time spent up to now is 1386.17 secs total energy = -405.19916035 Ry Harris-Foulkes estimate = -405.20226091 Ry estimated scf accuracy < 0.01531524 Ry iteration # 25 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.48E-05, avg # of iterations = 2.2 total cpu time spent up to now is 1438.42 secs total energy = -405.20083451 Ry Harris-Foulkes estimate = -405.20131152 Ry estimated scf accuracy < 0.00268609 Ry iteration # 26 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.10E-06, avg # of iterations = 2.9 total cpu time spent up to now is 1496.00 secs total energy = -405.20160202 Ry Harris-Foulkes estimate = -405.20155102 Ry estimated scf accuracy < 0.00260875 Ry iteration # 27 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.93E-06, avg # of iterations = 1.0 total cpu time spent up to now is 1544.50 secs total energy = -405.20131194 Ry Harris-Foulkes estimate = -405.20164103 Ry estimated scf accuracy < 0.00203596 Ry iteration # 28 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.63E-06, avg # of iterations = 1.0 total cpu time spent up to now is 1592.82 secs total energy = -405.20125392 Ry Harris-Foulkes estimate = -405.20137678 Ry estimated scf accuracy < 0.00086501 Ry iteration # 29 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.97E-06, avg # of iterations = 1.6 total cpu time spent up to now is 1642.81 secs total energy = -405.20131396 Ry Harris-Foulkes estimate = -405.20128303 Ry estimated scf accuracy < 0.00052411 Ry iteration # 30 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.19E-06, avg # of iterations = 1.0 total cpu time spent up to now is 1691.51 secs total energy = -405.20129608 Ry Harris-Foulkes estimate = -405.20133080 Ry estimated scf accuracy < 0.00063171 Ry iteration # 31 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.19E-06, avg # of iterations = 1.0 total cpu time spent up to now is 1740.46 secs total energy = -405.20117756 Ry Harris-Foulkes estimate = -405.20129815 Ry estimated scf accuracy < 0.00052857 Ry iteration # 32 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.19E-06, avg # of iterations = 1.2 total cpu time spent up to now is 1790.41 secs total energy = -405.20112052 Ry Harris-Foulkes estimate = -405.20119669 Ry estimated scf accuracy < 0.00020738 Ry iteration # 33 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.71E-07, avg # of iterations = 3.1 total cpu time spent up to now is 1855.56 secs total energy = -405.20114058 Ry Harris-Foulkes estimate = -405.20114974 Ry estimated scf accuracy < 0.00002301 Ry iteration # 34 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.23E-08, avg # of iterations = 3.7 total cpu time spent up to now is 1932.51 secs total energy = -405.20113197 Ry Harris-Foulkes estimate = -405.20116238 Ry estimated scf accuracy < 0.00012481 Ry iteration # 35 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.23E-08, avg # of iterations = 3.1 total cpu time spent up to now is 2005.10 secs total energy = -405.20114589 Ry Harris-Foulkes estimate = -405.20114626 Ry estimated scf accuracy < 0.00000100 Ry iteration # 36 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.28E-09, avg # of iterations = 3.5 total cpu time spent up to now is 2083.05 secs total energy = -405.20114593 Ry Harris-Foulkes estimate = -405.20114648 Ry estimated scf accuracy < 0.00000154 Ry iteration # 37 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.28E-09, avg # of iterations = 3.1 total cpu time spent up to now is 2147.34 secs total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 0.00000002 Ry iteration # 38 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.60E-11, avg # of iterations = 3.0 total cpu time spent up to now is 2215.43 secs total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 0.00000002 Ry iteration # 39 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.60E-11, avg # of iterations = 2.8 total cpu time spent up to now is 2271.77 secs total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 3.6E-10 Ry iteration # 40 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.26E-13, avg # of iterations = 3.8 total cpu time spent up to now is 2352.41 secs total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 4.5E-10 Ry iteration # 41 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.26E-13, avg # of iterations = 3.2 total cpu time spent up to now is 2426.32 secs total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 2.1E-10 Ry iteration # 42 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.80E-13, avg # of iterations = 2.9 total cpu time spent up to now is 2485.18 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -42.5603 -42.5142 -18.9199 -18.9127 -18.7291 -18.7154 -18.5146 -18.4809 6.8437 10.1888 10.7712 10.7949 10.8040 12.1947 12.3696 12.4133 12.7437 12.8519 13.0019 13.1805 13.9659 14.4881 14.7337 14.7943 15.2873 16.8607 17.0336 17.0595 17.2193 17.2423 k = 0.0000 0.0000 0.0658 ( 1323 PWs) bands (ev): -42.5591 -42.5153 -18.9190 -18.9102 -18.7336 -18.7178 -18.5138 -18.4816 6.9421 10.1703 10.7049 10.8374 10.9611 12.2299 12.3131 12.4024 12.7816 12.8398 12.8666 13.1419 14.1219 14.4212 14.4655 14.9123 15.2281 16.8690 16.9701 17.0896 17.1457 17.2552 k = 0.0000 0.0000 0.1315 ( 1331 PWs) bands (ev): -42.5557 -42.5184 -18.9154 -18.9040 -18.7430 -18.7254 -18.5119 -18.4844 7.2314 10.1179 10.6828 10.9275 11.2267 12.1148 12.3261 12.3907 12.6867 12.8082 12.8638 13.0077 13.9226 14.2495 14.5505 14.9991 15.1055 16.7774 16.8287 16.8892 17.0488 17.2496 k = 0.0000 0.0000 0.1973 ( 1329 PWs) bands (ev): -42.5504 -42.5234 -18.9089 -18.8960 -18.7537 -18.7366 -18.5085 -18.4885 7.6932 9.9655 10.6932 11.0365 11.4942 11.8308 12.4012 12.4484 12.5925 12.7411 12.7785 12.9367 13.6235 14.1346 14.8035 14.9545 15.1036 16.2694 16.6713 16.7815 16.9499 17.2101 k = 0.0000 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5439 -42.5296 -18.9007 -18.8918 -18.7603 -18.7487 -18.5041 -18.4935 8.2913 9.5708 10.7779 11.0672 11.6276 11.6318 12.4372 12.5130 12.5361 12.5384 12.8094 12.9553 13.6432 13.9786 14.9256 14.9855 15.1601 15.6919 16.5475 16.5900 17.0038 17.1463 k = 0.0000 0.0000-0.3288 ( 1328 PWs) bands (ev): -42.5367 -42.5367 -18.8935 -18.8935 -18.7581 -18.7581 -18.4989 -18.4989 8.9584 8.9584 10.9371 10.9371 11.6165 11.6165 12.4864 12.4864 12.5060 12.5060 12.9006 12.9006 13.8082 13.8082 15.0287 15.0287 15.2633 15.2633 16.5098 16.5098 17.0728 17.0728 k = 0.0000 0.0599 0.0000 ( 1321 PWs) bands (ev): -42.5597 -42.5148 -18.9175 -18.9094 -18.7317 -18.7199 -18.5141 -18.4817 6.9233 10.1851 10.7609 10.8305 10.8351 12.2030 12.3334 12.4369 12.7358 12.8622 12.9383 13.1047 13.9013 14.4733 14.7310 14.7900 15.2044 16.8280 17.0256 17.0268 17.1880 17.2571 k = 0.0000 0.0599 0.0658 ( 1330 PWs) bands (ev): -42.5585 -42.5159 -18.9212 -18.9032 -18.7396 -18.7184 -18.5137 -18.4824 7.0210 10.1733 10.7254 10.8570 10.9713 12.2377 12.2765 12.4242 12.7746 12.7932 12.8517 13.1347 13.9097 14.4484 14.4971 14.9086 15.1940 16.8234 16.9377 16.9603 17.1880 17.2686 k = 0.0000 0.0599 0.1315 ( 1327 PWs) bands (ev): -42.5552 -42.5189 -18.9231 -18.8940 -18.7517 -18.7195 -18.5114 -18.4849 7.3085 10.1366 10.7075 10.9450 11.2202 12.0858 12.3324 12.4101 12.6232 12.8145 12.8670 13.0584 13.6912 14.2803 14.4887 14.9631 15.1942 16.6660 16.7381 16.9104 17.0334 17.2538 k = 0.0000 0.0599 0.1973 ( 1327 PWs) bands (ev): -42.5500 -42.5237 -18.9200 -18.8884 -18.7604 -18.7270 -18.5080 -18.4888 7.7671 10.0047 10.7114 11.0494 11.4759 11.8257 12.4173 12.4547 12.5114 12.7895 12.8208 12.9392 13.4805 14.1247 14.6099 14.9299 15.2501 16.2207 16.5833 16.7823 16.9534 17.2191 k = 0.0000 0.0599 0.2631 ( 1326 PWs) bands (ev): -42.5437 -42.5298 -18.9120 -18.8911 -18.7600 -18.7383 -18.5038 -18.4937 8.3609 9.6261 10.7872 11.0708 11.5901 11.6694 12.4499 12.4517 12.5207 12.6088 12.8194 12.9595 13.5540 13.9533 14.7015 14.9167 15.2994 15.7177 16.4716 16.5760 17.0113 17.1579 k = 0.0000 0.0599-0.3288 ( 1320 PWs) bands (ev): -42.5367 -42.5367 -18.9005 -18.9005 -18.7509 -18.7509 -18.4987 -18.4987 9.0223 9.0223 10.9399 10.9399 11.6222 11.6222 12.4945 12.4945 12.4982 12.4982 12.9071 12.9071 13.7585 13.7585 14.8301 14.8301 15.3946 15.3946 16.4632 16.4632 17.0836 17.0836 k = 0.0000 0.1199 0.0000 ( 1335 PWs) bands (ev): -42.5579 -42.5166 -18.9108 -18.9001 -18.7399 -18.7322 -18.5135 -18.4833 7.1576 10.1043 10.7848 10.8984 10.9341 12.2136 12.2258 12.5021 12.7137 12.7598 12.8881 12.9403 13.7953 14.4397 14.6975 14.7784 15.0478 16.5893 16.7426 17.0062 17.0464 17.3548 k = 0.0000 0.1199 0.0658 ( 1325 PWs) bands (ev): -42.5568 -42.5175 -18.9201 -18.8902 -18.7523 -18.7217 -18.5126 -18.4838 7.2533 10.1184 10.7846 10.9166 11.0188 12.1638 12.2593 12.4822 12.6380 12.7590 12.8802 13.0264 13.6728 14.4091 14.5184 14.8541 15.1277 16.5445 16.7254 16.8825 17.1203 17.3055 k = 0.0000 0.1199 0.1315 ( 1324 PWs) bands (ev): -42.5537 -42.5203 -18.9299 -18.8824 -18.7626 -18.7151 -18.5106 -18.4862 7.5349 10.1429 10.7794 10.9910 11.2096 12.0118 12.3502 12.4603 12.4900 12.8251 12.8826 13.0896 13.3437 14.2673 14.3887 14.8307 15.3058 16.3819 16.6027 16.7971 17.0721 17.2506 k = 0.0000 0.1199 0.1973 ( 1321 PWs) bands (ev): -42.5490 -42.5247 -18.9327 -18.8872 -18.7618 -18.7152 -18.5074 -18.4897 7.9837 10.0914 10.7617 11.0751 11.4253 11.8218 12.3759 12.4546 12.4758 12.8185 12.9234 12.9480 13.1747 14.0735 14.3945 14.7498 15.4247 16.0769 16.4336 16.6755 17.0046 17.2253 k = 0.0000 0.1199 0.2631 ( 1313 PWs) bands (ev): -42.5431 -42.5303 -18.9285 -18.9010 -18.7500 -18.7224 -18.5032 -18.4937 8.5634 9.7777 10.8057 11.0689 11.5576 11.7089 12.3475 12.4893 12.5400 12.6402 12.8473 12.9725 13.3452 13.8689 14.4389 14.6576 15.4482 15.7175 16.3323 16.4846 17.0387 17.1745 k = 0.0000 0.1199-0.3288 ( 1316 PWs) bands (ev): -42.5366 -42.5366 -18.9169 -18.9169 -18.7351 -18.7351 -18.4987 -18.4987 9.2054 9.2054 10.9399 10.9399 11.6397 11.6397 12.4524 12.4524 12.5281 12.5281 12.9263 12.9263 13.6190 13.6190 14.5327 14.5327 15.4983 15.4983 16.3489 16.3489 17.1051 17.1051 k = 0.0000 0.1798 0.0000 ( 1325 PWs) bands (ev): -42.5554 -42.5189 -18.9006 -18.8852 -18.7499 -18.7498 -18.5119 -18.4848 7.5305 9.8168 10.8861 10.9756 11.0942 12.0460 12.2577 12.5059 12.5911 12.6831 12.8179 12.9167 13.7245 14.4049 14.6303 14.7631 14.9246 16.0999 16.6321 16.8816 16.9859 17.3693 k = 0.0000 0.1798 0.0658 ( 1321 PWs) bands (ev): -42.5545 -42.5197 -18.9140 -18.8778 -18.7640 -18.7315 -18.5109 -18.4855 7.6229 9.8652 10.8929 11.0001 11.1318 12.0193 12.2892 12.4258 12.5521 12.7485 12.8604 12.9106 13.6023 14.3629 14.4805 14.7440 15.0783 16.0957 16.6154 16.7379 17.0836 17.3201 k = 0.0000 0.1798 0.1315 ( 1321 PWs) bands (ev): -42.5517 -42.5222 -18.9303 -18.8807 -18.7648 -18.7170 -18.5092 -18.4876 7.8942 9.9891 10.8901 11.0581 11.2423 11.9378 12.2898 12.3749 12.5189 12.8382 12.8845 12.9079 13.3378 14.2059 14.3009 14.6374 15.3432 16.0334 16.4689 16.6375 17.1168 17.2368 k = 0.0000 0.1798 0.1973 ( 1325 PWs) bands (ev): -42.5475 -42.5260 -18.9408 -18.8978 -18.7514 -18.7098 -18.5066 -18.4908 8.3250 10.1037 10.8268 11.1002 11.4011 11.8267 12.1955 12.4827 12.5186 12.7957 12.8565 12.9635 13.1282 13.9675 14.2370 14.4999 15.5002 15.8644 16.2835 16.5282 17.0611 17.2172 k = 0.0000 0.1798 0.2631 ( 1314 PWs) bands (ev): -42.5423 -42.5310 -18.9421 -18.9179 -18.7335 -18.7104 -18.5028 -18.4945 8.8775 9.9695 10.7929 11.0520 11.5550 11.7420 12.2184 12.5336 12.5625 12.5750 12.8863 12.9930 13.1878 13.7208 14.2289 14.3682 15.5003 15.6375 16.1849 16.3549 17.0701 17.1807 k = 0.0000 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5366 -42.5366 -18.9343 -18.9343 -18.7191 -18.7191 -18.4986 -18.4986 9.4782 9.4782 10.9142 10.9142 11.6682 11.6682 12.3620 12.3620 12.5630 12.5630 12.9551 12.9551 13.4361 13.4361 14.2699 14.2699 15.5004 15.5004 16.2140 16.2140 17.1229 17.1229 k = 0.0000 0.2398 0.0000 ( 1318 PWs) bands (ev): -42.5532 -42.5211 -18.8915 -18.8696 -18.7678 -18.7586 -18.5102 -18.4865 8.0026 9.3422 11.0043 11.0462 11.2770 11.9300 12.2477 12.2873 12.6544 12.6735 12.7619 12.9337 13.6920 14.3839 14.5624 14.7495 14.8574 15.7088 16.5346 16.7562 16.9696 17.3801 k = 0.0000 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5524 -42.5218 -18.9043 -18.8725 -18.7690 -18.7446 -18.5097 -18.4872 8.0897 9.4126 11.0171 11.0666 11.2936 11.9243 12.1791 12.3168 12.5934 12.7627 12.7768 12.9283 13.6024 14.3306 14.4287 14.6393 15.0506 15.7413 16.5263 16.6119 17.0625 17.3299 k = 0.0000 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5499 -42.5239 -18.9249 -18.8894 -18.7559 -18.7255 -18.5084 -18.4891 8.3445 9.6101 11.0011 11.1323 11.3548 11.8985 12.0399 12.3977 12.5580 12.7601 12.8652 12.9220 13.4196 14.1291 14.2509 14.4436 15.3487 15.7498 16.3672 16.5094 17.1435 17.2226 k = 0.0000 0.2398 0.1973 ( 1325 PWs) bands (ev): -42.5462 -42.5273 -18.9415 -18.9130 -18.7357 -18.7117 -18.5058 -18.4918 8.7457 9.8834 10.8845 11.1777 11.4642 11.8017 11.9972 12.5015 12.5541 12.6453 12.8939 12.9773 13.2540 13.8136 14.1454 14.2801 15.5205 15.6664 16.1708 16.4105 17.1032 17.2006 k = 0.0000 0.2398 0.2631 ( 1329 PWs) bands (ev): -42.5416 -42.5316 -18.9495 -18.9336 -18.7187 -18.7059 -18.5023 -18.4952 9.2504 10.0577 10.7225 11.0699 11.5948 11.7457 12.0724 12.4492 12.5675 12.5793 12.9227 13.0134 13.1899 13.5255 14.0943 14.1585 15.4902 15.5374 16.0724 16.2471 17.0928 17.1783 k = 0.0000 0.2398-0.3288 ( 1328 PWs) bands (ev): -42.5365 -42.5365 -18.9468 -18.9468 -18.7079 -18.7079 -18.4989 -18.4989 9.7698 9.7698 10.8431 10.8431 11.7009 11.7009 12.2361 12.2361 12.5890 12.5890 12.9831 12.9831 13.2941 13.2941 14.0968 14.0968 15.4555 15.4555 16.1061 16.1061 17.1324 17.1324 k = 0.0000-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5523 -42.5220 -18.8878 -18.8621 -18.7775 -18.7624 -18.5098 -18.4874 8.3562 8.9742 11.0475 11.0836 11.3773 11.8937 12.1189 12.2999 12.6421 12.7090 12.7462 12.9372 13.6850 14.3783 14.5325 14.7435 14.8367 15.5549 16.4951 16.7087 16.9636 17.3847 k = 0.0000-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5515 -42.5227 -18.8987 -18.8731 -18.7666 -18.7536 -18.5092 -18.4882 8.4371 9.0555 11.0791 11.0854 11.3899 11.8959 12.0496 12.3286 12.6008 12.7549 12.7798 12.9317 13.6101 14.3203 14.4050 14.5931 15.0418 15.6062 16.4906 16.5639 17.0553 17.3340 k = 0.0000-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5492 -42.5247 -18.9198 -18.8970 -18.7451 -18.7355 -18.5080 -18.4899 8.6724 9.2888 11.0496 11.1616 11.4508 11.8803 11.9062 12.4072 12.5695 12.7284 12.8879 12.9187 13.4626 14.0883 14.2455 14.3480 15.3504 15.6399 16.3290 16.4608 17.1525 17.2166 k = 0.0000-0.2997 0.1973 ( 1324 PWs) bands (ev): -42.5456 -42.5278 -18.9389 -18.9217 -18.7242 -18.7182 -18.5049 -18.4922 9.0388 9.6363 10.9107 11.2318 11.5759 11.6911 11.9344 12.5090 12.5662 12.6013 12.9120 12.9813 13.3395 13.7060 14.1213 14.1909 15.5376 15.5736 16.1291 16.3658 17.1213 17.1907 k = 0.0000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5413 -42.5319 -18.9505 -18.9411 -18.7098 -18.7071 -18.5022 -18.4951 9.4888 9.9831 10.7014 11.0961 11.6514 11.7026 12.0048 12.3933 12.5819 12.5833 12.9383 13.0220 13.2558 13.3888 14.0505 14.0841 15.4682 15.5051 16.0303 16.2057 17.1020 17.1769 k = 0.0000-0.2997-0.3288 ( 1324 PWs) bands (ev): -42.5365 -42.5365 -18.9509 -18.9509 -18.7038 -18.7038 -18.4988 -18.4988 9.9173 9.9173 10.7852 10.7852 11.7179 11.7179 12.1697 12.1697 12.5984 12.5984 12.9951 12.9951 13.2453 13.2453 14.0368 14.0368 15.4328 15.4328 16.0656 16.0656 17.1362 17.1362 k = 0.0714 0.0000 0.0000 ( 1328 PWs) bands (ev): -42.5568 -42.5109 -18.9168 -18.9095 -18.7265 -18.7127 -18.5432 -18.5083 6.9588 10.2794 10.8258 10.8344 10.8599 12.1700 12.3564 12.3737 12.7197 12.8142 12.9933 13.2164 13.8807 14.5533 14.6936 14.8247 15.0694 16.8585 16.9721 17.0814 17.2905 17.3918 k = 0.0714 0.0000 0.0658 ( 1339 PWs) bands (ev): -42.5557 -42.5120 -18.9161 -18.9073 -18.7308 -18.7155 -18.5421 -18.5094 7.0561 10.2600 10.7609 10.8939 10.9993 12.1985 12.3031 12.3573 12.7483 12.8025 12.8709 13.1703 14.0386 14.3746 14.5329 14.9339 15.0920 16.7542 17.0249 17.0412 17.1182 17.3276 k = 0.0714 0.0000 0.1315 ( 1336 PWs) bands (ev): -42.5523 -42.5151 -18.9120 -18.9006 -18.7400 -18.7229 -18.5398 -18.5120 7.3421 10.2073 10.7455 10.9860 11.2591 12.0977 12.2726 12.3572 12.6695 12.7735 12.8497 12.9967 13.9297 14.2387 14.5554 15.0182 15.0754 16.5406 16.8702 16.8939 17.0003 17.1927 k = 0.0714 0.0000 0.1973 ( 1335 PWs) bands (ev): -42.5470 -42.5200 -18.9054 -18.8930 -18.7507 -18.7337 -18.5362 -18.5160 7.7991 10.0570 10.7584 11.1000 11.5274 11.8200 12.3604 12.3673 12.5767 12.6690 12.7589 12.9090 13.7110 14.1807 14.7639 15.0211 15.0935 16.1617 16.6865 16.7275 16.8510 17.0897 k = 0.0714 0.0000 0.2631 ( 1325 PWs) bands (ev): -42.5405 -42.5263 -18.8971 -18.8883 -18.7568 -18.7455 -18.5313 -18.5205 8.3916 9.6644 10.8414 11.1346 11.6324 11.6607 12.3780 12.3946 12.5089 12.5351 12.7647 12.9132 13.7340 14.0302 14.9527 15.0306 15.1493 15.7092 16.5253 16.5510 16.8343 16.9904 k = 0.0714 0.0000-0.3288 ( 1324 PWs) bands (ev): -42.5333 -42.5333 -18.8900 -18.8900 -18.7547 -18.7547 -18.5262 -18.5262 9.0542 9.0542 10.9998 10.9998 11.6369 11.6369 12.3775 12.3775 12.5251 12.5251 12.8431 12.8431 13.8677 13.8677 15.0484 15.0484 15.3212 15.3212 16.4700 16.4700 16.8965 16.8965 k = 0.0714 0.0599 0.0000 ( 1330 PWs) bands (ev): -42.5562 -42.5115 -18.9144 -18.9062 -18.7295 -18.7171 -18.5425 -18.5087 7.0376 10.2761 10.8262 10.8600 10.8899 12.1777 12.3303 12.3731 12.7096 12.8260 12.9285 13.1263 13.8569 14.5415 14.6962 14.8209 15.0381 16.7810 16.9023 16.9852 17.2691 17.2754 k = 0.0714 0.0599 0.0658 ( 1331 PWs) bands (ev): -42.5551 -42.5126 -18.9180 -18.8999 -18.7365 -18.7154 -18.5416 -18.5098 7.1341 10.2630 10.7846 10.9135 11.0059 12.2005 12.2707 12.3688 12.7394 12.7907 12.8171 13.1639 13.8604 14.4602 14.5197 14.9380 15.0656 16.7188 16.8322 17.0262 17.1118 17.3340 k = 0.0714 0.0599 0.1315 ( 1333 PWs) bands (ev): -42.5517 -42.5156 -18.9198 -18.8906 -18.7487 -18.7170 -18.5394 -18.5123 7.4182 10.2249 10.7717 11.0046 11.2490 12.0633 12.2844 12.3681 12.6136 12.7751 12.8241 13.0794 13.6874 14.2966 14.5160 15.0056 15.1101 16.5091 16.7065 16.8753 17.1328 17.1396 k = 0.0714 0.0599 0.1973 ( 1337 PWs) bands (ev): -42.5466 -42.5204 -18.9166 -18.8853 -18.7574 -18.7243 -18.5360 -18.5164 7.8718 10.0939 10.7779 11.1141 11.5026 11.8142 12.3666 12.3681 12.5026 12.7278 12.7742 12.9363 13.5632 14.1751 14.6199 14.9833 15.1960 16.1461 16.5355 16.8188 16.8481 17.1067 k = 0.0714 0.0599 0.2631 ( 1329 PWs) bands (ev): -42.5403 -42.5265 -18.9084 -18.8879 -18.7568 -18.7355 -18.5315 -18.5208 8.4596 9.7173 10.8509 11.1378 11.6011 11.6880 12.3498 12.4042 12.4825 12.5864 12.7749 12.9178 13.6416 14.0059 14.7412 14.9537 15.2798 15.7389 16.4148 16.5877 16.8511 17.0254 k = 0.0714 0.0599-0.3288 ( 1322 PWs) bands (ev): -42.5333 -42.5333 -18.8972 -18.8972 -18.7478 -18.7478 -18.5260 -18.5260 9.1160 9.1160 11.0019 11.0019 11.6416 11.6416 12.3739 12.3739 12.5289 12.5289 12.8499 12.8499 13.8158 13.8158 14.8705 14.8705 15.4288 15.4288 16.4291 16.4291 16.9304 16.9304 k = 0.0714 0.1199 0.0000 ( 1327 PWs) bands (ev): -42.5544 -42.5132 -18.9074 -18.8967 -18.7368 -18.7291 -18.5410 -18.5101 7.2693 10.1971 10.8519 10.9525 10.9599 12.1957 12.1991 12.4154 12.6684 12.7646 12.8520 12.9434 13.8320 14.5126 14.7033 14.7902 14.9704 16.4970 16.7977 16.8175 17.0662 17.2630 k = 0.0714 0.1199 0.0658 ( 1329 PWs) bands (ev): -42.5534 -42.5142 -18.9171 -18.8868 -18.7490 -18.7192 -18.5405 -18.5110 7.3638 10.2093 10.8510 10.9719 11.0441 12.1322 12.2385 12.4058 12.6274 12.7181 12.8434 13.0385 13.7055 14.4811 14.5199 14.8715 15.0550 16.4531 16.7136 16.8475 17.0326 17.2693 k = 0.0714 0.1199 0.1315 ( 1327 PWs) bands (ev): -42.5503 -42.5170 -18.9264 -18.8792 -18.7596 -18.7124 -18.5383 -18.5132 7.6416 10.2295 10.8490 11.0523 11.2271 11.9841 12.3068 12.3911 12.4877 12.7654 12.8292 13.1357 13.3682 14.3040 14.4431 14.8639 15.2216 16.3190 16.5300 16.8418 17.0102 17.2069 k = 0.0714 0.1199 0.1973 ( 1329 PWs) bands (ev): -42.5456 -42.5214 -18.9296 -18.8838 -18.7586 -18.7126 -18.5350 -18.5171 8.0847 10.1745 10.8332 11.1411 11.4351 11.8118 12.3057 12.3856 12.4586 12.7631 12.8106 13.0126 13.2529 14.1281 14.4427 14.7973 15.3409 16.0589 16.3689 16.7666 16.9089 17.1329 k = 0.0714 0.1199 0.2631 ( 1326 PWs) bands (ev): -42.5397 -42.5270 -18.9249 -18.8979 -18.7471 -18.7199 -18.5310 -18.5213 8.6575 9.8618 10.8714 11.1318 11.5653 11.7226 12.2760 12.4116 12.4906 12.6410 12.8011 12.9226 13.4249 13.9207 14.4960 14.7060 15.4070 15.7470 16.2911 16.5358 16.9147 17.0785 k = 0.0714 0.1199-0.3288 ( 1318 PWs) bands (ev): -42.5333 -42.5333 -18.9133 -18.9133 -18.7322 -18.7322 -18.5260 -18.5260 9.2932 9.2932 11.0000 11.0000 11.6567 11.6567 12.3515 12.3515 12.5422 12.5422 12.8657 12.8657 13.6712 13.6712 14.5930 14.5930 15.5164 15.5164 16.3454 16.3454 16.9944 16.9944 k = 0.0714 0.1798 0.0000 ( 1328 PWs) bands (ev): -42.5520 -42.5156 -18.8978 -18.8818 -18.7469 -18.7467 -18.5396 -18.5122 7.6383 9.9123 10.9520 11.0311 11.1140 12.0200 12.2281 12.4642 12.4751 12.6750 12.8095 12.8789 13.8422 14.4816 14.7115 14.7279 14.9051 16.0876 16.6343 16.7660 16.8617 17.2608 k = 0.0714 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5511 -42.5164 -18.9105 -18.8747 -18.7614 -18.7287 -18.5389 -18.5129 7.7292 9.9586 10.9609 11.0574 11.1473 11.9899 12.2589 12.4109 12.4488 12.6915 12.8510 12.8809 13.7209 14.4390 14.5182 14.7484 15.0638 16.0762 16.6068 16.6534 16.9503 17.2379 k = 0.0714 0.1798 0.1315 ( 1332 PWs) bands (ev): -42.5483 -42.5188 -18.9269 -18.8776 -18.7619 -18.7146 -18.5371 -18.5149 7.9961 10.0760 10.9634 11.1176 11.2495 11.9127 12.2461 12.3569 12.4411 12.7467 12.8432 12.9172 13.4496 14.2467 14.3764 14.6756 15.2945 16.0188 16.3963 16.6737 16.9836 17.1862 k = 0.0714 0.1798 0.1973 ( 1329 PWs) bands (ev): -42.5441 -42.5227 -18.9372 -18.8943 -18.7484 -18.7073 -18.5340 -18.5180 8.4202 10.1810 10.9040 11.1581 11.4042 11.8190 12.1429 12.4110 12.4758 12.7600 12.8382 12.8916 13.2294 14.0186 14.3135 14.5607 15.4201 15.8831 16.2466 16.6157 16.9618 17.1345 k = 0.0714 0.1798 0.2631 ( 1325 PWs) bands (ev): -42.5389 -42.5276 -18.9386 -18.9144 -18.7309 -18.7078 -18.5304 -18.5219 8.9643 10.0426 10.8630 11.1060 11.5630 11.7505 12.1643 12.4039 12.5179 12.6538 12.8316 12.8917 13.2672 13.7683 14.3075 14.4430 15.4566 15.6840 16.1895 16.4232 16.9815 17.1040 k = 0.0714 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5332 -42.5332 -18.9303 -18.9303 -18.7162 -18.7162 -18.5261 -18.5261 9.5567 9.5567 10.9724 10.9724 11.6820 11.6820 12.2895 12.2895 12.5621 12.5621 12.8764 12.8764 13.4857 13.4857 14.3531 14.3531 15.5258 15.5258 16.2441 16.2441 17.0473 17.0473 k = 0.0714 0.2398 0.0000 ( 1331 PWs) bands (ev): -42.5498 -42.5177 -18.8889 -18.8663 -18.7651 -18.7562 -18.5380 -18.5140 8.1051 9.4405 11.0654 11.1078 11.2893 11.9046 12.2200 12.2644 12.4986 12.6411 12.7530 12.8859 13.8799 14.4624 14.6634 14.7183 14.8621 15.7434 16.5097 16.7118 16.7393 17.2600 k = 0.0714 0.2398 0.0658 ( 1331 PWs) bands (ev): -42.5490 -42.5184 -18.9011 -18.8692 -18.7661 -18.7420 -18.5374 -18.5146 8.1905 9.5085 11.0825 11.1269 11.3028 11.8983 12.1591 12.2921 12.4771 12.6691 12.7758 12.8813 13.7932 14.4021 14.4978 14.6397 15.0668 15.7696 16.4978 16.5129 16.9029 17.2273 k = 0.0714 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5465 -42.5206 -18.9214 -18.8860 -18.7526 -18.7228 -18.5355 -18.5164 8.4404 9.6989 11.0686 11.1958 11.3586 11.8777 12.0142 12.3727 12.4566 12.7189 12.7833 12.8729 13.6064 14.1519 14.3385 14.4998 15.3400 15.7738 16.2844 16.5090 16.9977 17.1550 k = 0.0714 0.2398 0.1973 ( 1326 PWs) bands (ev): -42.5428 -42.5239 -18.9377 -18.9093 -18.7328 -18.7087 -18.5331 -18.5191 8.8337 9.9605 10.9498 11.2464 11.4643 11.7925 11.9604 12.4372 12.4893 12.6611 12.8197 12.8634 13.4011 13.8458 14.2381 14.3659 15.4712 15.7074 16.1664 16.4467 17.0132 17.1049 k = 0.0714 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.5382 -42.5283 -18.9455 -18.9300 -18.7158 -18.7028 -18.5299 -18.5225 9.3281 10.1216 10.7887 11.1282 11.5995 11.7507 12.0366 12.3742 12.5404 12.6031 12.8520 12.8639 13.2841 13.5739 14.1906 14.2594 15.4807 15.5980 16.1121 16.2885 17.0320 17.0984 k = 0.0714 0.2398-0.3288 ( 1324 PWs) bands (ev): -42.5332 -42.5332 -18.9426 -18.9426 -18.7049 -18.7049 -18.5261 -18.5261 9.8370 9.8370 10.9019 10.9019 11.7107 11.7107 12.1959 12.1959 12.5774 12.5774 12.8699 12.8699 13.3541 13.3541 14.1998 14.1998 15.5106 15.5106 16.1379 16.1379 17.0760 17.0760 k = 0.0714-0.2997 0.0000 ( 1336 PWs) bands (ev): -42.5489 -42.5186 -18.8852 -18.8586 -18.7739 -18.7600 -18.5375 -18.5150 8.4534 9.0768 11.1044 11.1504 11.3852 11.8697 12.1025 12.2702 12.5098 12.6280 12.7386 12.8849 13.9034 14.4573 14.6348 14.7209 14.8475 15.6066 16.4611 16.6570 16.7308 17.2596 k = 0.0714-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5481 -42.5193 -18.8952 -18.8696 -18.7635 -18.7509 -18.5367 -18.5154 8.5325 9.1557 11.1374 11.1534 11.3956 11.8712 12.0362 12.3004 12.4855 12.6603 12.7543 12.8815 13.8348 14.3842 14.4921 14.5896 15.0677 15.6514 16.4537 16.4599 16.8890 17.2247 k = 0.0714-0.2997 0.1315 ( 1324 PWs) bands (ev): -42.5458 -42.5213 -18.9159 -18.8932 -18.7418 -18.7324 -18.5351 -18.5168 8.7627 9.3816 11.1142 11.2256 11.4565 11.8647 11.8809 12.3821 12.4609 12.7000 12.7637 12.8746 13.6980 14.0841 14.3356 14.4177 15.3623 15.6753 16.2412 16.4452 17.0036 17.1422 k = 0.0714-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.5422 -42.5245 -18.9351 -18.9181 -18.7215 -18.7156 -18.5331 -18.5192 9.1208 9.7170 10.9690 11.3110 11.5857 11.6616 11.9092 12.4527 12.4889 12.6106 12.8166 12.8706 13.5609 13.6782 14.2155 14.2913 15.5139 15.6121 16.1401 16.3731 17.0513 17.0706 k = 0.0714-0.2997 0.2631 ( 1334 PWs) bands (ev): -42.5379 -42.5285 -18.9466 -18.9373 -18.7071 -18.7042 -18.5298 -18.5227 9.5600 10.0476 10.7618 11.1624 11.6406 11.7151 11.9794 12.3515 12.5505 12.5736 12.8535 12.8688 13.3786 13.4186 14.1520 14.1960 15.5190 15.5308 16.0856 16.2220 17.0583 17.0839 k = 0.0714-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.5332 -42.5332 -18.9472 -18.9472 -18.7014 -18.7014 -18.5263 -18.5263 9.9775 9.9775 10.8462 10.8462 11.7248 11.7248 12.1449 12.1449 12.5823 12.5823 12.8623 12.8623 13.3147 13.3147 14.1474 14.1474 15.5044 15.5044 16.0883 16.0883 17.0834 17.0834 k = 0.1429 0.0000 0.0000 ( 1344 PWs) bands (ev): -42.5471 -42.5016 -18.9083 -18.9006 -18.7194 -18.7056 -18.6217 -18.5829 7.2972 10.5426 10.9125 11.0004 11.0118 12.1041 12.2065 12.3784 12.6553 12.7267 12.9649 13.3013 13.6745 14.2492 14.7367 14.9030 15.1102 16.6590 16.6939 16.8623 17.2748 17.8505 k = 0.1429 0.0000 0.0658 ( 1338 PWs) bands (ev): -42.5459 -42.5027 -18.9066 -18.8979 -18.7229 -18.7081 -18.6206 -18.5835 7.3909 10.5197 10.9049 11.0466 11.1082 12.1186 12.1913 12.3170 12.6678 12.7158 12.8776 13.2122 13.8221 14.1275 14.7219 14.9129 15.1579 16.5260 16.6700 16.8780 17.1292 17.9914 k = 0.1429 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5426 -42.5058 -18.9025 -18.8914 -18.7318 -18.7150 -18.6182 -18.5862 7.6665 10.4660 10.9148 11.1430 11.3408 12.0408 12.1478 12.2737 12.5979 12.6870 12.8507 12.9087 13.9700 14.0623 14.7015 14.9428 15.2264 16.2821 16.5951 16.7315 16.9732 17.5359 k = 0.1429 0.0000 0.1973 ( 1333 PWs) bands (ev): -42.5374 -42.5107 -18.8956 -18.8838 -18.7419 -18.7258 -18.6136 -18.5902 8.1076 10.3214 10.9361 11.2709 11.6093 11.7908 12.1667 12.2773 12.4906 12.5080 12.6845 12.8718 13.9396 14.1698 14.7587 15.0029 15.2659 16.0308 16.4792 16.5394 16.7979 17.1094 k = 0.1429 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5309 -42.5169 -18.8874 -18.8790 -18.7482 -18.7374 -18.6082 -18.5959 8.6816 9.9323 11.0121 11.3164 11.6366 11.7555 12.1754 12.2505 12.3556 12.4772 12.6614 12.8203 13.9750 14.1132 14.9137 15.1188 15.2791 15.7791 16.3758 16.4273 16.6106 16.7970 k = 0.1429 0.0000-0.3288 ( 1332 PWs) bands (ev): -42.5239 -42.5239 -18.8809 -18.8809 -18.7461 -18.7461 -18.6020 -18.6020 9.3284 9.3284 11.1642 11.1642 11.7017 11.7017 12.2001 12.2001 12.4556 12.4556 12.6999 12.6999 14.0307 14.0307 15.0752 15.0752 15.4826 15.4826 16.3641 16.3641 16.6097 16.6097 k = 0.1429 0.0599 0.0000 ( 1341 PWs) bands (ev): -42.5465 -42.5022 -18.9057 -18.8970 -18.7225 -18.7096 -18.6209 -18.5832 7.3732 10.5398 10.9429 10.9977 11.0374 12.1103 12.2066 12.3187 12.6403 12.7455 12.8940 13.1524 13.7642 14.2970 14.7302 14.9009 15.1031 16.5604 16.6110 16.8632 17.2114 17.6559 k = 0.1429 0.0599 0.0658 ( 1335 PWs) bands (ev): -42.5454 -42.5032 -18.9088 -18.8904 -18.7287 -18.7079 -18.6201 -18.5840 7.4660 10.5225 10.9338 11.0673 11.1050 12.1133 12.1854 12.2819 12.6563 12.7220 12.7925 13.2058 13.7149 14.2425 14.7132 14.9220 15.1410 16.4863 16.5320 16.8994 17.0643 17.8074 k = 0.1429 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5421 -42.5063 -18.9105 -18.8814 -18.7405 -18.7095 -18.6175 -18.5867 7.7392 10.4797 10.9429 11.1647 11.3202 11.9958 12.1677 12.2675 12.5648 12.6727 12.7587 13.0734 13.6616 14.2348 14.6815 14.9745 15.1906 16.2622 16.4407 16.7606 16.9861 17.6127 k = 0.1429 0.0599 0.1973 ( 1335 PWs) bands (ev): -42.5370 -42.5110 -18.9068 -18.8760 -18.7488 -18.7163 -18.6132 -18.5908 8.1761 10.3504 10.9563 11.2887 11.5563 11.7927 12.1780 12.2472 12.4458 12.5686 12.6927 12.9140 13.7351 14.2175 14.6985 15.0672 15.1936 16.0476 16.3018 16.6092 16.8951 17.1370 k = 0.1429 0.0599 0.2631 ( 1332 PWs) bands (ev): -42.5307 -42.5171 -18.8985 -18.8785 -18.7484 -18.7273 -18.6078 -18.5960 8.7442 9.9766 11.0195 11.3131 11.6156 11.7644 12.1725 12.2199 12.3983 12.4875 12.6695 12.8292 13.8506 14.1050 14.8026 15.1136 15.2438 15.8244 16.2239 16.5816 16.6516 16.8237 k = 0.1429 0.0599-0.3288 ( 1332 PWs) bands (ev): -42.5239 -42.5239 -18.8877 -18.8877 -18.7396 -18.7396 -18.6020 -18.6020 9.3832 9.3832 11.1602 11.1602 11.7063 11.7063 12.1962 12.1962 12.4623 12.4623 12.7100 12.7100 13.9708 13.9708 14.9632 14.9632 15.5179 15.5179 16.3598 16.3598 16.6690 16.6690 k = 0.1429 0.1199 0.0000 ( 1329 PWs) bands (ev): -42.5447 -42.5039 -18.8983 -18.8870 -18.7291 -18.7213 -18.6192 -18.5845 7.5967 10.4648 11.0258 11.0313 11.0982 12.1274 12.1303 12.2293 12.5753 12.7407 12.7752 12.9260 13.9096 14.4068 14.7145 14.8964 15.0744 16.3034 16.4947 16.7712 17.1194 17.2719 k = 0.1429 0.1199 0.0658 ( 1333 PWs) bands (ev): -42.5437 -42.5048 -18.9076 -18.8776 -18.7411 -18.7118 -18.6185 -18.5854 7.6870 10.4715 11.0177 11.1033 11.1343 12.0447 12.1711 12.2385 12.5767 12.6410 12.7708 13.0311 13.7492 14.3768 14.6922 14.9199 15.1107 16.2607 16.4070 16.8393 16.9491 17.4358 k = 0.1429 0.1199 0.1315 ( 1338 PWs) bands (ev): -42.5407 -42.5076 -18.9168 -18.8703 -18.7514 -18.7051 -18.6161 -18.5880 7.9527 10.4778 11.0282 11.2165 11.2654 11.9148 12.1950 12.2360 12.4642 12.6375 12.7507 13.1804 13.3790 14.3190 14.6430 14.9656 15.1624 16.1633 16.2406 16.7717 16.9327 17.5248 k = 0.1429 0.1199 0.1973 ( 1337 PWs) bands (ev): -42.5360 -42.5120 -18.9195 -18.8746 -18.7502 -18.7051 -18.6123 -18.5918 8.3767 10.4101 11.0180 11.3109 11.4432 11.8038 12.1490 12.2130 12.4289 12.6109 12.7111 13.0259 13.3749 14.2128 14.6137 14.9766 15.1986 16.0507 16.1076 16.6731 16.9540 17.1966 k = 0.1429 0.1199 0.2631 ( 1335 PWs) bands (ev): -42.5302 -42.5175 -18.9149 -18.8884 -18.7389 -18.7120 -18.6074 -18.5966 8.9261 10.0959 11.0373 11.2733 11.5955 11.7805 12.1310 12.2076 12.4464 12.5315 12.6883 12.8449 13.5835 14.0250 14.6511 14.8944 15.3149 15.8361 16.1459 16.6640 16.7560 16.8909 k = 0.1429 0.1199-0.3288 ( 1332 PWs) bands (ev): -42.5238 -42.5238 -18.9035 -18.9035 -18.7242 -18.7242 -18.6021 -18.6021 9.5395 9.5395 11.1416 11.1416 11.7216 11.7216 12.1818 12.1818 12.4827 12.4827 12.7291 12.7291 13.8030 13.8030 14.7600 14.7600 15.5504 15.5504 16.3652 16.3652 16.7811 16.7811 k = 0.1429 0.1798 0.0000 ( 1326 PWs) bands (ev): -42.5424 -42.5062 -18.8887 -18.8725 -18.7390 -18.7383 -18.6169 -18.5867 7.9528 10.1856 11.1199 11.1670 11.1808 11.9541 12.1493 12.2093 12.3939 12.6460 12.7714 12.7945 14.0733 14.5227 14.6959 14.8891 15.0219 16.0411 16.3704 16.6004 16.8998 17.0575 k = 0.1429 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5414 -42.5070 -18.9010 -18.8656 -18.7531 -18.7208 -18.6162 -18.5874 8.0388 10.2247 11.1337 11.1839 11.2139 11.9191 12.1768 12.2082 12.3704 12.6073 12.7778 12.8413 13.9228 14.4587 14.6718 14.8641 15.1143 16.0138 16.2898 16.6569 16.8352 17.1466 k = 0.1429 0.1798 0.1315 ( 1336 PWs) bands (ev): -42.5387 -42.5095 -18.9170 -18.8684 -18.7536 -18.7069 -18.6142 -18.5897 8.2914 10.3206 11.1467 11.2267 11.3101 11.8593 12.1248 12.2157 12.3718 12.6086 12.7545 12.9211 13.5786 14.3163 14.6072 14.8384 15.2251 15.9901 16.1227 16.7587 16.7789 17.2231 k = 0.1429 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5346 -42.5133 -18.9267 -18.8848 -18.7403 -18.6995 -18.6110 -18.5931 8.6925 10.3942 11.0896 11.2524 11.4572 11.8178 12.0162 12.2367 12.4252 12.6227 12.7177 12.9617 13.2831 14.1302 14.5466 14.7734 15.2831 15.9500 16.0491 16.7376 16.8452 17.1218 k = 0.1429 0.1798 0.2631 ( 1337 PWs) bands (ev): -42.5294 -42.5182 -18.9279 -18.9046 -18.7232 -18.7002 -18.6068 -18.5973 9.2075 10.2390 11.0247 11.1997 11.6212 11.7933 12.0533 12.2248 12.4616 12.5955 12.6970 12.8210 13.3527 13.8711 14.5358 14.6792 15.3846 15.8057 16.1195 16.6571 16.7984 16.9590 k = 0.1429 0.1798-0.3288 ( 1332 PWs) bands (ev): -42.5238 -42.5238 -18.9201 -18.9201 -18.7084 -18.7084 -18.6019 -18.6019 9.7700 9.7700 11.0937 11.0937 11.7458 11.7458 12.1557 12.1557 12.5142 12.5142 12.7274 12.7274 13.5877 13.5877 14.5882 14.5882 15.5814 15.5814 16.3331 16.3331 16.8798 16.8798 k = 0.1429 0.2398 0.0000 ( 1330 PWs) bands (ev): -42.5402 -42.5083 -18.8800 -18.8568 -18.7566 -18.7483 -18.6150 -18.5887 8.4027 9.7212 11.2221 11.2684 11.3201 11.8568 12.1376 12.1767 12.2098 12.6040 12.7186 12.7659 14.2395 14.6073 14.6789 14.8818 14.9672 15.8377 16.2837 16.4427 16.6258 17.0222 k = 0.1429 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5394 -42.5090 -18.8914 -18.8597 -18.7576 -18.7338 -18.6143 -18.5891 8.4824 9.7808 11.2410 11.2858 11.3297 11.8494 12.0883 12.1840 12.2416 12.5824 12.7482 12.7633 14.1250 14.4690 14.6703 14.7816 15.1487 15.8396 16.1741 16.4733 16.6930 17.0323 k = 0.1429 0.2398 0.1315 ( 1332 PWs) bands (ev): -42.5370 -42.5111 -18.9114 -18.8764 -18.7445 -18.7153 -18.6126 -18.5912 8.7152 9.9462 11.2087 11.3607 11.3878 11.8420 11.9402 12.2114 12.3309 12.5835 12.7303 12.7886 13.8284 14.2330 14.5885 14.7085 15.3221 15.8438 16.0449 16.5414 16.7624 17.0417 k = 0.1429 0.2398 0.1973 ( 1334 PWs) bands (ev): -42.5333 -42.5145 -18.9271 -18.8994 -18.7250 -18.7013 -18.6097 -18.5943 9.0808 10.1680 11.0772 11.3854 11.5098 11.7880 11.8839 12.2534 12.4285 12.5931 12.6773 12.8173 13.4736 13.9863 14.5021 14.6249 15.3892 15.8014 16.0893 16.5895 16.7909 17.0060 k = 0.1429 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.5287 -42.5188 -18.9345 -18.9195 -18.7079 -18.6947 -18.6060 -18.5980 9.5396 10.2871 10.9207 11.2251 11.6588 11.7893 11.9718 12.2570 12.4634 12.6147 12.6501 12.7728 13.3051 13.6982 14.4623 14.5440 15.4847 15.7644 16.1132 16.4690 16.8590 16.9647 k = 0.1429 0.2398-0.3288 ( 1332 PWs) bands (ev): -42.5237 -42.5237 -18.9318 -18.9318 -18.6972 -18.6972 -18.6020 -18.6020 10.0115 10.0115 11.0124 11.0124 11.7669 11.7669 12.1269 12.1269 12.5534 12.5534 12.6807 12.6807 13.4313 13.4313 14.4824 14.4824 15.6487 15.6487 16.2211 16.2211 16.9365 16.9365 k = 0.1429-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5393 -42.5092 -18.8762 -18.8488 -18.7650 -18.7521 -18.6142 -18.5897 8.7344 9.3702 11.2585 11.3148 11.4027 11.8340 12.0521 12.1564 12.1968 12.5895 12.7073 12.7468 14.3219 14.6384 14.6687 14.8787 14.9425 15.7562 16.2536 16.3829 16.5205 17.0104 k = 0.1429-0.2997 0.0658 ( 1326 PWs) bands (ev): -42.5385 -42.5098 -18.8858 -18.8599 -18.7549 -18.7431 -18.6135 -18.5901 8.8074 9.4406 11.2925 11.3148 11.4115 11.8340 11.9911 12.1676 12.2317 12.5729 12.7229 12.7510 14.2479 14.4280 14.6941 14.7253 15.1722 15.7716 16.1243 16.3920 16.6347 17.0072 k = 0.1429-0.2997 0.1315 ( 1332 PWs) bands (ev): -42.5363 -42.5119 -18.9059 -18.8837 -18.7339 -18.7244 -18.6122 -18.5920 9.0193 9.6412 11.2443 11.3880 11.4919 11.8201 11.8424 12.1998 12.3230 12.5723 12.7035 12.7680 14.0352 14.0871 14.5933 14.6469 15.3926 15.7457 16.0459 16.4227 16.7557 16.9901 k = 0.1429-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5328 -42.5150 -18.9247 -18.9079 -18.7138 -18.7074 -18.6089 -18.5946 9.3479 9.9352 11.0785 11.5219 11.5734 11.6346 11.8704 12.2576 12.4406 12.5399 12.6595 12.7967 13.6053 13.8723 14.4868 14.5731 15.4843 15.6815 16.1724 16.4131 16.8160 16.9582 k = 0.1429-0.2997 0.2631 ( 1338 PWs) bands (ev): -42.5284 -42.5191 -18.9355 -18.9265 -18.6994 -18.6965 -18.6057 -18.5983 9.7491 10.2133 10.8787 11.2653 11.6731 11.7699 11.9414 12.2821 12.4629 12.5495 12.6556 12.7676 13.3307 13.6100 14.4356 14.5003 15.5980 15.6703 16.2021 16.2789 16.8914 16.9483 k = 0.1429-0.2997-0.3288 ( 1328 PWs) bands (ev): -42.5237 -42.5237 -18.9360 -18.9360 -18.6930 -18.6930 -18.6020 -18.6020 10.1301 10.1301 10.9584 10.9584 11.7743 11.7743 12.1139 12.1139 12.5931 12.5931 12.6264 12.6264 13.3818 13.3818 14.4474 14.4474 15.7035 15.7035 16.1363 16.1363 16.9534 16.9534 k = 0.2143 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.5330 -42.4881 -18.8955 -18.8870 -18.7340 -18.7091 -18.6971 -18.6870 7.8382 10.9482 11.0373 11.2100 11.2117 12.0105 12.0188 12.3635 12.5687 12.6296 12.9132 13.4043 13.4491 13.7008 14.8243 14.9830 15.5972 16.2441 16.2449 16.8650 17.3074 18.5103 k = 0.2143 0.0000 0.0658 ( 1349 PWs) bands (ev): -42.5319 -42.4892 -18.8937 -18.8845 -18.7331 -18.7113 -18.6993 -18.6880 7.9250 10.9082 11.0921 11.2456 11.2620 12.0052 12.0239 12.2862 12.5679 12.6166 12.8869 13.1533 13.5489 13.8487 14.8301 14.9769 15.5992 16.1763 16.2211 16.8469 17.1498 18.7158 k = 0.2143 0.0000 0.1315 ( 1333 PWs) bands (ev): -42.5286 -42.4923 -18.8888 -18.8779 -18.7313 -18.7169 -18.7052 -18.6913 8.1807 10.8538 11.1519 11.3416 11.4236 11.9373 12.0250 12.1857 12.4929 12.5696 12.7242 12.8877 13.7365 14.0453 14.8518 14.9671 15.6021 16.0521 16.1565 16.6649 16.9485 18.1010 k = 0.2143 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.5235 -42.4971 -18.8818 -18.8706 -18.7331 -18.7194 -18.7149 -18.6966 8.5906 10.7194 11.1857 11.4821 11.6561 11.7568 12.0084 12.1651 12.2694 12.3944 12.5749 12.8543 13.9162 14.2156 14.9122 14.9771 15.5897 15.9876 16.0930 16.3557 16.7815 17.4163 k = 0.2143 0.0000 0.2631 ( 1331 PWs) bands (ev): -42.5171 -42.5033 -18.8732 -18.8658 -18.7369 -18.7261 -18.7153 -18.7026 9.1269 10.3300 11.2422 11.5330 11.6655 11.8591 11.9824 12.1109 12.1397 12.3615 12.5310 12.7054 14.0778 14.2767 15.0398 15.0718 15.5255 15.8863 16.1253 16.2119 16.5615 16.8672 k = 0.2143 0.0000-0.3288 ( 1336 PWs) bands (ev): -42.5102 -42.5102 -18.8672 -18.8672 -18.7348 -18.7348 -18.7091 -18.7091 9.7396 9.7396 11.3645 11.3645 11.8190 11.8190 12.0029 12.0029 12.3273 12.3273 12.5269 12.5269 14.2108 14.2108 15.1429 15.1429 15.6042 15.6042 16.2628 16.2628 16.4955 16.4955 k = 0.2143 0.0599 0.0000 ( 1353 PWs) bands (ev): -42.5324 -42.4887 -18.8927 -18.8831 -18.7334 -18.7119 -18.7006 -18.6880 7.9088 10.9443 11.0610 11.2094 11.2329 11.9972 12.0230 12.2899 12.5478 12.6538 12.8247 13.1356 13.7103 13.8019 14.8323 14.9819 15.5856 16.1795 16.2077 16.8459 17.2312 18.1985 k = 0.2143 0.0599 0.0658 ( 1344 PWs) bands (ev): -42.5313 -42.4897 -18.8956 -18.8772 -18.7327 -18.7164 -18.6990 -18.6887 7.9944 10.9121 11.1106 11.2500 11.2707 11.9781 12.0319 12.2358 12.5559 12.6149 12.7786 13.1806 13.4950 13.9923 14.8399 14.9774 15.5835 16.0922 16.2056 16.8445 17.0713 18.3877 k = 0.2143 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5281 -42.4927 -18.8965 -18.8682 -18.7334 -18.7233 -18.7001 -18.6915 8.2466 10.8606 11.1698 11.3592 11.3970 11.8970 12.0411 12.1562 12.4721 12.5513 12.6913 13.0268 13.5346 14.1677 14.8595 14.9711 15.5690 15.9600 16.1584 16.6781 16.9122 18.2113 k = 0.2143 0.0599 0.1973 ( 1338 PWs) bands (ev): -42.5231 -42.4974 -18.8927 -18.8629 -18.7382 -18.7217 -18.7057 -18.6963 8.6504 10.7303 11.1952 11.5055 11.5453 11.7977 12.0180 12.0993 12.3461 12.4085 12.5825 12.8914 13.7409 14.2730 14.9068 14.9972 15.5064 15.9295 16.0862 16.4167 16.8020 17.4946 k = 0.2143 0.0599 0.2631 ( 1336 PWs) bands (ev): -42.5169 -42.5034 -18.8843 -18.8651 -18.7371 -18.7190 -18.7129 -18.7026 9.1777 10.3536 11.2339 11.4728 11.6758 11.8695 12.0001 12.0639 12.2353 12.3592 12.5395 12.7236 13.9598 14.2607 14.9884 15.1252 15.4065 15.8855 16.0759 16.3438 16.6199 16.9026 k = 0.2143 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.5101 -42.5101 -18.8739 -18.8739 -18.7285 -18.7285 -18.7089 -18.7089 9.7782 9.7782 11.3341 11.3341 11.8341 11.8341 12.0131 12.0131 12.3327 12.3327 12.5477 12.5477 14.1432 14.1432 15.1063 15.1063 15.5695 15.5695 16.3434 16.3434 16.5193 16.5193 k = 0.2143 0.1199 0.0000 ( 1341 PWs) bands (ev): -42.5307 -42.4903 -18.8855 -18.8735 -18.7314 -18.7187 -18.7104 -18.6901 8.1166 10.8686 11.1299 11.2296 11.2914 11.9292 12.0341 12.1534 12.4608 12.6711 12.6750 12.9002 13.9861 14.0137 14.8570 14.9829 15.5510 16.0493 16.1055 16.7510 17.0732 17.6277 k = 0.2143 0.1199 0.0658 ( 1341 PWs) bands (ev): -42.5297 -42.4913 -18.8942 -18.8646 -18.7337 -18.7257 -18.7023 -18.6906 8.1987 10.8662 11.1549 11.2491 11.3310 11.8958 12.0401 12.1443 12.4845 12.5566 12.7088 12.9753 13.6988 14.2007 14.8646 14.9793 15.5372 15.9420 16.1393 16.7814 16.9090 17.8074 k = 0.2143 0.1199 0.1315 ( 1343 PWs) bands (ev): -42.5267 -42.4941 -18.9027 -18.8574 -18.7409 -18.7252 -18.6976 -18.6910 8.4401 10.8451 11.2138 11.3002 11.4322 11.8341 12.0588 12.0867 12.4146 12.5244 12.6848 13.1421 13.3443 14.3127 14.8818 14.9783 15.4670 15.8412 16.1224 16.6676 16.8270 18.0471 k = 0.2143 0.1199 0.1973 ( 1342 PWs) bands (ev): -42.5221 -42.4984 -18.9050 -18.8613 -18.7396 -18.7210 -18.7000 -18.6921 8.8254 10.7426 11.2297 11.3470 11.5648 11.8302 11.9942 12.0707 12.3568 12.4892 12.5993 13.0165 13.4136 14.3079 14.9050 15.0339 15.3279 15.8648 16.0769 16.4970 16.8174 17.6393 k = 0.2143 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.5164 -42.5039 -18.9001 -18.8743 -18.7283 -18.7158 -18.7049 -18.6985 9.3253 10.4147 11.2154 11.3197 11.7225 11.8857 12.0221 12.0481 12.3502 12.3740 12.5584 12.7816 13.6970 14.1732 14.9375 15.1563 15.2471 15.8361 16.1247 16.4792 16.7252 16.9928 k = 0.2143 0.1199-0.3288 ( 1334 PWs) bands (ev): -42.5101 -42.5101 -18.8890 -18.8890 -18.7158 -18.7158 -18.7065 -18.7065 9.8880 9.8880 11.2548 11.2548 11.8658 11.8658 12.0397 12.0397 12.3496 12.3496 12.6028 12.6028 13.9594 13.9594 15.0240 15.0240 15.5459 15.5459 16.4700 16.4700 16.5920 16.5920 k = 0.2143 0.1798 0.0000 ( 1330 PWs) bands (ev): -42.5284 -42.4926 -18.8757 -18.8588 -18.7315 -18.7281 -18.7237 -18.6924 8.4474 10.5892 11.2348 11.3022 11.3714 11.8216 12.0452 12.0610 12.2876 12.5898 12.6375 12.7689 14.2359 14.2797 14.8889 14.9872 15.5004 15.9545 15.9636 16.5625 16.9278 17.0782 k = 0.2143 0.1798 0.0658 ( 1335 PWs) bands (ev): -42.5275 -42.4934 -18.8875 -18.8523 -18.7424 -18.7261 -18.7107 -18.6932 8.5235 10.6120 11.2228 11.3204 11.4111 11.8086 12.0299 12.0735 12.3203 12.5204 12.6745 12.7918 13.9827 14.3998 14.8993 14.9812 15.4748 15.8259 16.0543 16.5781 16.7841 17.2723 k = 0.2143 0.1798 0.1315 ( 1343 PWs) bands (ev): -42.5249 -42.4958 -18.9027 -18.8551 -18.7429 -18.7236 -18.6996 -18.6927 8.7465 10.6621 11.2033 11.3465 11.5037 11.8032 11.9899 12.0694 12.3491 12.4975 12.6731 12.8840 13.6101 14.4121 14.9184 14.9782 15.3510 15.8076 16.0557 16.5759 16.7309 17.4760 k = 0.2143 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5208 -42.4997 -18.9118 -18.8707 -18.7298 -18.7191 -18.7004 -18.6874 9.0999 10.6714 11.1673 11.2984 11.6272 11.8552 11.9276 12.0953 12.3419 12.5287 12.5968 13.0716 13.2569 14.2732 14.9018 15.0529 15.2214 15.8790 16.0427 16.5427 16.7727 17.4704 k = 0.2143 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.5157 -42.5046 -18.9124 -18.8901 -18.7170 -18.7113 -18.7035 -18.6880 9.5520 10.4782 11.1221 11.2100 11.7743 11.9145 11.9848 12.1072 12.3334 12.4701 12.5788 12.8870 13.4197 14.0174 14.8947 15.0356 15.3228 15.8783 16.1196 16.5869 16.7657 17.0239 k = 0.2143 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.5101 -42.5101 -18.9051 -18.9051 -18.7112 -18.7112 -18.6961 -18.6961 10.0475 10.0475 11.1467 11.1467 11.8968 11.8968 12.0697 12.0697 12.3677 12.3677 12.6820 12.6820 13.7213 13.7213 14.9421 14.9421 15.6098 15.6098 16.4851 16.4851 16.7025 16.7025 k = 0.2143 0.2398 0.0000 ( 1323 PWs) bands (ev): -42.5263 -42.4946 -18.8669 -18.8429 -18.7449 -18.7372 -18.7245 -18.6943 8.8642 10.1362 11.3510 11.3893 11.4431 11.7911 11.9801 12.0220 12.1427 12.5472 12.5904 12.6988 14.4085 14.5745 14.9158 14.9772 15.4508 15.8332 15.9508 16.3603 16.6282 16.8331 k = 0.2143 0.2398 0.0658 ( 1329 PWs) bands (ev): -42.5255 -42.4953 -18.8780 -18.8463 -18.7465 -18.7241 -18.7227 -18.6953 8.9316 10.1764 11.3201 11.4160 11.4747 11.7880 11.9576 12.0291 12.1959 12.4984 12.6206 12.7034 14.2299 14.5694 14.9349 14.9724 15.4392 15.7729 15.9812 16.3701 16.6241 16.9231 k = 0.2143 0.2398 0.1315 ( 1337 PWs) bands (ev): -42.5232 -42.4975 -18.8969 -18.8627 -18.7339 -18.7217 -18.7054 -18.6962 9.1279 10.2856 11.2430 11.4561 11.5462 11.7859 11.9196 12.0584 12.2882 12.4668 12.6501 12.7222 13.8718 14.4472 14.9428 14.9732 15.3425 15.8367 15.9605 16.4460 16.6471 17.0423 k = 0.2143 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.5195 -42.5009 -18.9119 -18.8850 -18.7197 -18.7139 -18.7011 -18.6892 9.4343 10.4250 11.1063 11.3793 11.6658 11.8302 11.9218 12.1208 12.3358 12.4889 12.5858 12.8821 13.4742 14.1863 14.8910 14.9883 15.3452 15.8405 16.0903 16.5386 16.6796 17.0510 k = 0.2143 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5150 -42.5052 -18.9186 -18.9044 -18.7148 -18.7068 -18.6952 -18.6829 9.8165 10.4682 10.9683 11.2042 11.8161 11.9209 11.9641 12.1851 12.3153 12.4480 12.6235 12.9806 13.2651 13.8487 14.8619 14.9485 15.5079 15.9827 16.0668 16.6489 16.6801 16.8806 k = 0.2143 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.5100 -42.5100 -18.9163 -18.9163 -18.7102 -18.7102 -18.6856 -18.6856 10.2109 10.2109 11.0343 11.0343 11.9212 11.9212 12.0877 12.0877 12.3736 12.3736 12.7702 12.7702 13.5146 13.5146 14.8864 14.8864 15.7816 15.7816 16.3531 16.3531 16.7745 16.7745 k = 0.2143-0.2997 0.0000 ( 1320 PWs) bands (ev): -42.5255 -42.4955 -18.8633 -18.8349 -18.7531 -18.7409 -18.7238 -18.6951 9.1654 9.8089 11.4118 11.4292 11.4705 11.8146 11.9238 11.9685 12.1173 12.5325 12.5730 12.6701 14.4763 14.7454 14.9263 14.9393 15.4279 15.7780 15.9817 16.3289 16.3674 16.8004 k = 0.2143-0.2997 0.0658 ( 1322 PWs) bands (ev): -42.5247 -42.4962 -18.8723 -18.8461 -18.7436 -18.7319 -18.7229 -18.6956 9.2244 9.8607 11.3777 11.4623 11.4905 11.7978 11.9168 11.9864 12.1639 12.4922 12.5935 12.6762 14.3318 14.6478 14.9489 14.9622 15.4434 15.7599 15.9289 16.3563 16.4436 16.8388 k = 0.2143-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5225 -42.4982 -18.8915 -18.8696 -18.7237 -18.7214 -18.7131 -18.6976 9.3954 10.0067 11.2759 11.5159 11.5502 11.7570 11.9207 12.0401 12.2605 12.4517 12.6419 12.6708 13.9911 14.4400 14.9533 14.9578 15.4097 15.7950 15.9412 16.4342 16.5511 16.8896 k = 0.2143-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5190 -42.5014 -18.9092 -18.8931 -18.7179 -18.7072 -18.6971 -18.6958 9.6589 10.2153 11.1017 11.4183 11.6879 11.7862 11.9457 12.1325 12.3507 12.4269 12.5877 12.8227 13.5857 14.1272 14.8879 14.9547 15.5087 15.6962 16.2288 16.4894 16.6001 16.8750 k = 0.2143-0.2997 0.2631 ( 1336 PWs) bands (ev): -42.5147 -42.5054 -18.9195 -18.9112 -18.7143 -18.7065 -18.6871 -18.6848 9.9793 10.3946 10.9196 11.2049 11.8577 11.8737 11.9773 12.2383 12.3112 12.3978 12.6482 12.9808 13.2695 13.7635 14.8492 14.9194 15.7542 15.7633 16.3106 16.3997 16.6826 16.8248 k = 0.2143-0.2997-0.3288 ( 1316 PWs) bands (ev): -42.5100 -42.5100 -18.9198 -18.9198 -18.7097 -18.7097 -18.6811 -18.6811 10.2892 10.2892 10.9777 10.9777 11.9319 11.9319 12.0913 12.0913 12.3731 12.3731 12.8158 12.8158 13.4273 13.4273 14.8674 14.8674 15.9688 15.9688 16.1685 16.1685 16.7963 16.7963 k = 0.2857 0.0000 0.0000 ( 1360 PWs) bands (ev): -42.5173 -42.4731 -18.8810 -18.8716 -18.8561 -18.8056 -18.6976 -18.6825 8.5460 11.1697 11.3814 11.3889 11.4462 11.8160 11.9395 12.3122 12.4812 12.5749 12.8400 13.2288 13.2898 13.4992 14.7416 15.1676 15.7912 15.8607 16.3135 16.8588 17.3538 19.2883 k = 0.2857 0.0000 0.0658 ( 1347 PWs) bands (ev): -42.5162 -42.4741 -18.8791 -18.8694 -18.8546 -18.8066 -18.6994 -18.6843 8.6212 11.1863 11.4013 11.4147 11.4527 11.8179 11.9545 12.2403 12.4764 12.5509 12.8929 12.9245 13.3003 13.7609 14.7475 15.1591 15.7655 15.8637 16.2985 16.8483 17.1868 19.5054 k = 0.2857 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5130 -42.4772 -18.8738 -18.8633 -18.8509 -18.8098 -18.7058 -18.6910 8.8424 11.2102 11.4499 11.4851 11.4883 11.8054 11.9698 12.1429 12.4141 12.4287 12.5684 12.9359 13.3885 14.0930 14.7660 15.1515 15.6914 15.8915 16.2655 16.7041 16.9221 18.7353 k = 0.2857 0.0000 0.1973 ( 1343 PWs) bands (ev): -42.5080 -42.4820 -18.8665 -18.8563 -18.8447 -18.8150 -18.7146 -18.7010 9.1971 11.1268 11.4824 11.5757 11.5760 11.7480 11.9133 12.1167 12.1997 12.3140 12.4668 12.8119 13.6309 14.3899 14.8023 15.1723 15.5925 15.9850 16.2477 16.3191 16.7914 17.8507 k = 0.2857 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.5018 -42.4881 -18.8579 -18.8517 -18.8367 -18.8213 -18.7204 -18.7118 9.6626 10.7470 11.4884 11.6008 11.6873 11.7225 11.9454 12.1137 12.1684 12.2442 12.3996 12.5821 13.9513 14.4655 14.9750 15.2135 15.5165 15.9097 16.1829 16.2855 16.6412 17.1304 k = 0.2857 0.0000-0.3288 ( 1350 PWs) bands (ev): -42.4949 -42.4949 -18.8526 -18.8526 -18.8290 -18.8290 -18.7196 -18.7196 10.2022 10.2022 11.5345 11.5345 11.7467 11.7467 12.0392 12.0392 12.2463 12.2463 12.3809 12.3809 14.2627 14.2627 15.2002 15.2002 15.5810 15.5810 16.3641 16.3641 16.6397 16.6397 k = 0.2857 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.5167 -42.4737 -18.8782 -18.8681 -18.8551 -18.8065 -18.6998 -18.6856 8.6074 11.1844 11.3542 11.3872 11.4695 11.7952 11.9410 12.2626 12.4548 12.5891 12.7147 13.0962 13.3905 13.7174 14.7623 15.1579 15.8018 15.8289 16.2919 16.8408 17.2777 18.8098 k = 0.2857 0.0599 0.0658 ( 1345 PWs) bands (ev): -42.5156 -42.4747 -18.8806 -18.8624 -18.8539 -18.8075 -18.7045 -18.6845 8.6806 11.1939 11.3710 11.4053 11.4819 11.7892 11.9613 12.1895 12.4685 12.5341 12.7449 13.0583 13.2735 13.8929 14.7671 15.1494 15.7346 15.8726 16.2762 16.8379 17.1112 18.9901 k = 0.2857 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.5125 -42.4777 -18.8810 -18.8538 -18.8497 -18.8105 -18.7142 -18.6857 8.8960 11.2053 11.3925 11.4428 11.5435 11.7752 11.9816 12.0919 12.3895 12.4704 12.6127 13.0121 13.2944 14.1631 14.7808 15.1470 15.6412 15.9183 16.2358 16.7098 16.8723 18.8342 k = 0.2857 0.0599 0.1973 ( 1342 PWs) bands (ev): -42.5076 -42.4823 -18.8770 -18.8490 -18.8433 -18.8153 -18.7216 -18.6919 9.2406 11.1051 11.3933 11.4673 11.6438 11.7714 11.9307 12.1097 12.2816 12.3424 12.4808 12.8513 13.5599 14.4092 14.8129 15.1804 15.5473 16.0013 16.1576 16.4028 16.7823 17.9253 k = 0.2857 0.0599 0.2631 ( 1338 PWs) bands (ev): -42.5016 -42.4883 -18.8686 -18.8507 -18.8361 -18.8214 -18.7209 -18.7019 9.6911 10.7293 11.4002 11.4529 11.7537 11.8064 11.9961 12.1372 12.2013 12.2507 12.4230 12.6173 13.8958 14.4359 14.9942 15.2314 15.4844 15.8653 16.2021 16.3437 16.6547 17.1755 k = 0.2857 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4949 -42.4949 -18.8586 -18.8586 -18.8285 -18.8285 -18.7132 -18.7132 10.2098 10.2098 11.4231 11.4231 11.8285 11.8285 12.0663 12.0663 12.2485 12.2485 12.4241 12.4241 14.2167 14.2167 15.2193 15.2193 15.5568 15.5568 16.4093 16.4093 16.6556 16.6556 k = 0.2857 0.1199 0.0000 ( 1338 PWs) bands (ev): -42.5151 -42.4753 -18.8711 -18.8580 -18.8523 -18.8084 -18.7064 -18.6961 8.7876 11.2267 11.2633 11.3754 11.5222 11.7043 11.9436 12.1956 12.3487 12.5750 12.5892 12.8874 13.6671 14.0346 14.8176 15.1477 15.7379 15.8411 16.2308 16.7616 17.0957 18.0654 k = 0.2857 0.1199 0.0658 ( 1340 PWs) bands (ev): -42.5141 -42.4762 -18.8789 -18.8514 -18.8498 -18.8094 -18.7159 -18.6882 8.8550 11.2022 11.2775 11.3913 11.5341 11.7042 11.9711 12.1152 12.4331 12.4724 12.6765 12.8889 13.5359 14.1433 14.8194 15.1414 15.6550 15.9004 16.2139 16.7668 16.9451 18.2290 k = 0.2857 0.1199 0.1315 ( 1340 PWs) bands (ev): -42.5112 -42.4790 -18.8866 -18.8484 -18.8421 -18.8122 -18.7250 -18.6813 9.0528 11.1889 11.2222 11.4148 11.5848 11.7339 11.9854 12.0718 12.3633 12.4853 12.6519 13.0425 13.3003 14.3218 14.8193 15.1542 15.5447 15.9587 16.1614 16.6757 16.7781 18.5216 k = 0.2857 0.1199 0.1973 ( 1345 PWs) bands (ev): -42.5067 -42.4833 -18.8887 -18.8481 -18.8405 -18.8167 -18.7235 -18.6811 9.3673 11.0364 11.1983 11.3799 11.6663 11.8021 11.9978 12.1281 12.2872 12.4725 12.5005 13.0215 13.3866 14.4443 14.8556 15.2165 15.4637 15.9831 16.0942 16.4826 16.7514 18.0841 k = 0.2857 0.1199 0.2631 ( 1343 PWs) bands (ev): -42.5011 -42.4887 -18.8837 -18.8594 -18.8352 -18.8221 -18.7125 -18.6875 9.7741 10.6870 11.2179 11.3020 11.7883 11.8857 12.0889 12.1631 12.2672 12.2976 12.4898 12.7650 13.7504 14.3538 15.0660 15.2773 15.4251 15.8015 16.2353 16.4483 16.6753 17.2794 k = 0.2857 0.1199-0.3288 ( 1344 PWs) bands (ev): -42.4949 -42.4949 -18.8733 -18.8733 -18.8286 -18.8286 -18.6988 -18.6988 10.2347 10.2347 11.2488 11.2488 11.9011 11.9011 12.1326 12.1326 12.2600 12.2600 12.5617 12.5617 14.0931 14.0931 15.2779 15.2779 15.5167 15.5167 16.4997 16.4997 16.6934 16.6934 k = 0.2857 0.1798 0.0000 ( 1333 PWs) bands (ev): -42.5129 -42.4774 -18.8615 -18.8491 -18.8435 -18.8115 -18.7157 -18.7116 9.0735 10.9936 11.2905 11.3759 11.5465 11.6559 11.9370 12.1716 12.1921 12.5104 12.5515 12.7546 13.9434 14.3864 14.8917 15.1641 15.6027 15.9260 16.1417 16.6006 16.8944 17.3822 k = 0.2857 0.1798 0.0658 ( 1339 PWs) bands (ev): -42.5120 -42.4783 -18.8723 -18.8482 -18.8375 -18.8122 -18.7274 -18.6970 9.1311 10.9682 11.2774 11.3911 11.5496 11.6796 11.9669 12.0680 12.3457 12.4426 12.6180 12.7362 13.8475 14.4390 14.8876 15.1641 15.5379 15.9674 16.1311 16.5666 16.8046 17.5373 k = 0.2857 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.5094 -42.4807 -18.8863 -18.8464 -18.8386 -18.8145 -18.7273 -18.6830 9.2992 10.9217 11.2057 11.3925 11.5783 11.7442 12.0115 12.0722 12.3478 12.4692 12.6339 12.8417 13.6248 14.5099 14.8783 15.2014 15.4443 15.9830 16.1061 16.5096 16.7265 17.7756 k = 0.2857 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.5054 -42.4845 -18.8948 -18.8564 -18.8391 -18.8180 -18.7145 -18.6755 9.5643 10.8533 11.0827 11.3031 11.6626 11.8313 12.0931 12.1461 12.2967 12.4736 12.5465 13.1573 13.3581 14.4461 14.9698 15.2778 15.4040 15.9132 16.1232 16.4925 16.6973 17.8669 k = 0.2857 0.1798 0.2631 ( 1340 PWs) bands (ev): -42.5003 -42.4894 -18.8955 -18.8739 -18.8341 -18.8228 -18.6977 -18.6761 9.9030 10.6323 11.0347 11.1785 11.7986 11.9330 12.1179 12.2381 12.2839 12.3291 12.6145 13.0363 13.5658 14.2301 15.2123 15.3199 15.3916 15.8220 16.2458 16.5236 16.6682 17.3244 k = 0.2857 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.4948 -42.4948 -18.8882 -18.8882 -18.8284 -18.8284 -18.6840 -18.6840 10.2787 10.2787 11.0827 11.0827 11.9338 11.9338 12.1544 12.1544 12.3010 12.3010 12.7860 12.7860 13.9241 13.9241 15.3370 15.3370 15.5643 15.5643 16.5675 16.5675 16.7077 16.7077 k = 0.2857 0.2398 0.0000 ( 1337 PWs) bands (ev): -42.5109 -42.4794 -18.8528 -18.8460 -18.8279 -18.8146 -18.7282 -18.7251 9.4299 10.5804 11.3594 11.3944 11.5187 11.7133 11.8980 12.0922 12.1583 12.4759 12.5106 12.6754 14.1646 14.7461 14.9564 15.1743 15.4658 16.0440 16.0877 16.4064 16.7425 16.8189 k = 0.2857 0.2398 0.0658 ( 1342 PWs) bands (ev): -42.5101 -42.4801 -18.8631 -18.8456 -18.8309 -18.8156 -18.7312 -18.7096 9.4733 10.5785 11.3220 11.4158 11.5152 11.7247 11.9521 12.0299 12.2775 12.4334 12.5539 12.6582 14.0981 14.7492 14.9557 15.1877 15.4160 16.0567 16.0921 16.3403 16.6771 16.9937 k = 0.2857 0.2398 0.1315 ( 1338 PWs) bands (ev): -42.5078 -42.4823 -18.8807 -18.8494 -18.8401 -18.8168 -18.7187 -18.6911 9.6000 10.5829 11.2169 11.3832 11.5466 11.7738 12.0438 12.0851 12.3420 12.4171 12.6036 12.7094 13.9200 14.6422 15.0045 15.2479 15.3749 15.9316 16.1670 16.3406 16.6565 17.1813 k = 0.2857 0.2398 0.1973 ( 1336 PWs) bands (ev): -42.5042 -42.4857 -18.8947 -18.8692 -18.8375 -18.8194 -18.7001 -18.6771 9.7996 10.5994 11.0436 11.2519 11.6513 11.8610 12.1160 12.2271 12.3072 12.4050 12.6030 12.9913 13.6721 14.3829 15.1555 15.2996 15.4345 15.8305 16.2318 16.4264 16.6414 17.2522 k = 0.2857 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.4997 -42.4900 -18.9012 -18.8874 -18.8329 -18.8232 -18.6834 -18.6707 10.0537 10.5537 10.9053 11.0912 11.8005 11.9651 12.1281 12.2355 12.3115 12.3498 12.7771 13.2399 13.4754 14.0707 15.2991 15.3669 15.4926 15.9647 16.2132 16.5460 16.6290 17.0647 k = 0.2857 0.2398-0.3288 ( 1334 PWs) bands (ev): -42.4948 -42.4948 -18.8986 -18.8986 -18.8280 -18.8280 -18.6731 -18.6731 10.3311 10.3311 10.9528 10.9528 11.9571 11.9571 12.1315 12.1315 12.3434 12.3434 13.0349 13.0349 13.7385 13.7385 15.3341 15.3341 15.7996 15.7996 16.5202 16.5202 16.6612 16.6612 k = 0.2857-0.2997 0.0000 ( 1342 PWs) bands (ev): -42.5101 -42.4802 -18.8490 -18.8448 -18.8199 -18.8168 -18.7364 -18.7290 9.6779 10.3026 11.3936 11.4087 11.5038 11.7450 11.8632 12.0693 12.1499 12.4637 12.4953 12.6457 14.2561 14.9825 14.9861 15.1056 15.4030 16.0035 16.2389 16.3868 16.4418 16.6859 k = 0.2857-0.2997 0.0658 ( 1344 PWs) bands (ev): -42.5093 -42.4809 -18.8579 -18.8443 -18.8305 -18.8170 -18.7275 -18.7196 9.7086 10.3187 11.3426 11.4548 11.4741 11.7443 11.9457 12.0141 12.2531 12.4362 12.5237 12.6326 14.1987 14.8955 15.0681 15.1156 15.3630 16.0431 16.1015 16.4232 16.4552 16.7910 k = 0.2857-0.2997 0.1315 ( 1336 PWs) bands (ev): -42.5071 -42.4829 -18.8754 -18.8548 -18.8399 -18.8178 -18.7083 -18.7005 9.7997 10.3678 11.2239 11.3814 11.5302 11.7886 12.0342 12.1233 12.3299 12.3876 12.5937 12.6656 14.0458 14.6670 15.1590 15.1974 15.3734 15.8704 16.1621 16.4814 16.4879 16.9214 k = 0.2857-0.2997 0.1973 ( 1338 PWs) bands (ev): -42.5037 -42.4861 -18.8919 -18.8769 -18.8370 -18.8200 -18.6893 -18.6833 9.9476 10.4438 11.0326 11.2340 11.6459 11.8760 12.1143 12.2806 12.3268 12.3444 12.6354 12.9131 13.8321 14.3200 15.2677 15.2789 15.5614 15.6835 16.3510 16.4931 16.5208 16.9344 k = 0.2857-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4994 -42.4902 -18.9015 -18.8938 -18.8325 -18.8233 -18.6751 -18.6720 10.1427 10.4897 10.8642 11.0587 11.8003 11.9789 12.1541 12.1840 12.3449 12.3511 12.8840 13.1802 13.5987 13.9514 15.2998 15.3615 15.7187 15.8967 16.3881 16.5147 16.5499 16.7925 k = 0.2857-0.2997-0.3288 ( 1332 PWs) bands (ev): -42.4948 -42.4948 -18.9025 -18.9025 -18.8280 -18.8280 -18.6691 -18.6691 10.3577 10.3577 10.8997 10.8997 11.9692 11.9692 12.1150 12.1150 12.3590 12.3590 13.1749 13.1749 13.6254 13.6254 15.3266 15.3266 16.0553 16.0553 16.3079 16.3079 16.6591 16.6591 k = 0.3571 0.0000 0.0000 ( 1350 PWs) bands (ev): -42.5031 -42.4595 -18.9649 -18.9087 -18.8675 -18.8577 -18.6865 -18.6707 9.3610 11.2769 11.4651 11.5264 11.6593 11.8257 11.8777 12.2407 12.4109 12.6787 12.7574 12.8938 13.2185 13.5549 14.6566 15.1068 15.4636 15.5719 16.8459 17.0760 17.3991 19.5842 k = 0.3571 0.0000 0.0658 ( 1352 PWs) bands (ev): -42.5020 -42.4606 -18.9635 -18.9102 -18.8659 -18.8559 -18.6883 -18.6729 9.4168 11.2767 11.4714 11.5389 11.6665 11.7675 11.9767 12.1950 12.4249 12.6169 12.7130 12.8582 13.1512 13.7398 14.6704 15.0571 15.4323 15.6885 16.8430 17.0549 17.2310 19.7020 k = 0.3571 0.0000 0.1315 ( 1346 PWs) bands (ev): -42.4989 -42.4636 -18.9588 -18.9136 -18.8602 -18.8501 -18.6944 -18.6796 9.5805 11.2812 11.4839 11.5578 11.6852 11.7345 12.0713 12.1399 12.3199 12.4343 12.6032 12.9523 13.1273 14.0489 14.7067 15.0073 15.3536 15.9246 16.7817 16.8949 16.9980 19.4113 k = 0.3571 0.0000 0.1973 ( 1341 PWs) bands (ev): -42.4940 -42.4684 -18.9518 -18.9187 -18.8523 -18.8431 -18.7016 -18.6896 9.8421 11.2581 11.4898 11.4998 11.7102 11.7702 11.8920 12.1283 12.2837 12.4186 12.5388 12.7287 13.4597 14.3532 14.7184 15.0112 15.2908 16.1776 16.3795 16.8330 16.9203 18.3902 k = 0.3571 0.0000 0.2631 ( 1342 PWs) bands (ev): -42.4879 -42.4744 -18.9434 -18.9258 -18.8436 -18.8381 -18.7075 -18.6999 10.1854 10.9984 11.4475 11.4830 11.7361 11.7887 11.8931 12.1546 12.2647 12.2977 12.5418 12.5900 13.8390 14.4744 14.7596 15.0314 15.3421 15.8999 16.5201 16.8044 16.8455 17.5557 k = 0.3571 0.0000-0.3288 ( 1346 PWs) bands (ev): -42.4811 -42.4811 -18.9344 -18.9344 -18.8384 -18.8384 -18.7069 -18.7069 10.5865 10.5865 11.4655 11.4655 11.7586 11.7586 12.0820 12.0820 12.2049 12.2049 12.5628 12.5628 14.2061 14.2061 14.9696 14.9696 15.5378 15.5378 16.8014 16.8014 16.9409 16.9409 k = 0.3571 0.0599 0.0000 ( 1351 PWs) bands (ev): -42.5025 -42.4601 -18.9642 -18.9099 -18.8652 -18.8541 -18.6889 -18.6743 9.4065 11.2812 11.4302 11.4982 11.6278 11.8556 11.8747 12.2362 12.3844 12.5811 12.6956 13.0780 13.1204 13.7243 14.6884 15.0460 15.5423 15.5923 16.8238 17.0482 17.3247 19.2832 k = 0.3571 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.5015 -42.4611 -18.9626 -18.9109 -18.8669 -18.8490 -18.6936 -18.6735 9.4587 11.2546 11.4540 11.5237 11.6352 11.7646 11.9785 12.1384 12.4244 12.6062 12.7157 12.9124 13.1520 13.8483 14.7005 14.9981 15.5598 15.6571 16.8227 16.9951 17.1977 19.4264 k = 0.3571 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.4984 -42.4641 -18.9577 -18.9142 -18.8670 -18.8404 -18.7022 -18.6745 9.6121 11.2242 11.4730 11.5537 11.6501 11.6933 11.9513 12.1607 12.4162 12.5241 12.6318 13.0086 13.0809 14.1066 14.7244 14.9665 15.4735 15.8924 16.7191 16.8288 17.0404 19.4572 k = 0.3571 0.0599 0.1973 ( 1339 PWs) bands (ev): -42.4937 -42.4687 -18.9508 -18.9191 -18.8627 -18.8350 -18.7089 -18.6802 9.8567 11.2044 11.3537 11.4749 11.6889 11.7255 11.9308 12.2255 12.3041 12.5110 12.5717 12.7842 13.4347 14.3858 14.7070 15.0278 15.3810 16.1475 16.3297 16.8061 16.9453 18.4238 k = 0.3571 0.0599 0.2631 ( 1342 PWs) bands (ev): -42.4877 -42.4745 -18.9429 -18.9261 -18.8542 -18.8366 -18.7085 -18.6898 10.1771 10.9434 11.2888 11.4067 11.7683 11.8195 11.9572 12.1726 12.2597 12.4479 12.5841 12.6329 13.8277 14.4693 14.7816 15.0898 15.3829 15.8831 16.4920 16.7889 16.8642 17.5652 k = 0.3571 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4811 -42.4811 -18.9340 -18.9340 -18.8444 -18.8444 -18.7006 -18.7006 10.5513 10.5513 11.3396 11.3396 11.8371 11.8371 12.0509 12.0509 12.3111 12.3111 12.6098 12.6098 14.2002 14.2002 15.0158 15.0158 15.5490 15.5490 16.7993 16.7993 16.9332 16.9332 k = 0.3571 0.1199 0.0000 ( 1349 PWs) bands (ev): -42.5010 -42.4616 -18.9611 -18.9122 -18.8583 -18.8440 -18.6958 -18.6850 9.5394 11.2944 11.3273 11.4534 11.5244 11.8623 11.9018 12.2423 12.2728 12.4665 12.7317 12.8884 13.4192 14.0169 14.7739 14.9869 15.4583 15.8453 16.7547 16.9620 17.1369 18.5547 k = 0.3571 0.1199 0.0658 ( 1345 PWs) bands (ev): -42.5000 -42.4626 -18.9595 -18.9131 -18.8653 -18.8363 -18.7047 -18.6772 9.5812 11.1934 11.3722 11.5089 11.5367 11.7673 11.9452 12.1030 12.4261 12.5691 12.7390 12.8101 13.3924 14.0858 14.7811 14.9459 15.5603 15.8167 16.7580 16.8241 17.1207 18.6672 k = 0.3571 0.1199 0.1315 ( 1339 PWs) bands (ev): -42.4971 -42.4653 -18.9551 -18.9159 -18.8722 -18.8296 -18.7128 -18.6702 9.7040 11.1022 11.3618 11.4703 11.5620 11.6960 11.9674 12.1301 12.4874 12.6221 12.6689 12.9766 13.2779 14.2607 14.7522 14.9774 15.6563 15.8487 16.5315 16.7638 17.0518 18.9034 k = 0.3571 0.1199 0.1973 ( 1341 PWs) bands (ev): -42.4927 -42.4696 -18.9491 -18.9203 -18.8739 -18.8327 -18.7111 -18.6697 9.9012 11.0613 11.1428 11.3525 11.6358 11.7334 12.0921 12.1537 12.3896 12.6143 12.6796 13.0607 13.3847 14.4802 14.7060 15.1169 15.5491 16.0773 16.2135 16.7576 16.9581 18.5051 k = 0.3571 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4872 -42.4750 -18.9416 -18.9264 -18.8687 -18.8445 -18.7005 -18.6754 10.1623 10.8098 11.0793 11.2415 11.7647 11.8190 12.0825 12.1515 12.3418 12.6365 12.7254 12.8557 13.8044 14.4706 14.8687 15.2367 15.4803 15.8471 16.4205 16.7607 16.8690 17.5939 k = 0.3571 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4811 -42.4811 -18.9337 -18.9337 -18.8582 -18.8582 -18.6868 -18.6868 10.4724 10.4724 11.1431 11.1431 11.8793 11.8793 12.0326 12.0326 12.5136 12.5136 12.7676 12.7676 14.1931 14.1931 15.1457 15.1457 15.5819 15.5819 16.7588 16.7588 16.9323 16.9323 k = 0.3571 0.1798 0.0000 ( 1340 PWs) bands (ev): -42.4989 -42.4637 -18.9568 -18.9158 -18.8488 -18.8292 -18.7051 -18.6998 9.7472 11.1512 11.3159 11.3750 11.4110 11.8312 11.9672 12.1458 12.2467 12.4254 12.7370 12.7833 13.7091 14.3430 14.8918 14.9884 15.3342 16.1221 16.6526 16.8114 16.9086 17.8558 k = 0.3571 0.1798 0.0658 ( 1342 PWs) bands (ev): -42.4980 -42.4646 -18.9555 -18.9164 -18.8584 -18.8241 -18.7155 -18.6859 9.7715 11.0559 11.2922 11.3723 11.5102 11.8010 11.9262 12.0763 12.4214 12.5148 12.6941 12.7779 13.7109 14.3804 14.8686 14.9792 15.4202 16.0945 16.5936 16.6650 17.0113 17.9223 k = 0.3571 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.4954 -42.4670 -18.9518 -18.9187 -18.8714 -18.8270 -18.7151 -18.6719 9.8465 10.9287 11.2234 11.3203 11.5509 11.7403 12.0346 12.0814 12.5189 12.6247 12.7006 12.8846 13.6813 14.4824 14.7810 15.0858 15.5711 16.0347 16.3264 16.6782 17.0073 18.0729 k = 0.3571 0.1798 0.1973 ( 1339 PWs) bands (ev): -42.4915 -42.4708 -18.9466 -18.9222 -18.8795 -18.8411 -18.7026 -18.6642 9.9755 10.8400 11.0193 11.2131 11.6099 11.7619 12.0820 12.2656 12.3648 12.6952 12.7925 13.1860 13.6148 14.5913 14.7841 15.2762 15.6185 16.0129 16.1499 16.6841 16.9212 18.1814 k = 0.3571 0.1798 0.2631 ( 1342 PWs) bands (ev): -42.4865 -42.4756 -18.9404 -18.9274 -18.8800 -18.8586 -18.6859 -18.6646 10.1602 10.6595 10.9156 11.0818 11.7377 11.8371 12.0376 12.1639 12.5023 12.7325 12.9001 13.1998 13.8208 14.4830 15.0449 15.4459 15.5691 15.8228 16.3508 16.6944 16.8216 17.5933 k = 0.3571 0.1798-0.3288 ( 1346 PWs) bands (ev): -42.4811 -42.4811 -18.9335 -18.9335 -18.8727 -18.8727 -18.6726 -18.6726 10.3955 10.3955 10.9697 10.9697 11.8748 11.8748 12.0066 12.0066 12.6779 12.6779 13.0309 13.0309 14.1942 14.1942 15.3560 15.3560 15.6343 15.6343 16.6706 16.6706 16.9158 16.9158 k = 0.3571 0.2398 0.0000 ( 1344 PWs) bands (ev): -42.4969 -42.4656 -18.9530 -18.9192 -18.8400 -18.8139 -18.7163 -18.7143 9.9973 10.8820 11.2986 11.3395 11.3736 11.7839 12.0420 12.0787 12.2258 12.4024 12.6675 12.8024 13.9420 14.6549 14.9947 15.0081 15.2109 16.3382 16.6175 16.6271 16.7192 17.3021 k = 0.3571 0.2398 0.0658 ( 1340 PWs) bands (ev): -42.4961 -42.4664 -18.9517 -18.9197 -18.8491 -18.8180 -18.7193 -18.6982 9.9979 10.8245 11.2544 11.2835 11.4957 11.8342 11.9262 12.0367 12.3912 12.4933 12.6342 12.8079 13.9763 14.6910 14.9199 15.0585 15.2634 16.2997 16.4276 16.6169 16.8838 17.3164 k = 0.3571 0.2398 0.1315 ( 1343 PWs) bands (ev): -42.4939 -42.4685 -18.9488 -18.9214 -18.8657 -18.8336 -18.7073 -18.6798 10.0125 10.7253 11.1448 11.2245 11.5431 11.7973 11.9781 12.1310 12.5030 12.6293 12.6817 12.8676 14.0486 14.7094 14.8427 15.2020 15.3886 16.0819 16.3634 16.6124 16.9203 17.3873 k = 0.3571 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.4903 -42.4719 -18.9443 -18.9242 -18.8791 -18.8540 -18.6884 -18.6660 10.0665 10.6498 10.9473 11.1098 11.5959 11.7949 12.0299 12.2548 12.4931 12.7269 12.8792 13.0912 14.0572 14.5936 14.9945 15.4380 15.5201 15.9053 16.3117 16.6208 16.8266 17.4449 k = 0.3571 0.2398 0.2631 ( 1339 PWs) bands (ev): -42.4859 -42.4762 -18.9389 -18.9282 -18.8853 -18.8717 -18.6722 -18.6596 10.1776 10.5394 10.8123 10.9684 11.7204 11.8486 12.0126 12.1097 12.6695 12.7819 13.0761 13.3227 14.0127 14.4513 15.3006 15.5832 15.6773 15.8444 16.3526 16.5932 16.7195 17.2839 k = 0.3571 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.4810 -42.4810 -18.9332 -18.9332 -18.8827 -18.8827 -18.6618 -18.6618 10.3469 10.3469 10.8503 10.8503 11.8706 11.8706 11.9720 11.9720 12.7736 12.7736 13.2744 13.2744 14.1950 14.1950 15.6225 15.6225 15.7189 15.7189 16.5784 16.5784 16.7791 16.7791 k = 0.3571-0.2997 0.0000 ( 1346 PWs) bands (ev): -42.4961 -42.4664 -18.9513 -18.9204 -18.8363 -18.8070 -18.7241 -18.7182 10.1566 10.7074 11.2785 11.3509 11.3585 11.7590 12.0612 12.0842 12.2031 12.3943 12.6436 12.8116 14.0388 14.8298 14.9843 15.0279 15.1629 16.3870 16.4963 16.6433 16.8165 16.9564 k = 0.3571-0.2997 0.0658 ( 1342 PWs) bands (ev): -42.4954 -42.4671 -18.9501 -18.9212 -18.8442 -18.8176 -18.7154 -18.7079 10.1377 10.6746 11.2444 11.2570 11.4893 11.8463 11.9297 12.0164 12.3749 12.4917 12.6152 12.8194 14.0863 14.8838 14.9733 15.0082 15.1942 16.2727 16.4220 16.7547 16.8674 16.9238 k = 0.3571-0.2997 0.1315 ( 1342 PWs) bands (ev): -42.4932 -42.4692 -18.9473 -18.9225 -18.8606 -18.8397 -18.6970 -18.6892 10.1092 10.6127 11.1213 11.1912 11.5404 11.8415 11.9258 12.1537 12.5271 12.5729 12.6894 12.8750 14.2141 14.7450 15.0737 15.0782 15.3367 16.0133 16.5034 16.6742 16.8326 17.0329 k = 0.3571-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4898 -42.4724 -18.9433 -18.9251 -18.8761 -18.8616 -18.6781 -18.6717 10.1184 10.5647 10.9226 11.0722 11.5913 11.8123 12.0074 12.2284 12.6055 12.6971 12.9172 13.0371 14.3598 14.4704 15.1952 15.3216 15.5759 15.8353 16.5602 16.5688 16.7152 17.0763 k = 0.3571-0.2997 0.2631 ( 1340 PWs) bands (ev): -42.4856 -42.4765 -18.9384 -18.9287 -18.8857 -18.8783 -18.6641 -18.6606 10.1922 10.4895 10.7770 10.9273 11.7142 11.8536 12.0098 12.0783 12.7537 12.7769 13.2244 13.2431 14.2291 14.3462 15.4894 15.5431 15.7596 15.8890 16.4836 16.4895 16.6612 16.9317 k = 0.3571-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4810 -42.4810 -18.9332 -18.9332 -18.8863 -18.8863 -18.6580 -18.6580 10.3313 10.3313 10.8072 10.8072 11.8714 11.8714 11.9549 11.9549 12.8054 12.8054 13.3725 13.3725 14.1925 14.1925 15.6890 15.6890 15.8964 15.8964 16.5144 16.5144 16.6239 16.6239 k = 0.4286 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.4933 -42.4501 -19.0392 -18.9800 -18.8592 -18.8487 -18.6790 -18.6624 10.1663 11.3422 11.3972 11.5595 11.6006 11.8259 11.9686 12.1648 12.3685 12.6888 12.7177 13.0130 13.2007 13.5275 14.5870 14.7988 15.2365 15.3972 16.8315 17.4291 17.7301 19.2808 k = 0.4286 0.0000 0.0658 ( 1346 PWs) bands (ev): -42.4922 -42.4511 -19.0379 -18.9809 -18.8563 -18.8463 -18.6805 -18.6649 10.1911 11.3082 11.3845 11.5714 11.5934 11.8223 12.0518 12.1403 12.4266 12.5539 12.7834 12.9939 13.1151 13.6526 14.6250 14.7371 15.1936 15.5806 16.8299 17.2677 17.7054 19.3193 k = 0.4286 0.0000 0.1315 ( 1343 PWs) bands (ev): -42.4891 -42.4542 -19.0328 -18.9842 -18.8508 -18.8408 -18.6861 -18.6717 10.2668 11.2480 11.3531 11.5590 11.6093 11.8333 12.1135 12.1676 12.2768 12.5685 12.8570 12.9679 13.0705 13.8786 14.6583 14.7114 15.0862 15.9800 16.8292 16.8787 17.6253 19.3834 k = 0.4286 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.4843 -42.4589 -19.0249 -18.9895 -18.8424 -18.8340 -18.6929 -18.6813 10.3962 11.1991 11.3163 11.4359 11.6758 11.8313 12.0808 12.1114 12.2295 12.5614 12.7972 13.0065 13.3894 14.1122 14.6123 14.7027 15.0466 16.3715 16.4844 16.8612 17.4830 19.1058 k = 0.4286 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.4782 -42.4649 -19.0158 -18.9970 -18.8339 -18.8292 -18.6987 -18.6913 10.5826 11.0838 11.2721 11.2826 11.7703 11.8880 12.0143 12.1203 12.1921 12.3121 12.9670 13.0742 13.7642 14.3341 14.4770 14.5803 15.2069 15.9113 16.8485 17.0739 17.2766 18.2568 k = 0.4286 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4715 -42.4715 -19.0062 -19.0062 -18.8290 -18.8290 -18.6981 -18.6981 10.8237 10.8237 11.2586 11.2586 11.8802 11.8802 12.0574 12.0574 12.1782 12.1782 13.0719 13.0719 14.1358 14.1358 14.5118 14.5118 15.4977 15.4977 17.0444 17.0444 17.6013 17.6013 k = 0.4286 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.4927 -42.4506 -19.0386 -18.9807 -18.8562 -18.8443 -18.6813 -18.6663 10.1855 11.3384 11.3553 11.5225 11.5420 11.8172 12.0350 12.1867 12.3539 12.4757 12.9801 13.0374 13.0949 13.6572 14.6275 14.7261 15.3699 15.4294 16.8170 17.3586 17.6693 19.2370 k = 0.4286 0.0599 0.0658 ( 1351 PWs) bands (ev): -42.4917 -42.4517 -19.0369 -18.9818 -18.8576 -18.8397 -18.6857 -18.6658 10.2037 11.2427 11.4005 11.5462 11.5516 11.8251 12.0227 12.0904 12.4499 12.6051 12.8105 13.0386 13.1157 13.7357 14.6520 14.6822 15.3826 15.5447 16.8143 17.1798 17.6843 19.2730 k = 0.4286 0.0599 0.1315 ( 1343 PWs) bands (ev): -42.4886 -42.4546 -19.0319 -18.9848 -18.8573 -18.8314 -18.6940 -18.6668 10.2616 11.1553 11.3777 11.5586 11.5884 11.7746 11.9090 12.1588 12.5153 12.6495 12.8921 13.0011 13.0773 13.9250 14.5789 14.7784 15.2581 15.9327 16.7912 16.8229 17.6421 19.3317 k = 0.4286 0.0599 0.1973 ( 1340 PWs) bands (ev): -42.4839 -42.4592 -19.0242 -18.9900 -18.8529 -18.8262 -18.7002 -18.6722 10.3672 11.1126 11.2809 11.4073 11.6588 11.7150 11.9911 12.1788 12.3691 12.6884 12.8747 13.0693 13.3854 14.1462 14.5180 14.8590 15.1364 16.3298 16.4315 16.8371 17.5150 19.0552 k = 0.4286 0.0599 0.2631 ( 1337 PWs) bands (ev): -42.4780 -42.4650 -19.0153 -18.9972 -18.8444 -18.8273 -18.6996 -18.6814 10.5293 11.0211 11.1356 11.2598 11.7634 11.8253 12.0052 12.1274 12.2796 12.4818 13.0546 13.1499 13.7835 14.3648 14.4353 14.7301 15.2438 15.8999 16.8308 17.0181 17.3080 18.1948 k = 0.4286 0.0599-0.3288 ( 1342 PWs) bands (ev): -42.4715 -42.4715 -19.0058 -19.0058 -18.8349 -18.8349 -18.6923 -18.6923 10.7523 10.7523 11.1792 11.1792 11.8876 11.8876 11.9925 11.9925 12.3383 12.3383 13.1563 13.1563 14.1576 14.1576 14.5773 14.5773 15.5118 15.5118 17.0518 17.0518 17.5387 17.5387 k = 0.4286 0.1199 0.0000 ( 1356 PWs) bands (ev): -42.4912 -42.4522 -19.0355 -18.9833 -18.8493 -18.8346 -18.6883 -18.6772 10.2412 11.2561 11.3288 11.4003 11.4491 11.7897 12.1800 12.2284 12.2544 12.3808 12.8943 13.1510 13.2757 13.8854 14.6419 14.7372 15.2913 15.8405 16.7757 17.1704 17.4823 19.0327 k = 0.4286 0.1199 0.0658 ( 1350 PWs) bands (ev): -42.4902 -42.4531 -19.0338 -18.9842 -18.8557 -18.8271 -18.6968 -18.6696 10.2410 11.1429 11.3319 11.4118 11.5464 11.8316 11.9199 12.1132 12.5291 12.5828 12.7709 13.1405 13.3189 13.9223 14.5916 14.7808 15.4397 15.7881 16.7640 16.9787 17.5801 19.0526 k = 0.4286 0.1199 0.1315 ( 1345 PWs) bands (ev): -42.4874 -42.4558 -19.0292 -18.9868 -18.8622 -18.8206 -18.7046 -18.6628 10.2523 11.0178 11.3011 11.4231 11.5692 11.6627 11.9745 12.0942 12.5543 12.8066 12.9374 13.1453 13.2876 14.0513 14.5192 14.9004 15.6233 15.8052 16.5972 16.7925 17.6350 19.0889 k = 0.4286 0.1199 0.1973 ( 1344 PWs) bands (ev): -42.4830 -42.4601 -19.0224 -18.9916 -18.8635 -18.8235 -18.7026 -18.6620 10.3011 10.9544 11.1366 11.2611 11.5946 11.6742 12.0899 12.1647 12.3524 12.9831 13.0988 13.2754 13.4136 14.2511 14.4818 15.0469 15.4066 16.2237 16.2763 16.7870 17.5646 18.9149 k = 0.4286 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4775 -42.4655 -19.0141 -18.9980 -18.8584 -18.8348 -18.6918 -18.6674 10.4101 10.8424 10.9624 11.1286 11.7299 11.7638 12.0173 12.1174 12.3993 12.8201 13.2700 13.3505 13.8567 14.4297 14.5159 15.0010 15.3489 15.8718 16.7490 16.8907 17.3682 18.0253 k = 0.4286 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4715 -42.4715 -19.0056 -19.0056 -18.8481 -18.8481 -18.6785 -18.6785 10.5917 10.5917 11.0238 11.0238 11.8664 11.8664 11.9384 11.9384 12.6096 12.6096 13.3624 13.3624 14.2427 14.2427 14.7628 14.7628 15.5544 15.5544 17.0604 17.0604 17.3607 17.3607 k = 0.4286 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4891 -42.4542 -19.0310 -18.9867 -18.8395 -18.8196 -18.6977 -18.6918 10.3266 11.1328 11.2455 11.3187 11.3756 11.7453 12.1450 12.2399 12.3590 12.3614 12.7569 13.2545 13.5619 14.1279 14.6002 14.8901 15.1751 16.3311 16.7281 16.9319 17.1872 18.5883 k = 0.4286 0.1798 0.0658 ( 1352 PWs) bands (ev): -42.4882 -42.4550 -19.0296 -18.9879 -18.8491 -18.8151 -18.7074 -18.6782 10.2994 11.0385 11.2266 11.2443 11.5499 11.8351 11.8802 12.1154 12.4947 12.6680 12.6943 13.2559 13.6341 14.1495 14.5699 14.9319 15.2779 16.2725 16.6532 16.7940 17.3548 18.5550 k = 0.4286 0.1798 0.1315 ( 1349 PWs) bands (ev): -42.4857 -42.4575 -19.0257 -18.9899 -18.8615 -18.8179 -18.7070 -18.6644 10.2502 10.8916 11.1567 11.2120 11.5781 11.7042 12.0025 12.0721 12.4937 12.8398 13.0013 13.2913 13.7384 14.2365 14.5237 15.0573 15.5456 16.1088 16.3894 16.7505 17.5196 18.4676 k = 0.4286 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.4818 -42.4613 -19.0196 -18.9937 -18.8688 -18.8314 -18.6942 -18.6565 10.2349 10.7988 10.9511 11.1130 11.5674 11.6989 12.0115 12.2557 12.3806 13.0382 13.3169 13.4305 13.8127 14.4305 14.5336 15.2391 15.6836 16.0843 16.1312 16.7308 17.5401 18.3631 k = 0.4286 0.1798 0.2631 ( 1338 PWs) bands (ev): -42.4769 -42.4661 -19.0123 -18.9989 -18.8692 -18.8482 -18.6778 -18.6568 10.2899 10.6434 10.8257 10.9859 11.6842 11.7568 11.9596 12.0755 12.6185 13.0249 13.4832 13.5852 14.0641 14.5758 14.7330 15.3110 15.4971 15.8554 16.5430 16.7802 17.3653 17.8051 k = 0.4286 0.1798-0.3288 ( 1342 PWs) bands (ev): -42.4715 -42.4715 -19.0054 -19.0054 -18.8620 -18.8620 -18.6643 -18.6643 10.4293 10.4293 10.8773 10.8773 11.8311 11.8311 11.8933 11.8933 12.8568 12.8568 13.5717 13.5717 14.4326 14.4326 15.0411 15.0411 15.6310 15.6310 17.0039 17.0039 17.1214 17.1214 k = 0.4286 0.2398 0.0000 ( 1355 PWs) bands (ev): -42.4872 -42.4561 -19.0269 -18.9908 -18.8311 -18.8047 -18.7079 -18.7067 10.4234 10.9942 11.1487 11.3119 11.3226 11.7011 12.0880 12.2476 12.3462 12.4948 12.6801 13.3340 13.7909 14.3253 14.5927 15.0165 15.0721 16.5977 16.7218 16.8572 16.9582 18.0971 k = 0.4286 0.2398 0.0658 ( 1349 PWs) bands (ev): -42.4865 -42.4568 -19.0255 -18.9910 -18.8398 -18.8087 -18.7112 -18.6907 10.3660 10.9282 11.1338 11.1529 11.5448 11.8314 11.8710 12.1064 12.4330 12.6408 12.7892 13.3435 13.9058 14.3599 14.5976 15.0266 15.1323 16.4474 16.6492 16.8814 17.0773 18.0377 k = 0.4286 0.2398 0.1315 ( 1348 PWs) bands (ev): -42.4842 -42.4590 -19.0220 -18.9928 -18.8557 -18.8241 -18.6991 -18.6721 10.2588 10.7913 11.0324 11.0999 11.5818 11.7635 11.9199 12.1101 12.5075 12.7251 13.1443 13.3935 14.1578 14.4638 14.5739 15.1383 15.3028 16.1776 16.5943 16.7593 17.2799 17.8668 k = 0.4286 0.2398 0.1973 ( 1338 PWs) bands (ev): -42.4807 -42.4624 -19.0167 -18.9957 -18.8683 -18.8438 -18.6804 -18.6581 10.1915 10.6770 10.8385 11.0074 11.5559 11.7301 11.9414 12.1820 12.5949 12.9463 13.4673 13.5044 14.3283 14.6316 14.6684 15.3895 15.5122 15.9769 16.3889 16.7017 17.3713 17.6336 k = 0.4286 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.4763 -42.4667 -19.0106 -18.9995 -18.8742 -18.8611 -18.6639 -18.6517 10.2074 10.5062 10.7368 10.8824 11.6582 11.7547 11.9158 12.0225 12.8324 13.0665 13.5982 13.7063 14.3932 14.8157 15.0312 15.4649 15.6613 15.9111 16.3733 16.6771 17.1707 17.4212 k = 0.4286 0.2398-0.3288 ( 1338 PWs) bands (ev): -42.4715 -42.4715 -19.0050 -19.0050 -18.8719 -18.8719 -18.6540 -18.6540 10.3175 10.3175 10.7776 10.7776 11.8077 11.8077 11.8551 11.8551 13.0168 13.0168 13.6918 13.6918 14.6768 14.6768 15.3613 15.3613 15.7568 15.7568 16.7672 16.7672 16.9214 16.9214 k = 0.4286-0.2997 0.0000 ( 1354 PWs) bands (ev): -42.4865 -42.4568 -19.0250 -18.9923 -18.8274 -18.7976 -18.7153 -18.7105 10.4762 10.9214 11.1189 11.3033 11.3097 11.6826 12.0714 12.2484 12.3417 12.5431 12.6601 13.3637 13.8854 14.4022 14.5977 14.9854 15.1097 16.6347 16.6351 16.6924 17.2928 17.7557 k = 0.4286-0.2997 0.0658 ( 1348 PWs) bands (ev): -42.4857 -42.4576 -19.0238 -18.9923 -18.8348 -18.8081 -18.7071 -18.7006 10.4009 10.8712 11.1048 11.1230 11.5416 11.8282 11.8698 12.1015 12.4124 12.6228 12.8370 13.3760 14.0196 14.4489 14.6474 14.9352 15.1638 16.3784 16.6508 16.9210 17.2204 17.6986 k = 0.4286-0.2997 0.1315 ( 1348 PWs) bands (ev): -42.4836 -42.4596 -19.0203 -18.9940 -18.8508 -18.8300 -18.6891 -18.6814 10.2656 10.7491 10.9924 11.0611 11.5829 11.8174 11.8563 12.1122 12.5998 12.6071 13.1965 13.4301 14.3315 14.5730 14.8128 14.8329 15.3174 16.1135 16.6866 16.9752 17.1321 17.5335 k = 0.4286-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4802 -42.4628 -19.0155 -18.9966 -18.8654 -18.8516 -18.6703 -18.6638 10.1772 10.6300 10.8040 10.9685 11.5522 11.7477 11.9097 12.1535 12.7798 12.8001 13.5224 13.5262 14.5530 14.7273 14.9750 15.0463 15.5541 15.9243 16.6701 16.7053 17.1832 17.2866 k = 0.4286-0.2997 0.2631 ( 1324 PWs) bands (ev): -42.4761 -42.4669 -19.0098 -18.9999 -18.8743 -18.8670 -18.6562 -18.6523 10.1787 10.4581 10.7064 10.8449 11.6495 11.7552 11.8996 12.0005 12.9772 13.0057 13.6295 13.7390 14.5367 15.0569 15.2138 15.3078 15.8257 15.9093 16.4220 16.6468 16.9962 17.0636 k = 0.4286-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4715 -42.4715 -19.0049 -19.0049 -18.8753 -18.8753 -18.6503 -18.6503 10.2783 10.2783 10.7426 10.7426 11.8006 11.8006 11.8394 11.8394 13.0709 13.0709 13.7268 13.7268 14.7886 14.7886 15.5439 15.5439 15.8580 15.8580 16.6230 16.6230 16.7562 16.7562 k =-0.5000 0.0000 0.0000 ( 1354 PWs) bands (ev): -42.4897 -42.4467 -19.0660 -19.0043 -18.8561 -18.8447 -18.6765 -18.6597 10.6223 11.2626 11.3649 11.5230 11.6235 11.8002 11.9894 12.1157 12.3550 12.6615 12.6703 13.1993 13.3093 13.3918 14.5593 14.6113 15.1515 15.3388 16.8250 17.4398 17.9998 19.2121 k =-0.5000 0.0000 0.0658 ( 1334 PWs) bands (ev): -42.4887 -42.4478 -19.0642 -19.0057 -18.8530 -18.8421 -18.6776 -18.6615 10.6190 11.2492 11.3166 11.5382 11.5946 11.8357 12.0622 12.1029 12.4391 12.5210 12.7487 13.1133 13.2865 13.5006 14.5519 14.6169 15.1002 15.5346 16.8233 17.2819 17.9699 19.2322 k =-0.5000 0.0000 0.1315 ( 1334 PWs) bands (ev): -42.4856 -42.4508 -19.0590 -19.0093 -18.8471 -18.8369 -18.6832 -18.6684 10.6224 11.2191 11.2317 11.5327 11.5849 11.8802 12.0927 12.1740 12.2694 12.6675 12.8018 13.0709 13.2784 13.6869 14.4545 14.7546 14.9518 15.9890 16.8203 16.8944 17.8705 19.2451 k =-0.5000 0.0000 0.1973 ( 1340 PWs) bands (ev): -42.4808 -42.4555 -19.0510 -19.0153 -18.8391 -18.8308 -18.6899 -18.6784 10.6609 11.1691 11.1868 11.3974 11.6653 11.8675 12.1013 12.1628 12.1786 12.5579 12.9835 13.3615 13.3775 13.8551 14.3583 14.7202 14.9336 16.4072 16.5840 16.8445 17.6826 19.2293 k =-0.5000 0.0000 0.2631 ( 1336 PWs) bands (ev): -42.4748 -42.4615 -19.0413 -19.0227 -18.8307 -18.8257 -18.6950 -18.6884 10.7606 11.1410 11.1592 11.1642 11.7796 11.9052 12.0701 12.1043 12.1744 12.3194 13.3021 13.5122 13.7108 13.9947 14.2587 14.4300 15.1593 15.9148 16.9298 17.2825 17.4050 18.9453 k =-0.5000 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4681 -42.4681 -19.0317 -19.0317 -18.8259 -18.8259 -18.6949 -18.6949 10.9323 10.9323 11.1411 11.1411 11.9212 11.9212 12.0223 12.0223 12.2033 12.2033 13.5071 13.5071 14.0314 14.0314 14.1825 14.1825 15.4823 15.4823 17.1184 17.1184 18.0708 18.0708 k =-0.5000 0.0599 0.0000 ( 1354 PWs) bands (ev): -42.4892 -42.4473 -19.0651 -19.0057 -18.8532 -18.8411 -18.6786 -18.6637 10.6160 11.2328 11.3578 11.4879 11.5388 11.7893 12.0765 12.1581 12.3517 12.4356 12.9377 13.0739 13.3688 13.5009 14.5431 14.6036 15.3127 15.3556 16.8121 17.3706 17.9126 19.2009 k =-0.5000 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.4882 -42.4483 -19.0633 -19.0067 -18.8543 -18.8363 -18.6829 -18.6630 10.6027 11.1719 11.3589 11.5161 11.5418 11.8258 12.0088 12.0863 12.4814 12.5876 12.7772 13.1098 13.3501 13.5590 14.4870 14.6595 15.3013 15.4967 16.8088 17.2010 17.9288 19.2057 k =-0.5000 0.0599 0.1315 ( 1346 PWs) bands (ev): -42.4851 -42.4512 -19.0580 -19.0101 -18.8537 -18.8283 -18.6914 -18.6640 10.5827 11.0906 11.3150 11.5422 11.5693 11.7631 11.9195 12.1449 12.5361 12.7621 12.8432 13.0567 13.3550 13.7136 14.3912 14.7986 15.1438 15.9365 16.7806 16.8470 17.8880 19.1987 k =-0.5000 0.0599 0.1973 ( 1344 PWs) bands (ev): -42.4805 -42.4558 -19.0502 -19.0158 -18.8492 -18.8231 -18.6973 -18.6691 10.5958 11.0478 11.2375 11.3603 11.6500 11.7010 12.0300 12.1469 12.3932 12.6836 13.1033 13.3565 13.4725 13.8684 14.2967 14.8972 14.9756 16.3643 16.5200 16.8302 17.7260 19.1644 k =-0.5000 0.0599 0.2631 ( 1334 PWs) bands (ev): -42.4746 -42.4616 -19.0409 -19.0229 -18.8408 -18.8238 -18.6964 -18.6781 10.6747 11.0500 11.0730 11.1567 11.7645 11.8085 12.0477 12.0870 12.2990 12.4961 13.4351 13.6297 13.7354 14.0041 14.2035 14.5848 15.1914 15.9049 16.9176 17.2073 17.4390 18.8280 k =-0.5000 0.0599-0.3288 ( 1348 PWs) bands (ev): -42.4681 -42.4681 -19.0316 -19.0316 -18.8317 -18.8317 -18.6893 -18.6893 10.8346 10.8346 11.0900 11.0900 11.9045 11.9045 11.9648 11.9648 12.3624 12.3624 13.6409 13.6409 14.0199 14.0199 14.2627 14.2627 15.4954 15.4954 17.1243 17.1243 17.9797 17.9797 k =-0.5000 0.1199 0.0000 ( 1346 PWs) bands (ev): -42.4877 -42.4488 -19.0621 -19.0081 -18.8457 -18.8307 -18.6851 -18.6743 10.6014 11.1699 11.3394 11.3612 11.4142 11.7573 12.2239 12.2623 12.2872 12.3432 12.8967 13.2296 13.5208 13.6608 14.4406 14.7232 15.2365 15.8213 16.7778 17.1841 17.6612 19.1744 k =-0.5000 0.1199 0.0658 ( 1354 PWs) bands (ev): -42.4867 -42.4497 -19.0605 -19.0093 -18.8522 -18.8239 -18.6940 -18.6671 10.5631 11.0837 11.3066 11.3760 11.5250 11.8132 11.9264 12.1145 12.5671 12.6270 12.7635 13.2971 13.5152 13.6780 14.3971 14.7799 15.3863 15.7600 16.7632 17.0075 17.7672 19.1442 k =-0.5000 0.1199 0.1315 ( 1350 PWs) bands (ev): -42.4839 -42.4524 -19.0556 -19.0121 -18.8587 -18.8175 -18.7017 -18.6601 10.4914 10.9694 11.2687 11.3934 11.5910 11.6007 11.9932 12.0744 12.5349 12.9494 13.0025 13.2588 13.5553 13.7769 14.3129 14.9201 15.5633 15.7913 16.6086 16.8092 17.8721 19.0599 k =-0.5000 0.1199 0.1973 ( 1338 PWs) bands (ev): -42.4796 -42.4567 -19.0481 -19.0166 -18.8596 -18.8203 -18.6995 -18.6590 10.4552 10.9096 11.1561 11.1813 11.5770 11.6487 12.0722 12.1864 12.3361 13.0461 13.4093 13.4207 13.7198 13.9056 14.2282 15.0924 15.2777 16.2521 16.3362 16.7963 17.8195 18.9396 k =-0.5000 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.4741 -42.4621 -19.0397 -19.0234 -18.8548 -18.8314 -18.6888 -18.6642 10.4959 10.8574 10.9125 11.0681 11.7148 11.7413 11.9932 12.1030 12.4246 12.8533 13.7831 13.8150 13.9351 14.0408 14.1778 14.9005 15.2813 15.8753 16.8801 16.9906 17.5259 18.4981 k =-0.5000 0.1199-0.3288 ( 1348 PWs) bands (ev): -42.4681 -42.4681 -19.0312 -19.0312 -18.8447 -18.8447 -18.6759 -18.6759 10.6302 10.6302 10.9703 10.9703 11.8668 11.8668 11.8977 11.8977 12.6410 12.6410 13.9927 13.9927 14.0087 14.0087 14.4765 14.4765 15.5324 15.5324 17.1314 17.1314 17.7196 17.7196 k =-0.5000 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4856 -42.4508 -19.0575 -19.0121 -18.8365 -18.8160 -18.6949 -18.6885 10.5885 11.1095 11.1770 11.3172 11.3404 11.7114 12.1517 12.2637 12.3331 12.5470 12.7585 13.5120 13.7021 13.8226 14.3424 14.8898 15.1225 16.4219 16.7292 16.9413 17.3016 19.1504 k =-0.5000 0.1798 0.0658 ( 1348 PWs) bands (ev): -42.4848 -42.4517 -19.0561 -19.0127 -18.8456 -18.8115 -18.7046 -18.6752 10.5208 11.0275 11.1765 11.1992 11.5461 11.8107 11.8920 12.1188 12.4946 12.6967 12.8547 13.6084 13.7172 13.8144 14.3275 14.9453 15.2154 16.3508 16.6560 16.8222 17.4652 19.0818 k =-0.5000 0.1798 0.1315 ( 1350 PWs) bands (ev): -42.4823 -42.4541 -19.0517 -19.0152 -18.8580 -18.8146 -18.7039 -18.6616 10.3968 10.8852 11.1286 11.1524 11.5982 11.6674 11.9879 12.0749 12.4709 12.8620 13.3094 13.7190 13.8086 13.8503 14.2738 15.0867 15.5038 16.1512 16.3953 16.7725 17.6881 18.8711 k =-0.5000 0.1798 0.1973 ( 1334 PWs) bands (ev): -42.4784 -42.4579 -19.0452 -19.0186 -18.8650 -18.8278 -18.6912 -18.6536 10.3161 10.8005 10.9119 11.0668 11.5513 11.6736 11.9850 12.2318 12.4028 13.0902 13.7770 13.7986 13.9994 14.0363 14.1931 15.2616 15.6922 16.1095 16.1119 16.7538 17.8436 18.4792 k =-0.5000 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.4735 -42.4627 -19.0379 -19.0239 -18.8653 -18.8446 -18.6750 -18.6539 10.3237 10.6411 10.7884 10.9471 11.6641 11.7267 11.9303 12.0452 12.6515 13.0765 13.9059 14.0872 14.2389 14.3259 14.3310 15.2949 15.4221 15.8350 16.6716 16.8103 17.6319 18.0230 k =-0.5000 0.1798-0.3288 ( 1328 PWs) bands (ev): -42.4681 -42.4681 -19.0305 -19.0305 -18.8581 -18.8581 -18.6609 -18.6609 10.4339 10.4339 10.8430 10.8430 11.8271 11.8271 11.8407 11.8407 12.8958 12.8958 14.0042 14.0042 14.4593 14.4593 14.7983 14.7983 15.5924 15.5924 17.1021 17.1021 17.3355 17.3355 k =-0.5000 0.2398 0.0000 ( 1356 PWs) bands (ev): -42.4838 -42.4527 -19.0533 -19.0160 -18.8277 -18.8013 -18.7049 -18.7040 10.5854 11.0375 11.0688 11.2890 11.2998 11.6708 12.0947 12.2787 12.3251 12.6779 12.7754 13.7377 13.8424 13.9761 14.2375 15.0045 15.0485 16.6940 16.7255 16.9576 17.0827 18.8167 k =-0.5000 0.2398 0.0658 ( 1358 PWs) bands (ev): -42.4830 -42.4534 -19.0519 -19.0168 -18.8368 -18.8055 -18.7083 -18.6877 10.4929 11.0109 11.0273 11.1035 11.5532 11.8127 11.8703 12.1140 12.4415 12.6480 13.0742 13.8280 13.8813 13.9949 14.2792 15.0178 15.1014 16.4899 16.7448 16.9990 17.1301 18.7341 k =-0.5000 0.2398 0.1315 ( 1352 PWs) bands (ev): -42.4807 -42.4556 -19.0481 -19.0184 -18.8521 -18.8207 -18.6962 -18.6692 10.3308 10.8429 10.9559 11.0543 11.6034 11.7313 11.9042 12.0989 12.5050 12.7450 13.5807 13.9019 14.0308 14.0869 14.3637 15.1648 15.2447 16.2211 16.7493 16.7561 17.3475 18.4781 k =-0.5000 0.2398 0.1973 ( 1342 PWs) bands (ev): -42.4773 -42.4590 -19.0424 -19.0213 -18.8645 -18.8404 -18.6777 -18.6554 10.2206 10.7357 10.7474 10.9705 11.5411 11.7049 11.9090 12.1542 12.6215 12.9810 13.9168 14.1331 14.1670 14.3322 14.4200 15.4413 15.5387 15.9800 16.4092 16.7328 17.5081 18.0542 k =-0.5000 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.4729 -42.4633 -19.0361 -19.0249 -18.8702 -18.8574 -18.6614 -18.6488 10.2069 10.4939 10.7073 10.8524 11.6355 11.7210 11.8801 11.9921 12.8668 13.1195 13.9425 14.0985 14.6288 14.6956 14.7198 15.6130 15.6241 15.7996 16.3920 16.7226 17.4568 17.5142 k =-0.5000 0.2398-0.3288 ( 1320 PWs) bands (ev): -42.4681 -42.4681 -19.0300 -19.0300 -18.8676 -18.8676 -18.6507 -18.6507 10.3010 10.3010 10.7523 10.7523 11.7980 11.7980 11.8010 11.8010 13.0626 13.0626 14.0031 14.0031 14.8938 14.8938 15.1614 15.1614 15.6915 15.6915 16.9250 16.9250 16.9595 16.9595 k =-0.5000-0.2997 0.0000 ( 1364 PWs) bands (ev): -42.4830 -42.4534 -19.0518 -19.0179 -18.8240 -18.7941 -18.7123 -18.7081 10.5870 10.9838 11.0546 11.2708 11.2933 11.6546 12.0775 12.2815 12.3221 12.6522 12.8707 13.8301 13.8930 14.0988 14.1326 14.9489 15.1184 16.6349 16.7316 16.7652 17.5445 18.3312 k =-0.5000-0.2997 0.0658 ( 1364 PWs) bands (ev): -42.4823 -42.4541 -19.0498 -19.0187 -18.8320 -18.8052 -18.7041 -18.6980 10.4842 10.9723 11.0274 11.0479 11.5541 11.8155 11.8597 12.1112 12.4251 12.6299 13.1685 13.8872 13.9437 14.1094 14.2712 14.9076 15.1694 16.4128 16.7399 16.9648 17.4449 18.2601 k =-0.5000-0.2997 0.1315 ( 1352 PWs) bands (ev): -42.4801 -42.4562 -19.0464 -19.0197 -18.8470 -18.8265 -18.6864 -18.6787 10.3077 10.8325 10.8963 11.0156 11.6052 11.7729 11.8540 12.0934 12.6082 12.6257 13.6927 13.9249 14.1235 14.1403 14.7003 14.8113 15.3132 16.1519 16.7605 17.1493 17.1573 18.0445 k =-0.5000-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.4768 -42.4594 -19.0412 -19.0221 -18.8613 -18.8476 -18.6671 -18.6605 10.1871 10.6905 10.7153 10.9337 11.5379 11.7229 11.8744 12.1259 12.8075 12.8309 13.9355 14.1641 14.2634 14.4684 14.7610 15.2498 15.5361 15.9213 16.7288 16.7648 17.2190 17.6907 k =-0.5000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4726 -42.4635 -19.0354 -19.0255 -18.8704 -18.8633 -18.6535 -18.6496 10.1661 10.4426 10.6798 10.8174 11.6260 11.7203 11.8603 11.9720 13.0017 13.0658 13.9513 14.1014 14.7746 14.9060 14.9444 15.6419 15.7480 15.7834 16.3924 16.7072 17.1100 17.2274 k =-0.5000-0.2997-0.3288 ( 1320 PWs) bands (ev): -42.4681 -42.4681 -19.0297 -19.0297 -18.8710 -18.8710 -18.6473 -18.6473 10.2545 10.2545 10.7199 10.7199 11.7866 11.7866 11.7874 11.7874 13.1195 13.1195 14.0029 14.0029 15.0737 15.0737 15.3568 15.3568 15.7873 15.7873 16.7123 16.7123 16.8128 16.8128 the Fermi energy is 14.4474 ev ! total energy = -405.20114616 Ry Harris-Foulkes estimate = -405.20114616 Ry estimated scf accuracy < 2.0E-12 Ry The total energy is the sum of the following terms: one-electron contribution = -84.10937252 Ry hartree contribution = 78.44031935 Ry xc contribution = -89.27057938 Ry ewald contribution = -310.25911900 Ry smearing contrib. (-TS) = -0.00239461 Ry convergence has been achieved in 42 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 -0.00038602 0.00000000 atom 2 type 2 force = 0.00000000 0.00041026 0.00000000 atom 3 type 1 force = 0.00000000 0.00038602 0.00000000 atom 4 type 2 force = 0.00000000 -0.00041026 0.00000000 Total force = 0.000797 Total SCF correction = 0.000000 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -20.78 -0.00011127 0.00000000 0.00000000 -16.37 0.00 0.00 0.00000000 -0.00019938 0.00000000 0.00 -29.33 0.00 0.00000000 0.00000000 -0.00011308 0.00 0.00 -16.63 BFGS Geometry Optimization number of scf cycles = 1 number of bfgs steps = 0 energy new = -405.2011461628 Ry new trust radius = 0.2000000000 bohr new conv_thr = 1.0E-10 Ry ATOMIC_POSITIONS (crystal) Ti 0.000000000 0.019929765 0.000000000 Ni 0.500000000 -0.054234771 0.500000000 Ti 0.000000000 0.480070235 0.500000000 Ni 0.500000000 0.554234771 0.000000000 Writing output data file pwscf.save NEW-OLD atomic charge density approx. for the potential Check: negative/imaginary core charge= -0.000006 0.000000 total cpu time spent up to now is 2516.27 secs per-process dynamical memory: 33.3 Mb Self-consistent Calculation iteration # 1 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-06, avg # of iterations = 5.9 total cpu time spent up to now is 2655.75 secs total energy = -405.19564554 Ry Harris-Foulkes estimate = -405.20284665 Ry estimated scf accuracy < 0.01604880 Ry iteration # 2 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.65E-05, avg # of iterations = 2.5 total cpu time spent up to now is 2718.41 secs total energy = -405.19500823 Ry Harris-Foulkes estimate = -405.20161811 Ry estimated scf accuracy < 0.03293548 Ry iteration # 3 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.65E-05, avg # of iterations = 1.6 total cpu time spent up to now is 2770.92 secs total energy = -405.19878772 Ry Harris-Foulkes estimate = -405.19954651 Ry estimated scf accuracy < 0.00506443 Ry iteration # 4 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.15E-05, avg # of iterations = 1.2 total cpu time spent up to now is 2821.66 secs total energy = -405.19911642 Ry Harris-Foulkes estimate = -405.19915942 Ry estimated scf accuracy < 0.00019839 Ry iteration # 5 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.51E-07, avg # of iterations = 3.2 total cpu time spent up to now is 2886.15 secs total energy = -405.19915097 Ry Harris-Foulkes estimate = -405.19916111 Ry estimated scf accuracy < 0.00004818 Ry iteration # 6 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.09E-07, avg # of iterations = 1.9 total cpu time spent up to now is 2939.60 secs total energy = -405.19915804 Ry Harris-Foulkes estimate = -405.19915901 Ry estimated scf accuracy < 0.00000951 Ry iteration # 7 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.16E-08, avg # of iterations = 1.2 total cpu time spent up to now is 2990.15 secs total energy = -405.19915898 Ry Harris-Foulkes estimate = -405.19915891 Ry estimated scf accuracy < 0.00000047 Ry iteration # 8 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.08E-09, avg # of iterations = 3.0 total cpu time spent up to now is 3058.81 secs total energy = -405.19915912 Ry Harris-Foulkes estimate = -405.19915912 Ry estimated scf accuracy < 0.00000019 Ry iteration # 9 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.21E-10, avg # of iterations = 2.0 total cpu time spent up to now is 3118.84 secs total energy = -405.19915918 Ry Harris-Foulkes estimate = -405.19915917 Ry estimated scf accuracy < 0.00000010 Ry iteration # 10 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.18E-10, avg # of iterations = 1.9 total cpu time spent up to now is 3172.10 secs total energy = -405.19915921 Ry Harris-Foulkes estimate = -405.19915919 Ry estimated scf accuracy < 5.6E-09 Ry iteration # 11 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.27E-11, avg # of iterations = 2.1 total cpu time spent up to now is 3226.97 secs total energy = -405.19915922 Ry Harris-Foulkes estimate = -405.19915921 Ry estimated scf accuracy < 1.0E-09 Ry iteration # 12 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.33E-12, avg # of iterations = 2.1 total cpu time spent up to now is 3284.00 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -42.5601 -42.5209 -18.9143 -18.9090 -18.7510 -18.7205 -18.5102 -18.4803 6.8476 10.1281 10.7177 10.7391 10.7846 12.1504 12.3262 12.3929 12.6532 12.8678 13.0332 13.2488 13.9687 14.5444 14.7702 14.9443 15.3066 16.8991 17.0821 17.1179 17.1209 17.2303 k = 0.0000 0.0000 0.0658 ( 1323 PWs) bands (ev): -42.5591 -42.5218 -18.9125 -18.9052 -18.7566 -18.7243 -18.5096 -18.4808 6.9462 10.1278 10.6867 10.8199 10.8595 12.1883 12.3006 12.3873 12.6919 12.8558 12.8776 13.1943 14.1018 14.4901 14.5183 15.0141 15.2602 16.9032 16.9662 17.0492 17.2162 17.2363 k = 0.0000 0.0000 0.1315 ( 1331 PWs) bands (ev): -42.5562 -42.5244 -18.9071 -18.8955 -18.7684 -18.7354 -18.5080 -18.4833 7.2362 10.1094 10.6921 10.9172 11.0900 12.1795 12.2932 12.3887 12.6362 12.7787 12.8229 13.0059 14.0176 14.2360 14.5394 15.0336 15.1711 16.6395 16.8920 16.9016 17.0577 17.2192 k = 0.0000 0.0000 0.1973 ( 1329 PWs) bands (ev): -42.5516 -42.5286 -18.8978 -18.8821 -18.7829 -18.7516 -18.5048 -18.4873 7.6991 9.9764 10.7363 11.0453 11.3589 11.9172 12.4144 12.4342 12.5200 12.6840 12.7826 12.8625 13.7228 14.1361 14.7212 14.9460 15.1507 16.1422 16.7040 16.7469 16.9765 17.1752 k = 0.0000 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5460 -42.5339 -18.8856 -18.8725 -18.7926 -18.7708 -18.5009 -18.4919 8.2987 9.5830 10.8581 11.1262 11.5371 11.6628 12.4627 12.4630 12.4725 12.5331 12.7832 12.8964 13.6857 13.9718 14.8814 14.8937 15.1519 15.5980 16.5444 16.5513 17.0088 17.1181 k = 0.0000 0.0000-0.3288 ( 1328 PWs) bands (ev): -42.5399 -42.5399 -18.8741 -18.8741 -18.7875 -18.7875 -18.4965 -18.4965 8.9680 8.9680 11.0348 11.0348 11.5763 11.5763 12.4387 12.4387 12.5184 12.5184 12.8556 12.8556 13.8049 13.8049 14.9408 14.9408 15.2223 15.2223 16.4801 16.4801 17.0590 17.0590 k = 0.0000 0.0599 0.0000 ( 1321 PWs) bands (ev): -42.5594 -42.5216 -18.9111 -18.9051 -18.7544 -18.7256 -18.5099 -18.4808 6.9271 10.1207 10.7400 10.7542 10.8092 12.1588 12.3007 12.4172 12.6452 12.8768 12.9567 13.1403 13.9225 14.5323 14.7730 14.9394 15.2566 16.8677 16.9049 17.1128 17.1756 17.2956 k = 0.0000 0.0599 0.0658 ( 1330 PWs) bands (ev): -42.5584 -42.5225 -18.9156 -18.8964 -18.7619 -18.7264 -18.5094 -18.4816 7.0251 10.1276 10.7130 10.8320 10.8764 12.1962 12.2735 12.4095 12.6856 12.7797 12.8658 13.1934 13.8846 14.5006 14.5830 14.9970 15.2606 16.8139 16.8615 17.0347 17.1776 17.3297 k = 0.0000 0.0599 0.1315 ( 1327 PWs) bands (ev): -42.5555 -42.5250 -18.9164 -18.8824 -18.7768 -18.7312 -18.5074 -18.4839 7.3133 10.1263 10.7176 10.9318 11.0888 12.1483 12.2996 12.4084 12.5619 12.7714 12.8386 13.0790 13.7065 14.3272 14.5047 14.9945 15.2649 16.5391 16.7836 16.9554 17.0191 17.2325 k = 0.0000 0.0599 0.1973 ( 1327 PWs) bands (ev): -42.5512 -42.5290 -18.9111 -18.8709 -18.7905 -18.7426 -18.5045 -18.4875 7.7732 10.0148 10.7535 11.0564 11.3477 11.8989 12.4257 12.4452 12.4487 12.7625 12.7899 12.8685 13.5601 14.1433 14.5693 14.9296 15.2657 16.0988 16.6082 16.7640 16.9691 17.1868 k = 0.0000 0.0599 0.2631 ( 1326 PWs) bands (ev): -42.5458 -42.5341 -18.9000 -18.8717 -18.7908 -18.7588 -18.5008 -18.4919 8.3685 9.6377 10.8650 11.1282 11.5240 11.6715 12.3916 12.4765 12.5390 12.5394 12.7939 12.9021 13.5915 13.9519 14.6521 14.8774 15.2590 15.6186 16.4654 16.5479 17.0104 17.1278 k = 0.0000 0.0599-0.3288 ( 1320 PWs) bands (ev): -42.5399 -42.5399 -18.8846 -18.8846 -18.7769 -18.7769 -18.4964 -18.4964 9.0317 9.0317 11.0333 11.0333 11.5825 11.5825 12.4332 12.4332 12.5288 12.5288 12.8635 12.8635 13.7545 13.7545 14.7745 14.7745 15.3251 15.3251 16.4375 16.4375 17.0657 17.0657 k = 0.0000 0.1199 0.0000 ( 1335 PWs) bands (ev): -42.5572 -42.5237 -18.9029 -18.8946 -18.7641 -18.7391 -18.5087 -18.4830 7.1611 10.0381 10.7741 10.8611 10.8677 12.1821 12.2084 12.4845 12.6226 12.7483 12.8988 12.8989 13.8676 14.5034 14.7476 14.9271 15.1615 16.4747 16.7818 17.0376 17.0988 17.3590 k = 0.0000 0.1199 0.0658 ( 1325 PWs) bands (ev): -42.5563 -42.5245 -18.9140 -18.8803 -18.7752 -18.7326 -18.5080 -18.4833 7.2573 10.0685 10.7790 10.8818 10.9376 12.1786 12.2184 12.4678 12.5896 12.6717 12.8903 13.0358 13.6948 14.4641 14.6140 14.9376 15.2544 16.4296 16.7662 16.9326 17.1370 17.3057 k = 0.0000 0.1199 0.1315 ( 1324 PWs) bands (ev): -42.5538 -42.5267 -18.9237 -18.8665 -18.7903 -18.7280 -18.5063 -18.4855 7.5400 10.1284 10.7872 10.9657 11.1028 12.0589 12.3180 12.4268 12.4585 12.7634 12.8709 13.1599 13.2932 14.3343 14.4264 14.8850 15.3924 16.2671 16.6516 16.8236 17.0659 17.2379 k = 0.0000 0.1199 0.1973 ( 1321 PWs) bands (ev): -42.5499 -42.5302 -18.9254 -18.8693 -18.7910 -18.7304 -18.5037 -18.4885 7.9904 10.1000 10.7970 11.0719 11.3228 11.8608 12.3347 12.4455 12.4828 12.8082 12.8606 12.8880 13.2474 14.1110 14.3721 14.7822 15.4272 15.9618 16.4650 16.6697 16.9984 17.1966 k = 0.0000 0.1199 0.2631 ( 1313 PWs) bands (ev): -42.5450 -42.5347 -18.9195 -18.8865 -18.7752 -18.7404 -18.5001 -18.4920 8.5717 9.7879 10.8749 11.1142 11.5016 11.6965 12.3114 12.5101 12.5559 12.5837 12.8237 12.9198 13.3792 13.8749 14.3985 14.6572 15.3870 15.6084 16.3358 16.4636 17.0237 17.1414 k = 0.0000 0.1199-0.3288 ( 1316 PWs) bands (ev): -42.5398 -42.5398 -18.9057 -18.9057 -18.7564 -18.7564 -18.4963 -18.4963 9.2148 9.2148 11.0181 11.0181 11.6036 11.6036 12.4095 12.4095 12.5546 12.5546 12.8870 12.8870 13.6163 13.6163 14.5045 14.5045 15.4062 15.4062 16.3315 16.3315 17.0784 17.0784 k = 0.0000 0.1798 0.0000 ( 1325 PWs) bands (ev): -42.5541 -42.5268 -18.8899 -18.8776 -18.7770 -18.7589 -18.5064 -18.4852 7.5339 9.7644 10.8699 10.9418 11.0278 12.0537 12.2150 12.4629 12.5775 12.5909 12.7181 12.9211 13.8637 14.4728 14.6843 14.9115 15.0884 15.9599 16.6702 16.8775 17.0849 17.3667 k = 0.0000 0.1798 0.0658 ( 1321 PWs) bands (ev): -42.5533 -42.5274 -18.9064 -18.8642 -18.7895 -18.7452 -18.5056 -18.4857 7.6270 9.8221 10.8768 10.9653 11.0658 12.0330 12.2495 12.3714 12.5297 12.6713 12.7912 12.9149 13.7082 14.4223 14.5617 14.8557 15.2365 15.9619 16.6543 16.7741 17.1259 17.3135 k = 0.0000 0.1798 0.1315 ( 1321 PWs) bands (ev): -42.5512 -42.5291 -18.9236 -18.8647 -18.7920 -18.7311 -18.5044 -18.4874 7.9002 9.9707 10.8773 11.0242 11.1774 11.9564 12.2469 12.3442 12.5122 12.7721 12.8584 12.9019 13.3885 14.2805 14.3358 14.7234 15.4436 15.9133 16.5212 16.6579 17.1133 17.2263 k = 0.0000 0.1798 0.1973 ( 1325 PWs) bands (ev): -42.5480 -42.5320 -18.9340 -18.8853 -18.7749 -18.7250 -18.5025 -18.4899 8.3337 10.1102 10.8339 11.0796 11.3441 11.8319 12.1827 12.4675 12.5282 12.7730 12.8369 12.9151 13.1726 14.0165 14.2200 14.5593 15.4934 15.7539 16.3215 16.5269 17.0419 17.1914 k = 0.0000 0.1798 0.2631 ( 1314 PWs) bands (ev): -42.5440 -42.5356 -18.9347 -18.9079 -18.7541 -18.7271 -18.4995 -18.4930 8.8883 9.9791 10.8364 11.0683 11.5160 11.7274 12.2111 12.5473 12.5562 12.5756 12.8658 12.9469 13.2145 13.7357 14.1923 14.3913 15.4176 15.5214 16.1966 16.3401 17.0427 17.1450 k = 0.0000 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5398 -42.5398 -18.9259 -18.9259 -18.7376 -18.7376 -18.4963 -18.4963 9.4889 9.4889 10.9622 10.9622 11.6417 11.6417 12.3510 12.3510 12.5832 12.5832 12.9221 12.9221 13.4403 13.4403 14.2538 14.2538 15.3893 15.3893 16.2042 16.2042 17.0880 17.0880 k = 0.0000 0.2398 0.0000 ( 1318 PWs) bands (ev): -42.5509 -42.5298 -18.8769 -18.8580 -18.7896 -18.7808 -18.5039 -18.4878 8.0076 9.3035 10.9747 11.0118 11.2221 11.9313 12.1780 12.2465 12.5604 12.6401 12.6655 12.9304 13.9043 14.4548 14.6155 14.8992 15.0487 15.5217 16.5703 16.7578 17.0731 17.3726 k = 0.0000 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5503 -42.5303 -18.8937 -18.8584 -18.7938 -18.7623 -18.5036 -18.4883 8.0962 9.3781 10.9862 11.0290 11.2466 11.9267 12.1154 12.2792 12.5460 12.6727 12.7133 12.9257 13.7875 14.3932 14.4885 14.7695 15.2221 15.5760 16.5602 16.6484 17.1175 17.3180 k = 0.0000 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5487 -42.5316 -18.9164 -18.8791 -18.7772 -18.7414 -18.5029 -18.4897 8.3549 9.5874 10.9646 11.0959 11.3243 11.8896 12.0115 12.3692 12.5397 12.7037 12.8066 12.9159 13.5376 14.1978 14.2784 14.5425 15.4542 15.6190 16.4214 16.5282 17.1468 17.2070 k = 0.0000 0.2398 0.1973 ( 1325 PWs) bands (ev): -42.5461 -42.5338 -18.9338 -18.9050 -18.7548 -18.7275 -18.5012 -18.4915 8.7612 9.8773 10.8623 11.1441 11.4446 11.7868 12.0059 12.4874 12.5561 12.6442 12.8774 12.9310 13.3077 13.8708 14.1325 14.3402 15.4660 15.5947 16.2133 16.4114 17.0751 17.1780 k = 0.0000 0.2398 0.2631 ( 1329 PWs) bands (ev): -42.5430 -42.5365 -18.9425 -18.9266 -18.7364 -18.7221 -18.4987 -18.4940 9.2695 10.0649 10.7266 11.0553 11.5794 11.7352 12.0911 12.4747 12.5745 12.5894 12.9075 12.9715 13.2109 13.5539 14.0601 14.1775 15.3610 15.4451 16.0891 16.2357 17.0577 17.1417 k = 0.0000 0.2398-0.3288 ( 1328 PWs) bands (ev): -42.5397 -42.5397 -18.9397 -18.9397 -18.7250 -18.7250 -18.4965 -18.4965 9.7866 9.7866 10.8507 10.8507 11.6868 11.6868 12.2628 12.2628 12.6035 12.6035 12.9561 12.9561 13.3061 13.3061 14.0780 14.0780 15.3305 15.3305 16.1006 16.1006 17.0927 17.0927 k = 0.0000-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5494 -42.5313 -18.8708 -18.8465 -18.7957 -18.7946 -18.5029 -18.4892 8.3723 8.9301 11.0114 11.0489 11.3327 11.8911 12.0338 12.2603 12.5470 12.6193 12.7045 12.9295 13.9370 14.4509 14.5835 14.8944 15.0358 15.3384 16.5299 16.7124 17.0688 17.3752 k = 0.0000-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5489 -42.5317 -18.8842 -18.8631 -18.7815 -18.7810 -18.5026 -18.4898 8.4555 9.0133 11.0428 11.0454 11.3557 11.8949 11.9723 12.2923 12.5422 12.6435 12.7435 12.9250 13.8384 14.3819 14.4545 14.7191 15.2207 15.4257 16.5213 16.6029 17.1141 17.3199 k = 0.0000-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5474 -42.5328 -18.9082 -18.8913 -18.7587 -18.7575 -18.5020 -18.4909 8.6972 9.2522 11.0054 11.1231 11.4379 11.8264 11.9087 12.3802 12.5445 12.6663 12.8322 12.9142 13.6215 14.1423 14.2679 14.4467 15.4806 15.4826 16.3839 16.4797 17.1642 17.1927 k = 0.0000-0.2997 0.1973 ( 1324 PWs) bands (ev): -42.5452 -42.5346 -18.9292 -18.9170 -18.7384 -18.7376 -18.5000 -18.4922 9.0713 9.6090 10.8832 11.1854 11.5748 11.6739 11.9429 12.4961 12.5634 12.6068 12.9073 12.9261 13.4128 13.7616 14.1084 14.2440 15.4197 15.5614 16.1731 16.3674 17.0889 17.1706 k = 0.0000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5426 -42.5370 -18.9423 -18.9358 -18.7252 -18.7249 -18.4985 -18.4940 9.5249 9.9719 10.6972 11.0591 11.6498 11.6964 12.0319 12.4364 12.5866 12.5916 12.9264 12.9807 13.2778 13.4242 14.0171 14.0953 15.3182 15.4251 16.0489 16.1955 17.0641 17.1399 k = 0.0000-0.2997-0.3288 ( 1324 PWs) bands (ev): -42.5397 -42.5397 -18.9445 -18.9445 -18.7203 -18.7203 -18.4964 -18.4964 9.9418 9.9418 10.7687 10.7687 11.7093 11.7093 12.2147 12.2147 12.6106 12.6106 12.9704 12.9704 13.2604 13.2604 14.0145 14.0145 15.3027 15.3027 16.0613 16.0613 17.0952 17.0952 k = 0.0714 0.0000 0.0000 ( 1328 PWs) bands (ev): -42.5567 -42.5176 -18.9111 -18.9056 -18.7486 -18.7180 -18.5390 -18.5076 6.9630 10.2210 10.7546 10.8062 10.8410 12.1261 12.3343 12.3435 12.6314 12.8323 13.0280 13.2776 13.8628 14.6082 14.7943 14.8604 15.1375 16.8921 17.0229 17.0662 17.2702 17.2837 k = 0.0714 0.0000 0.0658 ( 1339 PWs) bands (ev): -42.5556 -42.5185 -18.9097 -18.9023 -18.7537 -18.7220 -18.5380 -18.5086 7.0605 10.2195 10.7429 10.8769 10.9069 12.1583 12.3012 12.3412 12.6649 12.8198 12.8750 13.2154 14.0105 14.4434 14.5834 15.0134 15.1416 16.7736 17.0396 17.0443 17.0651 17.3805 k = 0.0714 0.0000 0.1315 ( 1336 PWs) bands (ev): -42.5527 -42.5211 -18.9038 -18.8922 -18.7652 -18.7328 -18.5360 -18.5110 7.3472 10.2002 10.7551 10.9755 11.1291 12.1611 12.2440 12.3574 12.6088 12.7733 12.7869 12.9912 14.0182 14.2080 14.5675 15.0673 15.1210 16.4942 16.8485 16.9554 16.9889 17.1701 k = 0.0714 0.0000 0.1973 ( 1335 PWs) bands (ev): -42.5482 -42.5252 -18.8943 -18.8790 -18.7798 -18.7488 -18.5328 -18.5147 7.8052 10.0694 10.7998 11.1072 11.3960 11.9022 12.3512 12.3794 12.4993 12.6245 12.7519 12.8374 13.7985 14.1750 14.7063 15.0244 15.1284 16.0803 16.6953 16.7530 16.8584 17.0331 k = 0.0714 0.0000 0.2631 ( 1325 PWs) bands (ev): -42.5426 -42.5305 -18.8818 -18.8689 -18.7891 -18.7677 -18.5285 -18.5187 8.3994 9.6780 10.9181 11.1933 11.5735 11.6590 12.3815 12.3873 12.4522 12.4823 12.7387 12.8498 13.7803 14.0245 14.8725 15.0021 15.1511 15.6453 16.5109 16.5494 16.8395 16.9459 k = 0.0714 0.0000-0.3288 ( 1324 PWs) bands (ev): -42.5365 -42.5365 -18.8706 -18.8706 -18.7841 -18.7841 -18.5238 -18.5238 9.0645 9.0645 11.0955 11.0955 11.5965 11.5965 12.3630 12.3630 12.4911 12.4911 12.7900 12.7900 13.8746 13.8746 14.9774 14.9774 15.2987 15.2987 16.4511 16.4511 16.8775 16.8775 k = 0.0714 0.0599 0.0000 ( 1330 PWs) bands (ev): -42.5559 -42.5183 -18.9083 -18.9021 -18.7520 -18.7227 -18.5380 -18.5083 7.0417 10.2139 10.7899 10.8084 10.8655 12.1341 12.3061 12.3576 12.6221 12.8417 12.9497 13.1476 13.8673 14.5985 14.8023 14.8606 15.1254 16.7690 16.9659 16.9904 17.1937 17.2554 k = 0.0714 0.0599 0.0658 ( 1331 PWs) bands (ev): -42.5549 -42.5192 -18.9124 -18.8930 -18.7587 -18.7235 -18.5374 -18.5092 7.1385 10.2194 10.7725 10.8883 10.9210 12.1639 12.2724 12.3557 12.6558 12.7734 12.8308 13.2138 13.8292 14.5452 14.5753 14.9938 15.1470 16.6942 16.8753 17.0094 17.0990 17.3222 k = 0.0714 0.0599 0.1315 ( 1333 PWs) bands (ev): -42.5521 -42.5217 -18.9131 -18.8791 -18.7737 -18.7286 -18.5354 -18.5114 7.4233 10.2161 10.7825 10.9916 11.1242 12.1223 12.2579 12.3675 12.5474 12.7331 12.8042 13.0889 13.6954 14.3441 14.5408 15.0227 15.1839 16.4397 16.7540 16.8618 17.1230 17.1434 k = 0.0714 0.0599 0.1973 ( 1337 PWs) bands (ev): -42.5477 -42.5256 -18.9077 -18.8677 -18.7875 -18.7399 -18.5325 -18.5151 7.8780 10.1055 10.8183 11.1201 11.3798 11.8810 12.3592 12.3631 12.4555 12.6783 12.7639 12.8667 13.6285 14.1924 14.5952 14.9825 15.2168 16.0572 16.5645 16.8249 16.8404 17.0702 k = 0.0714 0.0599 0.2631 ( 1329 PWs) bands (ev): -42.5424 -42.5307 -18.8963 -18.8685 -18.7876 -18.7560 -18.5286 -18.5190 8.4675 9.7302 10.9253 11.1957 11.5513 11.6710 12.3186 12.4182 12.4667 12.5163 12.7485 12.8558 13.6824 14.0082 14.6988 14.9285 15.2557 15.6660 16.4144 16.5661 16.8507 16.9885 k = 0.0714 0.0599-0.3288 ( 1322 PWs) bands (ev): -42.5365 -42.5365 -18.8812 -18.8812 -18.7738 -18.7738 -18.5237 -18.5237 9.1262 9.1262 11.0934 11.0934 11.6013 11.6013 12.3557 12.3557 12.5033 12.5033 12.7980 12.7980 13.8234 13.8234 14.8271 14.8271 15.3821 15.3821 16.4084 16.4084 16.9096 16.9096 k = 0.0714 0.1199 0.0000 ( 1327 PWs) bands (ev): -42.5537 -42.5204 -18.8995 -18.8911 -18.7610 -18.7361 -18.5362 -18.5099 7.2732 10.1331 10.8441 10.8933 10.9242 12.1564 12.1972 12.4043 12.5919 12.7454 12.8522 12.9003 13.8945 14.5739 14.8208 14.8376 15.0983 16.4111 16.8381 16.8900 17.0304 17.2375 k = 0.0714 0.1199 0.0658 ( 1329 PWs) bands (ev): -42.5529 -42.5211 -18.9111 -18.8771 -18.7720 -18.7300 -18.5358 -18.5108 7.3681 10.1614 10.8483 10.9328 10.9755 12.1450 12.2048 12.3977 12.5809 12.6320 12.8536 13.0368 13.7222 14.5356 14.6327 14.9198 15.1758 16.3718 16.7641 16.8815 17.0163 17.2493 k = 0.0714 0.1199 0.1315 ( 1327 PWs) bands (ev): -42.5503 -42.5234 -18.9204 -18.8633 -18.7873 -18.7252 -18.5340 -18.5127 7.6470 10.2163 10.8587 11.0263 11.1282 12.0271 12.2804 12.3779 12.4378 12.6975 12.8319 13.1870 13.3184 14.3857 14.4791 14.9040 15.2917 16.2305 16.5729 16.8497 17.0204 17.1920 k = 0.0714 0.1199 0.1973 ( 1329 PWs) bands (ev): -42.5465 -42.5269 -18.9224 -18.8659 -18.7878 -18.7278 -18.5312 -18.5162 8.0916 10.1844 10.8678 11.1377 11.3407 11.8416 12.2740 12.3808 12.4560 12.7069 12.8015 12.9454 13.3104 14.1703 14.4329 14.8250 15.3416 15.9599 16.4012 16.7591 16.9069 17.1146 k = 0.0714 0.1199 0.2631 ( 1326 PWs) bands (ev): -42.5417 -42.5313 -18.9160 -18.8833 -18.7724 -18.7378 -18.5279 -18.5197 8.6660 9.8731 10.9376 11.1784 11.5161 11.6989 12.2446 12.4219 12.4975 12.5817 12.7746 12.8662 13.4635 13.9343 14.4652 14.7105 15.3612 15.6600 16.2917 16.5104 16.9057 17.0479 k = 0.0714 0.1199-0.3288 ( 1318 PWs) bands (ev): -42.5364 -42.5364 -18.9019 -18.9019 -18.7535 -18.7535 -18.5237 -18.5237 9.3032 9.3032 11.0763 11.0763 11.6190 11.6190 12.3315 12.3315 12.5336 12.5336 12.8177 12.8177 13.6829 13.6829 14.5720 14.5720 15.4489 15.4489 16.3221 16.3221 16.9695 16.9695 k = 0.0714 0.1798 0.0000 ( 1328 PWs) bands (ev): -42.5506 -42.5234 -18.8870 -18.8742 -18.7740 -18.7557 -18.5341 -18.5128 7.6423 9.8618 10.9396 11.0003 11.0540 12.0286 12.1872 12.4390 12.4619 12.5840 12.7087 12.8835 13.9588 14.5471 14.7805 14.8399 15.0706 15.9569 16.6752 16.8434 16.8482 17.2256 k = 0.0714 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5499 -42.5240 -18.9030 -18.8611 -18.7869 -18.7422 -18.5336 -18.5133 7.7339 9.9169 10.9480 11.0243 11.0890 12.0032 12.2205 12.3626 12.4469 12.6013 12.7925 12.8792 13.8035 14.4984 14.6239 14.8294 15.2043 15.9562 16.6458 16.6982 16.9567 17.2078 k = 0.0714 0.1798 0.1315 ( 1332 PWs) bands (ev): -42.5478 -42.5258 -18.9203 -18.8617 -18.7890 -18.7286 -18.5323 -18.5149 8.0026 10.0581 10.9520 11.0838 11.1946 11.9278 12.2101 12.3222 12.4458 12.6661 12.8454 12.8989 13.4795 14.3401 14.4100 14.7447 15.3672 15.9181 16.4373 16.7023 16.9811 17.1647 k = 0.0714 0.1798 0.1973 ( 1329 PWs) bands (ev): -42.5446 -42.5286 -18.9305 -18.8817 -18.7719 -18.7223 -18.5298 -18.5174 8.4291 10.1876 10.9110 11.1374 11.3560 11.8172 12.1280 12.4105 12.4785 12.6934 12.8344 12.8766 13.2526 14.0765 14.3045 14.6104 15.4042 15.7822 16.2807 16.6207 16.9562 17.1174 k = 0.0714 0.1798 0.2631 ( 1325 PWs) bands (ev): -42.5407 -42.5322 -18.9311 -18.9044 -18.7514 -18.7245 -18.5271 -18.5205 8.9752 10.0528 10.9045 11.1223 11.5270 11.7293 12.1530 12.4188 12.5262 12.6183 12.8110 12.8506 13.2956 13.7934 14.2779 14.4620 15.3899 15.5853 16.1921 16.4061 16.9637 17.0777 k = 0.0714 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5364 -42.5364 -18.9220 -18.9220 -18.7345 -18.7345 -18.5237 -18.5237 9.5677 9.5677 11.0184 11.0184 11.6531 11.6531 12.2845 12.2845 12.5662 12.5662 12.8358 12.8358 13.5037 13.5037 14.3383 14.3383 15.4388 15.4388 16.2251 16.2251 17.0176 17.0176 k = 0.0714 0.2398 0.0000 ( 1331 PWs) bands (ev): -42.5475 -42.5265 -18.8742 -18.8546 -18.7872 -18.7782 -18.5317 -18.5155 8.1113 9.4029 11.0390 11.0780 11.2406 11.9042 12.1622 12.2252 12.5032 12.5446 12.6456 12.8811 14.0536 14.5303 14.7168 14.8533 15.0506 15.5644 16.5453 16.7102 16.8207 17.2176 k = 0.0714 0.2398 0.0658 ( 1331 PWs) bands (ev): -42.5469 -42.5269 -18.8904 -18.8553 -18.7909 -18.7597 -18.5313 -18.5158 8.1980 9.4747 11.0550 11.0919 11.2632 11.8987 12.1029 12.2556 12.4774 12.5747 12.6971 12.8778 13.9378 14.4658 14.5707 14.7520 15.2247 15.6099 16.5332 16.5553 16.9268 17.1877 k = 0.0714 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5453 -42.5283 -18.9129 -18.8756 -18.7741 -18.7388 -18.5300 -18.5171 8.4513 9.6762 11.0323 11.1632 11.3362 11.8684 11.9847 12.3429 12.4666 12.6287 12.7559 12.8706 13.6857 14.2383 14.3675 14.5822 15.4201 15.6523 16.3410 16.5298 16.9970 17.1246 k = 0.0714 0.2398 0.1973 ( 1326 PWs) bands (ev): -42.5427 -42.5304 -18.9300 -18.9014 -18.7517 -18.7246 -18.5284 -18.5191 8.8492 9.9535 10.9276 11.2161 11.4487 11.7743 11.9653 12.4448 12.4903 12.6253 12.7866 12.8619 13.4337 13.9120 14.2279 14.4158 15.4340 15.6113 16.2149 16.4538 17.0010 17.0861 k = 0.0714 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.5397 -42.5332 -18.9383 -18.9230 -18.7335 -18.7190 -18.5264 -18.5214 9.3468 10.1280 10.7917 11.1147 11.5835 11.7365 12.0501 12.4099 12.5431 12.5926 12.8214 12.8465 13.3031 13.6064 14.1587 14.2724 15.3891 15.4969 16.1234 16.2805 17.0051 17.0767 k = 0.0714 0.2398-0.3288 ( 1324 PWs) bands (ev): -42.5363 -42.5363 -18.9356 -18.9356 -18.7219 -18.7219 -18.5238 -18.5238 9.8533 9.8533 10.9081 10.9081 11.6934 11.6934 12.2212 12.2212 12.5857 12.5857 12.8398 12.8398 13.3717 13.3717 14.1794 14.1794 15.4067 15.4067 16.1293 16.1293 17.0424 17.0424 k = 0.0714-0.2997 0.0000 ( 1336 PWs) bands (ev): -42.5460 -42.5279 -18.8683 -18.8432 -18.7933 -18.7908 -18.5307 -18.5170 8.4713 9.0329 11.0721 11.1202 11.3464 11.8648 12.0289 12.2338 12.5138 12.5299 12.6381 12.8744 14.1094 14.5255 14.6866 14.8580 15.0439 15.3997 16.4942 16.6597 16.8137 17.2145 k = 0.0714-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5455 -42.5283 -18.8808 -18.8597 -18.7785 -18.7782 -18.5301 -18.5171 8.5524 9.1135 11.1050 11.1161 11.3683 11.8677 11.9668 12.2660 12.4838 12.5641 12.6816 12.8726 14.0179 14.4430 14.5446 14.7105 15.2384 15.4702 16.4869 16.5027 16.9184 17.1817 k = 0.0714-0.2997 0.1315 ( 1324 PWs) bands (ev): -42.5441 -42.5294 -18.9044 -18.8877 -18.7554 -18.7544 -18.5291 -18.5180 8.7883 9.3448 11.0710 11.1914 11.4506 11.8126 11.8801 12.3536 12.4723 12.6090 12.7365 12.8692 13.8165 14.1483 14.3591 14.5033 15.4773 15.5148 16.3080 16.4579 17.0066 17.1061 k = 0.0714-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.5419 -42.5312 -18.9255 -18.9134 -18.7357 -18.7349 -18.5281 -18.5194 9.1531 9.6889 10.9425 11.2662 11.5879 11.6441 11.9132 12.4700 12.4876 12.5815 12.7775 12.8677 13.6121 13.7394 14.2035 14.3370 15.4606 15.5257 16.2007 16.3744 17.0388 17.0485 k = 0.0714-0.2997 0.2631 ( 1334 PWs) bands (ev): -42.5392 -42.5336 -18.9385 -18.9321 -18.7223 -18.7220 -18.5261 -18.5217 9.5950 10.0356 10.7571 11.1258 11.6364 11.7074 12.0027 12.4028 12.5486 12.5685 12.8157 12.8614 13.4159 13.4354 14.1186 14.2031 15.3932 15.4536 16.1023 16.2165 17.0229 17.0689 k = 0.0714-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.5363 -42.5363 -18.9408 -18.9408 -18.7178 -18.7178 -18.5239 -18.5239 10.0007 10.0007 10.8293 10.8293 11.7129 11.7129 12.1874 12.1874 12.5903 12.5903 12.8379 12.8379 13.3296 13.3296 14.1232 14.1232 15.3932 15.3932 16.0854 16.0854 17.0482 17.0482 k = 0.1429 0.0000 0.0000 ( 1344 PWs) bands (ev): -42.5469 -42.5082 -18.9028 -18.8968 -18.7414 -18.7108 -18.6173 -18.5827 7.3023 10.4915 10.8603 10.9840 10.9950 12.0611 12.1984 12.3667 12.5730 12.7438 13.0097 13.3488 13.6097 14.2912 14.7874 15.0100 15.1421 16.6430 16.6716 16.8759 17.2672 17.7658 k = 0.1429 0.0000 0.0658 ( 1338 PWs) bands (ev): -42.5459 -42.5091 -18.9005 -18.8930 -18.7456 -18.7144 -18.6164 -18.5832 7.3961 10.4863 10.8856 11.0311 11.0455 12.0813 12.1936 12.3198 12.5973 12.7305 12.8679 13.2447 13.7801 14.1750 14.7675 15.0159 15.1811 16.4938 16.6535 16.9017 17.0893 17.9975 k = 0.1429 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5430 -42.5117 -18.8944 -18.8831 -18.7570 -18.7248 -18.6143 -18.5856 7.6721 10.4637 10.9244 11.1321 11.2329 12.0943 12.1267 12.2835 12.5244 12.6953 12.7823 12.9018 14.0305 14.0394 14.7289 15.0298 15.2295 16.2243 16.6008 16.7496 16.9305 17.5762 k = 0.1429 0.0000 0.1973 ( 1333 PWs) bands (ev): -42.5386 -42.5159 -18.8844 -18.8699 -18.7708 -18.7409 -18.6102 -18.5892 8.1142 10.3381 10.9710 11.2731 11.4910 11.8614 12.1659 12.2897 12.4196 12.4567 12.6667 12.7964 14.0031 14.1693 14.7529 15.0629 15.2488 15.9768 16.5248 16.5368 16.7613 17.0922 k = 0.1429 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5331 -42.5211 -18.8721 -18.8597 -18.7802 -18.7594 -18.6053 -18.5943 8.6903 9.9500 11.0757 11.3749 11.6492 11.6797 12.1838 12.2463 12.2668 12.4135 12.6312 12.7371 14.0306 14.1333 14.8826 15.1120 15.2936 15.7783 16.3799 16.4476 16.5861 16.7144 k = 0.1429 0.0000-0.3288 ( 1332 PWs) bands (ev): -42.5270 -42.5270 -18.8616 -18.8616 -18.7753 -18.7753 -18.5998 -18.5998 9.3410 9.3410 11.2486 11.2486 11.6654 11.6654 12.1960 12.1960 12.3780 12.3780 12.6348 12.6348 14.0703 14.0703 15.0313 15.0313 15.5207 15.5207 16.3755 16.3755 16.5372 16.5372 k = 0.1429 0.0599 0.0000 ( 1341 PWs) bands (ev): -42.5462 -42.5090 -18.8997 -18.8928 -18.7450 -18.7152 -18.6165 -18.5831 7.3783 10.4853 10.8918 10.9894 11.0179 12.0680 12.2026 12.3150 12.5604 12.7590 12.9237 13.1323 13.7596 14.3494 14.7823 15.0148 15.1370 16.5236 16.6081 16.8844 17.1902 17.5915 k = 0.1429 0.0599 0.0658 ( 1335 PWs) bands (ev): -42.5452 -42.5098 -18.9033 -18.8838 -18.7509 -18.7159 -18.6157 -18.5839 7.4713 10.4863 10.9175 11.0413 11.0559 12.0830 12.1922 12.2815 12.5825 12.7371 12.7626 13.2407 13.6735 14.3061 14.7596 15.0260 15.1661 16.4628 16.5067 16.9266 17.0248 17.7821 k = 0.1429 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5424 -42.5123 -18.9040 -18.8700 -18.7654 -18.7211 -18.6135 -18.5862 7.7449 10.4758 10.9536 11.1525 11.2182 12.0395 12.1570 12.2688 12.4870 12.6513 12.7353 13.0669 13.6512 14.2889 14.7108 15.0537 15.1947 16.2068 16.4387 16.7665 16.9645 17.6414 k = 0.1429 0.0599 0.1973 ( 1335 PWs) bands (ev): -42.5382 -42.5163 -18.8979 -18.8586 -18.7785 -18.7319 -18.6097 -18.5898 8.1828 10.3661 10.9903 11.2912 11.4574 11.8360 12.1823 12.2333 12.3973 12.5229 12.6774 12.8380 13.7704 14.2577 14.7031 15.1134 15.1789 15.9796 16.3295 16.6101 16.8678 17.1316 k = 0.1429 0.0599 0.2631 ( 1332 PWs) bands (ev): -42.5328 -42.5213 -18.8864 -18.8591 -18.7789 -18.7477 -18.6049 -18.5944 8.7529 9.9933 11.0804 11.3740 11.5977 11.7086 12.1614 12.2047 12.3599 12.4173 12.6387 12.7468 13.8966 14.1421 14.7876 15.0787 15.2808 15.8053 16.2256 16.5651 16.6473 16.7585 k = 0.1429 0.0599-0.3288 ( 1332 PWs) bands (ev): -42.5270 -42.5270 -18.8716 -18.8716 -18.7654 -18.7654 -18.5998 -18.5998 9.3954 9.3954 11.2396 11.2396 11.6697 11.6697 12.1883 12.1883 12.3955 12.3955 12.6452 12.6452 14.0131 14.0131 14.9348 14.9348 15.5403 15.5403 16.3385 16.3385 16.6243 16.6243 k = 0.1429 0.1199 0.0000 ( 1329 PWs) bands (ev): -42.5441 -42.5110 -18.8907 -18.8818 -18.7532 -18.7280 -18.6142 -18.5850 7.6020 10.4086 10.9840 11.0286 11.0768 12.0874 12.1490 12.2239 12.5162 12.7226 12.7813 12.8477 13.9517 14.4789 14.7702 15.0287 15.1132 16.2387 16.5173 16.7984 17.0664 17.2348 k = 0.1429 0.1199 0.0658 ( 1333 PWs) bands (ev): -42.5432 -42.5118 -18.9018 -18.8680 -18.7641 -18.7224 -18.6137 -18.5857 7.6925 10.4305 11.0112 11.0558 11.1128 12.0557 12.1535 12.2314 12.5421 12.5579 12.7732 13.0116 13.7564 14.4696 14.7414 15.0197 15.1502 16.2200 16.3919 16.8676 16.9143 17.4095 k = 0.1429 0.1199 0.1315 ( 1338 PWs) bands (ev): -42.5407 -42.5140 -18.9110 -18.8545 -18.7790 -18.7177 -18.6117 -18.5879 7.9588 10.4689 11.0415 11.1672 11.2166 11.9437 12.1858 12.2235 12.4017 12.5821 12.7510 13.2105 13.3313 14.4095 14.6730 15.0273 15.1773 16.1447 16.1914 16.7631 16.9486 17.5305 k = 0.1429 0.1199 0.1973 ( 1337 PWs) bands (ev): -42.5369 -42.5175 -18.9124 -18.8568 -18.7792 -18.7202 -18.6086 -18.5911 8.3839 10.4228 11.0479 11.3002 11.3864 11.8049 12.1234 12.2218 12.3908 12.5641 12.7059 12.9523 13.4149 14.2798 14.6193 15.0070 15.1913 15.9572 16.1338 16.6743 16.9438 17.1981 k = 0.1429 0.1199 0.2631 ( 1335 PWs) bands (ev): -42.5321 -42.5219 -18.9059 -18.8738 -18.7640 -18.7299 -18.6045 -18.5951 8.9351 10.1100 11.0899 11.3182 11.5624 11.7380 12.0981 12.2187 12.4254 12.4719 12.6581 12.7670 13.6323 14.0752 14.6395 14.8930 15.3125 15.8012 16.1233 16.6365 16.7471 16.8629 k = 0.1429 0.1199-0.3288 ( 1332 PWs) bands (ev): -42.5270 -42.5270 -18.8921 -18.8921 -18.7454 -18.7454 -18.5999 -18.5999 9.5509 9.5509 11.2039 11.2039 11.6868 11.6868 12.1711 12.1711 12.4390 12.4390 12.6670 12.6670 13.8510 13.8510 14.7457 14.7457 15.5473 15.5473 16.3219 16.3219 16.7558 16.7558 k = 0.1429 0.1798 0.0000 ( 1326 PWs) bands (ev): -42.5410 -42.5140 -18.8783 -18.8649 -18.7660 -18.7473 -18.6113 -18.5879 7.9588 10.1419 11.1208 11.1265 11.1598 11.9618 12.1132 12.2214 12.3738 12.5600 12.6753 12.7819 14.1522 14.6109 14.7564 15.0458 15.0667 15.9370 16.4081 16.6254 16.8847 16.9760 k = 0.1429 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5403 -42.5146 -18.8937 -18.8521 -18.7786 -18.7342 -18.6107 -18.5884 8.0452 10.1883 11.1214 11.1552 11.1923 11.9279 12.1441 12.2157 12.3443 12.5105 12.7627 12.7898 13.9699 14.5722 14.7263 14.9494 15.1849 15.9373 16.2917 16.6879 16.8156 17.0945 k = 0.1429 0.1798 0.1315 ( 1336 PWs) bands (ev): -42.5382 -42.5164 -18.9106 -18.8525 -18.7806 -18.7208 -18.6093 -18.5902 8.2988 10.3045 11.1289 11.2031 11.2898 11.8628 12.0943 12.2249 12.3345 12.5336 12.7528 12.9003 13.5921 14.4245 14.6379 14.8968 15.2409 15.9399 16.1056 16.7523 16.8156 17.1987 k = 0.1429 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5351 -42.5192 -18.9200 -18.8722 -18.7637 -18.7144 -18.6068 -18.5928 8.7016 10.3998 11.0917 11.2357 11.4362 11.7987 11.9935 12.2632 12.3847 12.5650 12.7147 12.9352 13.3070 14.2061 14.5479 14.8111 15.2574 15.8513 16.0736 16.7348 16.8798 17.1088 k = 0.1429 0.1798 0.2631 ( 1337 PWs) bands (ev): -42.5312 -42.5228 -18.9206 -18.8946 -18.7436 -18.7166 -18.6035 -18.5961 9.2180 10.2496 11.0549 11.2102 11.5976 11.7625 12.0308 12.2511 12.4327 12.5560 12.6691 12.7731 13.3966 13.9235 14.5193 14.6880 15.3539 15.7508 16.0968 16.6344 16.8010 16.9412 k = 0.1429 0.1798-0.3288 ( 1332 PWs) bands (ev): -42.5269 -42.5269 -18.9116 -18.9116 -18.7267 -18.7267 -18.5997 -18.5997 9.7811 9.7811 11.1264 11.1264 11.7170 11.7170 12.1545 12.1545 12.4919 12.4919 12.6764 12.6764 13.6339 13.6339 14.5749 14.5749 15.5528 15.5528 16.2942 16.2942 16.8593 16.8593 k = 0.1429 0.2398 0.0000 ( 1330 PWs) bands (ev): -42.5379 -42.5170 -18.8655 -18.8452 -18.7793 -18.7696 -18.6085 -18.5907 8.4123 9.6877 11.2063 11.2575 11.2902 11.8457 12.1054 12.1790 12.2119 12.5027 12.6069 12.7492 14.3571 14.7040 14.7415 15.0170 15.0596 15.6851 16.3264 16.4670 16.6253 16.9235 k = 0.1429 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5374 -42.5175 -18.8808 -18.8459 -18.7825 -18.7513 -18.6080 -18.5909 8.4928 9.7502 11.2216 11.2584 11.3213 11.8394 12.0536 12.1936 12.2329 12.4796 12.6638 12.7521 14.2098 14.5767 14.7374 14.8604 15.2506 15.7084 16.2070 16.5015 16.6856 16.9519 k = 0.1429 0.2398 0.1315 ( 1332 PWs) bands (ev): -42.5357 -42.5188 -18.9031 -18.8660 -18.7658 -18.7310 -18.6070 -18.5923 8.7278 9.9238 11.1760 11.3436 11.3876 11.8258 11.9085 12.2465 12.2979 12.4965 12.6983 12.7762 13.8736 14.3349 14.6211 14.7710 15.3414 15.7352 16.1039 16.5743 16.7490 16.9952 k = 0.1429 0.2398 0.1973 ( 1334 PWs) bands (ev): -42.5332 -42.5210 -18.9198 -18.8914 -18.7438 -18.7168 -18.6050 -18.5945 9.0962 10.1576 11.0587 11.3739 11.4945 11.7634 11.8762 12.3030 12.3839 12.5348 12.6582 12.8170 13.5083 14.0500 14.4994 14.6640 15.3530 15.6922 16.1392 16.6237 16.7955 16.9815 k = 0.1429 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.5302 -42.5237 -18.9273 -18.9124 -18.7255 -18.7108 -18.6024 -18.5971 9.5564 10.2897 10.9201 11.2129 11.6416 11.7695 11.9733 12.3043 12.4360 12.5777 12.6128 12.7751 13.3359 13.7345 14.4396 14.5512 15.4348 15.6837 16.1170 16.4688 16.8621 16.9472 k = 0.1429 0.2398-0.3288 ( 1332 PWs) bands (ev): -42.5269 -42.5269 -18.9249 -18.9249 -18.7139 -18.7139 -18.5998 -18.5998 10.0253 10.0253 11.0116 11.0116 11.7456 11.7456 12.1464 12.1464 12.5417 12.5417 12.6513 12.6513 13.4599 13.4599 14.4642 14.4642 15.5967 15.5967 16.2033 16.2033 16.9157 16.9157 k = 0.1429-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5365 -42.5184 -18.8595 -18.8335 -18.7853 -18.7818 -18.6073 -18.5922 8.7574 9.3280 11.2368 11.3067 11.3815 11.8135 12.0102 12.1669 12.2051 12.4846 12.5925 12.7253 14.4667 14.7276 14.7374 14.9941 15.0653 15.5752 16.2970 16.4109 16.5224 16.9056 k = 0.1429-0.2997 0.0658 ( 1326 PWs) bands (ev): -42.5360 -42.5188 -18.8715 -18.8502 -18.7702 -18.7698 -18.6067 -18.5924 8.8317 9.3996 11.2713 11.2879 11.4109 11.8153 11.9454 12.2004 12.2157 12.4682 12.6349 12.7329 14.3769 14.5001 14.7747 14.7964 15.3022 15.5971 16.1822 16.4076 16.6309 16.9192 k = 0.1429-0.2997 0.1315 ( 1332 PWs) bands (ev): -42.5346 -42.5200 -18.8944 -18.8780 -18.7476 -18.7463 -18.6061 -18.5936 9.0470 9.6040 11.2108 11.3680 11.5059 11.7716 11.8261 12.2508 12.2894 12.4813 12.6592 12.7582 14.1072 14.1684 14.6239 14.7137 15.4513 15.5834 16.1552 16.4205 16.7443 16.9372 k = 0.1429-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5324 -42.5218 -18.9151 -18.9032 -18.7278 -18.7267 -18.6039 -18.5951 9.3791 9.9050 11.0595 11.4838 11.5526 11.6464 11.8589 12.3179 12.4046 12.4854 12.6234 12.7963 13.6712 13.9083 14.4819 14.6123 15.4767 15.5396 16.2658 16.4100 16.8208 16.9302 k = 0.1429-0.2997 0.2631 ( 1338 PWs) bands (ev): -42.5297 -42.5242 -18.9275 -18.9214 -18.7144 -18.7141 -18.6020 -18.5976 9.7798 10.1980 10.8740 11.2331 11.6595 11.7600 11.9540 12.3505 12.4399 12.5097 12.6076 12.7808 13.3719 13.6244 14.4103 14.5055 15.5621 15.5624 16.2186 16.2831 16.9048 16.9205 k = 0.1429-0.2997-0.3288 ( 1328 PWs) bands (ev): -42.5269 -42.5269 -18.9294 -18.9294 -18.7094 -18.7094 -18.5997 -18.5997 10.1480 10.1480 10.9400 10.9400 11.7566 11.7566 12.1456 12.1456 12.5773 12.5773 12.6154 12.6154 13.3982 13.3982 14.4264 14.4264 15.6357 15.6357 16.1362 16.1362 16.9319 16.9319 k = 0.2143 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.5328 -42.4947 -18.8900 -18.8832 -18.7313 -18.7294 -18.7009 -18.6892 7.8449 10.9135 11.0173 11.1996 11.2116 11.9770 12.0117 12.3892 12.4948 12.6355 12.9734 13.3301 13.4372 13.7270 14.9046 15.0267 15.6185 16.1581 16.2147 16.8477 17.2969 18.4682 k = 0.2143 0.0000 0.0658 ( 1349 PWs) bands (ev): -42.5319 -42.4956 -18.8877 -18.8798 -18.7358 -18.7269 -18.7042 -18.6898 7.9316 10.8927 11.0749 11.2341 11.2407 11.9889 12.0111 12.3105 12.5108 12.6195 12.8667 13.1776 13.4978 13.8717 14.9129 15.0168 15.6151 16.0765 16.1950 16.8524 17.1274 18.6890 k = 0.2143 0.0000 0.1315 ( 1333 PWs) bands (ev): -42.5290 -42.4982 -18.8810 -18.8698 -18.7456 -18.7235 -18.7138 -18.6923 8.1872 10.8608 11.1617 11.3321 11.3538 11.9685 12.0062 12.2106 12.4174 12.5720 12.7155 12.8099 13.7541 14.0678 14.9360 14.9953 15.6035 15.9341 16.1443 16.7256 16.8931 18.1581 k = 0.2143 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.5247 -42.5023 -18.8707 -18.8568 -18.7587 -18.7293 -18.7191 -18.6967 8.5978 10.7424 11.2110 11.4768 11.5689 11.8092 11.9974 12.1797 12.2481 12.2995 12.5451 12.7539 13.9820 14.2558 14.9809 14.9866 15.5855 15.8867 16.0979 16.4166 16.7293 17.4411 k = 0.2143 0.0000 0.2631 ( 1331 PWs) bands (ev): -42.5193 -42.5075 -18.8578 -18.8467 -18.7673 -18.7476 -18.7137 -18.7019 9.1366 10.3534 11.2809 11.5932 11.6539 11.8089 11.9804 12.0469 12.0980 12.2910 12.4914 12.5916 14.1707 14.3518 15.0273 15.0841 15.5765 15.9508 16.1255 16.1581 16.5009 16.8352 k = 0.2143 0.0000-0.3288 ( 1336 PWs) bands (ev): -42.5133 -42.5133 -18.8478 -18.8478 -18.7631 -18.7631 -18.7078 -18.7078 9.7550 9.7550 11.4155 11.4155 11.8039 11.8039 11.9917 11.9917 12.2205 12.2205 12.4566 12.4566 14.3065 14.3065 15.1082 15.1082 15.7269 15.7269 16.2581 16.2581 16.3884 16.3884 k = 0.2143 0.0599 0.0000 ( 1353 PWs) bands (ev): -42.5321 -42.4954 -18.8870 -18.8793 -18.7343 -18.7288 -18.7047 -18.6898 7.9157 10.9073 11.0423 11.2175 11.2215 11.9827 12.0029 12.3106 12.4782 12.6616 12.8669 13.0517 13.7041 13.8362 14.9200 15.0270 15.6070 16.1305 16.1432 16.8332 17.2076 18.1740 k = 0.2143 0.0599 0.0658 ( 1344 PWs) bands (ev): -42.5312 -42.4963 -18.8904 -18.8708 -18.7403 -18.7264 -18.7056 -18.6907 8.0012 10.8941 11.0916 11.2411 11.2575 11.9764 12.0131 12.2517 12.4917 12.6218 12.7443 13.2067 13.4455 14.0238 14.9256 15.0203 15.5978 16.0331 16.1419 16.8516 17.0456 18.3741 k = 0.2143 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5284 -42.4988 -18.8902 -18.8570 -18.7537 -18.7233 -18.7102 -18.6932 8.2533 10.8660 11.1771 11.3280 11.3615 11.9197 12.0328 12.1637 12.3883 12.5421 12.6707 12.9943 13.5338 14.2071 14.9331 15.0097 15.5666 15.8879 16.1034 16.7272 16.8713 18.2609 k = 0.2143 0.0599 0.1973 ( 1338 PWs) bands (ev): -42.5242 -42.5027 -18.8839 -18.8456 -18.7662 -18.7215 -18.7180 -18.6970 8.6577 10.7512 11.2175 11.4889 11.5131 11.8028 12.0116 12.0835 12.2890 12.3825 12.5553 12.7913 13.7956 14.3335 14.9418 15.0311 15.5071 15.8581 16.0592 16.4604 16.7645 17.5190 k = 0.2143 0.0599 0.2631 ( 1336 PWs) bands (ev): -42.5190 -42.5077 -18.8722 -18.8458 -18.7664 -18.7360 -18.7134 -18.7022 9.1872 10.3750 11.2669 11.5124 11.6677 11.8300 12.0019 12.0045 12.1945 12.2942 12.5008 12.6123 14.0460 14.3468 14.9831 15.1107 15.4751 15.9442 16.0191 16.3204 16.5752 16.8797 k = 0.2143 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.5133 -42.5133 -18.8578 -18.8578 -18.7533 -18.7533 -18.7078 -18.7078 9.7927 9.7927 11.3759 11.3759 11.8199 11.8199 12.0026 12.0026 12.2371 12.2371 12.4772 12.4772 14.2396 14.2396 15.0740 15.0740 15.6702 15.6702 16.3336 16.3336 16.4323 16.4323 k = 0.2143 0.1199 0.0000 ( 1341 PWs) bands (ev): -42.5300 -42.4974 -18.8781 -18.8682 -18.7428 -18.7271 -18.7158 -18.6918 8.1242 10.8315 11.1152 11.2542 11.2793 11.9522 11.9983 12.1514 12.4201 12.6635 12.6735 12.7910 14.0059 14.0572 14.9635 15.0318 15.5734 16.0000 16.0522 16.7430 17.0163 17.6191 k = 0.2143 0.1199 0.0658 ( 1341 PWs) bands (ev): -42.5292 -42.4982 -18.8886 -18.8551 -18.7528 -18.7248 -18.7115 -18.6925 8.2062 10.8407 11.1341 11.2685 11.3188 11.9141 12.0225 12.1315 12.4512 12.4962 12.6944 12.9420 13.6997 14.2480 14.9576 15.0315 15.5459 15.9194 16.0521 16.7765 16.8847 17.7961 k = 0.2143 0.1199 0.1315 ( 1343 PWs) bands (ev): -42.5268 -42.5004 -18.8969 -18.8418 -18.7669 -18.7218 -18.7072 -18.6946 8.4474 10.8429 11.1977 11.2959 11.4247 11.8438 12.0553 12.0714 12.3337 12.4907 12.6713 13.1778 13.2910 14.3730 14.9390 15.0319 15.4547 15.8128 16.0333 16.6730 16.8367 18.0587 k = 0.2143 0.1199 0.1973 ( 1342 PWs) bands (ev): -42.5230 -42.5039 -18.8979 -18.8436 -18.7673 -18.7179 -18.7091 -18.6980 8.8330 10.7560 11.2429 11.3282 11.5672 11.8070 11.9632 12.0781 12.2766 12.4736 12.5852 12.9329 13.4675 14.3879 14.9210 15.0680 15.3298 15.8205 16.0130 16.5226 16.8130 17.6584 k = 0.2143 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.5184 -42.5083 -18.8911 -18.8597 -18.7521 -18.7192 -18.7122 -18.7025 9.3343 10.4301 11.2355 11.3329 11.7228 11.8550 11.9685 12.0570 12.2692 12.3608 12.5229 12.6862 13.7764 14.2650 14.9301 15.1058 15.3352 15.8585 16.0567 16.4728 16.6998 16.9827 k = 0.2143 0.1199-0.3288 ( 1334 PWs) bands (ev): -42.5133 -42.5133 -18.8775 -18.8775 -18.7337 -18.7337 -18.7076 -18.7076 9.8999 9.8999 11.2774 11.2774 11.8517 11.8517 12.0292 12.0292 12.2787 12.2787 12.5386 12.5386 14.0514 14.0514 15.0015 15.0015 15.6067 15.6067 16.4237 16.4237 16.5634 16.5634 k = 0.2143 0.1798 0.0000 ( 1330 PWs) bands (ev): -42.5271 -42.5003 -18.8655 -18.8512 -18.7549 -18.7371 -18.7210 -18.6946 8.4570 10.5630 11.2269 11.3375 11.3612 11.8462 12.0182 12.0438 12.2843 12.5123 12.5938 12.6799 14.2832 14.3224 15.0216 15.0422 15.5259 15.8891 15.9397 16.5516 16.8262 17.0794 k = 0.2143 0.1798 0.0658 ( 1335 PWs) bands (ev): -42.5264 -42.5010 -18.8803 -18.8390 -18.7671 -18.7248 -18.7199 -18.6954 8.5329 10.5886 11.2118 11.3556 11.4001 11.8252 12.0188 12.0493 12.3097 12.4210 12.6608 12.7200 14.0062 14.4614 15.0013 15.0431 15.4732 15.8358 15.9586 16.5602 16.7629 17.2408 k = 0.2143 0.1798 0.1315 ( 1343 PWs) bands (ev): -42.5244 -42.5027 -18.8964 -18.8393 -18.7690 -18.7193 -18.7102 -18.6970 8.7557 10.6476 11.1883 11.3689 11.5027 11.8010 11.9575 12.0819 12.2788 12.4432 12.6513 12.8762 13.6118 14.4865 14.9640 15.0426 15.3216 15.8002 15.9660 16.5685 16.7626 17.4629 k = 0.2143 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5213 -42.5056 -18.9052 -18.8579 -18.7519 -18.7158 -18.7042 -18.6990 9.1088 10.6693 11.1571 11.3047 11.6364 11.8274 11.8934 12.1183 12.2612 12.4962 12.5779 13.0544 13.2806 14.3510 14.9103 15.1259 15.1689 15.8275 15.9917 16.5638 16.7970 17.4837 k = 0.2143 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.5174 -42.5092 -18.9050 -18.8800 -18.7320 -18.7121 -18.7062 -18.7020 9.5608 10.4839 11.1247 11.2082 11.7796 11.8884 11.9431 12.1273 12.2626 12.4378 12.5507 12.8386 13.4850 14.0931 14.8862 15.0344 15.3397 15.8893 16.0453 16.5923 16.7646 17.0172 k = 0.2143 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.5132 -42.5132 -18.8967 -18.8967 -18.7162 -18.7162 -18.7070 -18.7070 10.0558 10.0558 11.1493 11.1493 11.8834 11.8834 12.0601 12.0601 12.3136 12.3136 12.6434 12.6434 13.7946 13.7946 14.9297 14.9297 15.6365 15.6365 16.4375 16.4375 16.6950 16.6950 k = 0.2143 0.2398 0.0000 ( 1323 PWs) bands (ev): -42.5241 -42.5033 -18.8528 -18.8314 -18.7680 -18.7575 -18.7180 -18.6974 8.8798 10.1137 11.3524 11.4254 11.4422 11.8126 11.9618 12.0166 12.1254 12.4446 12.5292 12.6023 14.4562 14.6419 15.0365 15.0725 15.4826 15.8315 15.8491 16.3520 16.6397 16.6944 k = 0.2143 0.2398 0.0658 ( 1329 PWs) bands (ev): -42.5235 -42.5038 -18.8676 -18.8327 -18.7709 -18.7402 -18.7176 -18.6982 8.9470 10.1540 11.3165 11.4576 11.4691 11.8051 11.9273 12.0396 12.1685 12.3903 12.5878 12.6165 14.2699 14.6464 15.0252 15.0548 15.4307 15.8289 15.8606 16.3584 16.6279 16.8261 k = 0.2143 0.2398 0.1315 ( 1337 PWs) bands (ev): -42.5219 -42.5051 -18.8889 -18.8524 -18.7544 -18.7201 -18.7162 -18.6994 9.1430 10.2645 11.2352 11.4703 11.5621 11.7839 11.8778 12.0884 12.2318 12.3948 12.6054 12.7020 13.9045 14.5144 14.9823 15.0514 15.2955 15.7549 15.9969 16.4505 16.6598 16.9881 k = 0.2143 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.5195 -42.5073 -18.9046 -18.8770 -18.7325 -18.7139 -18.7068 -18.7007 9.4486 10.4068 11.1015 11.3680 11.6867 11.8084 11.8902 12.1502 12.2654 12.4690 12.5415 12.8846 13.5059 14.2334 14.9007 15.0430 15.2961 15.7418 16.1213 16.5762 16.7003 17.0374 k = 0.2143 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5165 -42.5101 -18.9116 -18.8973 -18.7151 -18.7103 -18.7049 -18.6983 9.8285 10.4593 10.9652 11.1855 11.8236 11.9015 11.9408 12.2126 12.2481 12.4052 12.6103 12.9819 13.3082 13.8875 14.8545 14.9595 15.4885 15.9247 16.0719 16.6432 16.7251 16.8691 k = 0.2143 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.5132 -42.5132 -18.9094 -18.9094 -18.7087 -18.7087 -18.7015 -18.7015 10.2168 10.2168 11.0212 11.0212 11.9092 11.9092 12.0845 12.0845 12.3202 12.3202 12.7756 12.7756 13.5532 13.5532 14.8777 14.8777 15.7842 15.7842 16.3276 16.3276 16.7680 16.7680 k = 0.2143-0.2997 0.0000 ( 1320 PWs) bands (ev): -42.5227 -42.5047 -18.8469 -18.8196 -18.7740 -18.7695 -18.7165 -18.6988 9.1969 9.7730 11.4197 11.4610 11.4779 11.8598 11.8840 11.9698 12.0906 12.4232 12.5254 12.5476 14.5236 14.8402 14.9879 15.0930 15.4635 15.7844 15.8374 16.3484 16.3772 16.6474 k = 0.2143-0.2997 0.0658 ( 1322 PWs) bands (ev): -42.5222 -42.5051 -18.8583 -18.8366 -18.7587 -18.7581 -18.7160 -18.6991 9.2557 9.8247 11.3778 11.4821 11.5128 11.8330 11.8613 12.0127 12.1278 12.3803 12.5554 12.5805 14.3797 14.7361 15.0027 15.0772 15.4424 15.7813 15.8454 16.3591 16.4402 16.7155 k = 0.2143-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5208 -42.5062 -18.8803 -18.8641 -18.7366 -18.7350 -18.7148 -18.7007 9.4257 9.9709 11.2689 11.5082 11.5950 11.7487 11.8771 12.0822 12.2124 12.3700 12.5800 12.6521 14.0440 14.4899 15.0093 15.0153 15.3810 15.6467 16.0953 16.4223 16.5329 16.8187 k = 0.2143-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5187 -42.5081 -18.8998 -18.8886 -18.7171 -18.7157 -18.7118 -18.7020 9.6866 10.1812 11.0966 11.3963 11.7184 11.7706 11.9121 12.1564 12.2974 12.4081 12.5382 12.8162 13.6445 14.1458 14.9025 14.9987 15.4851 15.5716 16.3530 16.4782 16.5946 16.8524 k = 0.2143-0.2997 0.2631 ( 1336 PWs) bands (ev): -42.5160 -42.5105 -18.9117 -18.9061 -18.7107 -18.7072 -18.7019 -18.7006 10.0006 10.3703 10.9171 11.1777 11.8612 11.8699 11.9564 12.2382 12.2899 12.3395 12.6485 12.9852 13.3234 13.7709 14.8435 14.9300 15.6927 15.7393 16.3284 16.4075 16.7198 16.8103 k = 0.2143-0.2997-0.3288 ( 1316 PWs) bands (ev): -42.5132 -42.5132 -18.9133 -18.9133 -18.7078 -18.7078 -18.6970 -18.6970 10.2950 10.2950 10.9577 10.9577 11.9204 11.9204 12.0935 12.0935 12.3171 12.3171 12.8507 12.8507 13.4400 13.4400 14.8590 14.8590 15.9473 15.9473 16.1708 16.1708 16.7891 16.7891 k = 0.2857 0.0000 0.0000 ( 1360 PWs) bands (ev): -42.5171 -42.4797 -18.8760 -18.8685 -18.8513 -18.8068 -18.7196 -18.6875 8.5551 11.1925 11.3857 11.4231 11.4295 11.8247 11.9036 12.3706 12.4166 12.5490 12.9173 13.1279 13.2372 13.5162 14.7784 15.2007 15.7169 15.7486 16.3273 16.8083 17.3352 19.2925 k = 0.2857 0.0000 0.0658 ( 1347 PWs) bands (ev): -42.5162 -42.4805 -18.8735 -18.8650 -18.8498 -18.8077 -18.7220 -18.6906 8.6299 11.2067 11.4120 11.4231 11.4452 11.8270 11.9268 12.2758 12.4255 12.5247 12.8868 12.9378 13.2346 13.7636 14.7951 15.1893 15.7143 15.7278 16.3073 16.8164 17.1787 19.5015 k = 0.2857 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5134 -42.4831 -18.8661 -18.8553 -18.8466 -18.8104 -18.7307 -18.7005 8.8502 11.2278 11.4378 11.4836 11.4923 11.8179 11.9536 12.1649 12.3427 12.4352 12.5327 12.8282 13.4631 14.0911 14.8389 15.1755 15.6699 15.7375 16.2595 16.7723 16.8679 18.7984 k = 0.2857 0.0000 0.1973 ( 1343 PWs) bands (ev): -42.5092 -42.4872 -18.8556 -18.8426 -18.8412 -18.8148 -18.7430 -18.7159 9.2045 11.1481 11.4969 11.5440 11.5764 11.7629 11.8750 12.1279 12.1993 12.2209 12.4159 12.6810 13.7644 14.4103 14.8893 15.1879 15.6036 15.8467 16.2207 16.4253 16.7425 17.8949 k = 0.2857 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.5039 -42.4923 -18.8427 -18.8356 -18.8309 -18.8201 -18.7516 -18.7338 9.6718 10.7701 11.5000 11.6083 11.6586 11.7254 11.8758 12.0850 12.1472 12.1815 12.3466 12.4570 14.0995 14.5643 15.0045 15.2120 15.5861 16.0143 16.1149 16.2431 16.5882 17.1330 k = 0.2857 0.0000-0.3288 ( 1350 PWs) bands (ev): -42.4981 -42.4981 -18.8342 -18.8342 -18.8259 -18.8259 -18.7485 -18.7485 10.2169 10.2169 11.5419 11.5419 11.7370 11.7370 11.9806 11.9806 12.2028 12.2028 12.2926 12.2926 14.4020 14.4020 15.1810 15.1810 15.7150 15.7150 16.3300 16.3300 16.5791 16.5791 k = 0.2857 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.5164 -42.4803 -18.8728 -18.8644 -18.8503 -18.8077 -18.7222 -18.6912 8.6170 11.2085 11.3679 11.4216 11.4534 11.8088 11.9078 12.2941 12.3960 12.5698 12.7643 12.9657 13.4122 13.7070 14.8075 15.1892 15.6918 15.7604 16.3064 16.7927 17.2472 18.8307 k = 0.2857 0.0599 0.0658 ( 1345 PWs) bands (ev): -42.5155 -42.4812 -18.8755 -18.8563 -18.8491 -18.8085 -18.7269 -18.6922 8.6897 11.2132 11.3809 11.4296 11.4708 11.8025 11.9375 12.2078 12.4098 12.5099 12.7284 13.0843 13.2031 13.8975 14.8212 15.1777 15.6557 15.7722 16.2846 16.8049 17.0994 19.0036 k = 0.2857 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.5129 -42.4837 -18.8749 -18.8456 -18.8426 -18.8111 -18.7388 -18.6971 8.9041 11.2192 11.3810 11.4561 11.5463 11.7857 11.9736 12.0925 12.3060 12.4523 12.5960 12.9345 13.3488 14.1721 14.8545 15.1709 15.5944 15.7967 16.2272 16.7778 16.8186 18.8942 k = 0.2857 0.0599 0.1973 ( 1342 PWs) bands (ev): -42.5088 -42.4876 -18.8684 -18.8409 -18.8308 -18.8151 -18.7506 -18.7072 9.2479 11.1212 11.3906 11.4586 11.6547 11.7683 11.8979 12.1003 12.1995 12.3531 12.4320 12.7234 13.6815 14.4422 14.8888 15.2012 15.5438 15.8833 16.1497 16.4720 16.7478 17.9672 k = 0.2857 0.0599 0.2631 ( 1338 PWs) bands (ev): -42.5037 -42.4925 -18.8565 -18.8358 -18.8288 -18.8204 -18.7510 -18.7221 9.6995 10.7472 11.4003 11.4424 11.7602 11.7944 11.9324 12.0885 12.1677 12.2294 12.3743 12.4953 14.0370 14.5393 15.0129 15.2332 15.5470 15.9394 16.1331 16.3294 16.6118 17.1799 k = 0.2857 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4981 -42.4981 -18.8428 -18.8428 -18.8262 -18.8262 -18.7388 -18.7388 10.2222 10.2222 11.4185 11.4185 11.8267 11.8267 12.0069 12.0069 12.2074 12.2074 12.3444 12.3444 14.3529 14.3529 15.1959 15.1959 15.6784 15.6784 16.3835 16.3835 16.6015 16.6015 k = 0.2857 0.1199 0.0000 ( 1338 PWs) bands (ev): -42.5144 -42.4823 -18.8641 -18.8532 -18.8472 -18.8099 -18.7305 -18.7030 8.7991 11.2542 11.2855 11.4229 11.5067 11.7346 11.9192 12.1803 12.3253 12.5521 12.5645 12.7704 13.6881 14.0303 14.8862 15.1790 15.6207 15.8010 16.2474 16.7186 17.0317 18.0924 k = 0.2857 0.1199 0.0658 ( 1340 PWs) bands (ev): -42.5136 -42.4831 -18.8735 -18.8465 -18.8407 -18.8107 -18.7391 -18.6983 8.8659 11.2173 11.2956 11.4292 11.5297 11.7295 11.9567 12.1025 12.3774 12.4242 12.6583 12.8429 13.5262 14.1514 14.8904 15.1701 15.5734 15.8245 16.2211 16.7259 16.9261 18.2412 k = 0.2857 0.1199 0.1315 ( 1340 PWs) bands (ev): -42.5112 -42.4853 -18.8811 -18.8435 -18.8273 -18.8130 -18.7521 -18.6938 9.0620 11.1928 11.2209 11.4325 11.6051 11.7404 11.9817 12.0584 12.2656 12.4481 12.6164 13.1099 13.2363 14.3427 14.8901 15.1833 15.4952 15.8602 16.1427 16.6779 16.7939 18.5322 k = 0.2857 0.1199 0.1973 ( 1345 PWs) bands (ev): -42.5076 -42.4887 -18.8819 -18.8395 -18.8275 -18.8168 -18.7521 -18.6959 9.3748 11.0356 11.1949 11.3747 11.6842 11.7939 11.9739 12.1189 12.1901 12.4535 12.4718 12.9405 13.4809 14.5008 14.9033 15.2474 15.4527 15.9045 16.0555 16.5251 16.7534 18.1192 k = 0.2857 0.1199 0.2631 ( 1343 PWs) bands (ev): -42.5030 -42.4931 -18.8748 -18.8454 -18.8315 -18.8212 -18.7374 -18.7051 9.7806 10.6921 11.2097 11.2869 11.7873 11.8700 12.0474 12.1055 12.2101 12.2934 12.4561 12.6830 13.8711 14.4574 15.0707 15.2777 15.4843 15.8320 16.1765 16.4526 16.6583 17.2849 k = 0.2857 0.1199-0.3288 ( 1344 PWs) bands (ev): -42.4980 -42.4980 -18.8617 -18.8617 -18.8265 -18.8265 -18.7200 -18.7200 10.2411 10.2411 11.2353 11.2353 11.8896 11.8896 12.0751 12.0751 12.2280 12.2280 12.5079 12.5079 14.2161 14.2161 15.2465 15.2465 15.6172 15.6172 16.4845 16.4845 16.6553 16.6553 k = 0.2857 0.1798 0.0000 ( 1333 PWs) bands (ev): -42.5115 -42.4852 -18.8517 -18.8436 -18.8363 -18.8132 -18.7426 -18.7209 9.0891 11.0107 11.3234 11.4400 11.5514 11.6882 11.9322 12.1271 12.1952 12.4399 12.4763 12.6489 13.9559 14.3936 14.9916 15.2022 15.5190 15.8841 16.1610 16.5618 16.7800 17.4070 k = 0.2857 0.1798 0.0658 ( 1339 PWs) bands (ev): -42.5109 -42.4858 -18.8653 -18.8427 -18.8249 -18.8137 -18.7531 -18.7100 9.1456 10.9773 11.2976 11.4410 11.5718 11.7038 11.9695 12.0474 12.3150 12.3413 12.5866 12.6527 13.8479 14.4503 14.9751 15.2011 15.4787 15.9023 16.1374 16.5201 16.7719 17.5321 k = 0.2857 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.5089 -42.4876 -18.8803 -18.8406 -18.8238 -18.8158 -18.7541 -18.6967 9.3112 10.9156 11.2081 11.4086 11.6148 11.7583 12.0101 12.0685 12.2387 12.4223 12.5763 12.8713 13.6013 14.5377 14.9342 15.2407 15.4148 15.8972 16.0737 16.5107 16.7539 17.7672 k = 0.2857 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.5059 -42.4904 -18.8884 -18.8447 -18.8338 -18.8183 -18.7379 -18.6903 9.5727 10.8341 11.0857 11.2904 11.6825 11.8337 12.0768 12.1322 12.2095 12.4325 12.5159 13.2302 13.3166 14.5079 14.9972 15.3017 15.4113 15.8357 16.0764 16.5257 16.7318 17.8844 k = 0.2857 0.1798 0.2631 ( 1340 PWs) bands (ev): -42.5021 -42.4940 -18.8883 -18.8638 -18.8307 -18.8220 -18.7180 -18.6921 9.9073 10.6212 11.0283 11.1557 11.7951 11.9184 12.0678 12.1929 12.2525 12.2924 12.6003 13.0088 13.6516 14.3157 15.2141 15.3110 15.4521 15.8184 16.1997 16.5373 16.6815 17.3291 k = 0.2857 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.4980 -42.4980 -18.8797 -18.8797 -18.8264 -18.8264 -18.7020 -18.7020 10.2775 10.2775 11.0642 11.0642 11.9150 11.9150 12.1006 12.1006 12.2724 12.2724 12.7677 12.7677 14.0199 14.0199 15.3159 15.3159 15.6315 15.6315 16.5587 16.5587 16.6871 16.6871 k = 0.2857 0.2398 0.0000 ( 1337 PWs) bands (ev): -42.5086 -42.4880 -18.8393 -18.8392 -18.8211 -18.8135 -18.7557 -18.7413 9.4551 10.5817 11.3982 11.4704 11.5565 11.7391 11.9283 12.0766 12.1032 12.3772 12.4096 12.5596 14.1669 14.7661 15.0759 15.2167 15.4299 16.0303 16.0700 16.3806 16.5751 16.8382 k = 0.2857 0.2398 0.0658 ( 1342 PWs) bands (ev): -42.5081 -42.4885 -18.8530 -18.8389 -18.8191 -18.8172 -18.7567 -18.7263 9.4969 10.5749 11.3460 11.4692 11.5601 11.7558 11.9812 12.0122 12.2222 12.3212 12.4903 12.5593 14.0982 14.7702 15.0391 15.2265 15.4082 15.9907 16.1006 16.3032 16.6465 16.9370 k = 0.2857 0.2398 0.1315 ( 1338 PWs) bands (ev): -42.5065 -42.4899 -18.8729 -18.8407 -18.8328 -18.8187 -18.7402 -18.7065 9.6192 10.5683 11.2193 11.3879 11.5959 11.8058 12.0466 12.1002 12.2326 12.3559 12.5330 12.7040 13.9154 14.6707 15.0404 15.2810 15.3855 15.8343 16.1724 16.3504 16.6775 17.1320 k = 0.2857 0.2398 0.1973 ( 1336 PWs) bands (ev): -42.5042 -42.4920 -18.8877 -18.8613 -18.8326 -18.8204 -18.7188 -18.6924 9.8123 10.5727 11.0426 11.2321 11.6755 11.8760 12.1085 12.2000 12.2245 12.3704 12.5795 13.0260 13.6652 14.4214 15.1934 15.3203 15.4311 15.7397 16.2186 16.4747 16.6761 17.2463 k = 0.2857 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5012 -42.4948 -18.8943 -18.8803 -18.8293 -18.8228 -18.7006 -18.6865 10.0581 10.5266 10.9022 11.0644 11.7973 11.9572 12.0790 12.1892 12.2780 12.3161 12.7926 13.2861 13.4890 14.1233 15.3123 15.3986 15.4787 15.9286 16.2097 16.5707 16.6576 17.0749 k = 0.2857 0.2398-0.3288 ( 1334 PWs) bands (ev): -42.4980 -42.4980 -18.8918 -18.8918 -18.8260 -18.8260 -18.6894 -18.6894 10.3229 10.3229 10.9324 10.9324 11.9366 11.9366 12.0857 12.0857 12.3122 12.3122 13.0565 13.0565 13.7946 13.7946 15.3358 15.3358 15.8251 15.8251 16.5202 16.5202 16.6557 16.6557 k = 0.2857-0.2997 0.0000 ( 1342 PWs) bands (ev): -42.5073 -42.4894 -18.8372 -18.8331 -18.8207 -18.8050 -18.7619 -18.7532 9.7217 10.2828 11.4356 11.4889 11.5524 11.7736 11.9082 12.0426 12.0921 12.3561 12.3852 12.5207 14.2532 15.0278 15.0996 15.1319 15.4009 16.0246 16.1418 16.4074 16.4590 16.4938 k = 0.2857-0.2997 0.0658 ( 1344 PWs) bands (ev): -42.5068 -42.4898 -18.8445 -18.8370 -18.8215 -18.8202 -18.7462 -18.7426 9.7496 10.2960 11.3708 11.5008 11.5302 11.7870 11.9924 11.9930 12.1818 12.3224 12.4442 12.5281 14.1974 14.9484 15.1216 15.1413 15.3924 15.9904 16.0814 16.4357 16.4664 16.6401 k = 0.2857-0.2997 0.1315 ( 1336 PWs) bands (ev): -42.5055 -42.4909 -18.8645 -18.8493 -18.8336 -18.8203 -18.7221 -18.7220 9.8332 10.3383 11.2277 11.3774 11.5868 11.8311 12.0370 12.1624 12.2298 12.2975 12.5200 12.6422 14.0498 14.6873 15.1861 15.2457 15.3852 15.7641 16.2414 16.4820 16.4951 16.8276 k = 0.2857-0.2997 0.1973 ( 1338 PWs) bands (ev): -42.5034 -42.4928 -18.8829 -18.8724 -18.8317 -18.8213 -18.7032 -18.7020 9.9703 10.4065 11.0297 11.2115 11.6723 11.8967 12.1206 12.1995 12.2524 12.3434 12.6273 12.9217 13.8469 14.3369 15.3091 15.3370 15.5192 15.5871 16.4431 16.4991 16.5232 16.9066 k = 0.2857-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5008 -42.4952 -18.8938 -18.8885 -18.8287 -18.8230 -18.6898 -18.6892 10.1516 10.4527 10.8616 11.0308 11.7975 11.9741 12.1166 12.1293 12.2964 12.3299 12.9299 13.2136 13.6228 13.9730 15.3218 15.3832 15.6748 15.8720 16.4071 16.5224 16.6051 16.7992 k = 0.2857-0.2997-0.3288 ( 1332 PWs) bands (ev): -42.4980 -42.4980 -18.8961 -18.8961 -18.8260 -18.8260 -18.6850 -18.6850 10.3466 10.3466 10.8792 10.8792 11.9485 11.9485 12.0725 12.0725 12.3269 12.3269 13.2311 13.2311 13.6457 13.6457 15.3329 15.3329 16.0534 16.0534 16.3312 16.3312 16.6566 16.6566 k = 0.3571 0.0000 0.0000 ( 1350 PWs) bands (ev): -42.5029 -42.4660 -18.9603 -18.9103 -18.8629 -18.8544 -18.7083 -18.6759 9.3741 11.3386 11.4725 11.5776 11.6748 11.8666 11.8946 12.3030 12.3551 12.5827 12.8491 12.8736 13.0452 13.5515 14.6448 15.1251 15.3857 15.4227 16.7649 17.0769 17.3730 19.6629 k = 0.3571 0.0000 0.0658 ( 1352 PWs) bands (ev): -42.5020 -42.4669 -18.9590 -18.9116 -18.8605 -18.8512 -18.7110 -18.6793 9.4289 11.3258 11.4788 11.5822 11.6790 11.7779 12.0228 12.2263 12.3766 12.5394 12.6891 12.9232 13.0278 13.7256 14.6760 15.0512 15.3968 15.5299 16.7762 17.0512 17.2310 19.7469 k = 0.3571 0.0000 0.1315 ( 1346 PWs) bands (ev): -42.4993 -42.4695 -18.9547 -18.9145 -18.8528 -18.8419 -18.7192 -18.6893 9.5900 11.3072 11.4899 11.5636 11.6884 11.7295 12.1258 12.1412 12.3342 12.3729 12.5096 12.7987 13.2684 14.0347 14.7585 14.9959 15.3322 15.7845 16.7977 16.8913 16.9822 19.4726 k = 0.3571 0.0000 0.1973 ( 1341 PWs) bands (ev): -42.4952 -42.4735 -18.9483 -18.9188 -18.8415 -18.8295 -18.7298 -18.7045 9.8483 11.2759 11.4472 11.4886 11.7000 11.7447 11.9412 12.1081 12.2890 12.3314 12.4722 12.6134 13.6225 14.3573 14.8199 15.0045 15.2976 16.0682 16.4839 16.8041 16.8905 18.4431 k = 0.3571 0.0000 0.2631 ( 1342 PWs) bands (ev): -42.4900 -42.4786 -18.9404 -18.9250 -18.8282 -18.8194 -18.7385 -18.7217 10.1887 11.0014 11.4042 11.4682 11.7156 11.7685 11.8699 12.1211 12.1860 12.2290 12.5116 12.5333 14.0042 14.5644 14.8123 15.0261 15.4111 16.0297 16.4515 16.7848 16.8082 17.5821 k = 0.3571 0.0000-0.3288 ( 1346 PWs) bands (ev): -42.4843 -42.4843 -18.9325 -18.9325 -18.8190 -18.8190 -18.7357 -18.7357 10.5880 10.5880 11.4363 11.4363 11.7377 11.7377 11.9969 11.9969 12.1655 12.1655 12.5286 12.5286 14.3543 14.3543 14.9712 14.9712 15.6659 15.6659 16.7684 16.7684 16.9239 16.9239 k = 0.3571 0.0599 0.0000 ( 1351 PWs) bands (ev): -42.5022 -42.4667 -18.9596 -18.9115 -18.8598 -18.8502 -18.7114 -18.6799 9.4208 11.3435 11.4542 11.5513 11.6529 11.8683 11.9080 12.2759 12.3330 12.5952 12.6188 12.9362 13.1377 13.6982 14.6865 15.0530 15.3617 15.5658 16.7485 17.0473 17.2873 19.3795 k = 0.3571 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.5013 -42.4676 -18.9580 -18.9124 -18.8622 -18.8429 -18.7159 -18.6811 9.4720 11.3004 11.4782 11.5721 11.6556 11.7634 12.0150 12.1614 12.3651 12.5428 12.6944 12.9312 13.0636 13.8312 14.7149 14.9849 15.4963 15.5423 16.7596 16.9850 17.1931 19.4985 k = 0.3571 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.4988 -42.4700 -18.9534 -18.9152 -18.8609 -18.8295 -18.7267 -18.6858 9.6224 11.2487 11.4827 11.5593 11.6591 11.6870 11.9647 12.1969 12.3440 12.5005 12.5707 12.8724 13.2098 14.0963 14.7783 14.9490 15.4648 15.7552 16.7418 16.7939 17.0453 19.5137 k = 0.3571 0.0599 0.1973 ( 1339 PWs) bands (ev): -42.4948 -42.4739 -18.9472 -18.9193 -18.8542 -18.8182 -18.7376 -18.6956 9.8630 11.2170 11.3340 11.4430 11.6817 11.7215 11.9290 12.1951 12.2955 12.4839 12.5119 12.6619 13.5885 14.3931 14.7877 15.0364 15.3937 16.0402 16.4054 16.7942 16.9260 18.4733 k = 0.3571 0.0599 0.2631 ( 1342 PWs) bands (ev): -42.4898 -42.4788 -18.9401 -18.9252 -18.8420 -18.8174 -18.7382 -18.7102 10.1793 10.9397 11.2680 11.3757 11.7372 11.8082 11.9038 12.0994 12.2550 12.3961 12.5516 12.5703 13.9881 14.5612 14.8187 15.0982 15.4456 15.9989 16.4239 16.7784 16.8330 17.5898 k = 0.3571 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4842 -42.4842 -18.9321 -18.9321 -18.8280 -18.8280 -18.7262 -18.7262 10.5497 10.5497 11.3121 11.3121 11.8122 11.8122 11.9622 11.9622 12.2895 12.2895 12.5720 12.5720 14.3436 14.3436 15.0192 15.0192 15.6689 15.6689 16.7688 16.7688 16.9186 16.9186 k = 0.3571 0.1199 0.0000 ( 1349 PWs) bands (ev): -42.5003 -42.4687 -18.9562 -18.9142 -18.8516 -18.8391 -18.7197 -18.6918 9.5578 11.3586 11.3875 11.5083 11.5608 11.8719 11.9182 12.2462 12.2566 12.4455 12.6122 12.7728 13.4243 13.9868 14.8018 14.9929 15.2949 15.8281 16.6951 16.9581 17.0642 18.6249 k = 0.3571 0.1199 0.0658 ( 1345 PWs) bands (ev): -42.4995 -42.4694 -18.9546 -18.9149 -18.8600 -18.8274 -18.7278 -18.6872 9.5980 11.2400 11.4249 11.5499 11.5760 11.7466 11.9643 12.1267 12.3590 12.5429 12.6781 12.7444 13.3642 14.0660 14.8169 14.9320 15.4297 15.7978 16.6980 16.8050 17.1038 18.7172 k = 0.3571 0.1199 0.1315 ( 1339 PWs) bands (ev): -42.4972 -42.4716 -18.9507 -18.9171 -18.8668 -18.8145 -18.7398 -18.6825 9.7169 11.1278 11.3857 11.4339 11.5980 11.6924 11.9882 12.1350 12.4223 12.5756 12.5870 13.0708 13.2106 14.2541 14.7919 14.9786 15.6379 15.7509 16.5137 16.7534 17.0610 18.9266 k = 0.3571 0.1199 0.1973 ( 1341 PWs) bands (ev): -42.4936 -42.4750 -18.9453 -18.9206 -18.8671 -18.8152 -18.7395 -18.6844 9.9083 11.0604 11.1299 11.3207 11.6429 11.7192 12.0688 12.1339 12.3507 12.5885 12.6273 12.9992 13.5083 14.4939 14.7632 15.1349 15.5735 15.9796 16.2434 16.7704 16.9555 18.5460 k = 0.3571 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4891 -42.4794 -18.9387 -18.9256 -18.8597 -18.8296 -18.7253 -18.6931 10.1623 10.7915 11.0684 11.2082 11.7417 11.7840 12.0090 12.0789 12.3647 12.6304 12.6855 12.8006 13.9476 14.5602 14.8947 15.2505 15.5350 15.9295 16.3581 16.7711 16.8493 17.6129 k = 0.3571 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4842 -42.4842 -18.9318 -18.9318 -18.8465 -18.8465 -18.7078 -18.7078 10.4639 10.4639 11.1170 11.1170 11.8434 11.8434 11.9505 11.9505 12.5206 12.5206 12.7268 12.7268 14.3239 14.3239 15.1509 15.1509 15.6812 15.6812 16.7350 16.7350 16.9235 16.9235 k = 0.3571 0.1798 0.0000 ( 1340 PWs) bands (ev): -42.4975 -42.4714 -18.9512 -18.9184 -18.8393 -18.8219 -18.7318 -18.7090 9.7732 11.2194 11.3823 11.4080 11.4854 11.8707 11.9599 12.1404 12.2257 12.3556 12.6017 12.6757 13.6960 14.3182 14.9572 15.0001 15.2054 16.1074 16.6173 16.7821 16.8086 17.9015 k = 0.3571 0.1798 0.0658 ( 1342 PWs) bands (ev): -42.4968 -42.4720 -18.9500 -18.9189 -18.8516 -18.8116 -18.7413 -18.6985 9.7955 11.1033 11.3504 11.3899 11.5771 11.7836 11.9566 12.0850 12.3644 12.5018 12.5932 12.6725 13.6831 14.3607 14.8889 15.0108 15.3313 16.0765 16.5219 16.6547 16.9732 17.9493 k = 0.3571 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.4949 -42.4738 -18.9468 -18.9204 -18.8657 -18.8114 -18.7419 -18.6852 9.8645 10.9481 11.2288 11.3097 11.5869 11.7367 12.0555 12.0929 12.4323 12.5846 12.6342 12.9220 13.6331 14.4741 14.8069 15.1092 15.5305 16.0012 16.2877 16.6851 17.0091 18.0789 k = 0.3571 0.1798 0.1973 ( 1339 PWs) bands (ev): -42.4920 -42.4766 -18.9424 -18.9229 -18.8733 -18.8283 -18.7259 -18.6787 9.9847 10.8230 11.0121 11.1853 11.6214 11.7454 12.0380 12.2773 12.3087 12.6683 12.7521 13.2502 13.6066 14.6147 14.8227 15.2848 15.6425 15.9648 16.1331 16.7175 16.9268 18.1962 k = 0.3571 0.1798 0.2631 ( 1342 PWs) bands (ev): -42.4883 -42.4802 -18.9373 -18.9268 -18.8728 -18.8483 -18.7060 -18.6806 10.1582 10.6278 10.9095 11.0491 11.7185 11.7977 11.9714 12.0917 12.5229 12.7207 12.8804 13.1926 13.9253 14.5625 15.0678 15.4432 15.6260 15.8626 16.3062 16.7291 16.8109 17.6077 k = 0.3571 0.1798-0.3288 ( 1346 PWs) bands (ev): -42.4842 -42.4842 -18.9316 -18.9316 -18.8642 -18.8642 -18.6903 -18.6903 10.3797 10.3797 10.9455 10.9455 11.8323 11.8323 11.9372 11.9372 12.6800 12.6800 13.0206 13.0206 14.3050 14.3050 15.3578 15.3578 15.7097 15.7097 16.6556 16.6556 16.9155 16.9155 k = 0.3571 0.2398 0.0000 ( 1344 PWs) bands (ev): -42.4947 -42.4742 -18.9461 -18.9231 -18.8269 -18.8027 -18.7447 -18.7293 10.0380 10.9180 11.3519 11.4077 11.4596 11.8547 12.0328 12.0602 12.1819 12.3079 12.5478 12.6691 13.9104 14.6403 15.0159 15.0186 15.2073 16.3282 16.5284 16.6141 16.6258 17.3192 k = 0.3571 0.2398 0.0658 ( 1340 PWs) bands (ev): -42.4942 -42.4747 -18.9452 -18.9232 -18.8390 -18.8052 -18.7450 -18.7145 10.0352 10.8492 11.3063 11.3190 11.5700 11.8413 11.9616 12.0269 12.3548 12.4387 12.5251 12.6858 13.9356 14.6772 14.9059 15.0985 15.2748 16.2221 16.4178 16.6178 16.8098 17.3165 k = 0.3571 0.2398 0.1315 ( 1343 PWs) bands (ev): -42.4926 -42.4761 -18.9429 -18.9241 -18.8579 -18.8235 -18.7287 -18.6951 10.0407 10.7262 11.1503 11.2254 11.5826 11.7943 11.9746 12.1854 12.4046 12.5990 12.6487 12.8272 13.9951 14.6966 14.8618 15.2070 15.4261 16.0092 16.3710 16.6329 16.9090 17.3592 k = 0.3571 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.4903 -42.4783 -18.9394 -18.9256 -18.8721 -18.8459 -18.7070 -18.6812 10.0814 10.6219 10.9401 11.0851 11.6106 11.7767 11.9958 12.2093 12.4884 12.6996 12.8653 13.1427 14.0285 14.6186 15.0147 15.4149 15.5783 15.8603 16.3124 16.6687 16.8309 17.4415 k = 0.3571 0.2398 0.2631 ( 1339 PWs) bands (ev): -42.4874 -42.4811 -18.9354 -18.9280 -18.8785 -18.8647 -18.6890 -18.6751 10.1760 10.4980 10.8076 10.9373 11.7041 11.8090 11.9526 12.0452 12.6733 12.7693 13.0906 13.3688 14.0626 14.5091 15.3165 15.6149 15.6906 15.8326 16.3443 16.6519 16.7084 17.3043 k = 0.3571 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.4842 -42.4842 -18.9313 -18.9313 -18.8758 -18.8758 -18.6779 -18.6779 10.3253 10.3253 10.8279 10.8279 11.8282 11.8282 11.9097 11.9097 12.7686 12.7686 13.2994 13.2994 14.2804 14.2804 15.6178 15.6178 15.7702 15.7702 16.5747 16.5747 16.7890 16.7890 k = 0.3571-0.2997 0.0000 ( 1346 PWs) bands (ev): -42.4934 -42.4755 -18.9436 -18.9252 -18.8209 -18.7921 -18.7508 -18.7409 10.2164 10.7181 11.3383 11.4198 11.4489 11.8407 12.0379 12.1002 12.1260 12.2912 12.5247 12.6728 13.9984 14.8334 14.9730 14.9866 15.2687 16.4175 16.4351 16.4497 16.8618 16.9190 k = 0.3571-0.2997 0.0658 ( 1342 PWs) bands (ev): -42.4929 -42.4759 -18.9427 -18.9255 -18.8307 -18.8086 -18.7344 -18.7306 10.1918 10.6777 11.2972 11.2976 11.5659 11.8913 11.9307 12.0090 12.3416 12.4217 12.5042 12.6932 14.0373 14.8843 14.9325 14.9960 15.3098 16.1554 16.4846 16.7003 16.8291 16.8857 k = 0.3571-0.2997 0.1315 ( 1342 PWs) bands (ev): -42.4916 -42.4771 -18.9407 -18.9259 -18.8496 -18.8345 -18.7108 -18.7105 10.1492 10.5984 11.1291 11.1942 11.5815 11.8399 11.9209 12.2088 12.4368 12.5471 12.6572 12.8112 14.1523 14.7385 15.0612 15.0850 15.4237 15.9324 16.5720 16.7299 16.7926 16.9325 k = 0.3571-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4895 -42.4790 -18.9379 -18.9269 -18.8670 -18.8572 -18.6917 -18.6903 10.1399 10.5285 10.9153 11.0485 11.6073 11.7928 11.9801 12.1747 12.6082 12.6693 12.9356 13.0519 14.3092 14.5074 15.1881 15.3684 15.5867 15.7957 16.6083 16.6346 16.6904 17.0445 k = 0.3571-0.2997 0.2631 ( 1340 PWs) bands (ev): -42.4870 -42.4814 -18.9346 -18.9287 -18.8780 -18.8730 -18.6786 -18.6776 10.1926 10.4431 10.7722 10.8970 11.6990 11.8140 11.9545 12.0138 12.7508 12.7636 13.2686 13.2874 14.3043 14.3538 15.4847 15.6143 15.7541 15.8403 16.5129 16.5206 16.6780 16.9516 k = 0.3571-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4842 -42.4842 -18.9314 -18.9314 -18.8800 -18.8800 -18.6736 -18.6736 10.3075 10.3075 10.7858 10.7858 11.8301 11.8301 11.8944 11.8944 12.7983 12.7983 13.4147 13.4147 14.2640 14.2640 15.7104 15.7104 15.8978 15.8978 16.5353 16.5353 16.6288 16.6288 k = 0.4286 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.4931 -42.4566 -19.0349 -18.9818 -18.8547 -18.8450 -18.7008 -18.6680 10.1876 11.4048 11.4196 11.5797 11.6657 11.8612 12.0744 12.2207 12.3187 12.6656 12.7894 12.8853 13.0341 13.4986 14.5345 14.8036 15.1857 15.2092 16.7286 17.3985 17.7209 19.3588 k = 0.4286 0.0000 0.0658 ( 1346 PWs) bands (ev): -42.4922 -42.4575 -19.0336 -18.9825 -18.8510 -18.8415 -18.7031 -18.6714 10.2106 11.3713 11.3903 11.5850 11.6457 11.8501 12.1433 12.1715 12.3793 12.5269 12.8738 12.8931 12.9593 13.6218 14.5902 14.7189 15.1757 15.4067 16.7387 17.2695 17.6914 19.3691 k = 0.4286 0.0000 0.1315 ( 1343 PWs) bands (ev): -42.4895 -42.4600 -19.0288 -18.9852 -18.8435 -18.8326 -18.7109 -18.6814 10.2804 11.2850 11.3516 11.5671 11.6065 11.8231 12.1139 12.2102 12.3062 12.5076 12.7321 12.8913 13.1959 13.8564 14.6359 14.7290 15.0875 15.8448 16.7641 16.9484 17.5997 19.3858 k = 0.4286 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.4855 -42.4640 -19.0215 -18.9897 -18.8316 -18.8203 -18.7209 -18.6964 10.4000 11.2147 11.3033 11.3858 11.6514 11.7900 12.0905 12.1148 12.2351 12.4245 12.7509 12.9835 13.5511 14.1082 14.5952 14.7937 15.0697 16.3423 16.5234 16.8513 17.4505 19.1556 k = 0.4286 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.4803 -42.4691 -19.0131 -18.9962 -18.8186 -18.8103 -18.7293 -18.7134 10.5736 11.0658 11.2317 11.2590 11.7235 11.8171 11.9919 12.0701 12.2035 12.2279 12.9282 13.0610 13.9306 14.3399 14.5679 14.5997 15.2962 16.0500 16.8418 17.0371 17.2571 18.2822 k = 0.4286 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4747 -42.4747 -19.0044 -19.0044 -18.8096 -18.8096 -18.7266 -18.7266 10.8019 10.8019 11.2291 11.2291 11.8149 11.8149 11.9706 11.9706 12.1840 12.1840 13.0459 13.0459 14.2852 14.2852 14.5090 14.5090 15.6341 15.6341 17.0528 17.0528 17.5837 17.5837 k = 0.4286 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.4924 -42.4573 -19.0340 -18.9827 -18.8512 -18.8406 -18.7037 -18.6719 10.2096 11.3748 11.4164 11.5481 11.6156 11.8580 12.1225 12.2178 12.3027 12.4925 12.9200 12.9434 12.9986 13.6098 14.5868 14.7237 15.1638 15.4123 16.7189 17.3158 17.6651 19.3293 k = 0.4286 0.0599 0.0658 ( 1351 PWs) bands (ev): -42.4915 -42.4581 -19.0325 -18.9835 -18.8529 -18.8337 -18.7080 -18.6733 10.2259 11.2900 11.4252 11.5686 11.6146 11.8558 12.0233 12.1518 12.4073 12.6319 12.8223 12.9174 13.0235 13.7011 14.6370 14.6525 15.3438 15.4015 16.7257 17.1716 17.6725 19.3368 k = 0.4286 0.0599 0.1315 ( 1343 PWs) bands (ev): -42.4890 -42.4606 -19.0278 -18.9859 -18.8514 -18.8205 -18.7185 -18.6780 10.2776 11.1865 11.3799 11.5696 11.5922 11.7326 11.9515 12.1790 12.4925 12.6249 12.8004 12.9386 13.1642 13.9053 14.5682 14.7858 15.2658 15.8009 16.7267 16.8805 17.6230 19.3431 k = 0.4286 0.0599 0.1973 ( 1340 PWs) bands (ev): -42.4851 -42.4644 -19.0207 -18.9903 -18.8442 -18.8094 -18.7287 -18.6878 10.3727 11.1236 11.2678 11.3468 11.6359 11.7009 11.9970 12.1490 12.3438 12.6072 12.8290 13.0475 13.5416 14.1436 14.5283 14.9193 15.1643 16.2944 16.4561 16.8390 17.4883 19.1005 k = 0.4286 0.0599 0.2631 ( 1337 PWs) bands (ev): -42.4801 -42.4693 -19.0126 -18.9964 -18.8321 -18.8081 -18.7291 -18.7018 10.5210 10.9926 11.1168 11.2244 11.7134 11.7809 11.9453 12.0633 12.2737 12.4519 13.0176 13.1372 13.9453 14.3754 14.4898 14.7801 15.3302 16.0271 16.8192 16.9924 17.2902 18.2170 k = 0.4286 0.0599-0.3288 ( 1342 PWs) bands (ev): -42.4747 -42.4747 -19.0040 -19.0040 -18.8185 -18.8185 -18.7178 -18.7178 10.7291 10.7291 11.1520 11.1520 11.8238 11.8238 11.9132 11.9132 12.3395 12.3395 13.1320 13.1320 14.2925 14.2925 14.5853 14.5853 15.6424 15.6424 17.0635 17.0635 17.5181 17.5181 k = 0.4286 0.1199 0.0000 ( 1356 PWs) bands (ev): -42.4905 -42.4592 -19.0307 -18.9856 -18.8428 -18.8297 -18.7122 -18.6839 10.2736 11.2995 11.4086 11.4631 11.4994 11.8471 12.1853 12.2400 12.2631 12.3429 12.7787 13.0149 13.2714 13.8334 14.6373 14.7314 15.1010 15.8325 16.6915 17.0916 17.4924 19.1480 k = 0.4286 0.1199 0.0658 ( 1350 PWs) bands (ev): -42.4897 -42.4599 -19.0291 -18.9862 -18.8507 -18.8183 -18.7200 -18.6794 10.2710 11.1927 11.3673 11.4750 11.5887 11.8499 11.9054 12.1309 12.5077 12.6359 12.6823 13.0207 13.2755 13.8844 14.5747 14.7816 15.2817 15.7867 16.6821 16.9496 17.5705 19.1497 k = 0.4286 0.1199 0.1315 ( 1345 PWs) bands (ev): -42.4874 -42.4621 -19.0248 -18.9882 -18.8570 -18.8058 -18.7314 -18.6749 10.2749 11.0498 11.3078 11.4178 11.5780 11.6307 12.0236 12.0930 12.4822 12.7826 12.9863 13.1219 13.2264 14.0332 14.5106 14.9186 15.6464 15.6801 16.5622 16.7995 17.6219 19.1415 k = 0.4286 0.1199 0.1973 ( 1344 PWs) bands (ev): -42.4839 -42.4655 -19.0186 -18.9922 -18.8568 -18.8059 -18.7308 -18.6766 10.3109 10.9617 11.1030 11.2201 11.5969 11.6446 12.0415 12.1753 12.3050 12.9601 13.0466 13.2512 13.5479 14.2487 14.4989 15.0905 15.4528 16.1596 16.2905 16.8093 17.5474 18.9504 k = 0.4286 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4795 -42.4698 -19.0112 -18.9974 -18.8493 -18.8197 -18.7167 -18.6850 10.4030 10.7995 10.9552 11.0950 11.6959 11.7121 11.9421 12.0350 12.4277 12.8049 13.2417 13.3397 14.0035 14.4630 14.5427 15.0501 15.4310 15.9695 16.7064 16.9087 17.3547 18.0393 k = 0.4286 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4747 -42.4747 -19.0038 -19.0038 -18.8363 -18.8363 -18.6995 -18.6995 10.5657 10.5657 10.9994 10.9994 11.8052 11.8052 11.8619 11.8619 12.6181 12.6181 13.3463 13.3463 14.3559 14.3559 14.7824 14.7824 15.6686 15.6686 17.0815 17.0815 17.3316 17.3316 k = 0.4286 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4877 -42.4619 -19.0252 -18.9899 -18.8303 -18.8125 -18.7242 -18.7008 10.3723 11.2008 11.2996 11.4004 11.4294 11.8265 12.1383 12.1750 12.2826 12.3996 12.6472 13.1166 13.5330 14.0814 14.5947 14.9307 15.0176 16.3277 16.6749 16.7961 17.2142 18.6436 k = 0.4286 0.1798 0.0658 ( 1352 PWs) bands (ev): -42.4871 -42.4625 -19.0240 -18.9908 -18.8425 -18.8028 -18.7331 -18.6906 10.3418 11.0916 11.2699 11.2981 11.6017 11.8195 11.9144 12.0898 12.5053 12.5979 12.6587 13.1368 13.5857 14.1114 14.5532 14.9711 15.1529 16.2737 16.5724 16.7559 17.3412 18.6045 k = 0.4286 0.1798 0.1315 ( 1349 PWs) bands (ev): -42.4852 -42.4643 -19.0206 -18.9920 -18.8559 -18.8024 -18.7338 -18.6776 10.2824 10.9201 11.1642 11.2037 11.5833 11.6784 11.9964 12.1304 12.4070 12.8824 12.9872 13.2367 13.6810 14.2153 14.5180 15.0926 15.4685 16.1179 16.3455 16.7542 17.5033 18.5019 k = 0.4286 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.4823 -42.4671 -19.0154 -18.9946 -18.8627 -18.8185 -18.7174 -18.6709 10.2503 10.7896 10.9236 11.0848 11.5710 11.6632 11.9669 12.1958 12.4014 13.0521 13.2854 13.4693 13.8248 14.4186 14.5619 15.2668 15.7349 16.0257 16.1297 16.7686 17.5265 18.3883 k = 0.4286 0.1798 0.2631 ( 1338 PWs) bands (ev): -42.4787 -42.4707 -19.0092 -18.9984 -18.8620 -18.8379 -18.6978 -18.6726 10.2843 10.5961 10.8193 10.9538 11.6579 11.7024 11.8893 11.9970 12.6490 13.0244 13.4765 13.5926 14.1763 14.6185 14.7460 15.3374 15.5910 15.9123 16.4835 16.8310 17.3485 17.8176 k = 0.4286 0.1798-0.3288 ( 1342 PWs) bands (ev): -42.4746 -42.4746 -19.0036 -19.0036 -18.8535 -18.8535 -18.6819 -18.6819 10.4011 10.4011 10.8542 10.8542 11.7710 11.7710 11.8247 11.8247 12.8697 12.8697 13.5767 13.5767 14.5309 14.5309 15.0614 15.0614 15.7208 15.7208 17.0112 17.0112 17.1050 17.1050 k = 0.4286 0.2398 0.0000 ( 1355 PWs) bands (ev): -42.4850 -42.4646 -19.0200 -18.9951 -18.8181 -18.7936 -18.7371 -18.7209 10.4871 11.0599 11.1975 11.3841 11.3949 11.8010 12.0740 12.1609 12.2522 12.4992 12.5854 13.1921 13.7386 14.2959 14.5729 14.8998 15.1662 16.5150 16.5737 16.8951 16.9734 18.0969 k = 0.4286 0.2398 0.0658 ( 1349 PWs) bands (ev): -42.4845 -42.4651 -19.0187 -18.9950 -18.8299 -18.7962 -18.7369 -18.7066 10.4245 10.9726 11.1718 11.2110 11.6040 11.8165 11.9295 12.0514 12.4159 12.5379 12.7784 13.2226 13.8364 14.3353 14.5709 14.9436 15.2138 16.3268 16.6447 16.9092 17.0333 18.0353 k = 0.4286 0.2398 0.1315 ( 1348 PWs) bands (ev): -42.4830 -42.4665 -19.0160 -18.9958 -18.8481 -18.8140 -18.7205 -18.6872 10.3023 10.8057 11.0379 11.1018 11.5875 11.7404 11.9014 12.1628 12.4411 12.7421 13.1408 13.3299 14.0752 14.4483 14.5668 15.0992 15.3577 16.1031 16.6302 16.7922 17.2410 17.8583 k = 0.4286 0.2398 0.1973 ( 1338 PWs) bands (ev): -42.4807 -42.4687 -19.0118 -18.9974 -18.8616 -18.8357 -18.6989 -18.6731 10.2131 10.6478 10.8268 10.9817 11.5613 11.6910 11.9006 12.1224 12.6172 12.9742 13.4551 13.5295 14.3235 14.6025 14.7040 15.3477 15.5720 15.9417 16.4325 16.7589 17.3482 17.6307 k = 0.4286 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.4778 -42.4715 -19.0071 -18.9995 -18.8675 -18.8538 -18.6808 -18.6671 10.2036 10.4557 10.7309 10.8503 11.6360 11.7013 11.8490 11.9499 12.8592 13.0778 13.6158 13.7313 14.4996 14.8633 15.0126 15.5029 15.7031 15.9325 16.3469 16.7504 17.1237 17.4523 k = 0.4286 0.2398-0.3288 ( 1338 PWs) bands (ev): -42.4746 -42.4746 -19.0032 -19.0032 -18.8650 -18.8650 -18.6700 -18.6700 10.2879 10.2879 10.7548 10.7548 11.7501 11.7501 11.7916 11.7916 13.0299 13.0299 13.7194 13.7194 14.7820 14.7820 15.3723 15.3723 15.8196 15.8196 16.7174 16.7174 16.9549 16.9549 k = 0.4286-0.2997 0.0000 ( 1354 PWs) bands (ev): -42.4837 -42.4659 -19.0172 -18.9975 -18.8123 -18.7827 -18.7430 -18.7321 10.5531 10.9740 11.1707 11.3677 11.3931 11.7888 12.0548 12.1551 12.2417 12.5071 12.5977 13.2197 13.8219 14.3950 14.5559 14.8549 15.2719 16.3851 16.6504 16.6968 17.3854 17.6783 k = 0.4286-0.2997 0.0658 ( 1348 PWs) bands (ev): -42.4833 -42.4663 -19.0162 -18.9972 -18.8215 -18.7992 -18.7267 -18.7223 10.4701 10.9050 11.1411 11.1850 11.6034 11.8191 11.9340 12.0356 12.3875 12.5130 12.8263 13.2538 13.9367 14.4465 14.6047 14.8325 15.3095 16.2268 16.7153 16.8166 17.3129 17.6208 k = 0.4286-0.2997 0.1315 ( 1348 PWs) bands (ev): -42.4820 -42.4675 -19.0136 -18.9978 -18.8399 -18.8249 -18.7029 -18.7025 10.3154 10.7538 11.0023 11.0638 11.5893 11.8131 11.8166 12.1515 12.5415 12.6236 13.1980 13.3635 14.2309 14.5844 14.7619 14.7993 15.4205 16.0224 16.7606 17.0211 17.1095 17.4537 k = 0.4286-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4799 -42.4694 -19.0100 -18.9988 -18.8564 -18.8472 -18.6837 -18.6823 10.2019 10.5935 10.7977 10.9429 11.5585 11.7070 11.8713 12.0932 12.7989 12.8342 13.5178 13.5445 14.6136 14.6506 14.9914 15.0065 15.5945 15.8861 16.7818 16.7941 17.1563 17.1995 k = 0.4286-0.2997 0.2631 ( 1324 PWs) bands (ev): -42.4774 -42.4719 -19.0061 -19.0002 -18.8666 -18.8619 -18.6703 -18.6692 10.1758 10.4062 10.7008 10.8124 11.6287 11.7025 11.8341 11.9295 13.0059 13.0179 13.6562 13.7653 14.6702 15.0850 15.1692 15.3699 15.8100 15.9016 16.4819 16.7373 16.9013 17.0916 k = 0.4286-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4746 -42.4746 -19.0031 -19.0031 -18.8690 -18.8690 -18.6657 -18.6657 10.2482 10.2482 10.7198 10.7198 11.7444 11.7444 11.7773 11.7773 13.0834 13.0834 13.7626 13.7626 14.9065 14.9065 15.5493 15.5493 15.9061 15.9061 16.5473 16.5473 16.8072 16.8072 k =-0.5000 0.0000 0.0000 ( 1354 PWs) bands (ev): -42.4895 -42.4532 -19.0617 -19.0061 -18.8518 -18.8413 -18.6983 -18.6651 10.6595 11.2559 11.4431 11.5422 11.6938 11.8603 12.0948 12.1726 12.3073 12.6050 12.7650 13.0368 13.1568 13.3764 14.4904 14.6106 15.1190 15.1347 16.7147 17.4075 17.9874 19.2944 k =-0.5000 0.0000 0.0658 ( 1334 PWs) bands (ev): -42.4886 -42.4541 -19.0599 -19.0074 -18.8478 -18.8374 -18.7002 -18.6680 10.6530 11.2399 11.3832 11.5504 11.6458 11.8837 12.1400 12.1507 12.3914 12.4844 12.8484 12.9715 13.1548 13.4782 14.5336 14.5618 15.0969 15.3516 16.7239 17.2838 17.9521 19.2867 k =-0.5000 0.0000 0.1315 ( 1334 PWs) bands (ev): -42.4860 -42.4566 -19.0550 -19.0104 -18.8399 -18.8287 -18.7079 -18.6780 10.6458 11.2034 11.2735 11.5365 11.5790 11.8757 12.0976 12.1984 12.3069 12.6184 12.6844 13.1807 13.2146 13.6628 14.4320 14.7380 14.9843 15.8551 16.7411 16.9724 17.8411 19.2504 k =-0.5000 0.0000 0.1973 ( 1340 PWs) bands (ev): -42.4820 -42.4606 -19.0476 -19.0155 -18.8282 -18.8172 -18.7180 -18.6934 10.6664 11.1647 11.1846 11.3490 11.6348 11.8251 12.0789 12.1287 12.2444 12.4361 12.9324 13.3786 13.5212 13.8366 14.3408 14.7986 14.9717 16.4975 16.5061 16.8443 17.6512 19.1980 k =-0.5000 0.0000 0.2631 ( 1336 PWs) bands (ev): -42.4769 -42.4656 -19.0386 -19.0220 -18.8154 -18.8068 -18.7255 -18.7103 10.7436 11.1071 11.1347 11.1349 11.7231 11.8396 11.9897 12.0392 12.2344 12.2639 13.2554 13.5163 13.8778 13.9852 14.2481 14.5497 15.2589 16.0567 16.9507 17.2404 17.3951 18.9673 k =-0.5000 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4712 -42.4712 -19.0299 -19.0299 -18.8065 -18.8065 -18.7233 -18.7233 10.8921 10.8921 11.1214 11.1214 11.8446 11.8446 11.9284 11.9284 12.2281 12.2281 13.4811 13.4811 14.0954 14.0954 14.2636 14.2636 15.6240 15.6240 17.1369 17.1369 18.0660 18.0660 k =-0.5000 0.0599 0.0000 ( 1354 PWs) bands (ev): -42.4889 -42.4539 -19.0606 -19.0077 -18.8482 -18.8373 -18.7010 -18.6694 10.6575 11.2352 11.4370 11.5110 11.6203 11.8540 12.1674 12.1863 12.2981 12.4463 12.9431 12.9563 13.2127 13.4655 14.5375 14.5471 15.0983 15.3444 16.7066 17.3262 17.9100 19.2812 k =-0.5000 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.4880 -42.4547 -19.0590 -19.0084 -18.8496 -18.8303 -18.7053 -18.6706 10.6409 11.1893 11.3977 11.5368 11.6070 11.8868 11.9884 12.1474 12.4479 12.6162 12.7877 13.0129 13.2163 13.5369 14.4692 14.6156 15.2884 15.3284 16.7121 17.1924 17.9159 19.2637 k =-0.5000 0.0599 0.1315 ( 1346 PWs) bands (ev): -42.4855 -42.4572 -19.0540 -19.0113 -18.8478 -18.8174 -18.7159 -18.6753 10.6100 11.1088 11.3183 11.5474 11.5668 11.7305 11.9672 12.1589 12.5254 12.7213 12.7700 13.1407 13.2908 13.6959 14.3747 14.7884 15.1717 15.8044 16.7075 16.9084 17.8642 19.2112 k =-0.5000 0.0599 0.1973 ( 1344 PWs) bands (ev): -42.4816 -42.4610 -19.0467 -19.0161 -18.8406 -18.8063 -18.7258 -18.6848 10.6047 11.0537 11.2215 11.2962 11.6198 11.6890 12.0491 12.0978 12.3625 12.6163 13.0548 13.4747 13.5115 13.8533 14.2921 14.9625 15.0156 16.4332 16.4444 16.8382 17.6995 19.1386 k =-0.5000 0.0599 0.2631 ( 1334 PWs) bands (ev): -42.4767 -42.4659 -19.0381 -19.0222 -18.8284 -18.8046 -18.7259 -18.6985 10.6606 11.0153 11.0412 11.1338 11.7073 11.7606 11.9684 12.0298 12.2968 12.4826 13.3913 13.6361 13.8972 13.9969 14.2146 14.6799 15.2890 16.0358 16.9439 17.1624 17.4322 18.8422 k =-0.5000 0.0599-0.3288 ( 1348 PWs) bands (ev): -42.4712 -42.4712 -19.0298 -19.0298 -18.8153 -18.8153 -18.7148 -18.7148 10.7967 10.7967 11.0703 11.0703 11.8275 11.8275 11.8873 11.8873 12.3734 12.3734 13.6175 13.6175 14.0771 14.0771 14.3468 14.3468 15.6321 15.6321 17.1456 17.1456 17.9695 17.9695 k =-0.5000 0.1199 0.0000 ( 1346 PWs) bands (ev): -42.4870 -42.4558 -19.0570 -19.0107 -18.8393 -18.8261 -18.7090 -18.6807 10.6542 11.1890 11.4214 11.4416 11.4533 11.8355 12.2021 12.2732 12.2751 12.3525 12.7828 13.2218 13.3547 13.6313 14.4318 14.7040 15.0380 15.8183 16.6867 17.1029 17.6820 19.2499 k =-0.5000 0.1199 0.0658 ( 1354 PWs) bands (ev): -42.4862 -42.4565 -19.0556 -19.0116 -18.8473 -18.8153 -18.7172 -18.6767 10.6118 11.1151 11.3383 11.4541 11.5548 11.8528 11.9049 12.1214 12.6181 12.6225 12.6793 13.2441 13.3737 13.6626 14.3804 14.7676 15.2185 15.7644 16.6753 16.9750 17.7648 19.2085 k =-0.5000 0.1199 0.1315 ( 1350 PWs) bands (ev): -42.4840 -42.4587 -19.0512 -19.0137 -18.8534 -18.8028 -18.7284 -18.6723 10.5272 10.9955 11.2675 11.3945 11.5667 11.5914 12.0461 12.0737 12.4635 12.9753 13.0421 13.2002 13.4859 13.7685 14.3010 14.9298 15.5951 15.6642 16.5658 16.8192 17.8563 19.0966 k =-0.5000 0.1199 0.1973 ( 1338 PWs) bands (ev): -42.4805 -42.4621 -19.0443 -19.0172 -18.8530 -18.8027 -18.7277 -18.6736 10.4702 10.9199 11.0897 11.1588 11.5791 11.6139 12.0253 12.1879 12.2944 13.0108 13.3692 13.5515 13.7221 13.8929 14.2319 15.1377 15.3380 16.2483 16.2937 16.8201 17.8009 18.9480 k =-0.5000 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.4761 -42.4664 -19.0368 -19.0228 -18.8457 -18.8162 -18.7138 -18.6818 10.4860 10.8014 10.9057 11.0408 11.6796 11.6828 11.9171 12.0176 12.4545 12.8391 13.7469 13.9433 13.9475 14.0562 14.1969 14.9830 15.3723 15.9780 16.9197 16.9372 17.5262 18.4927 k =-0.5000 0.1199-0.3288 ( 1348 PWs) bands (ev): -42.4712 -42.4712 -19.0294 -19.0294 -18.8330 -18.8330 -18.6968 -18.6968 10.5954 10.5954 10.9497 10.9497 11.7907 11.7907 11.8300 11.8300 12.6513 12.6513 13.9763 13.9763 14.0581 14.0581 14.5603 14.5603 15.6547 15.6547 17.1611 17.1611 17.6944 17.6944 k =-0.5000 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4843 -42.4585 -19.0518 -19.0153 -18.8274 -18.8088 -18.7215 -18.6976 10.6561 11.1423 11.2697 11.3705 11.4022 11.8077 12.1517 12.2013 12.2492 12.5888 12.6488 13.4777 13.5222 13.8060 14.3339 14.9290 14.9470 16.4314 16.6630 16.8026 17.3423 19.2203 k =-0.5000 0.1798 0.0658 ( 1348 PWs) bands (ev): -42.4836 -42.4591 -19.0505 -19.0158 -18.8390 -18.7992 -18.7303 -18.6875 10.5825 11.0657 11.2350 11.2472 11.5829 11.8179 11.9181 12.0813 12.4993 12.6133 12.8573 13.5534 13.5620 13.8065 14.3127 14.9845 15.0671 16.3665 16.5654 16.7740 17.4668 19.1493 k =-0.5000 0.1798 0.1315 ( 1350 PWs) bands (ev): -42.4817 -42.4609 -19.0467 -19.0174 -18.8524 -18.7992 -18.7307 -18.6748 10.4416 10.9152 11.1213 11.1545 11.5805 11.6488 11.9745 12.1426 12.3879 12.9124 13.2977 13.6753 13.7245 13.8440 14.2627 15.1285 15.4051 16.1778 16.3412 16.7737 17.6761 18.9341 k =-0.5000 0.1798 0.1973 ( 1334 PWs) bands (ev): -42.4788 -42.4637 -19.0410 -19.0196 -18.8589 -18.8148 -18.7145 -18.6680 10.3368 10.8128 10.8524 11.0429 11.5518 11.6322 11.9403 12.1632 12.4328 13.1173 13.7769 13.8464 13.9709 14.0310 14.2012 15.3130 15.7349 16.0475 16.1128 16.7917 17.8288 18.5363 k =-0.5000 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.4752 -42.4673 -19.0348 -19.0236 -18.8582 -18.8342 -18.6950 -18.6697 10.3172 10.5867 10.7821 10.9170 11.6358 11.6681 11.8579 11.9647 12.6841 13.0774 13.9713 14.1217 14.2190 14.3507 14.3723 15.3769 15.4977 15.9001 16.6060 16.8661 17.6449 17.9906 k =-0.5000 0.1798-0.3288 ( 1328 PWs) bands (ev): -42.4712 -42.4712 -19.0287 -19.0287 -18.8494 -18.8494 -18.6787 -18.6787 10.4009 10.4009 10.8211 10.8211 11.7536 11.7536 11.7804 11.7804 12.9101 12.9101 14.0509 14.0509 14.4559 14.4559 14.8824 14.8824 15.6904 15.6904 17.1441 17.1441 17.2877 17.2877 k =-0.5000 0.2398 0.0000 ( 1356 PWs) bands (ev): -42.4815 -42.4612 -19.0463 -19.0205 -18.8149 -18.7902 -18.7343 -18.7178 10.6666 11.1094 11.1255 11.3209 11.3869 11.7809 12.0848 12.1921 12.2299 12.5678 12.7995 13.6502 13.6785 13.9670 14.2309 14.8533 15.1623 16.5128 16.6638 16.9970 17.1222 18.7701 k =-0.5000 0.2398 0.0658 ( 1358 PWs) bands (ev): -42.4810 -42.4617 -19.0453 -19.0209 -18.8269 -18.7929 -18.7340 -18.7036 10.5657 11.0529 11.0892 11.1422 11.5978 11.8112 11.9239 12.0486 12.4240 12.5508 13.0795 13.7098 13.7756 13.9797 14.2600 14.8917 15.2074 16.3547 16.7301 17.0446 17.1078 18.6865 k =-0.5000 0.2398 0.1315 ( 1352 PWs) bands (ev): -42.4795 -42.4631 -19.0421 -19.0215 -18.8445 -18.8107 -18.7176 -18.6844 10.3827 10.8766 10.9446 11.0569 11.5892 11.7134 11.8769 12.1458 12.4544 12.7654 13.5894 13.8980 13.9196 14.0652 14.3206 15.0814 15.3283 16.1389 16.7737 16.8167 17.3189 18.4255 k =-0.5000 0.2398 0.1973 ( 1342 PWs) bands (ev): -42.4772 -42.4653 -19.0376 -19.0229 -18.8577 -18.8323 -18.6961 -18.6704 10.2455 10.6899 10.7500 10.9451 11.5431 11.6596 11.8656 12.0902 12.6512 13.0174 13.9391 14.1533 14.1745 14.2960 14.4259 15.4730 15.4932 15.9542 16.4760 16.7902 17.5054 17.9914 k =-0.5000 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.4744 -42.4681 -19.0327 -19.0249 -18.8635 -18.8502 -18.6781 -18.6642 10.2026 10.4401 10.7014 10.8202 11.6119 11.6636 11.8101 11.9169 12.8988 13.1354 13.9832 14.1321 14.6674 14.7221 14.7721 15.6528 15.6827 15.8234 16.3464 16.7991 17.4382 17.4984 k =-0.5000 0.2398-0.3288 ( 1320 PWs) bands (ev): -42.4712 -42.4712 -19.0282 -19.0282 -18.8607 -18.8607 -18.6666 -18.6666 10.2689 10.2689 10.7293 10.7293 11.7270 11.7270 11.7458 11.7458 13.0797 13.0797 14.0502 14.0502 14.9193 14.9193 15.2624 15.2624 15.7446 15.7446 16.8426 16.8426 17.0132 17.0132 k =-0.5000-0.2997 0.0000 ( 1364 PWs) bands (ev): -42.4803 -42.4625 -19.0438 -19.0234 -18.8090 -18.7793 -18.7406 -18.7291 10.6746 11.0686 11.0977 11.3035 11.3811 11.7695 12.0642 12.1871 12.2229 12.5414 12.8877 13.6960 13.7591 14.0882 14.1307 14.8095 15.2780 16.3767 16.7302 16.7887 17.6727 18.1943 k =-0.5000-0.2997 0.0658 ( 1364 PWs) bands (ev): -42.4798 -42.4629 -19.0422 -19.0237 -18.8187 -18.7964 -18.7241 -18.7193 10.5617 11.0302 11.0790 11.0793 11.6021 11.8114 11.9228 12.0363 12.4043 12.5231 13.1743 13.7639 13.8406 14.1019 14.2292 14.7948 15.3169 16.2446 16.8012 16.8708 17.5772 18.1246 k =-0.5000-0.2997 0.1315 ( 1352 PWs) bands (ev): -42.4785 -42.4641 -19.0396 -19.0236 -18.8362 -18.8214 -18.7001 -18.6998 10.3625 10.8685 10.8832 11.0171 11.5925 11.7785 11.7989 12.1265 12.5777 12.6337 13.7148 13.9191 13.9937 14.1406 14.5968 14.7710 15.4225 16.0514 16.8337 17.0729 17.2993 17.9091 k =-0.5000-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.4765 -42.4660 -19.0357 -19.0244 -18.8522 -18.8432 -18.6805 -18.6791 10.2136 10.6332 10.7308 10.9072 11.5410 11.6762 11.8317 12.0627 12.8523 12.8525 13.9517 14.1739 14.3207 14.4013 14.8191 15.1238 15.5816 15.8866 16.8556 16.8760 17.1967 17.5522 k =-0.5000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4740 -42.4685 -19.0317 -19.0258 -18.8627 -18.8582 -18.6676 -18.6665 10.1626 10.3888 10.6743 10.7841 11.6041 11.6638 11.7909 11.8986 13.0401 13.0798 13.9868 14.1350 14.8630 14.8902 15.0721 15.5932 15.7639 15.7722 16.4584 16.8086 17.0872 17.1418 k =-0.5000-0.2997-0.3288 ( 1320 PWs) bands (ev): -42.4712 -42.4712 -19.0280 -19.0280 -18.8647 -18.8647 -18.6626 -18.6626 10.2227 10.2227 10.6964 10.6964 11.7173 11.7173 11.7333 11.7333 13.1373 13.1373 14.0507 14.0507 15.1285 15.1285 15.4843 15.4843 15.7968 15.7968 16.5967 16.5967 16.8742 16.8742 the Fermi energy is 14.4847 ev ! total energy = -405.19915922 Ry Harris-Foulkes estimate = -405.19915922 Ry estimated scf accuracy < 5.5E-11 Ry The total energy is the sum of the following terms: one-electron contribution = -84.35145118 Ry hartree contribution = 78.55437255 Ry xc contribution = -89.27628675 Ry ewald contribution = -310.12362661 Ry smearing contrib. (-TS) = -0.00216723 Ry convergence has been achieved in 12 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 0.01354137 0.00000000 atom 2 type 2 force = 0.00000000 -0.00646981 0.00000000 atom 3 type 1 force = 0.00000000 -0.01354137 0.00000000 atom 4 type 2 force = 0.00000000 0.00646981 0.00000000 Total force = 0.021224 Total SCF correction = 0.000062 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -14.51 0.00001248 0.00000000 0.00000000 1.84 0.00 0.00 0.00000000 -0.00027367 0.00000000 0.00 -40.26 0.00 0.00000000 0.00000000 -0.00003481 0.00 0.00 -5.12 number of scf cycles = 2 number of bfgs steps = 1 energy old = -405.2011461628 Ry energy new = -405.1991592226 Ry CASE: energy _new > energy _old new trust radius = 0.0286195392 bohr new conv_thr = 1.0E-10 Ry ATOMIC_POSITIONS (crystal) Ti 0.000000000 0.029415875 0.000000000 Ni 0.500000000 -0.064316423 0.500000000 Ti 0.000000000 0.470584125 0.500000000 Ni 0.500000000 0.564316423 0.000000000 Writing output data file pwscf.save NEW-OLD atomic charge density approx. for the potential Check: negative/imaginary core charge= -0.000006 0.000000 total cpu time spent up to now is 3314.68 secs per-process dynamical memory: 33.3 Mb Self-consistent Calculation iteration # 1 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-06, avg # of iterations = 5.6 total cpu time spent up to now is 3446.82 secs total energy = -405.19601991 Ry Harris-Foulkes estimate = -405.20418586 Ry estimated scf accuracy < 0.01767780 Ry iteration # 2 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.02E-05, avg # of iterations = 2.9 total cpu time spent up to now is 3511.38 secs total energy = -405.19534895 Ry Harris-Foulkes estimate = -405.20651878 Ry estimated scf accuracy < 0.06510167 Ry iteration # 3 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.02E-05, avg # of iterations = 2.3 total cpu time spent up to now is 3565.50 secs total energy = -405.20096442 Ry Harris-Foulkes estimate = -405.20113188 Ry estimated scf accuracy < 0.00103052 Ry iteration # 4 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.34E-06, avg # of iterations = 3.2 total cpu time spent up to now is 3627.52 secs total energy = -405.20110919 Ry Harris-Foulkes estimate = -405.20113787 Ry estimated scf accuracy < 0.00014794 Ry iteration # 5 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.36E-07, avg # of iterations = 1.7 total cpu time spent up to now is 3683.20 secs total energy = -405.20111886 Ry Harris-Foulkes estimate = -405.20112096 Ry estimated scf accuracy < 0.00003223 Ry iteration # 6 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.33E-08, avg # of iterations = 2.4 total cpu time spent up to now is 3740.75 secs total energy = -405.20112085 Ry Harris-Foulkes estimate = -405.20112203 Ry estimated scf accuracy < 0.00000419 Ry iteration # 7 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 9.53E-09, avg # of iterations = 3.2 total cpu time spent up to now is 3807.38 secs total energy = -405.20112175 Ry Harris-Foulkes estimate = -405.20112211 Ry estimated scf accuracy < 0.00000156 Ry iteration # 8 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.55E-09, avg # of iterations = 3.0 total cpu time spent up to now is 3868.00 secs total energy = -405.20112205 Ry Harris-Foulkes estimate = -405.20112201 Ry estimated scf accuracy < 0.00000005 Ry iteration # 9 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.23E-10, avg # of iterations = 3.0 total cpu time spent up to now is 3937.27 secs total energy = -405.20112209 Ry Harris-Foulkes estimate = -405.20112207 Ry estimated scf accuracy < 6.8E-09 Ry iteration # 10 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.55E-11, avg # of iterations = 3.1 total cpu time spent up to now is 3999.70 secs total energy = -405.20112211 Ry Harris-Foulkes estimate = -405.20112209 Ry estimated scf accuracy < 1.4E-09 Ry iteration # 11 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.09E-12, avg # of iterations = 2.2 total cpu time spent up to now is 4057.30 secs total energy = -405.20112212 Ry Harris-Foulkes estimate = -405.20112211 Ry estimated scf accuracy < 1.4E-10 Ry iteration # 12 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.20E-13, avg # of iterations = 2.1 total cpu time spent up to now is 4114.25 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -42.5604 -42.5155 -18.9189 -18.9122 -18.7328 -18.7165 -18.5142 -18.4811 6.8442 10.1800 10.7653 10.7822 10.8009 12.1877 12.3640 12.4097 12.7293 12.8541 13.0071 13.1902 13.9649 14.4966 14.7387 14.8171 15.2895 16.8663 17.0468 17.0673 17.1967 17.2402 k = 0.0000 0.0000 0.0658 ( 1323 PWs) bands (ev): -42.5593 -42.5166 -18.9178 -18.9095 -18.7375 -18.7191 -18.5135 -18.4818 6.9426 10.1639 10.7014 10.8346 10.9449 12.2233 12.3128 12.3995 12.7675 12.8419 12.8669 13.1492 14.1186 14.4312 14.4735 14.9279 15.2321 16.8739 16.9823 17.0740 17.1500 17.2512 k = 0.0000 0.0000 0.1315 ( 1331 PWs) bands (ev): -42.5559 -42.5196 -18.9140 -18.9028 -18.7472 -18.7273 -18.5116 -18.4846 7.2320 10.1161 10.6831 10.9258 11.2062 12.1253 12.3209 12.3896 12.6772 12.8101 12.8507 13.0068 13.9353 14.2485 14.5486 15.0065 15.1140 16.7552 16.8383 16.8911 17.0493 17.2451 k = 0.0000 0.0000 0.1973 ( 1329 PWs) bands (ev): -42.5508 -42.5244 -18.9070 -18.8940 -18.7584 -18.7393 -18.5082 -18.4886 7.6940 9.9667 10.6980 11.0379 11.4750 11.8427 12.4023 12.4462 12.5805 12.7315 12.7784 12.9253 13.6362 14.1348 14.7923 14.9537 15.1120 16.2494 16.6766 16.7760 16.9536 17.2046 k = 0.0000 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5444 -42.5305 -18.8983 -18.8891 -18.7653 -18.7524 -18.5039 -18.4936 8.2923 9.5724 10.7880 11.0761 11.6154 11.6351 12.4402 12.5157 12.5245 12.5276 12.8048 12.9462 13.6466 13.9766 14.9214 14.9713 15.1606 15.6776 16.5476 16.5844 17.0039 17.1415 k = 0.0000 0.0000-0.3288 ( 1328 PWs) bands (ev): -42.5374 -42.5374 -18.8906 -18.8906 -18.7627 -18.7627 -18.4989 -18.4989 8.9597 8.9597 10.9501 10.9501 11.6109 11.6109 12.4905 12.4905 12.4954 12.4954 12.8936 12.8936 13.8056 13.8056 15.0161 15.0161 15.2586 15.2586 16.5059 16.5059 17.0700 17.0700 k = 0.0000 0.0599 0.0000 ( 1321 PWs) bands (ev): -42.5597 -42.5162 -18.9164 -18.9089 -18.7356 -18.7210 -18.5137 -18.4819 6.9238 10.1757 10.7571 10.8179 10.8308 12.1959 12.3294 12.4334 12.7214 12.8642 12.9415 13.1097 13.9028 14.4822 14.7367 14.8127 15.2114 16.8337 17.0068 17.0391 17.1859 17.2616 k = 0.0000 0.0599 0.0658 ( 1330 PWs) bands (ev): -42.5586 -42.5172 -18.9202 -18.9022 -18.7433 -18.7200 -18.5133 -18.4826 7.0216 10.1664 10.7228 10.8534 10.9557 12.2311 12.2775 12.4213 12.7607 12.7899 12.8535 13.1433 13.9052 14.4564 14.5095 14.9219 15.2036 16.8290 16.9176 16.9717 17.1864 17.2764 k = 0.0000 0.0599 0.1315 ( 1327 PWs) bands (ev): -42.5554 -42.5201 -18.9219 -18.8923 -18.7557 -18.7217 -18.5110 -18.4851 7.3091 10.1345 10.7080 10.9430 11.2004 12.0955 12.3272 12.4090 12.6126 12.8139 12.8561 13.0608 13.6938 14.2864 14.4909 14.9676 15.2062 16.6458 16.7452 16.9167 17.0310 17.2505 k = 0.0000 0.0599 0.1973 ( 1327 PWs) bands (ev): -42.5504 -42.5248 -18.9185 -18.8859 -18.7651 -18.7298 -18.5078 -18.4889 7.7679 10.0057 10.7162 11.0506 11.4579 11.8353 12.4181 12.4526 12.5008 12.7892 12.8111 12.9281 13.4910 14.1267 14.6050 14.9298 15.2542 16.2018 16.5873 16.7801 16.9547 17.2141 k = 0.0000 0.0599 0.2631 ( 1326 PWs) bands (ev): -42.5442 -42.5307 -18.9100 -18.8883 -18.7648 -18.7418 -18.5036 -18.4937 8.3619 9.6276 10.7970 11.0795 11.5838 11.6661 12.4400 12.4546 12.5231 12.5980 12.8150 12.9506 13.5567 13.9519 14.6959 14.9113 15.2949 15.7029 16.4711 16.5722 17.0104 17.1529 k = 0.0000 0.0599-0.3288 ( 1320 PWs) bands (ev): -42.5374 -42.5374 -18.8981 -18.8981 -18.7552 -18.7552 -18.4987 -18.4987 9.0235 9.0235 10.9524 10.9524 11.6167 11.6167 12.4848 12.4848 12.5020 12.5020 12.9003 12.9003 13.7556 13.7556 14.8229 14.8229 15.3852 15.3852 16.4599 16.4599 17.0803 17.0803 k = 0.0000 0.1199 0.0000 ( 1335 PWs) bands (ev): -42.5579 -42.5179 -18.9094 -18.8994 -18.7440 -18.7335 -18.5130 -18.4836 7.1580 10.0944 10.7827 10.8934 10.9221 12.2133 12.2189 12.4989 12.6992 12.7583 12.8895 12.9343 13.8043 14.4493 14.7043 14.8010 15.0639 16.5708 16.7482 17.0203 17.0449 17.3551 k = 0.0000 0.1199 0.0658 ( 1325 PWs) bands (ev): -42.5569 -42.5188 -18.9191 -18.8887 -18.7559 -18.7238 -18.5121 -18.4841 7.2538 10.1108 10.7832 10.9116 11.0052 12.1664 12.2528 12.4794 12.6302 12.7454 12.8814 13.0290 13.6738 14.4175 14.5325 14.8653 15.1475 16.5260 16.7314 16.8907 17.1221 17.3051 k = 0.0000 0.1199 0.1315 ( 1324 PWs) bands (ev): -42.5539 -42.5215 -18.9289 -18.8802 -18.7669 -18.7174 -18.5102 -18.4864 7.5356 10.1403 10.7799 10.9874 11.1930 12.0185 12.3451 12.4592 12.4796 12.8188 12.8772 13.1000 13.3357 14.2770 14.3935 14.8378 15.3216 16.3637 16.6099 16.8014 17.0706 17.2485 k = 0.0000 0.1199 0.1973 ( 1321 PWs) bands (ev): -42.5493 -42.5258 -18.9315 -18.8846 -18.7663 -18.7179 -18.5071 -18.4898 7.9846 10.0921 10.7659 11.0749 11.4110 11.8262 12.3683 12.4535 12.4755 12.8172 12.9138 12.9379 13.1843 14.0778 14.3917 14.7544 15.4282 16.0593 16.4381 16.6755 17.0025 17.2210 k = 0.0000 0.1199 0.2631 ( 1313 PWs) bands (ev): -42.5436 -42.5312 -18.9270 -18.8988 -18.7541 -18.7255 -18.5030 -18.4937 8.5645 9.7790 10.8146 11.0757 11.5510 11.7052 12.3407 12.4916 12.5419 12.6320 12.8433 12.9642 13.3473 13.8682 14.4343 14.6580 15.4413 15.7016 16.3329 16.4821 17.0356 17.1693 k = 0.0000 0.1199-0.3288 ( 1316 PWs) bands (ev): -42.5373 -42.5373 -18.9151 -18.9151 -18.7387 -18.7387 -18.4987 -18.4987 9.2066 9.2066 10.9505 10.9505 11.6344 11.6344 12.4454 12.4454 12.5314 12.5314 12.9201 12.9201 13.6161 13.6161 14.5297 14.5297 15.4858 15.4858 16.3467 16.3467 17.1005 17.1005 k = 0.0000 0.1798 0.0000 ( 1325 PWs) bands (ev): -42.5554 -42.5204 -18.8988 -18.8842 -18.7544 -18.7515 -18.5113 -18.4852 7.5309 9.8090 10.8832 10.9701 11.0832 12.0468 12.2509 12.4995 12.5885 12.6684 12.8038 12.9171 13.7436 14.4152 14.6376 14.7853 14.9485 16.0779 16.6374 16.8809 17.0008 17.3687 k = 0.0000 0.1798 0.0658 ( 1321 PWs) bands (ev): -42.5545 -42.5212 -18.9127 -18.8760 -18.7678 -18.7341 -18.5103 -18.4859 7.6234 9.8587 10.8902 10.9946 11.1208 12.0208 12.2828 12.4174 12.5485 12.7358 12.8517 12.9110 13.6156 14.3719 14.4927 14.7589 15.1031 16.0746 16.6211 16.7437 17.0894 17.3188 k = 0.0000 0.1798 0.1315 ( 1321 PWs) bands (ev): -42.5518 -42.5235 -18.9292 -18.8785 -18.7690 -18.7195 -18.5087 -18.4879 7.8950 9.9861 10.8880 11.0529 11.2317 11.9400 12.2822 12.3699 12.5172 12.8292 12.8838 12.9053 13.3416 14.2167 14.3057 14.6491 15.3617 16.0142 16.4766 16.6407 17.1161 17.2349 k = 0.0000 0.1798 0.1973 ( 1325 PWs) bands (ev): -42.5478 -42.5272 -18.9397 -18.8959 -18.7553 -18.7125 -18.5062 -18.4910 8.3262 10.1041 10.8277 11.0972 11.3925 11.8265 12.1917 12.4801 12.5192 12.7952 12.8543 12.9547 13.1308 13.9732 14.2348 14.5084 15.5040 15.8469 16.2889 16.5287 17.0574 17.2134 k = 0.0000 0.1798 0.2631 ( 1314 PWs) bands (ev): -42.5427 -42.5319 -18.9409 -18.9162 -18.7370 -18.7134 -18.5026 -18.4946 8.8790 9.9706 10.7988 11.0545 11.5494 11.7389 12.2156 12.5352 12.5639 12.5730 12.8828 12.9856 13.1886 13.7211 14.2244 14.3720 15.4912 15.6204 16.1866 16.3534 17.0652 17.1752 k = 0.0000 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5373 -42.5373 -18.9329 -18.9329 -18.7223 -18.7223 -18.4986 -18.4986 9.4796 9.4796 10.9209 10.9209 11.6640 11.6640 12.3596 12.3596 12.5654 12.5654 12.9496 12.9496 13.4343 13.4343 14.2685 14.2685 15.4853 15.4853 16.2129 16.2129 17.1172 17.1172 k = 0.0000 0.2398 0.0000 ( 1318 PWs) bands (ev): -42.5530 -42.5226 -18.8893 -18.8681 -18.7700 -18.7635 -18.5095 -18.4870 8.0032 9.3364 10.9995 11.0405 11.2677 11.9294 12.2371 12.2807 12.6395 12.6717 12.7446 12.9330 13.7213 14.3947 14.5696 14.7713 14.8860 15.6806 16.5394 16.7565 16.9850 17.3790 k = 0.0000 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5522 -42.5233 -18.9026 -18.8706 -18.7725 -18.7479 -18.5090 -18.4877 8.0905 9.4075 11.0120 11.0606 11.2855 11.9239 12.1690 12.3108 12.5869 12.7534 12.7629 12.9277 13.6270 14.3401 14.4375 14.6582 15.0771 15.7157 16.5311 16.6177 17.0703 17.3280 k = 0.0000 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5499 -42.5253 -18.9235 -18.8878 -18.7593 -18.7284 -18.5079 -18.4895 8.3460 9.6067 10.9952 11.1265 11.3495 11.8969 12.0339 12.3930 12.5549 12.7549 12.8562 12.9201 13.4329 14.1389 14.2551 14.4578 15.3688 15.7278 16.3752 16.5123 17.1442 17.2195 k = 0.0000 0.2398 0.1973 ( 1325 PWs) bands (ev): -42.5464 -42.5285 -18.9402 -18.9117 -18.7389 -18.7145 -18.5054 -18.4920 8.7479 9.8823 10.8809 11.1725 11.4608 11.7989 11.9964 12.4991 12.5537 12.6479 12.8919 12.9689 13.2579 13.8210 14.1436 14.2889 15.5227 15.6495 16.1768 16.4112 17.0982 17.1973 k = 0.0000 0.2398 0.2631 ( 1329 PWs) bands (ev): -42.5420 -42.5326 -18.9484 -18.9325 -18.7217 -18.7088 -18.5020 -18.4953 9.2531 10.0584 10.7232 11.0675 11.5921 11.7437 12.0732 12.4536 12.5682 12.5801 12.9199 13.0066 13.1902 13.5281 14.0897 14.1617 15.4751 15.5235 16.0747 16.2460 17.0867 17.1728 k = 0.0000 0.2398-0.3288 ( 1328 PWs) bands (ev): -42.5372 -42.5372 -18.9456 -18.9456 -18.7109 -18.7109 -18.4989 -18.4989 9.7720 9.7720 10.8441 10.8441 11.6984 11.6984 12.2391 12.2391 12.5906 12.5906 12.9785 12.9785 13.2938 13.2938 14.0947 14.0947 15.4387 15.4387 16.1056 16.1056 17.1261 17.1261 k = 0.0000-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5520 -42.5236 -18.8853 -18.8601 -18.7802 -18.7676 -18.5090 -18.4880 8.3583 8.9678 11.0417 11.0778 11.3694 11.8925 12.1060 12.2935 12.6271 12.7077 12.7281 12.9360 13.7194 14.3895 14.5395 14.7652 14.8667 15.5231 16.4998 16.7093 16.9792 17.3833 k = 0.0000-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5513 -42.5242 -18.8965 -18.8716 -18.7690 -18.7582 -18.5085 -18.4887 8.4395 9.0495 11.0733 11.0788 11.3837 11.8947 12.0377 12.3227 12.5925 12.7399 12.7725 12.9306 13.6402 14.3299 14.4123 14.6126 15.0689 15.5784 16.4948 16.5702 17.0636 17.3318 k = 0.0000-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5491 -42.5261 -18.9179 -18.8960 -18.7474 -18.7394 -18.5074 -18.4904 8.6757 9.2836 11.0423 11.1555 11.4481 11.8716 11.9053 12.4028 12.5655 12.7224 12.8785 12.9177 13.4810 14.0968 14.2486 14.3631 15.3720 15.6159 16.3370 16.4637 17.1544 17.2126 k = 0.0000-0.2997 0.1973 ( 1324 PWs) bands (ev): -42.5458 -42.5291 -18.9373 -18.9209 -18.7266 -18.7216 -18.5045 -18.4925 9.0433 9.6324 10.9060 11.2246 11.5754 11.6878 11.9338 12.5067 12.5651 12.6050 12.9108 12.9725 13.3456 13.7141 14.1190 14.1992 15.5449 15.5511 16.1353 16.3666 17.1156 17.1879 k = 0.0000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5417 -42.5329 -18.9491 -18.9402 -18.7125 -18.7102 -18.5020 -18.4952 9.4938 9.9813 10.7007 11.0904 11.6506 11.7016 12.0067 12.4002 12.5827 12.5835 12.9358 13.0154 13.2561 13.3930 14.0456 14.0863 15.4470 15.4962 16.0329 16.2048 17.0955 17.1714 k = 0.0000-0.2997-0.3288 ( 1324 PWs) bands (ev): -42.5372 -42.5372 -18.9499 -18.9499 -18.7067 -18.7067 -18.4987 -18.4987 9.9205 9.9205 10.7828 10.7828 11.7162 11.7162 12.1752 12.1752 12.5997 12.5997 12.9908 12.9908 13.2456 13.2456 14.0339 14.0339 15.4153 15.4153 16.0652 16.0652 17.1297 17.1297 k = 0.0714 0.0000 0.0000 ( 1328 PWs) bands (ev): -42.5569 -42.5122 -18.9158 -18.9090 -18.7302 -18.7138 -18.5428 -18.5086 6.9594 10.2710 10.8140 10.8291 10.8569 12.1631 12.3533 12.3692 12.7056 12.8167 12.9989 13.2251 13.8766 14.5616 14.7100 14.8295 15.0780 16.8637 16.9777 17.0789 17.2898 17.3712 k = 0.0714 0.0000 0.0658 ( 1339 PWs) bands (ev): -42.5558 -42.5132 -18.9149 -18.9066 -18.7347 -18.7168 -18.5417 -18.5096 7.0566 10.2538 10.7576 10.8912 10.9843 12.1921 12.3043 12.3543 12.7351 12.8048 12.8702 13.1766 14.0341 14.3845 14.5406 14.9473 15.0976 16.7576 17.0287 17.0422 17.1069 17.3353 k = 0.0714 0.0000 0.1315 ( 1336 PWs) bands (ev): -42.5525 -42.5163 -18.9105 -18.8994 -18.7442 -18.7247 -18.5395 -18.5122 7.3428 10.2058 10.7459 10.9843 11.2395 12.1078 12.2680 12.3565 12.6587 12.7750 12.8377 12.9953 13.9416 14.2348 14.5574 15.0309 15.0777 16.5356 16.8650 16.9035 16.9965 17.1892 k = 0.0714 0.0000 0.1973 ( 1335 PWs) bands (ev): -42.5474 -42.5211 -18.9035 -18.8910 -18.7554 -18.7363 -18.5359 -18.5161 7.7999 10.0584 10.7631 11.1012 11.5086 11.8312 12.3589 12.3682 12.5641 12.6618 12.7567 12.8980 13.7221 14.1797 14.7565 15.0237 15.0983 16.1503 16.6963 16.7217 16.8507 17.0816 k = 0.0714 0.0000 0.2631 ( 1325 PWs) bands (ev): -42.5410 -42.5272 -18.8946 -18.8856 -18.7618 -18.7492 -18.5312 -18.5206 8.3927 9.6662 10.8511 11.1435 11.6350 11.6489 12.3787 12.3951 12.4976 12.5253 12.7603 12.9036 13.7383 14.0282 14.9422 15.0275 15.1506 15.7002 16.5296 16.5451 16.8339 16.9831 k = 0.0714 0.0000-0.3288 ( 1324 PWs) bands (ev): -42.5340 -42.5340 -18.8871 -18.8871 -18.7594 -18.7594 -18.5261 -18.5261 9.0555 9.0555 11.0125 11.0125 11.6313 11.6313 12.3766 12.3766 12.5176 12.5176 12.8349 12.8349 13.8665 13.8665 15.0389 15.0389 15.3189 15.3189 16.4681 16.4681 16.8926 16.8926 k = 0.0714 0.0599 0.0000 ( 1330 PWs) bands (ev): -42.5563 -42.5128 -18.9133 -18.9057 -18.7333 -18.7182 -18.5421 -18.5090 7.0381 10.2669 10.8228 10.8484 10.8858 12.1708 12.3277 12.3701 12.6957 12.8282 12.9321 13.1293 13.8567 14.5501 14.7130 14.8263 15.0498 16.7808 16.9104 16.9843 17.2613 17.2675 k = 0.0714 0.0599 0.0658 ( 1331 PWs) bands (ev): -42.5552 -42.5138 -18.9170 -18.8989 -18.7401 -18.7170 -18.5412 -18.5100 7.1347 10.2564 10.7823 10.9100 10.9916 12.1950 12.2719 12.3662 12.7262 12.7876 12.8182 13.1711 13.8550 14.4728 14.5277 14.9476 15.0765 16.7170 16.8377 17.0234 17.1076 17.3312 k = 0.0714 0.0599 0.1315 ( 1333 PWs) bands (ev): -42.5519 -42.5168 -18.9186 -18.8889 -18.7527 -18.7192 -18.5390 -18.5125 7.4189 10.2231 10.7724 11.0026 11.2301 12.0724 12.2801 12.3672 12.6026 12.7728 12.8160 13.0801 13.6889 14.3024 14.5199 15.0080 15.1225 16.5000 16.7138 16.8708 17.1312 17.1394 k = 0.0714 0.0599 0.1973 ( 1337 PWs) bands (ev): -42.5470 -42.5214 -18.9151 -18.8828 -18.7621 -18.7271 -18.5357 -18.5166 7.8726 10.0952 10.7825 11.1152 11.4855 11.8228 12.3654 12.3674 12.4938 12.7201 12.7711 12.9255 13.5718 14.1767 14.6173 14.9834 15.2008 16.1334 16.5404 16.8182 16.8461 17.1012 k = 0.0714 0.0599 0.2631 ( 1329 PWs) bands (ev): -42.5408 -42.5273 -18.9064 -18.8851 -18.7616 -18.7391 -18.5313 -18.5208 8.4607 9.7189 10.8603 11.1465 11.5974 11.6818 12.3456 12.4063 12.4777 12.5750 12.7704 12.9083 13.6453 14.0047 14.7367 14.9506 15.2776 15.7285 16.4154 16.5846 16.8498 17.0195 k = 0.0714 0.0599-0.3288 ( 1322 PWs) bands (ev): -42.5340 -42.5340 -18.8948 -18.8948 -18.7520 -18.7520 -18.5260 -18.5260 9.1173 9.1173 11.0141 11.0141 11.6360 11.6360 12.3721 12.3721 12.5229 12.5229 12.8419 12.8419 13.8146 13.8146 14.8654 14.8654 15.4228 15.4228 16.4266 16.4266 16.9264 16.9264 k = 0.0714 0.1199 0.0000 ( 1327 PWs) bands (ev): -42.5545 -42.5146 -18.9060 -18.8960 -18.7408 -18.7304 -18.5405 -18.5104 7.2698 10.1875 10.8502 10.9479 10.9489 12.1923 12.1963 12.4132 12.6572 12.7610 12.8529 12.9362 13.8396 14.5219 14.7211 14.7966 14.9888 16.4839 16.8029 16.8275 17.0601 17.2598 k = 0.0714 0.1199 0.0658 ( 1329 PWs) bands (ev): -42.5534 -42.5155 -18.9161 -18.8854 -18.7526 -18.7213 -18.5400 -18.5113 7.3643 10.2020 10.8500 10.9668 11.0318 12.1347 12.2329 12.4039 12.6203 12.7044 12.8446 13.0392 13.7060 14.4896 14.5357 14.8778 15.0742 16.4411 16.7207 16.8516 17.0291 17.2664 k = 0.0714 0.1199 0.1315 ( 1327 PWs) bands (ev): -42.5505 -42.5182 -18.9254 -18.8770 -18.7639 -18.7148 -18.5379 -18.5135 7.6423 10.2270 10.8497 11.0487 11.2116 11.9901 12.3027 12.3894 12.4785 12.7556 12.8281 13.1435 13.3600 14.3151 14.4482 14.8694 15.2347 16.3062 16.5358 16.8420 17.0112 17.2041 k = 0.0714 0.1199 0.1973 ( 1329 PWs) bands (ev): -42.5459 -42.5224 -18.9284 -18.8812 -18.7632 -18.7153 -18.5347 -18.5173 8.0856 10.1755 10.8372 11.1410 11.4220 11.8146 12.3001 12.3851 12.4566 12.7552 12.8071 13.0025 13.2605 14.1328 14.4418 14.8014 15.3439 16.0444 16.3737 16.7652 16.9078 17.1301 k = 0.0714 0.1199 0.2631 ( 1326 PWs) bands (ev): -42.5402 -42.5279 -18.9234 -18.8956 -18.7513 -18.7230 -18.5308 -18.5214 8.6587 9.8632 10.8799 11.1388 11.5595 11.7175 12.2703 12.4133 12.4903 12.6317 12.7966 12.9139 13.4283 13.9208 14.4928 14.7074 15.4022 15.7346 16.2913 16.5323 16.9124 17.0738 k = 0.0714 0.1199-0.3288 ( 1318 PWs) bands (ev): -42.5340 -42.5340 -18.9114 -18.9114 -18.7358 -18.7358 -18.5260 -18.5260 9.2945 9.2945 11.0103 11.0103 11.6513 11.6513 12.3486 12.3486 12.5396 12.5396 12.8582 12.8582 13.6704 13.6704 14.5912 14.5912 15.5075 15.5075 16.3421 16.3421 16.9901 16.9901 k = 0.0714 0.1798 0.0000 ( 1328 PWs) bands (ev): -42.5519 -42.5170 -18.8960 -18.8808 -18.7514 -18.7483 -18.5390 -18.5126 7.6388 9.9048 10.9498 11.0261 11.1039 12.0208 12.2217 12.4635 12.4695 12.6608 12.7950 12.8795 13.8581 14.4915 14.7302 14.7349 14.9297 16.0672 16.6400 16.7770 16.8594 17.2563 k = 0.0714 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5510 -42.5178 -18.9093 -18.8728 -18.7652 -18.7312 -18.5383 -18.5133 7.7298 9.9523 10.9587 11.0522 11.1374 11.9913 12.2528 12.4035 12.4481 12.6771 12.8447 12.8791 13.7311 14.4482 14.5335 14.7590 15.0861 16.0575 16.6127 16.6593 16.9506 17.2338 k = 0.0714 0.1798 0.1315 ( 1332 PWs) bands (ev): -42.5484 -42.5202 -18.9258 -18.8754 -18.7661 -18.7171 -18.5367 -18.5152 7.9970 10.0731 10.9616 11.1124 11.2403 11.9142 12.2400 12.3514 12.4410 12.7342 12.8436 12.9159 13.4513 14.2595 14.3814 14.6852 15.3090 16.0032 16.4017 16.6777 16.9826 17.1828 k = 0.0714 0.1798 0.1973 ( 1329 PWs) bands (ev): -42.5444 -42.5238 -18.9361 -18.8924 -18.7523 -18.7100 -18.5336 -18.5182 8.4214 10.1815 10.9049 11.1552 11.3968 11.8176 12.1391 12.4116 12.4747 12.7506 12.8362 12.8908 13.2300 14.0254 14.3126 14.5680 15.4216 15.8680 16.2514 16.6168 16.9603 17.1315 k = 0.0714 0.1798 0.2631 ( 1325 PWs) bands (ev): -42.5394 -42.5286 -18.9373 -18.9128 -18.7344 -18.7107 -18.5302 -18.5220 8.9658 10.0437 10.8686 11.1085 11.5578 11.7465 12.1611 12.4063 12.5182 12.6487 12.8279 12.8849 13.2689 13.7699 14.3041 14.4464 15.4492 15.6701 16.1897 16.4210 16.9783 17.1001 k = 0.0714 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5339 -42.5339 -18.9289 -18.9289 -18.7194 -18.7194 -18.5260 -18.5260 9.5582 9.5582 10.9787 10.9787 11.6776 11.6776 12.2882 12.2882 12.5621 12.5621 12.8698 12.8698 13.4859 13.4859 14.3520 14.3520 15.5143 15.5143 16.2413 16.2413 17.0426 17.0426 k = 0.0714 0.2398 0.0000 ( 1331 PWs) bands (ev): -42.5496 -42.5193 -18.8866 -18.8647 -18.7673 -18.7611 -18.5373 -18.5146 8.1059 9.4349 11.0610 11.1028 11.2810 11.9037 12.2111 12.2581 12.4998 12.6260 12.7369 12.8851 13.9036 14.4728 14.6705 14.7376 14.8904 15.7162 16.5146 16.7115 16.7510 17.2545 k = 0.0714 0.2398 0.0658 ( 1331 PWs) bands (ev): -42.5488 -42.5200 -18.8993 -18.8673 -18.7696 -18.7453 -18.5368 -18.5151 8.1915 9.5035 11.0779 11.1212 11.2958 11.8974 12.1502 12.2862 12.4776 12.6543 12.7645 12.8807 13.8121 14.4117 14.5088 14.6551 15.0914 15.7448 16.5041 16.5179 16.9059 17.2220 k = 0.0714 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5465 -42.5220 -18.9200 -18.8845 -18.7560 -18.7257 -18.5350 -18.5168 8.4419 9.6955 11.0627 11.1905 11.3546 11.8758 12.0083 12.3680 12.4579 12.7057 12.7800 12.8723 13.6151 14.1638 14.3430 14.5115 15.3568 15.7534 16.2923 16.5121 16.9972 17.1503 k = 0.0714 0.2398 0.1973 ( 1326 PWs) bands (ev): -42.5430 -42.5251 -18.9364 -18.9081 -18.7360 -18.7115 -18.5326 -18.5194 8.8358 9.9593 10.9462 11.2417 11.4615 11.7893 11.9592 12.4399 12.4874 12.6580 12.8128 12.8627 13.4035 13.8539 14.2368 14.3734 15.4716 15.6910 16.1735 16.4482 17.0109 17.1013 k = 0.0714 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.5386 -42.5292 -18.9443 -18.9289 -18.7189 -18.7056 -18.5297 -18.5226 9.3307 10.1221 10.7892 11.1260 11.5967 11.7482 12.0367 12.3798 12.5401 12.6017 12.8482 12.8588 13.2849 13.5766 14.1864 14.2619 15.4704 15.5831 16.1137 16.2878 17.0276 17.0951 k = 0.0714 0.2398-0.3288 ( 1324 PWs) bands (ev): -42.5339 -42.5339 -18.9415 -18.9415 -18.7079 -18.7079 -18.5261 -18.5261 9.8391 9.8391 10.9027 10.9027 11.7078 11.7078 12.1988 12.1988 12.5783 12.5783 12.8647 12.8647 13.3546 13.3546 14.1975 14.1975 15.4968 15.4968 16.1368 16.1368 17.0707 17.0707 k = 0.0714-0.2997 0.0000 ( 1336 PWs) bands (ev): -42.5486 -42.5202 -18.8827 -18.8566 -18.7765 -18.7652 -18.5368 -18.5156 8.4557 9.0705 11.0992 11.1454 11.3782 11.8680 12.0913 12.2644 12.5119 12.6127 12.7226 12.8833 13.9310 14.4679 14.6416 14.7403 14.8772 15.5760 16.4656 16.6575 16.7427 17.2537 k = 0.0714-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5479 -42.5209 -18.8930 -18.8681 -18.7659 -18.7554 -18.5360 -18.5159 8.5351 9.1496 11.1322 11.1472 11.3904 11.8697 12.0255 12.2949 12.4865 12.6455 12.7430 12.8802 13.8583 14.3933 14.4999 14.6075 15.0935 15.6239 16.4610 16.4637 16.8928 17.2189 k = 0.0714-0.2997 0.1315 ( 1324 PWs) bands (ev): -42.5457 -42.5227 -18.9141 -18.8923 -18.7441 -18.7363 -18.5345 -18.5173 8.7662 9.3764 11.1070 11.2202 11.4550 11.8564 11.8794 12.3774 12.4630 12.6875 12.7592 12.8736 13.7113 14.0938 14.3389 14.4306 15.3819 15.6512 16.2504 16.4474 17.0035 17.1368 k = 0.0714-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.5424 -42.5257 -18.9336 -18.9173 -18.7239 -18.7190 -18.5326 -18.5195 9.1252 9.7130 10.9645 11.3041 11.5859 11.6583 11.9078 12.4582 12.4857 12.6082 12.8088 12.8698 13.5650 13.6867 14.2136 14.2985 15.5191 15.5899 16.1489 16.3739 17.0503 17.0651 k = 0.0714-0.2997 0.2631 ( 1334 PWs) bands (ev): -42.5383 -42.5295 -18.9452 -18.9364 -18.7097 -18.7074 -18.5295 -18.5229 9.5648 10.0457 10.7609 11.1568 11.6394 11.7140 11.9809 12.3596 12.5497 12.5726 12.8467 12.8671 13.3827 13.4187 14.1473 14.1978 15.5113 15.5119 16.0880 16.2217 17.0523 17.0819 k = 0.0714-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.5338 -42.5338 -18.9461 -18.9461 -18.7043 -18.7043 -18.5262 -18.5262 9.9805 9.9805 10.8437 10.8437 11.7226 11.7226 12.1503 12.1503 12.5832 12.5832 12.8579 12.8579 13.3149 13.3149 14.1445 14.1445 15.4895 15.4895 16.0880 16.0880 17.0779 17.0779 k = 0.1429 0.0000 0.0000 ( 1344 PWs) bands (ev): -42.5472 -42.5029 -18.9072 -18.9002 -18.7232 -18.7066 -18.6213 -18.5832 7.2979 10.5353 10.9036 10.9968 11.0090 12.0974 12.2048 12.3773 12.6420 12.7290 12.9719 13.3081 13.6634 14.2555 14.7444 14.9188 15.1144 16.6552 16.6906 16.8649 17.2738 17.8352 k = 0.1429 0.0000 0.0658 ( 1338 PWs) bands (ev): -42.5461 -42.5039 -18.9055 -18.8973 -18.7268 -18.7093 -18.6202 -18.5838 7.3916 10.5147 10.9020 11.0440 11.0971 12.1128 12.1916 12.3181 12.6559 12.7177 12.8756 13.2168 13.8152 14.1343 14.7289 14.9284 15.1610 16.5209 16.6676 16.8812 17.1224 18.0244 k = 0.1429 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5428 -42.5070 -18.9010 -18.8902 -18.7360 -18.7168 -18.6179 -18.5864 7.6673 10.4651 10.9157 11.1412 11.3241 12.0492 12.1444 12.2745 12.5852 12.6878 12.8401 12.9071 13.9782 14.0589 14.7061 14.9563 15.2268 16.2744 16.5966 16.7328 16.9652 17.5417 k = 0.1429 0.0000 0.1973 ( 1333 PWs) bands (ev): -42.5378 -42.5117 -18.8937 -18.8818 -18.7465 -18.7285 -18.6133 -18.5904 8.1084 10.3234 10.9403 11.2713 11.5920 11.8004 12.1663 12.2783 12.4847 12.4940 12.6811 12.8602 13.9477 14.1690 14.7593 15.0128 15.2635 16.0244 16.4871 16.5370 16.7910 17.1060 k = 0.1429 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5315 -42.5178 -18.8849 -18.8763 -18.7531 -18.7411 -18.6080 -18.5960 8.6828 9.9347 11.0203 11.3252 11.6372 11.7452 12.1761 12.2497 12.3410 12.4664 12.6565 12.8078 13.9814 14.1145 14.9110 15.1202 15.2808 15.7804 16.3862 16.4195 16.6054 16.7849 k = 0.1429 0.0000-0.3288 ( 1332 PWs) bands (ev): -42.5246 -42.5246 -18.8781 -18.8781 -18.7507 -18.7507 -18.6019 -18.6019 9.3302 9.3302 11.1753 11.1753 11.6966 11.6966 12.1992 12.1992 12.4434 12.4434 12.6895 12.6895 14.0344 14.0344 15.0703 15.0703 15.4892 15.4892 16.3661 16.3661 16.5978 16.5978 k = 0.1429 0.0599 0.0000 ( 1341 PWs) bands (ev): -42.5466 -42.5035 -18.9046 -18.8964 -18.7263 -18.7107 -18.6205 -18.5835 7.3739 10.5319 10.9341 10.9956 11.0341 12.1038 12.2057 12.3184 12.6275 12.7473 12.8986 13.1498 13.7616 14.3046 14.7381 14.9178 15.1076 16.5548 16.6092 16.8669 17.2087 17.6441 k = 0.1429 0.0599 0.0658 ( 1335 PWs) bands (ev): -42.5455 -42.5045 -18.9078 -18.8895 -18.7324 -18.7096 -18.6197 -18.5843 7.4667 10.5171 10.9315 11.0642 11.0947 12.1091 12.1863 12.2816 12.6441 12.7240 12.7876 13.2110 13.7079 14.2514 14.7203 14.9378 15.1443 16.4841 16.5267 16.9031 17.0578 17.8024 k = 0.1429 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5423 -42.5075 -18.9094 -18.8798 -18.7445 -18.7117 -18.6171 -18.5870 7.7400 10.4786 10.9440 11.1627 11.3044 12.0025 12.1656 12.2670 12.5527 12.6694 12.7537 13.0719 13.6600 14.2417 14.6863 14.9872 15.1912 16.2554 16.4400 16.7601 16.9817 17.6166 k = 0.1429 0.0599 0.1973 ( 1335 PWs) bands (ev): -42.5374 -42.5121 -18.9053 -18.8736 -18.7534 -18.7190 -18.6129 -18.5909 8.1770 10.3522 10.9604 11.2892 11.5431 11.7970 12.1783 12.2449 12.4386 12.5592 12.6897 12.9025 13.7398 14.2220 14.7003 15.0757 15.1916 16.0388 16.3064 16.6073 16.8903 17.1354 k = 0.1429 0.0599 0.2631 ( 1332 PWs) bands (ev): -42.5312 -42.5179 -18.8965 -18.8757 -18.7531 -18.7308 -18.6077 -18.5961 8.7454 9.9788 11.0273 11.3220 11.6134 11.7556 12.1720 12.2160 12.3912 12.4754 12.6645 12.8168 13.8558 14.1085 14.8020 15.1098 15.2502 15.8229 16.2247 16.5782 16.6492 16.8139 k = 0.1429 0.0599-0.3288 ( 1332 PWs) bands (ev): -42.5245 -42.5245 -18.8852 -18.8852 -18.7438 -18.7438 -18.6019 -18.6019 9.3849 9.3849 11.1707 11.1707 11.7012 11.7012 12.1948 12.1948 12.4516 12.4516 12.6997 12.6997 13.9749 13.9749 14.9608 14.9608 15.5220 15.5220 16.3572 16.3572 16.6610 16.6610 k = 0.1429 0.1199 0.0000 ( 1329 PWs) bands (ev): -42.5448 -42.5052 -18.8970 -18.8863 -18.7332 -18.7226 -18.6187 -18.5849 7.5974 10.4564 11.0232 11.0256 11.0946 12.1212 12.1331 12.2276 12.5666 12.7372 12.7764 12.9144 13.9146 14.4168 14.7230 14.9164 15.0795 16.2934 16.4966 16.7758 17.1126 17.2646 k = 0.1429 0.1199 0.0658 ( 1333 PWs) bands (ev): -42.5438 -42.5062 -18.9066 -18.8762 -18.7447 -18.7139 -18.6180 -18.5858 7.6878 10.4653 11.0173 11.0943 11.1305 12.0468 12.1680 12.2365 12.5720 12.6277 12.7707 13.0288 13.7488 14.3895 14.6997 14.9359 15.1161 16.2558 16.4027 16.8439 16.9426 17.4315 k = 0.1429 0.1199 0.1315 ( 1338 PWs) bands (ev): -42.5408 -42.5088 -18.9158 -18.8681 -18.7556 -18.7074 -18.6157 -18.5884 7.9535 10.4760 11.0297 11.2122 11.2546 11.9183 12.1939 12.2334 12.4549 12.6276 12.7501 13.1858 13.3704 14.3307 14.6478 14.9759 15.1656 16.1672 16.2268 16.7693 16.9343 17.5253 k = 0.1429 0.1199 0.1973 ( 1337 PWs) bands (ev): -42.5363 -42.5131 -18.9183 -18.8721 -18.7547 -18.7078 -18.6120 -18.5921 8.3776 10.4114 11.0217 11.3106 11.4348 11.8021 12.1448 12.2138 12.4233 12.6018 12.7095 13.0149 13.3801 14.2208 14.6152 14.9823 15.1989 16.0375 16.1118 16.6717 16.9522 17.1964 k = 0.1429 0.1199 0.2631 ( 1335 PWs) bands (ev): -42.5307 -42.5184 -18.9134 -18.8861 -18.7430 -18.7151 -18.6073 -18.5967 8.9273 10.0976 11.0441 11.2800 11.5909 11.7737 12.1256 12.2084 12.4438 12.5203 12.6831 12.8332 13.5892 14.0303 14.6505 14.8958 15.3155 15.8324 16.1421 16.6592 16.7541 16.8864 k = 0.1429 0.1199-0.3288 ( 1332 PWs) bands (ev): -42.5245 -42.5245 -18.9016 -18.9016 -18.7278 -18.7278 -18.6021 -18.6021 9.5411 9.5411 11.1500 11.1500 11.7166 11.7166 12.1799 12.1799 12.4754 12.4754 12.7192 12.7192 13.8079 13.8079 14.7595 14.7595 15.5508 15.5508 16.3588 16.3588 16.7767 16.7767 k = 0.1429 0.1798 0.0000 ( 1326 PWs) bands (ev): -42.5423 -42.5076 -18.8870 -18.8715 -18.7435 -18.7399 -18.6163 -18.5873 7.9536 10.1791 11.1196 11.1598 11.1772 11.9546 12.1437 12.2103 12.3905 12.6328 12.7628 12.7875 14.0840 14.5346 14.7052 14.9129 15.0277 16.0250 16.3746 16.6045 16.8962 17.0470 k = 0.1429 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5414 -42.5084 -18.8998 -18.8638 -18.7569 -18.7233 -18.6156 -18.5879 8.0397 10.2192 11.1329 11.1773 11.2102 11.9197 12.1720 12.2085 12.3662 12.5921 12.7772 12.8325 13.9285 14.4739 14.6801 14.8780 15.1250 16.0028 16.2880 16.6615 16.8311 17.1396 k = 0.1429 0.1798 0.1315 ( 1336 PWs) bands (ev): -42.5388 -42.5108 -18.9160 -18.8662 -18.7578 -18.7094 -18.6137 -18.5901 8.2924 10.3181 11.1450 11.2216 11.3067 11.8588 12.1198 12.2175 12.3654 12.5960 12.7540 12.9190 13.5790 14.3301 14.6121 14.8476 15.2302 15.9874 16.1146 16.7589 16.7812 17.2199 k = 0.1429 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5348 -42.5144 -18.9256 -18.8829 -18.7441 -18.7022 -18.6107 -18.5934 8.6938 10.3946 11.0901 11.2500 11.4536 11.8139 12.0116 12.2406 12.4191 12.6125 12.7167 12.9587 13.2847 14.1392 14.5474 14.7796 15.2816 15.9368 16.0519 16.7361 16.8501 17.1195 k = 0.1429 0.1798 0.2631 ( 1337 PWs) bands (ev): -42.5299 -42.5191 -18.9267 -18.9030 -18.7266 -18.7031 -18.6066 -18.5974 9.2089 10.2401 11.0288 11.2013 11.6175 11.7884 12.0486 12.2286 12.4577 12.5882 12.6920 12.8135 13.3575 13.8767 14.5342 14.6816 15.3814 15.7991 16.1154 16.6536 16.7985 16.9560 k = 0.1429 0.1798-0.3288 ( 1332 PWs) bands (ev): -42.5245 -42.5245 -18.9187 -18.9187 -18.7116 -18.7116 -18.6019 -18.6019 9.7714 9.7714 11.0981 11.0981 11.7414 11.7414 12.1550 12.1550 12.5105 12.5105 12.7190 12.7190 13.5924 13.5924 14.5874 14.5874 15.5782 15.5782 16.3271 16.3271 16.8765 16.8765 k = 0.1429 0.2398 0.0000 ( 1330 PWs) bands (ev): -42.5401 -42.5098 -18.8778 -18.8552 -18.7588 -18.7532 -18.6143 -18.5893 8.4040 9.7162 11.2195 11.2661 11.3145 11.8542 12.1323 12.1814 12.2050 12.5885 12.7032 12.7628 14.2558 14.6201 14.6885 14.9088 14.9735 15.8143 16.2888 16.4465 16.6251 17.0095 k = 0.1429 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5393 -42.5105 -18.8896 -18.8578 -18.7612 -18.7371 -18.6136 -18.5897 8.4838 9.7763 11.2377 11.2813 11.3274 11.8470 12.0828 12.1876 12.2373 12.5663 12.7365 12.7616 14.1363 14.4832 14.6802 14.7941 15.1648 15.8195 16.1772 16.4772 16.6915 17.0218 k = 0.1429 0.2398 0.1315 ( 1332 PWs) bands (ev): -42.5370 -42.5125 -18.9100 -18.8748 -18.7479 -18.7181 -18.6121 -18.5916 8.7169 9.9428 11.2031 11.3582 11.3871 11.8388 11.9346 12.2168 12.3252 12.5694 12.7265 12.7866 13.8336 14.2459 14.5936 14.7179 15.3291 15.8279 16.0513 16.5454 16.7597 17.0354 k = 0.1429 0.2398 0.1973 ( 1334 PWs) bands (ev): -42.5335 -42.5157 -18.9259 -18.8981 -18.7281 -18.7040 -18.6093 -18.5946 9.0830 10.1663 11.0742 11.3837 11.5070 11.7841 11.8808 12.2607 12.4219 12.5837 12.6738 12.8173 13.4774 13.9935 14.5021 14.6312 15.3867 15.7850 16.0974 16.5949 16.7899 17.0020 k = 0.1429 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.5291 -42.5198 -18.9333 -18.9183 -18.7109 -18.6976 -18.6057 -18.5981 9.5418 10.2871 10.9206 11.2231 11.6558 11.7863 11.9704 12.2646 12.4591 12.6082 12.6439 12.7727 13.3079 13.7015 14.4595 14.5460 15.4790 15.7530 16.1137 16.4695 16.8594 16.9613 k = 0.1429 0.2398-0.3288 ( 1332 PWs) bands (ev): -42.5244 -42.5244 -18.9307 -18.9307 -18.7001 -18.7001 -18.6020 -18.6020 10.0132 10.0132 11.0121 11.0121 11.7634 11.7634 12.1295 12.1295 12.5520 12.5520 12.6747 12.6747 13.4335 13.4335 14.4806 14.4806 15.6421 15.6421 16.2184 16.2184 16.9333 16.9333 k = 0.1429-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5391 -42.5108 -18.8738 -18.8468 -18.7676 -18.7572 -18.6135 -18.5903 8.7375 9.3642 11.2548 11.3132 11.3983 11.8298 12.0454 12.1632 12.1922 12.5734 12.6907 12.7438 14.3417 14.6513 14.6780 14.9070 14.9488 15.7288 16.2590 16.3870 16.5208 16.9969 k = 0.1429-0.2997 0.0658 ( 1326 PWs) bands (ev): -42.5383 -42.5114 -18.8836 -18.8584 -18.7573 -18.7476 -18.6128 -18.5907 8.8107 9.4348 11.2889 11.3101 11.4105 11.8300 11.9840 12.1743 12.2269 12.5566 12.7105 12.7485 14.2647 14.4380 14.7057 14.7366 15.1915 15.7454 16.1312 16.3945 16.6339 16.9956 k = 0.1429-0.2997 0.1315 ( 1332 PWs) bands (ev): -42.5362 -42.5133 -18.9041 -18.8827 -18.7362 -18.7282 -18.6116 -18.5925 9.0230 9.6358 11.2385 11.3846 11.4937 11.8125 11.8386 12.2071 12.3177 12.5578 12.6976 12.7666 14.0450 14.0966 14.5979 14.6570 15.4043 15.7218 16.0597 16.4230 16.7533 16.9827 k = 0.1429-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5329 -42.5163 -18.9232 -18.9071 -18.7162 -18.7108 -18.6085 -18.5949 9.3521 9.9308 11.0751 11.5170 11.5687 11.6363 11.8670 12.2667 12.4347 12.5319 12.6530 12.7966 13.6138 13.8755 14.4861 14.5795 15.4855 15.6607 16.1865 16.4135 16.8152 16.9536 k = 0.1429-0.2997 0.2631 ( 1338 PWs) bands (ev): -42.5288 -42.5201 -18.9342 -18.9257 -18.7020 -18.6996 -18.6054 -18.5985 9.7532 10.2109 10.8777 11.2603 11.6705 11.7688 11.9415 12.2931 12.4583 12.5431 12.6476 12.7695 13.3349 13.6102 14.4322 14.5019 15.5946 15.6544 16.2047 16.2803 16.8932 16.9434 k = 0.1429-0.2997-0.3288 ( 1328 PWs) bands (ev): -42.5244 -42.5244 -18.9349 -18.9349 -18.6959 -18.6959 -18.6019 -18.6019 10.1323 10.1323 10.9555 10.9555 11.7713 11.7713 12.1185 12.1185 12.5957 12.5957 12.6185 12.6185 13.3823 13.3823 14.4450 14.4450 15.6945 15.6945 16.1363 16.1363 16.9501 16.9501 k = 0.2143 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.5331 -42.4894 -18.8944 -18.8865 -18.7336 -18.7129 -18.6979 -18.6878 7.8391 10.9437 11.0331 11.2088 11.2096 12.0101 12.0126 12.3672 12.5567 12.6301 12.9221 13.4092 13.4307 13.7043 14.8365 14.9896 15.5997 16.2304 16.2406 16.8630 17.3059 18.5017 k = 0.2143 0.0000 0.0658 ( 1349 PWs) bands (ev): -42.5320 -42.4904 -18.8925 -18.8839 -18.7328 -18.7150 -18.7003 -18.6887 7.9259 10.9057 11.0900 11.2436 11.2566 12.0057 12.0186 12.2904 12.5572 12.6166 12.8850 13.1567 13.5396 13.8519 14.8427 14.9830 15.6010 16.1610 16.2175 16.8487 17.1452 18.7104 k = 0.2143 0.0000 0.1315 ( 1333 PWs) bands (ev): -42.5288 -42.4934 -18.8873 -18.8768 -18.7319 -18.7201 -18.7067 -18.6919 8.1816 10.8543 11.1536 11.3399 11.4120 11.9419 12.0219 12.1889 12.4800 12.5695 12.7225 12.8765 13.7381 14.0485 14.8645 14.9717 15.6019 16.0348 16.1555 16.6735 16.9390 18.1093 k = 0.2143 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.5238 -42.4981 -18.8799 -18.8687 -18.7366 -18.7203 -18.7174 -18.6970 8.5916 10.7223 11.1891 11.4811 11.6433 11.7640 12.0056 12.1664 12.2655 12.3796 12.5699 12.8392 13.9249 14.2211 14.9227 14.9794 15.5890 15.9743 16.0949 16.3628 16.7725 17.4192 k = 0.2143 0.0000 0.2631 ( 1331 PWs) bands (ev): -42.5176 -42.5041 -18.8707 -18.8632 -18.7414 -18.7297 -18.7156 -18.7028 9.1282 10.3332 11.2474 11.5412 11.6635 11.8527 11.9813 12.1087 12.1240 12.3499 12.5247 12.6882 14.0900 14.2866 15.0394 15.0748 15.5333 15.8980 16.1262 16.2015 16.5516 16.8612 k = 0.2143 0.0000-0.3288 ( 1336 PWs) bands (ev): -42.5109 -42.5109 -18.8643 -18.8643 -18.7392 -18.7392 -18.7093 -18.7093 9.7417 9.7417 11.3714 11.3714 11.8165 11.8165 12.0004 12.0004 12.3115 12.3115 12.5155 12.5155 14.2233 14.2233 15.1390 15.1390 15.6225 15.6225 16.2617 16.2617 16.4798 16.4798 k = 0.2143 0.0599 0.0000 ( 1353 PWs) bands (ev): -42.5325 -42.4900 -18.8916 -18.8827 -18.7329 -18.7157 -18.7015 -18.6886 7.9097 10.9393 11.0570 11.2094 11.2308 11.9976 12.0171 12.2925 12.5365 12.6546 12.8309 13.1243 13.7078 13.8063 14.8457 14.9888 15.5881 16.1742 16.1953 16.8446 17.2280 18.1929 k = 0.2143 0.0599 0.0658 ( 1344 PWs) bands (ev): -42.5314 -42.4910 -18.8947 -18.8763 -18.7325 -18.7197 -18.7004 -18.6894 7.9953 10.9093 11.1083 11.2467 11.2682 11.9786 12.0280 12.2379 12.5450 12.6153 12.7745 13.1846 13.4861 13.9964 14.8531 14.9839 15.5851 16.0845 16.1948 16.8465 17.0662 18.3847 k = 0.2143 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5283 -42.4939 -18.8954 -18.8666 -18.7356 -18.7247 -18.7019 -18.6923 8.2475 10.8609 11.1713 11.3561 11.3886 11.9002 12.0394 12.1568 12.4593 12.5487 12.6879 13.0222 13.5332 14.1730 14.8712 14.9769 15.5682 15.9513 16.1491 16.6851 16.9046 18.2185 k = 0.2143 0.0599 0.1973 ( 1338 PWs) bands (ev): -42.5235 -42.4985 -18.8912 -18.8604 -18.7423 -18.7219 -18.7081 -18.6969 8.6514 10.7329 11.1983 11.5044 11.5404 11.7965 12.0159 12.0965 12.3417 12.3985 12.5780 12.8765 13.7482 14.2811 14.9131 15.0028 15.5061 15.9215 16.0822 16.4212 16.7952 17.4975 k = 0.2143 0.0599 0.2631 ( 1336 PWs) bands (ev): -42.5174 -42.5043 -18.8823 -18.8623 -18.7415 -18.7210 -18.7142 -18.7030 9.1790 10.3565 11.2383 11.4786 11.6742 11.8641 11.9999 12.0545 12.2281 12.3477 12.5333 12.7068 13.9713 14.2719 14.9886 15.1252 15.4163 15.8952 16.0690 16.3386 16.6125 16.8981 k = 0.2143 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.5108 -42.5108 -18.8714 -18.8714 -18.7324 -18.7324 -18.7092 -18.7092 9.7802 9.7802 11.3397 11.3397 11.8318 11.8318 12.0108 12.0108 12.3184 12.3184 12.5362 12.5362 14.1558 14.1558 15.1029 15.1029 15.5846 15.5846 16.3422 16.3422 16.5057 16.5057 k = 0.2143 0.1199 0.0000 ( 1341 PWs) bands (ev): -42.5308 -42.4917 -18.8842 -18.8728 -18.7309 -18.7228 -18.7115 -18.6907 8.1176 10.8632 11.1266 11.2324 11.2892 11.9322 12.0289 12.1519 12.4549 12.6712 12.6722 12.8849 13.9882 14.0190 14.8734 14.9904 15.5537 16.0418 16.0966 16.7505 17.0654 17.6246 k = 0.2143 0.1199 0.0658 ( 1341 PWs) bands (ev): -42.5298 -42.4926 -18.8932 -18.8632 -18.7356 -18.7269 -18.7041 -18.6913 8.1997 10.8624 11.1514 11.2506 11.3288 11.8983 12.0371 12.1417 12.4809 12.5459 12.7064 12.9704 13.6976 14.2068 14.8795 14.9869 15.5381 15.9383 16.1261 16.7818 16.9041 17.8050 k = 0.2143 0.1199 0.1315 ( 1343 PWs) bands (ev): -42.5269 -42.4953 -18.9017 -18.8552 -18.7447 -18.7251 -18.6990 -18.6924 8.4411 10.8445 11.2129 11.2974 11.4308 11.8346 12.0582 12.0840 12.4034 12.5172 12.6823 13.1486 13.3343 14.3207 14.8917 14.9864 15.4646 15.8385 16.1085 16.6681 16.8269 18.0489 k = 0.2143 0.1199 0.1973 ( 1342 PWs) bands (ev): -42.5224 -42.4995 -18.9038 -18.8587 -18.7438 -18.7209 -18.7008 -18.6943 8.8264 10.7441 11.2317 11.3444 11.5647 11.8259 11.9888 12.0710 12.3451 12.4853 12.5964 13.0038 13.4207 14.3183 14.9080 15.0419 15.3266 15.8605 16.0671 16.4992 16.8157 17.6417 k = 0.2143 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.5169 -42.5048 -18.8986 -18.8721 -18.7320 -18.7160 -18.7060 -18.7007 9.3265 10.4167 11.2180 11.3217 11.7220 11.8812 12.0146 12.0476 12.3388 12.3697 12.5524 12.7668 13.7077 14.1851 14.9372 15.1502 15.2605 15.8404 16.1153 16.4768 16.7210 16.9905 k = 0.2143 0.1199-0.3288 ( 1334 PWs) bands (ev): -42.5108 -42.5108 -18.8871 -18.8871 -18.7181 -18.7181 -18.7077 -18.7077 9.8896 9.8896 11.2578 11.2578 11.8636 11.8636 12.0378 12.0378 12.3387 12.3387 12.5920 12.5920 13.9715 13.9715 15.0220 15.0220 15.5550 15.5550 16.4643 16.4643 16.5861 16.5861 k = 0.2143 0.1798 0.0000 ( 1330 PWs) bands (ev): -42.5284 -42.4940 -18.8740 -18.8578 -18.7325 -18.7321 -18.7240 -18.6931 8.4487 10.5853 11.2325 11.3068 11.3693 11.8251 12.0413 12.0570 12.2865 12.5779 12.6333 12.7542 14.2413 14.2855 14.9095 14.9956 15.5036 15.9444 15.9587 16.5615 16.9141 17.0766 k = 0.2143 0.1798 0.0658 ( 1335 PWs) bands (ev): -42.5275 -42.4948 -18.8863 -18.8505 -18.7460 -18.7258 -18.7130 -18.6939 8.5248 10.6085 11.2203 11.3249 11.4090 11.8107 12.0275 12.0697 12.3180 12.5055 12.6723 12.7816 13.9849 14.4078 14.9167 14.9897 15.4745 15.8261 16.0400 16.5756 16.7808 17.2671 k = 0.2143 0.1798 0.1315 ( 1343 PWs) bands (ev): -42.5249 -42.4972 -18.9016 -18.8528 -18.7468 -18.7233 -18.7011 -18.6942 8.7478 10.6599 11.2006 11.3494 11.5031 11.8020 11.9848 12.0710 12.3392 12.4869 12.6698 12.8833 13.6088 14.4215 14.9268 14.9886 15.3461 15.8089 16.0406 16.5731 16.7353 17.4743 k = 0.2143 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5210 -42.5008 -18.9107 -18.8687 -18.7332 -18.7191 -18.7009 -18.6899 9.1010 10.6708 11.1657 11.2992 11.6281 11.8505 11.9219 12.0983 12.3297 12.5224 12.5940 13.0705 13.2573 14.2830 14.9036 15.0654 15.2137 15.8744 16.0334 16.5446 16.7754 17.4724 k = 0.2143 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.5161 -42.5055 -18.9112 -18.8885 -18.7181 -18.7129 -18.7043 -18.6908 9.5531 10.4786 11.1223 11.2095 11.7747 11.9105 11.9781 12.1100 12.3228 12.4651 12.5732 12.8787 13.4282 14.0270 14.8941 15.0379 15.3245 15.8806 16.1086 16.5870 16.7652 17.0225 k = 0.2143 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.5108 -42.5108 -18.9037 -18.9037 -18.7114 -18.7114 -18.6990 -18.6990 10.0485 10.0485 11.1467 11.1467 11.8947 11.8947 12.0683 12.0683 12.3594 12.3594 12.6748 12.6748 13.7307 13.7307 14.9413 14.9413 15.6140 15.6140 16.4780 16.4780 16.7011 16.7011 k = 0.2143 0.2398 0.0000 ( 1323 PWs) bands (ev): -42.5262 -42.4962 -18.8647 -18.8414 -18.7470 -18.7421 -18.7238 -18.6951 8.8664 10.1329 11.3500 11.3949 11.4412 11.7955 11.9746 12.0209 12.1397 12.5319 12.5836 12.6834 14.4134 14.5840 14.9402 14.9863 15.4545 15.8310 15.9352 16.3593 16.6287 16.8148 k = 0.2143 0.2398 0.0658 ( 1329 PWs) bands (ev): -42.5254 -42.4969 -18.8763 -18.8444 -18.7500 -18.7263 -18.7231 -18.6961 8.9337 10.1731 11.3186 11.4216 11.4728 11.7912 11.9518 12.0300 12.1912 12.4820 12.6161 12.6910 14.2341 14.5796 14.9538 14.9810 15.4386 15.7785 15.9626 16.3686 16.6244 16.9097 k = 0.2143 0.2398 0.1315 ( 1337 PWs) bands (ev): -42.5232 -42.4989 -18.8956 -18.8612 -18.7371 -18.7212 -18.7080 -18.6972 9.1299 10.2824 11.2412 11.4582 11.5473 11.7851 11.9134 12.0624 12.2798 12.4538 12.6442 12.7192 13.8751 14.4556 14.9496 14.9854 15.3365 15.8323 15.9578 16.4454 16.6482 17.0353 k = 0.2143 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.5197 -42.5021 -18.9107 -18.8837 -18.7201 -18.7159 -18.7020 -18.6918 9.4363 10.4221 11.1051 11.3775 11.6683 11.8261 11.9171 12.1257 12.3247 12.4836 12.5793 12.8825 13.4774 14.1919 14.8929 14.9972 15.3390 15.8258 16.0962 16.5429 16.6813 17.0493 k = 0.2143 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5154 -42.5061 -18.9174 -18.9032 -18.7146 -18.7072 -18.6979 -18.6857 9.8180 10.4665 10.9675 11.2012 11.8171 11.9176 11.9603 12.1900 12.3052 12.4411 12.6196 12.9805 13.2696 13.8530 14.8613 14.9514 15.5053 15.9748 16.0674 16.6477 16.6870 16.8784 k = 0.2143 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.5107 -42.5107 -18.9151 -18.9151 -18.7102 -18.7102 -18.6884 -18.6884 10.2114 10.2114 11.0320 11.0320 11.9193 11.9193 12.0876 12.0876 12.3654 12.3654 12.7695 12.7695 13.5188 13.5188 14.8859 14.8859 15.7823 15.7823 16.3494 16.3494 16.7734 16.7734 k = 0.2143-0.2997 0.0000 ( 1320 PWs) bands (ev): -42.5253 -42.4971 -18.8609 -18.8329 -18.7556 -18.7460 -18.7230 -18.6959 9.1696 9.8038 11.4117 11.4351 11.4685 11.8238 11.9140 11.9679 12.1135 12.5162 12.5663 12.6528 14.4809 14.7586 14.9472 14.9523 15.4319 15.7768 15.9591 16.3321 16.3687 16.7804 k = 0.2143-0.2997 0.0658 ( 1322 PWs) bands (ev): -42.5245 -42.4977 -18.8702 -18.8446 -18.7459 -18.7364 -18.7222 -18.6964 9.2287 9.8556 11.3766 11.4685 11.4888 11.8032 11.9084 11.9885 12.1585 12.4751 12.5882 12.6629 14.3367 14.6599 14.9574 14.9808 15.4444 15.7682 15.9064 16.3573 16.4429 16.8223 k = 0.2143-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5224 -42.4996 -18.8897 -18.8687 -18.7258 -18.7209 -18.7167 -18.6984 9.3995 10.0016 11.2742 11.5143 11.5556 11.7560 11.9142 12.0459 12.2528 12.4376 12.6334 12.6682 13.9971 14.4464 14.9625 14.9665 15.4064 15.7731 15.9614 16.4330 16.5480 16.8803 k = 0.2143-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5192 -42.5026 -18.9077 -18.8923 -18.7175 -18.7085 -18.6991 -18.6986 9.6627 10.2103 11.1004 11.4148 11.6915 11.7836 11.9407 12.1380 12.3420 12.4207 12.5801 12.8219 13.5928 14.1290 14.8905 14.9618 15.5063 15.6774 16.2473 16.4885 16.5975 16.8719 k = 0.2143-0.2997 0.2631 ( 1336 PWs) bands (ev): -42.5151 -42.5064 -18.9182 -18.9103 -18.7141 -18.7067 -18.6896 -18.6878 9.9820 10.3908 10.9188 11.2006 11.8593 11.8715 11.9740 12.2447 12.3026 12.3885 12.6458 12.9818 13.2752 13.7634 14.8488 14.9220 15.7519 15.7533 16.3135 16.4021 16.6873 16.8219 k = 0.2143-0.2997-0.3288 ( 1316 PWs) bands (ev): -42.5107 -42.5107 -18.9187 -18.9187 -18.7097 -18.7097 -18.6839 -18.6839 10.2897 10.2897 10.9744 10.9744 11.9301 11.9301 12.0921 12.0921 12.3644 12.3644 12.8195 12.8195 13.4276 13.4276 14.8668 14.8668 15.9659 15.9659 16.1691 16.1691 16.7950 16.7950 k = 0.2857 0.0000 0.0000 ( 1360 PWs) bands (ev): -42.5174 -42.4744 -18.8800 -18.8713 -18.8556 -18.8062 -18.7014 -18.6835 8.5473 11.1717 11.3872 11.3880 11.4432 11.8166 11.9347 12.3195 12.4705 12.5706 12.8508 13.2295 13.2663 13.5019 14.7475 15.1726 15.7851 15.8389 16.3150 16.8518 17.3512 19.2870 k = 0.2857 0.0000 0.0658 ( 1347 PWs) bands (ev): -42.5163 -42.4754 -18.8780 -18.8689 -18.8541 -18.8071 -18.7032 -18.6855 8.6224 11.1882 11.4064 11.4139 11.4488 11.8186 11.9506 12.2455 12.4666 12.5465 12.8960 12.9260 13.2861 13.7615 14.7549 15.1636 15.7602 15.8414 16.2994 16.8447 17.1845 19.5035 k = 0.2857 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5132 -42.4784 -18.8724 -18.8622 -18.8505 -18.8102 -18.7099 -18.6927 8.8435 11.2122 11.4531 11.4832 11.4845 11.8068 11.9669 12.1459 12.4019 12.4290 12.5627 12.9215 13.3968 14.0929 14.7768 15.1551 15.6887 15.8691 16.2643 16.7154 16.9120 18.7444 k = 0.2857 0.0000 0.1973 ( 1343 PWs) bands (ev): -42.5083 -42.4830 -18.8647 -18.8544 -18.8445 -18.8153 -18.7191 -18.7036 9.1981 11.1297 11.4861 11.5694 11.5756 11.7497 11.9061 12.1181 12.1992 12.2992 12.4586 12.7919 13.6497 14.3931 14.8147 15.1745 15.5948 15.9653 16.2438 16.3351 16.7828 17.8565 k = 0.2857 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.5023 -42.4890 -18.8555 -18.8491 -18.8365 -18.8214 -18.7252 -18.7155 9.6638 10.7502 11.4903 11.6013 11.6831 11.7227 11.9340 12.1113 12.1645 12.2319 12.3908 12.5629 13.9722 14.4796 14.9797 15.2133 15.5269 15.9280 16.1705 16.2796 16.6326 17.1298 k = 0.2857 0.0000-0.3288 ( 1350 PWs) bands (ev): -42.4956 -42.4956 -18.8498 -18.8498 -18.8289 -18.8289 -18.7241 -18.7241 10.2042 10.2042 11.5353 11.5353 11.7450 11.7450 12.0311 12.0311 12.2382 12.2382 12.3666 12.3666 14.2822 14.2822 15.1975 15.1975 15.6013 15.6013 16.3590 16.3590 16.6302 16.6302 k = 0.2857 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.5168 -42.4750 -18.8772 -18.8677 -18.8546 -18.8070 -18.7036 -18.6867 8.6087 11.1866 11.3575 11.3902 11.4666 11.7966 11.9366 12.2663 12.4452 12.5855 12.7216 13.0785 13.3926 13.7151 14.7695 15.1627 15.7958 15.8082 16.2935 16.8342 17.2733 18.8114 k = 0.2857 0.0599 0.0658 ( 1345 PWs) bands (ev): -42.5158 -42.4760 -18.8797 -18.8616 -18.8534 -18.8080 -18.7082 -18.6861 8.6818 11.1957 11.3740 11.4074 11.4791 11.7906 11.9580 12.1917 12.4585 12.5299 12.7440 13.0629 13.2597 13.8933 14.7756 15.1537 15.7257 15.8551 16.2770 16.8339 17.1084 18.9912 k = 0.2857 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.5127 -42.4789 -18.8800 -18.8522 -18.8493 -18.8109 -18.7182 -18.6879 8.8971 11.2069 11.3925 11.4431 11.5427 11.7762 11.9800 12.0915 12.3768 12.4671 12.6094 13.0028 13.2988 14.1643 14.7919 15.1506 15.6361 15.8993 16.2344 16.7203 16.8629 18.8429 k = 0.2857 0.0599 0.1973 ( 1342 PWs) bands (ev): -42.5080 -42.4834 -18.8755 -18.8470 -18.8426 -18.8156 -18.7261 -18.6946 9.2415 11.1073 11.3937 11.4653 11.6446 11.7706 11.9244 12.1079 12.2717 12.3403 12.4729 12.8319 13.5770 14.4140 14.8241 15.1833 15.5478 15.9841 16.1580 16.4118 16.7757 17.9309 k = 0.2857 0.0599 0.2631 ( 1338 PWs) bands (ev): -42.5021 -42.4891 -18.8666 -18.8481 -18.8358 -18.8216 -18.7256 -18.7053 9.6922 10.7318 11.4001 11.4512 11.7542 11.8046 11.9860 12.1307 12.2002 12.2410 12.4147 12.5985 13.9157 14.4504 14.9979 15.2320 15.4934 15.8787 16.1912 16.3404 16.6475 17.1753 k = 0.2857 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4956 -42.4956 -18.8561 -18.8561 -18.8285 -18.8285 -18.7173 -18.7173 10.2115 10.2115 11.4222 11.4222 11.8280 11.8280 12.0585 12.0585 12.2407 12.2407 12.4108 12.4108 14.2358 14.2358 15.2160 15.2160 15.5754 15.5754 16.4054 16.4054 16.6470 16.6470 k = 0.2857 0.1199 0.0000 ( 1338 PWs) bands (ev): -42.5151 -42.4766 -18.8699 -18.8574 -18.8518 -18.8090 -18.7104 -18.6974 8.7893 11.2294 11.2669 11.3809 11.5193 11.7081 11.9406 12.1928 12.3456 12.5718 12.5835 12.8709 13.6687 14.0334 14.8285 15.1525 15.7200 15.8353 16.2327 16.7556 17.0866 18.0681 k = 0.2857 0.1199 0.0658 ( 1340 PWs) bands (ev): -42.5142 -42.4775 -18.8779 -18.8508 -18.8485 -18.8100 -18.7196 -18.6901 8.8565 11.2036 11.2804 11.3959 11.5324 11.7072 11.9693 12.1130 12.4268 12.4626 12.6744 12.8815 13.5325 14.1440 14.8306 15.1458 15.6439 15.8880 16.2146 16.7609 16.9420 18.2300 k = 0.2857 0.1199 0.1315 ( 1340 PWs) bands (ev): -42.5113 -42.4802 -18.8857 -18.8478 -18.8401 -18.8127 -18.7292 -18.6836 9.0541 11.1890 11.2222 11.4168 11.5868 11.7342 11.9846 12.0695 12.3487 12.4787 12.6467 13.0528 13.2887 14.3244 14.8306 15.1584 15.5386 15.9434 16.1589 16.6767 16.7783 18.5233 k = 0.2857 0.1199 0.1973 ( 1345 PWs) bands (ev): -42.5070 -42.4843 -18.8876 -18.8463 -18.8395 -18.8170 -18.7279 -18.6838 9.3683 11.0362 11.1974 11.3790 11.6680 11.8007 11.9937 12.1264 12.2723 12.4712 12.4939 13.0083 13.3995 14.4520 14.8637 15.2209 15.4627 15.9729 16.0881 16.4881 16.7502 18.0888 k = 0.2857 0.1199 0.2631 ( 1343 PWs) bands (ev): -42.5015 -42.4896 -18.8822 -18.8572 -18.8350 -18.8223 -18.7165 -18.6906 9.7749 10.6875 11.2163 11.2997 11.7878 11.8835 12.0834 12.1545 12.2566 12.2973 12.4834 12.7511 13.7674 14.3681 15.0683 15.2784 15.4323 15.8079 16.2263 16.4479 16.6720 17.2795 k = 0.2857 0.1199-0.3288 ( 1344 PWs) bands (ev): -42.4956 -42.4956 -18.8714 -18.8714 -18.8286 -18.8286 -18.7024 -18.7024 10.2354 10.2354 11.2464 11.2464 11.8995 11.8995 12.1256 12.1256 12.2534 12.2534 12.5519 12.5519 14.1103 14.1103 15.2734 15.2734 15.5323 15.5323 16.4974 16.4974 16.6871 16.6871 k = 0.2857 0.1798 0.0000 ( 1333 PWs) bands (ev): -42.5128 -42.4789 -18.8599 -18.8485 -18.8425 -18.8121 -18.7201 -18.7133 9.0757 10.9961 11.2941 11.3839 11.5473 11.6591 11.9369 12.1648 12.1919 12.4994 12.5410 12.7392 13.9433 14.3870 14.9077 15.1699 15.5893 15.9200 16.1438 16.5950 16.8783 17.3846 k = 0.2857 0.1798 0.0658 ( 1339 PWs) bands (ev): -42.5120 -42.4797 -18.8711 -18.8476 -18.8357 -18.8128 -18.7313 -18.6995 9.1331 10.9695 11.2796 11.3976 11.5520 11.6820 11.9677 12.0647 12.3406 12.4276 12.6130 12.7241 13.8458 14.4402 14.9023 15.1694 15.5287 15.9575 16.1319 16.5588 16.8007 17.5356 k = 0.2857 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.5095 -42.4820 -18.8853 -18.8456 -18.8367 -18.8150 -18.7315 -18.6855 9.3009 10.9207 11.2055 11.3946 11.5825 11.7458 12.0115 12.0711 12.3317 12.4607 12.6257 12.8460 13.6197 14.5133 14.8888 15.2066 15.4400 15.9700 16.1019 16.5074 16.7311 17.7746 k = 0.2857 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.5056 -42.4857 -18.8937 -18.8545 -18.8386 -18.8184 -18.7183 -18.6781 9.5654 10.8502 11.0827 11.3011 11.6648 11.8314 12.0913 12.1445 12.2822 12.4666 12.5415 13.1669 13.3509 14.4543 14.9761 15.2819 15.4036 15.9024 16.1165 16.4962 16.7016 17.8698 k = 0.2857 0.1798 0.2631 ( 1340 PWs) bands (ev): -42.5008 -42.4903 -18.8943 -18.8723 -18.8338 -18.8230 -18.7011 -18.6789 9.9034 10.6304 11.0332 11.1749 11.7979 11.9309 12.1119 12.2332 12.2774 12.3216 12.6110 13.0306 13.5775 14.2419 15.2153 15.3203 15.3969 15.8229 16.2385 16.5249 16.6695 17.3247 k = 0.2857 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.4955 -42.4955 -18.8868 -18.8868 -18.8284 -18.8284 -18.6871 -18.6871 10.2782 10.2782 11.0796 11.0796 11.9312 11.9312 12.1477 12.1477 12.2951 12.2951 12.7815 12.7815 13.9374 13.9374 15.3348 15.3348 15.5739 15.5739 16.5662 16.5662 16.7040 16.7040 k = 0.2857 0.2398 0.0000 ( 1337 PWs) bands (ev): -42.5107 -42.4809 -18.8507 -18.8452 -18.8266 -18.8152 -18.7304 -18.7300 9.4335 10.5806 11.3637 11.4039 11.5243 11.7152 11.9022 12.0896 12.1500 12.4613 12.4965 12.6591 14.1625 14.7488 14.9770 15.1808 15.4572 16.0472 16.0797 16.4020 16.7198 16.8207 k = 0.2857 0.2398 0.0658 ( 1342 PWs) bands (ev): -42.5100 -42.4816 -18.8615 -18.8448 -18.8291 -18.8163 -18.7349 -18.7128 9.4766 10.5780 11.3246 11.4231 11.5206 11.7280 11.9562 12.0267 12.2694 12.4169 12.5443 12.6443 14.0958 14.7521 14.9719 15.1934 15.4115 16.0517 16.0880 16.3344 16.6749 16.9834 k = 0.2857 0.2398 0.1315 ( 1338 PWs) bands (ev): -42.5078 -42.4837 -18.8794 -18.8481 -18.8393 -18.8174 -18.7222 -18.6939 9.6027 10.5807 11.2166 11.3837 11.5527 11.7778 12.0437 12.0879 12.3263 12.4055 12.5936 12.7084 13.9176 14.6463 15.0132 15.2530 15.3743 15.9170 16.1684 16.3396 16.6599 17.1746 k = 0.2857 0.2398 0.1973 ( 1336 PWs) bands (ev): -42.5044 -42.4869 -18.8935 -18.8680 -18.8370 -18.8199 -18.7032 -18.6799 9.8012 10.5953 11.0429 11.2488 11.6542 11.8629 12.1157 12.2259 12.2932 12.3974 12.5979 12.9957 13.6699 14.3881 15.1639 15.3032 15.4319 15.8168 16.2310 16.4318 16.6457 17.2520 k = 0.2857 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5001 -42.4909 -18.9000 -18.8863 -18.8327 -18.8235 -18.6864 -18.6735 10.0540 10.5494 10.9043 11.0870 11.7999 11.9640 12.1225 12.2301 12.3061 12.3417 12.7776 13.2450 13.4770 14.0778 15.3023 15.3748 15.4869 15.9598 16.2126 16.5496 16.6321 17.0663 k = 0.2857 0.2398-0.3288 ( 1334 PWs) bands (ev): -42.4955 -42.4955 -18.8975 -18.8975 -18.8280 -18.8280 -18.6759 -18.6759 10.3295 10.3295 10.9494 10.9494 11.9545 11.9545 12.1257 12.1257 12.3373 12.3373 13.0365 13.0365 13.7460 13.7460 15.3352 15.3352 15.8029 15.8029 16.5207 16.5207 16.6597 16.6597 k = 0.2857-0.2997 0.0000 ( 1342 PWs) bands (ev): -42.5099 -42.4818 -18.8467 -18.8439 -18.8179 -18.8176 -18.7390 -18.7341 9.6840 10.2999 11.3984 11.4186 11.5110 11.7472 11.8687 12.0658 12.1412 12.4479 12.4800 12.6284 14.2528 14.9916 15.0047 15.1102 15.3970 16.0063 16.2235 16.3893 16.4441 16.6603 k = 0.2857-0.2997 0.0658 ( 1344 PWs) bands (ev): -42.5091 -42.4825 -18.8558 -18.8435 -18.8291 -18.8178 -18.7299 -18.7241 9.7142 10.3155 11.3456 11.4643 11.4780 11.7491 11.9512 12.0107 12.2434 12.4194 12.5121 12.6179 14.1960 14.9056 15.0791 15.1201 15.3614 16.0475 16.0844 16.4245 16.4574 16.7704 k = 0.2857-0.2997 0.1315 ( 1336 PWs) bands (ev): -42.5071 -42.4844 -18.8736 -18.8539 -18.8392 -18.8185 -18.7106 -18.7043 9.8042 10.3636 11.2237 11.3807 11.5375 11.7941 12.0337 12.1297 12.3156 12.3719 12.5832 12.6622 14.0445 14.6708 15.1637 15.2085 15.3713 15.8538 16.1717 16.4807 16.4893 16.9093 k = 0.2857-0.2997 0.1973 ( 1338 PWs) bands (ev): -42.5038 -42.4874 -18.8905 -18.8762 -18.8365 -18.8205 -18.6917 -18.6866 9.9505 10.4383 11.0315 11.2305 11.6492 11.8788 12.1151 12.2733 12.3253 12.3302 12.6316 12.9140 13.8331 14.3224 15.2743 15.2883 15.5556 15.6683 16.3645 16.4918 16.5214 16.9317 k = 0.2857-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4999 -42.4912 -18.9003 -18.8929 -18.8322 -18.8235 -18.6776 -18.6750 10.1435 10.4840 10.8632 11.0543 11.7998 11.9783 12.1519 12.1750 12.3409 12.3419 12.8885 13.1839 13.6018 13.9539 15.3037 15.3661 15.7102 15.8939 16.3908 16.5167 16.5567 16.7933 k = 0.2857-0.2997-0.3288 ( 1332 PWs) bands (ev): -42.4955 -42.4955 -18.9014 -18.9014 -18.8280 -18.8280 -18.6719 -18.6719 10.3556 10.3556 10.8963 10.8963 11.9666 11.9666 12.1095 12.1095 12.3528 12.3528 13.1813 13.1813 13.6281 13.6281 15.3282 15.3282 16.0540 16.0540 16.3125 16.3125 16.6581 16.6581 k = 0.3571 0.0000 0.0000 ( 1350 PWs) bands (ev): -42.5032 -42.4608 -18.9644 -18.9093 -18.8666 -18.8573 -18.6902 -18.6718 9.3629 11.2845 11.4659 11.5330 11.6608 11.8348 11.8769 12.2481 12.4016 12.6652 12.7696 12.8902 13.1938 13.5547 14.6555 15.1095 15.4584 15.5444 16.8344 17.0755 17.3954 19.5955 k = 0.3571 0.0000 0.0658 ( 1352 PWs) bands (ev): -42.5022 -42.4618 -18.9630 -18.9107 -18.8649 -18.8553 -18.6921 -18.6741 9.4184 11.2826 11.4721 11.5445 11.6676 11.7698 11.9823 12.1988 12.4161 12.6071 12.7075 12.8716 13.1283 13.7380 14.6718 15.0571 15.4278 15.6645 16.8338 17.0538 17.2306 19.7085 k = 0.3571 0.0000 0.1315 ( 1346 PWs) bands (ev): -42.4991 -42.4648 -18.9584 -18.9141 -18.8589 -18.8490 -18.6985 -18.6814 9.5817 11.2842 11.4843 11.5590 11.6850 11.7332 12.0788 12.1397 12.3209 12.4242 12.5895 12.9292 13.1467 14.0469 14.7145 15.0060 15.3513 15.9039 16.7918 16.8863 16.9951 19.4201 k = 0.3571 0.0000 0.1973 ( 1341 PWs) bands (ev): -42.4943 -42.4694 -18.9516 -18.9191 -18.8505 -18.8412 -18.7062 -18.6922 9.8428 11.2602 11.4891 11.4924 11.7081 11.7655 11.8987 12.1254 12.2852 12.4056 12.5273 12.7099 13.4826 14.3535 14.7331 15.0100 15.2927 16.1630 16.3951 16.8268 16.9156 18.3975 k = 0.3571 0.0000 0.2631 ( 1342 PWs) bands (ev): -42.4884 -42.4753 -18.9432 -18.9260 -18.8412 -18.8355 -18.7123 -18.7036 10.1857 10.9989 11.4408 11.4803 11.7328 11.7893 11.8847 12.1501 12.2605 12.2803 12.5355 12.5800 13.8625 14.4884 14.7664 15.0300 15.3524 15.9203 16.5097 16.8003 16.8398 17.5589 k = 0.3571 0.0000-0.3288 ( 1346 PWs) bands (ev): -42.4818 -42.4818 -18.9344 -18.9344 -18.8356 -18.8356 -18.7115 -18.7115 10.5866 10.5866 11.4609 11.4609 11.7561 11.7561 12.0672 12.0672 12.1997 12.1997 12.5564 12.5564 14.2275 14.2275 14.9693 14.9693 15.5570 15.5570 16.7963 16.7963 16.9378 16.9378 k = 0.3571 0.0599 0.0000 ( 1351 PWs) bands (ev): -42.5026 -42.4614 -18.9637 -18.9105 -18.8641 -18.8536 -18.6927 -18.6754 9.4085 11.2889 11.4338 11.5048 11.6306 11.8621 11.8746 12.2408 12.3761 12.5862 12.6815 13.0584 13.1211 13.7200 14.6888 15.0472 15.5157 15.5891 16.8131 17.0472 17.3192 19.2962 k = 0.3571 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.5016 -42.4624 -18.9621 -18.9115 -18.8661 -18.8481 -18.6973 -18.6750 9.4606 11.2601 11.4574 11.5298 11.6373 11.7649 11.9831 12.1404 12.4150 12.6004 12.7104 12.9176 13.1339 13.8457 14.7032 14.9969 15.5573 15.6336 16.8141 16.9926 17.1968 19.4360 k = 0.3571 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.4986 -42.4652 -18.9573 -18.9147 -18.8659 -18.8388 -18.7061 -18.6766 9.6134 11.2268 11.4745 11.5555 11.6500 11.6913 11.9527 12.1654 12.4049 12.5231 12.6200 12.9876 13.0987 14.1049 14.7327 14.9644 15.4729 15.8722 16.7268 16.8194 17.0401 19.4652 k = 0.3571 0.0599 0.1973 ( 1339 PWs) bands (ev): -42.4940 -42.4697 -18.9505 -18.9195 -18.8613 -18.8326 -18.7133 -18.6830 9.8574 11.2056 11.3514 11.4697 11.6873 11.7238 11.9303 12.2238 12.3013 12.5068 12.5600 12.7649 13.4563 14.3865 14.7195 15.0283 15.3836 16.1330 16.3415 16.8024 16.9418 18.4305 k = 0.3571 0.0599 0.2631 ( 1342 PWs) bands (ev): -42.4882 -42.4754 -18.9427 -18.9263 -18.8523 -18.8339 -18.7131 -18.6933 10.1772 10.9429 11.2852 11.4019 11.7637 11.8180 11.9481 12.1626 12.2593 12.4391 12.5776 12.6220 13.8505 14.4831 14.7869 15.0902 15.3922 15.9015 16.4818 16.7862 16.8593 17.5682 k = 0.3571 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4818 -42.4818 -18.9340 -18.9340 -18.8419 -18.8419 -18.7047 -18.7047 10.5509 10.5509 11.3352 11.3352 11.8339 11.8339 12.0369 12.0369 12.3074 12.3074 12.6030 12.6030 14.2209 14.2209 15.0159 15.0159 15.5670 15.5670 16.7946 16.7946 16.9303 16.9303 k = 0.3571 0.1199 0.0000 ( 1349 PWs) bands (ev): -42.5010 -42.4630 -18.9606 -18.9129 -18.8571 -18.8434 -18.6998 -18.6863 9.5420 11.3024 11.3357 11.4605 11.5285 11.8645 11.9036 12.2419 12.2709 12.4616 12.7153 12.8719 13.4180 14.0120 14.7788 14.9879 15.4343 15.8435 16.7466 16.9602 17.1262 18.5643 k = 0.3571 0.1199 0.0658 ( 1345 PWs) bands (ev): -42.5001 -42.4639 -18.9590 -18.9137 -18.8643 -18.8351 -18.7084 -18.6792 9.5835 11.1992 11.3793 11.5155 11.5402 11.7650 11.9474 12.1051 12.4161 12.5687 12.7281 12.7999 13.3859 14.0825 14.7873 14.9443 15.5414 15.8139 16.7503 16.8197 17.1181 18.6739 k = 0.3571 0.1199 0.1315 ( 1339 PWs) bands (ev): -42.4973 -42.4665 -18.9547 -18.9164 -18.8712 -18.8274 -18.7170 -18.6725 9.7057 11.1050 11.3649 11.4656 11.5666 11.6943 11.9699 12.1311 12.4765 12.6166 12.6562 12.9895 13.2659 14.2593 14.7595 14.9770 15.6562 15.8323 16.5296 16.7611 17.0526 18.9066 k = 0.3571 0.1199 0.1973 ( 1341 PWs) bands (ev): -42.4930 -42.4707 -18.9488 -18.9207 -18.8727 -18.8302 -18.7155 -18.6723 9.9020 11.0608 11.1408 11.3475 11.6362 11.7305 12.0901 12.1509 12.3831 12.6103 12.6704 13.0496 13.4018 14.4818 14.7155 15.1187 15.5533 16.0638 16.2182 16.7582 16.9568 18.5107 k = 0.3571 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4877 -42.4759 -18.9415 -18.9266 -18.8672 -18.8422 -18.7045 -18.6785 10.1620 10.8071 11.0770 11.2364 11.7612 11.8134 12.0718 12.1414 12.3444 12.6345 12.7186 12.8459 13.8247 14.4837 14.8731 15.2380 15.4882 15.8606 16.4110 16.7611 16.8656 17.5960 k = 0.3571 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4818 -42.4818 -18.9337 -18.9337 -18.8564 -18.8564 -18.6904 -18.6904 10.4709 10.4709 11.1388 11.1388 11.8742 11.8742 12.0204 12.0204 12.5132 12.5132 12.7608 12.7608 14.2118 14.2118 15.1464 15.1464 15.5967 15.5967 16.7551 16.7551 16.9302 16.9302 k = 0.3571 0.1798 0.0000 ( 1340 PWs) bands (ev): -42.4988 -42.4652 -18.9561 -18.9166 -18.8472 -18.8282 -18.7095 -18.7015 9.7509 11.1605 11.3242 11.3792 11.4203 11.8374 11.9661 12.1447 12.2424 12.4144 12.7184 12.7680 13.7050 14.3387 14.9031 14.9902 15.3145 16.1210 16.6482 16.8091 16.8903 17.8618 k = 0.3571 0.1798 0.0658 ( 1342 PWs) bands (ev): -42.4980 -42.4660 -18.9549 -18.9171 -18.8573 -18.8224 -18.7195 -18.6883 9.7749 11.0621 11.2995 11.3748 11.5188 11.7999 11.9287 12.0769 12.4136 12.5117 12.6796 12.7627 13.7048 14.3770 14.8755 14.9818 15.4063 16.0924 16.5823 16.6642 17.0052 17.9255 k = 0.3571 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.4955 -42.4683 -18.9512 -18.9193 -18.8705 -18.8248 -18.7192 -18.6743 9.8489 10.9310 11.2244 11.3182 11.5556 11.7390 12.0398 12.0804 12.5061 12.6188 12.6916 12.8875 13.6728 14.4807 14.7871 15.0882 15.5657 16.0290 16.3204 16.6792 17.0073 18.0737 k = 0.3571 0.1798 0.1973 ( 1339 PWs) bands (ev): -42.4917 -42.4719 -18.9462 -18.9226 -18.8784 -18.8392 -18.7064 -18.6668 9.9765 10.8374 11.0176 11.2087 11.6110 11.7589 12.0766 12.2709 12.3525 12.6906 12.7853 13.1944 13.6122 14.5947 14.7907 15.2768 15.6228 16.0057 16.1470 16.6886 16.9211 18.1841 k = 0.3571 0.1798 0.2631 ( 1342 PWs) bands (ev): -42.4870 -42.4766 -18.9402 -18.9276 -18.8788 -18.8570 -18.6893 -18.6674 10.1595 10.6546 10.9141 11.0767 11.7347 11.8310 12.0284 12.1542 12.5039 12.7298 12.8962 13.1974 13.8354 14.4945 15.0489 15.4452 15.5769 15.8300 16.3436 16.6987 16.8193 17.5949 k = 0.3571 0.1798-0.3288 ( 1346 PWs) bands (ev): -42.4817 -42.4817 -18.9335 -18.9335 -18.8713 -18.8713 -18.6757 -18.6757 10.3929 10.3929 10.9657 10.9657 11.8688 11.8688 11.9965 11.9965 12.6770 12.6770 13.0283 13.0283 14.2101 14.2101 15.3565 15.3565 15.6455 15.6455 16.6681 16.6681 16.9149 16.9149 k = 0.3571 0.2398 0.0000 ( 1344 PWs) bands (ev): -42.4968 -42.4672 -18.9522 -18.9201 -18.8380 -18.8123 -18.7191 -18.7185 10.0031 10.8870 11.3056 11.3481 11.3843 11.7935 12.0410 12.0763 12.2178 12.3884 12.6510 12.7838 13.9347 14.6522 15.0095 15.0098 15.1990 16.3390 16.6144 16.6268 16.6927 17.3039 k = 0.3571 0.2398 0.0658 ( 1340 PWs) bands (ev): -42.4960 -42.4679 -18.9510 -18.9205 -18.8475 -18.8162 -18.7231 -18.7013 10.0031 10.8279 11.2611 11.2879 11.5053 11.8395 11.9260 12.0349 12.3861 12.4838 12.6188 12.7907 13.9680 14.6887 14.9230 15.0656 15.2589 16.2901 16.4260 16.6175 16.8722 17.3153 k = 0.3571 0.2398 0.1315 ( 1343 PWs) bands (ev): -42.4939 -42.4699 -18.9481 -18.9221 -18.8643 -18.8321 -18.7107 -18.6826 10.0163 10.7253 11.1452 11.2243 11.5483 11.7965 11.9781 12.1376 12.4891 12.6249 12.6763 12.8597 14.0394 14.7076 14.8481 15.2024 15.3919 16.0700 16.3655 16.6156 16.9184 17.3830 k = 0.3571 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.4905 -42.4731 -18.9438 -18.9248 -18.8779 -18.8527 -18.6916 -18.6687 10.0682 10.6457 10.9455 11.1060 11.5976 11.7917 12.0258 12.2512 12.4892 12.7219 12.8759 13.0969 14.0528 14.5974 14.9982 15.4346 15.5280 15.8978 16.3122 16.6278 16.8260 17.4452 k = 0.3571 0.2398 0.2631 ( 1339 PWs) bands (ev): -42.4863 -42.4772 -18.9386 -18.9285 -18.8841 -18.8706 -18.6751 -18.6623 10.1768 10.5331 10.8110 10.9636 11.7179 11.8425 12.0043 12.1012 12.6688 12.7790 13.0769 13.3281 14.0198 14.4596 15.3039 15.5893 15.6768 15.8434 16.3511 16.6011 16.7169 17.2870 k = 0.3571 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.4817 -42.4817 -18.9332 -18.9332 -18.8816 -18.8816 -18.6646 -18.6646 10.3433 10.3433 10.8466 10.8466 11.8647 11.8647 11.9629 11.9629 12.7718 12.7718 13.2767 13.2767 14.2074 14.2074 15.6226 15.6226 15.7261 15.7261 16.5777 16.5777 16.7795 16.7795 k = 0.3571-0.2997 0.0000 ( 1346 PWs) bands (ev): -42.4959 -42.4680 -18.9504 -18.9214 -18.8340 -18.8050 -18.7267 -18.7232 10.1650 10.7091 11.2865 11.3597 11.3697 11.7696 12.0584 12.0853 12.1918 12.3792 12.6271 12.7922 14.0299 14.8295 14.9832 15.0373 15.1623 16.3966 16.4863 16.6127 16.8230 16.9505 k = 0.3571-0.2997 0.0658 ( 1342 PWs) bands (ev): -42.4952 -42.4687 -18.9492 -18.9221 -18.8422 -18.8162 -18.7179 -18.7124 10.1452 10.6752 11.2511 11.2624 11.4991 11.8581 11.9242 12.0141 12.3697 12.4807 12.5995 12.8017 14.0765 14.8859 14.9717 15.0068 15.2037 16.2562 16.4313 16.7587 16.8504 16.9178 k = 0.3571-0.2997 0.1315 ( 1342 PWs) bands (ev): -42.4932 -42.4706 -18.9466 -18.9233 -18.8589 -18.8388 -18.6993 -18.6929 10.1145 10.6107 11.1218 11.1915 11.5457 11.8414 11.9248 12.1616 12.5126 12.5691 12.6838 12.8648 14.2035 14.7463 15.0720 15.0806 15.3454 16.0011 16.5130 16.6823 16.8263 17.0199 k = 0.3571-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4900 -42.4736 -18.9428 -18.9256 -18.8746 -18.8609 -18.6804 -18.6750 10.1209 10.5595 10.9208 11.0686 11.5932 11.8089 12.0041 12.2231 12.6036 12.6920 12.9181 13.0378 14.3524 14.4759 15.1937 15.3317 15.5741 15.8288 16.5670 16.5790 16.7096 17.0735 k = 0.3571-0.2997 0.2631 ( 1340 PWs) bands (ev): -42.4861 -42.4774 -18.9381 -18.9290 -18.8845 -18.8774 -18.6667 -18.6636 10.1916 10.4825 10.7757 10.9226 11.7119 11.8474 12.0022 12.0698 12.7523 12.7736 13.2295 13.2480 14.2395 14.3481 15.4885 15.5544 15.7581 15.8819 16.4872 16.4960 16.6603 16.9353 k = 0.3571-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4817 -42.4817 -18.9332 -18.9332 -18.8853 -18.8853 -18.6607 -18.6607 10.3273 10.3273 10.8036 10.8036 11.8657 11.8657 11.9461 11.9461 12.8033 12.8033 13.3772 13.3772 14.2031 14.2031 15.6932 15.6932 15.8962 15.8962 16.5187 16.5187 16.6222 16.6222 k = 0.4286 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.4934 -42.4514 -19.0388 -18.9807 -18.8583 -18.8483 -18.6827 -18.6635 10.1692 11.3524 11.3982 11.5616 11.6089 11.8310 11.9823 12.1714 12.3602 12.7018 12.7099 12.9959 13.1769 13.5230 14.5801 14.7993 15.2341 15.3664 16.8167 17.4247 17.7281 19.2928 k = 0.4286 0.0000 0.0658 ( 1346 PWs) bands (ev): -42.4923 -42.4524 -19.0375 -18.9815 -18.8553 -18.8457 -18.6843 -18.6661 10.1937 11.3164 11.3851 11.5725 11.5999 11.8267 12.0643 12.1438 12.4186 12.5491 12.7993 12.9772 13.0910 13.6479 14.6207 14.7350 15.1923 15.5548 16.8168 17.2681 17.7027 19.3268 k = 0.4286 0.0000 0.1315 ( 1343 PWs) bands (ev): -42.4893 -42.4553 -19.0324 -18.9847 -18.8494 -18.8397 -18.6902 -18.6734 10.2685 11.2525 11.3525 11.5594 11.6081 11.8328 12.1128 12.1751 12.2791 12.5594 12.8420 12.9556 13.0831 13.8750 14.6553 14.7147 15.0872 15.9601 16.8222 16.8866 17.6209 19.3836 k = 0.4286 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.4846 -42.4599 -19.0246 -18.9899 -18.8405 -18.8321 -18.6974 -18.6839 10.3964 11.2007 11.3141 11.4284 11.6715 11.8243 12.0885 12.1083 12.2284 12.5408 12.7897 13.0017 13.4113 14.1110 14.6098 14.7162 15.0505 16.3787 16.4808 16.8576 17.4779 19.1126 k = 0.4286 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.4787 -42.4657 -19.0157 -18.9972 -18.8315 -18.8266 -18.7034 -18.6950 10.5810 11.0814 11.2655 11.2790 11.7629 11.8763 12.0131 12.1150 12.1917 12.2964 12.9608 13.0716 13.7877 14.3345 14.4950 14.5780 15.2198 15.9327 16.8469 17.0676 17.2735 18.2598 k = 0.4286 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4722 -42.4722 -19.0063 -19.0063 -18.8262 -18.8262 -18.7026 -18.7026 10.8204 10.8204 11.2540 11.2540 11.8710 11.8710 12.0432 12.0432 12.1783 12.1783 13.0675 13.0675 14.1576 14.1576 14.5107 14.5107 15.5179 15.5179 17.0451 17.0451 17.5982 17.5982 k = 0.4286 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.4928 -42.4519 -19.0381 -18.9814 -18.8552 -18.8439 -18.6851 -18.6674 10.1889 11.3487 11.3580 11.5257 11.5511 11.8231 12.0463 12.1900 12.3457 12.4784 12.9802 13.0218 13.0737 13.6495 14.6224 14.7257 15.3400 15.4282 16.8028 17.3523 17.6680 19.2509 k = 0.4286 0.0599 0.0658 ( 1351 PWs) bands (ev): -42.4918 -42.4529 -19.0364 -18.9824 -18.8567 -18.8388 -18.6894 -18.6673 10.2068 11.2490 11.4035 11.5486 11.5595 11.8302 12.0225 12.0980 12.4425 12.6098 12.8140 13.0220 13.0971 13.7301 14.6507 14.6783 15.3817 15.5199 16.8014 17.1788 17.6820 19.2824 k = 0.4286 0.0599 0.1315 ( 1343 PWs) bands (ev): -42.4888 -42.4558 -19.0315 -18.9853 -18.8563 -18.8298 -18.6980 -18.6690 10.2637 11.1590 11.3778 11.5601 11.5880 11.7677 11.9150 12.1626 12.5129 12.6445 12.8847 12.9913 13.0806 13.9215 14.5781 14.7797 15.2601 15.9132 16.7826 16.8306 17.6388 19.3332 k = 0.4286 0.0599 0.1973 ( 1340 PWs) bands (ev): -42.4843 -42.4602 -19.0240 -18.9904 -18.8514 -18.8238 -18.7046 -18.6750 10.3676 11.1135 11.2789 11.3986 11.6546 11.7117 11.9930 12.1752 12.3669 12.6730 12.8675 13.0648 13.4067 14.1452 14.5204 14.8670 15.1411 16.3348 16.4268 16.8354 17.5105 19.0613 k = 0.4286 0.0599 0.2631 ( 1337 PWs) bands (ev): -42.4785 -42.4659 -19.0152 -18.9974 -18.8424 -18.8246 -18.7041 -18.6849 10.5277 11.0173 11.1320 11.2543 11.7554 11.8181 11.9971 12.1195 12.2782 12.4739 13.0487 13.1474 13.8064 14.3664 14.4445 14.7353 15.2563 15.9196 16.8290 17.0130 17.3051 18.1973 k = 0.4286 0.0599-0.3288 ( 1342 PWs) bands (ev): -42.4722 -42.4722 -19.0058 -19.0058 -18.8324 -18.8324 -18.6964 -18.6964 10.7487 10.7487 11.1749 11.1749 11.8786 11.8786 11.9802 11.9802 12.3370 12.3370 13.1522 13.1522 14.1776 14.1776 14.5774 14.5774 15.5312 15.5312 17.0530 17.0530 17.5351 17.5351 k = 0.4286 0.1199 0.0000 ( 1356 PWs) bands (ev): -42.4912 -42.4535 -19.0350 -18.9840 -18.8482 -18.8339 -18.6923 -18.6785 10.2458 11.2622 11.3393 11.4097 11.4538 11.7978 12.1842 12.2282 12.2536 12.3731 12.8782 13.1323 13.2729 13.8770 14.6412 14.7372 15.2639 15.8404 16.7635 17.1587 17.4831 19.0486 k = 0.4286 0.1199 0.0658 ( 1350 PWs) bands (ev): -42.4903 -42.4544 -19.0333 -18.9848 -18.8549 -18.8258 -18.7005 -18.6715 10.2452 11.1494 11.3369 11.4195 11.5518 11.8389 11.9126 12.1158 12.5249 12.5896 12.7590 13.1237 13.3100 13.9159 14.5897 14.7816 15.4167 15.7887 16.7515 16.9751 17.5780 19.0658 k = 0.4286 0.1199 0.1315 ( 1345 PWs) bands (ev): -42.4876 -42.4570 -19.0288 -18.9874 -18.8613 -18.8185 -18.7087 -18.6650 10.2553 11.0216 11.3020 11.4235 11.5694 11.6562 11.9814 12.0943 12.5453 12.8028 12.9473 13.1367 13.2763 14.0478 14.5187 14.9032 15.6276 15.7867 16.5921 16.7935 17.6326 19.0959 k = 0.4286 0.1199 0.1973 ( 1344 PWs) bands (ev): -42.4833 -42.4612 -19.0221 -18.9920 -18.8623 -18.8210 -18.7070 -18.6647 10.3020 10.9549 11.1321 11.2547 11.5940 11.6688 12.0837 12.1680 12.3446 12.9779 13.0903 13.2705 13.4321 14.2500 14.4850 15.0526 15.4139 16.2216 16.2719 16.7892 17.5614 18.9197 k = 0.4286 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4780 -42.4664 -19.0139 -18.9982 -18.8569 -18.8325 -18.6959 -18.6705 10.4086 10.8361 10.9607 11.1235 11.7246 11.7554 12.0065 12.1062 12.4025 12.8157 13.2654 13.3483 13.8774 14.4358 14.5191 15.0071 15.3608 15.8872 16.7431 16.8915 17.3658 18.0266 k = 0.4286 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4722 -42.4722 -19.0056 -19.0056 -18.8462 -18.8462 -18.6821 -18.6821 10.5876 10.5876 11.0198 11.0198 11.8575 11.8575 11.9270 11.9270 12.6093 12.6093 13.3596 13.3596 14.2595 14.2595 14.7648 14.7648 15.5713 15.5713 17.0630 17.0630 17.3557 17.3557 k = 0.4286 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4891 -42.4556 -19.0304 -18.9876 -18.8379 -18.8187 -18.7020 -18.6935 10.3331 11.1421 11.2527 11.3294 11.3821 11.7565 12.1444 12.2302 12.3471 12.3657 12.7414 13.2356 13.5553 14.1202 14.5994 14.8977 15.1517 16.3318 16.7203 16.9119 17.1904 18.5958 k = 0.4286 0.1798 0.0658 ( 1352 PWs) bands (ev): -42.4882 -42.4564 -19.0290 -18.9887 -18.8480 -18.8134 -18.7113 -18.6806 10.3053 11.0454 11.2345 11.2492 11.5569 11.8458 11.8716 12.1115 12.4964 12.6641 12.6812 13.2393 13.6250 14.1430 14.5681 14.9387 15.2591 16.2737 16.6400 16.7904 17.3516 18.5616 k = 0.4286 0.1798 0.1315 ( 1349 PWs) bands (ev): -42.4858 -42.4588 -19.0251 -18.9905 -18.8605 -18.8157 -18.7111 -18.6668 10.2545 10.8950 11.1580 11.2109 11.5779 11.6995 12.0029 12.0788 12.4828 12.8444 12.9990 13.2819 13.7287 14.2325 14.5238 15.0624 15.5344 16.1101 16.3822 16.7522 17.5167 18.4720 k = 0.4286 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.4821 -42.4624 -19.0192 -18.9941 -18.8677 -18.8295 -18.6980 -18.6590 10.2365 10.7976 10.9464 11.1087 11.5671 11.6927 12.0059 12.2512 12.3796 13.0391 13.3120 13.4351 13.8129 14.4280 14.5385 15.2426 15.6918 16.0759 16.1302 16.7364 17.5374 18.3669 k = 0.4286 0.1798 0.2631 ( 1338 PWs) bands (ev): -42.4774 -42.4670 -19.0121 -18.9991 -18.8680 -18.8466 -18.6812 -18.6596 10.2885 10.6363 10.8242 10.9810 11.6800 11.7481 11.9497 12.0649 12.6216 13.0231 13.4818 13.5859 14.0796 14.5832 14.7337 15.3145 15.5105 15.8649 16.5336 16.7870 17.3622 17.8063 k = 0.4286 0.1798-0.3288 ( 1342 PWs) bands (ev): -42.4722 -42.4722 -19.0054 -19.0054 -18.8606 -18.8606 -18.6674 -18.6674 10.4248 10.4248 10.8736 10.8736 11.8224 11.8224 11.8832 11.8832 12.8571 12.8571 13.5720 13.5720 14.4470 14.4470 15.0435 15.0435 15.6445 15.6445 17.0060 17.0060 17.1165 17.1165 k = 0.4286 0.2398 0.0000 ( 1355 PWs) bands (ev): -42.4871 -42.4576 -19.0261 -18.9918 -18.8291 -18.8032 -18.7116 -18.7101 10.4324 11.0031 11.1552 11.3227 11.3304 11.7144 12.0865 12.2346 12.3323 12.4959 12.6654 13.3145 13.7805 14.3203 14.5897 15.0121 15.0739 16.5955 16.6925 16.8609 16.9613 18.0963 k = 0.4286 0.2398 0.0658 ( 1349 PWs) bands (ev): -42.4863 -42.4583 -19.0247 -18.9919 -18.8382 -18.8070 -18.7150 -18.6937 10.3741 10.9342 11.1395 11.1598 11.5528 11.8448 11.8632 12.0979 12.4302 12.6259 12.7866 13.3267 13.8933 14.3558 14.5940 15.0213 15.1372 16.4303 16.6515 16.8861 17.0684 18.0365 k = 0.4286 0.2398 0.1315 ( 1348 PWs) bands (ev): -42.4842 -42.4604 -19.0214 -18.9935 -18.8544 -18.8226 -18.7026 -18.6749 10.2645 10.7933 11.0331 11.1000 11.5817 11.7599 11.9170 12.1187 12.4978 12.7251 13.1433 13.3836 14.1447 14.4612 14.5737 15.1342 15.3074 16.1662 16.6011 16.7650 17.2737 17.8648 k = 0.4286 0.2398 0.1973 ( 1338 PWs) bands (ev): -42.4809 -42.4636 -19.0162 -18.9963 -18.8672 -18.8425 -18.6835 -18.6608 10.1940 10.6733 10.8356 11.0035 11.5559 11.7234 11.9363 12.1758 12.5959 12.9489 13.4655 13.5063 14.3281 14.6267 14.6734 15.3831 15.5197 15.9715 16.3956 16.7107 17.3675 17.6331 k = 0.4286 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.4767 -42.4676 -19.0104 -18.9998 -18.8731 -18.8599 -18.6668 -18.6544 10.2062 10.4986 10.7354 10.8775 11.6547 11.7462 11.9065 12.0129 12.8349 13.0667 13.5999 13.7095 14.4083 14.8233 15.0273 15.4742 15.6635 15.9161 16.3678 16.6877 17.1628 17.4258 k = 0.4286 0.2398-0.3288 ( 1338 PWs) bands (ev): -42.4722 -42.4722 -19.0050 -19.0050 -18.8707 -18.8707 -18.6568 -18.6568 10.3127 10.3127 10.7739 10.7739 11.7995 11.7995 11.8456 11.8456 13.0172 13.0172 13.6952 13.6952 14.6920 14.6920 15.3629 15.3629 15.7667 15.7667 16.7598 16.7598 16.9247 16.9247 k = 0.4286-0.2997 0.0000 ( 1354 PWs) bands (ev): -42.4863 -42.4584 -19.0242 -18.9933 -18.8252 -18.7956 -18.7179 -18.7155 10.4869 10.9288 11.1257 11.3116 11.3206 11.6966 12.0696 12.2343 12.3270 12.5415 12.6469 13.3440 13.8730 14.4004 14.5914 14.9689 15.1305 16.6005 16.6449 16.6850 17.3063 17.7445 k = 0.4286-0.2997 0.0658 ( 1348 PWs) bands (ev): -42.4856 -42.4591 -19.0229 -18.9933 -18.8328 -18.8067 -18.7095 -18.7051 10.4104 10.8760 11.1095 11.1310 11.5499 11.8427 11.8625 12.0914 12.4080 12.6073 12.8344 13.3591 14.0048 14.4483 14.6409 14.9222 15.1821 16.3584 16.6608 16.9052 17.2335 17.6873 k = 0.4286-0.2997 0.1315 ( 1348 PWs) bands (ev): -42.4835 -42.4610 -19.0196 -18.9949 -18.8490 -18.8291 -18.6914 -18.6851 10.2721 10.7500 10.9934 11.0613 11.5828 11.8175 11.8492 12.1201 12.5887 12.6084 13.1962 13.4200 14.3156 14.5762 14.8046 14.8277 15.3298 16.1008 16.6976 16.9891 17.1225 17.5219 k = 0.4286-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4804 -42.4640 -19.0150 -18.9972 -18.8639 -18.8508 -18.6726 -18.6671 10.1800 10.6253 10.8018 10.9647 11.5523 11.7406 11.9050 12.1471 12.7803 12.8036 13.5237 13.5252 14.5622 14.7162 14.9803 15.0373 15.5574 15.9190 16.6858 16.7182 17.1809 17.2739 k = 0.4286-0.2997 0.2631 ( 1324 PWs) bands (ev): -42.4765 -42.4679 -19.0096 -19.0002 -18.8730 -18.8662 -18.6586 -18.6553 10.1776 10.4503 10.7049 10.8399 11.6462 11.7467 11.8905 11.9912 12.9799 13.0060 13.6323 13.7425 14.5553 15.0610 15.2078 15.3182 15.8217 15.9095 16.4280 16.6603 16.9816 17.0685 k = 0.4286-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4722 -42.4722 -19.0049 -19.0049 -18.8742 -18.8742 -18.6530 -18.6530 10.2734 10.2734 10.7388 10.7388 11.7927 11.7927 11.8301 11.8301 13.0712 13.0712 13.7313 13.7313 14.8054 14.8054 15.5456 15.5456 15.8655 15.8655 16.6111 16.6111 16.7626 16.7626 k =-0.5000 0.0000 0.0000 ( 1354 PWs) bands (ev): -42.4898 -42.4480 -19.0656 -19.0049 -18.8552 -18.8444 -18.6802 -18.6607 10.6274 11.2617 11.3757 11.5249 11.6326 11.8080 12.0034 12.1225 12.3470 12.6609 12.6747 13.1760 13.2884 13.3891 14.5501 14.6109 15.1511 15.3070 16.8090 17.4352 17.9974 19.2250 k =-0.5000 0.0000 0.0658 ( 1334 PWs) bands (ev): -42.4888 -42.4490 -19.0638 -19.0063 -18.8520 -18.8416 -18.6814 -18.6627 10.6236 11.2479 11.3255 11.5391 11.6007 11.8428 12.0747 12.1071 12.4312 12.5150 12.7641 13.0901 13.2677 13.4969 14.5494 14.6098 15.1016 15.5077 16.8088 17.2825 17.9667 19.2405 k =-0.5000 0.0000 0.1315 ( 1334 PWs) bands (ev): -42.4858 -42.4519 -19.0586 -19.0098 -18.8458 -18.8358 -18.6873 -18.6702 10.6252 11.2168 11.2369 11.5323 11.5832 11.8809 12.0928 12.1791 12.2726 12.6595 12.7897 13.0799 13.2676 13.6828 14.4514 14.7528 14.9578 15.9694 16.8079 16.9070 17.8656 19.2457 k =-0.5000 0.0000 0.1973 ( 1340 PWs) bands (ev): -42.4811 -42.4565 -19.0508 -19.0156 -18.8373 -18.8289 -18.6944 -18.6810 10.6610 11.1705 11.1836 11.3901 11.6600 11.8602 12.0983 12.1728 12.1744 12.5393 12.9753 13.3764 13.3828 13.8517 14.3558 14.7323 14.9393 16.4240 16.5713 16.8421 17.6776 19.2244 k =-0.5000 0.0000 0.2631 ( 1336 PWs) bands (ev): -42.4753 -42.4623 -19.0411 -19.0229 -18.8283 -18.8231 -18.6997 -18.6921 10.7577 11.1395 11.1556 11.1559 11.7706 11.8939 12.0586 12.0970 12.1833 12.3078 13.2946 13.5124 13.7342 13.9928 14.2570 14.4474 15.1736 15.9366 16.9316 17.2760 17.4033 18.9476 k =-0.5000 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4688 -42.4688 -19.0317 -19.0317 -18.8231 -18.8231 -18.6993 -18.6993 10.9262 10.9262 11.1380 11.1380 11.9096 11.9096 12.0076 12.0076 12.2065 12.2065 13.5029 13.5029 14.0459 14.0459 14.1884 14.1884 15.5032 15.5032 17.1206 17.1206 18.0695 18.0695 k =-0.5000 0.0599 0.0000 ( 1354 PWs) bands (ev): -42.4893 -42.4486 -19.0646 -19.0063 -18.8522 -18.8406 -18.6823 -18.6648 10.6217 11.2333 11.3686 11.4905 11.5492 11.7978 12.0883 12.1612 12.3430 12.4381 12.9376 13.0559 13.3473 13.4945 14.5421 14.5962 15.2817 15.3557 16.7968 17.3640 17.9117 19.2133 k =-0.5000 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.4883 -42.4495 -19.0629 -19.0073 -18.8535 -18.8354 -18.6866 -18.6646 10.6078 11.1747 11.3636 11.5182 11.5499 11.8343 12.0055 12.0952 12.4751 12.5929 12.7798 13.0913 13.3310 13.5549 14.4847 14.6540 15.3027 15.4704 16.7946 17.2001 17.9264 19.2145 k =-0.5000 0.0599 0.1315 ( 1346 PWs) bands (ev): -42.4853 -42.4524 -19.0576 -19.0106 -18.8527 -18.8267 -18.6953 -18.6661 10.5860 11.0931 11.3149 11.5427 11.5680 11.7577 11.9258 12.1481 12.5353 12.7556 12.8379 13.0600 13.3443 13.7102 14.3891 14.7977 15.1489 15.9171 16.7688 16.8574 17.8840 19.2003 k =-0.5000 0.0599 0.1973 ( 1344 PWs) bands (ev): -42.4808 -42.4569 -19.0499 -19.0162 -18.8478 -18.8208 -18.7017 -18.6719 10.5964 11.0482 11.2349 11.3510 11.6446 11.6981 12.0335 12.1409 12.3907 12.6698 13.0957 13.3776 13.4716 13.8653 14.2963 14.9071 14.9815 16.3780 16.5071 16.8294 17.7216 19.1604 k =-0.5000 0.0599 0.2631 ( 1334 PWs) bands (ev): -42.4751 -42.4625 -19.0407 -19.0231 -18.8388 -18.8211 -18.7010 -18.6816 10.6721 11.0483 11.0645 11.1532 11.7553 11.8005 12.0364 12.0810 12.2979 12.4908 13.4281 13.6304 13.7583 14.0026 14.2055 14.5980 15.2053 15.9251 16.9202 17.2004 17.4377 18.8292 k =-0.5000 0.0599-0.3288 ( 1348 PWs) bands (ev): -42.4688 -42.4688 -19.0316 -19.0316 -18.8292 -18.8292 -18.6934 -18.6934 10.8288 10.8288 11.0868 11.0868 11.8928 11.8928 11.9533 11.9533 12.3627 12.3627 13.6371 13.6371 14.0309 14.0309 14.2716 14.2716 15.5156 15.5156 17.1269 17.1269 17.9775 17.9775 k =-0.5000 0.1199 0.0000 ( 1346 PWs) bands (ev): -42.4877 -42.4501 -19.0615 -19.0088 -18.8445 -18.8301 -18.6891 -18.6755 10.6088 11.1726 11.3504 11.3730 11.4177 11.7678 12.2203 12.2642 12.2953 12.3327 12.8808 13.2262 13.4977 13.6556 14.4392 14.7213 15.2081 15.8222 16.7645 17.1720 17.6639 19.1858 k =-0.5000 0.1199 0.0658 ( 1354 PWs) bands (ev): -42.4868 -42.4510 -19.0600 -19.0100 -18.8513 -18.8227 -18.6977 -18.6690 10.5697 11.0881 11.3107 11.3860 11.5289 11.8214 11.9200 12.1153 12.5753 12.6244 12.7517 13.2869 13.4949 13.6747 14.3949 14.7789 15.3621 15.7616 16.7497 17.0036 17.7663 19.1537 k =-0.5000 0.1199 0.1315 ( 1350 PWs) bands (ev): -42.4841 -42.4537 -19.0552 -19.0127 -18.8578 -18.8154 -18.7058 -18.6624 10.4959 10.9727 11.2684 11.3952 11.5847 11.5986 12.0002 12.0748 12.5265 12.9616 12.9985 13.2477 13.5438 13.7744 14.3115 14.9221 15.5689 15.7726 16.6019 16.8112 17.8693 19.0650 k =-0.5000 0.1199 0.1973 ( 1338 PWs) bands (ev): -42.4799 -42.4578 -19.0478 -19.0170 -18.8585 -18.8178 -18.7038 -18.6616 10.4567 10.9105 11.1466 11.1780 11.5762 11.6426 12.0663 12.1895 12.3281 13.0384 13.4033 13.4389 13.7189 13.9026 14.2290 15.0990 15.2868 16.2592 16.3231 16.7990 17.8162 18.9410 k =-0.5000 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.4746 -42.4630 -19.0395 -19.0236 -18.8533 -18.8291 -18.6929 -18.6673 10.4938 10.8491 10.9110 11.0640 11.7090 11.7319 11.9824 12.0914 12.4281 12.8490 13.7774 13.8346 13.9367 14.0418 14.1799 14.9123 15.2942 15.8914 16.8849 16.9822 17.5256 18.4962 k =-0.5000 0.1199-0.3288 ( 1348 PWs) bands (ev): -42.4688 -42.4688 -19.0312 -19.0312 -18.8429 -18.8429 -18.6795 -18.6795 10.6248 10.6248 10.9669 10.9669 11.8553 11.8553 11.8879 11.8879 12.6410 12.6410 13.9900 13.9900 14.0167 14.0167 14.4872 14.4872 15.5505 15.5505 17.1352 17.1352 17.7150 17.7150 k =-0.5000 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4856 -42.4522 -19.0568 -19.0129 -18.8350 -18.8150 -18.6992 -18.6902 10.5980 11.1140 11.1889 11.3286 11.3445 11.7243 12.1520 12.2543 12.3205 12.5518 12.7431 13.5046 13.6768 13.8195 14.3410 14.8961 15.0978 16.4244 16.7197 16.9208 17.3071 19.1606 k =-0.5000 0.1798 0.0658 ( 1348 PWs) bands (ev): -42.4847 -42.4530 -19.0555 -19.0135 -18.8444 -18.8098 -18.7085 -18.6775 10.5293 11.0327 11.1859 11.2038 11.5514 11.8186 11.8880 12.1128 12.4962 12.6834 12.8542 13.5984 13.6949 13.8124 14.3255 14.9515 15.1942 16.3541 16.6414 16.8173 17.4643 19.0914 k =-0.5000 0.1798 0.1315 ( 1350 PWs) bands (ev): -42.4823 -42.4554 -19.0512 -19.0158 -18.8570 -18.8125 -18.7080 -18.6640 10.4026 10.8889 11.1283 11.1525 11.5937 11.6645 11.9858 12.0843 12.4606 12.8670 13.3080 13.7122 13.7951 13.8472 14.2726 15.0929 15.4897 16.1555 16.3863 16.7742 17.6860 18.8796 k =-0.5000 0.1798 0.1973 ( 1334 PWs) bands (ev): -42.4786 -42.4590 -19.0448 -19.0191 -18.8639 -18.8258 -18.6950 -18.6562 10.3184 10.8016 10.9034 11.0633 11.5503 11.6665 11.9793 12.2251 12.4044 13.0927 13.7854 13.7962 13.9943 14.0338 14.1946 15.2686 15.6995 16.1013 16.1102 16.7597 17.8411 18.4872 k =-0.5000 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.4739 -42.4636 -19.0377 -19.0242 -18.8641 -18.8429 -18.6784 -18.6567 10.3221 10.6330 10.7869 10.9425 11.6595 11.7173 11.9201 12.0344 12.6550 13.0748 13.9160 14.0923 14.2363 14.3309 14.3330 15.3069 15.4324 15.8455 16.6612 16.8179 17.6336 18.0170 k =-0.5000 0.1798-0.3288 ( 1328 PWs) bands (ev): -42.4688 -42.4688 -19.0305 -19.0305 -18.8567 -18.8567 -18.6639 -18.6639 10.4286 10.4286 10.8394 10.8394 11.8161 11.8161 11.8321 11.8321 12.8964 12.8964 14.0111 14.0111 14.4585 14.4585 14.8100 14.8100 15.6070 15.6070 17.1078 17.1078 17.3274 17.3274 k =-0.5000 0.2398 0.0000 ( 1356 PWs) bands (ev): -42.4836 -42.4542 -19.0525 -19.0170 -18.8257 -18.7997 -18.7089 -18.7070 10.5967 11.0489 11.0742 11.2936 11.3113 11.6854 12.0938 12.2654 12.3110 12.6626 12.7775 13.7262 13.8155 13.9743 14.2363 14.9839 15.0645 16.6903 16.6953 16.9623 17.0897 18.8084 k =-0.5000 0.2398 0.0658 ( 1358 PWs) bands (ev): -42.4829 -42.4549 -19.0512 -19.0178 -18.8352 -18.8038 -18.7121 -18.6907 10.5028 11.0166 11.0357 11.1084 11.5597 11.8231 11.8664 12.1038 12.4387 12.6336 13.0741 13.8188 13.8568 13.9916 14.2763 15.0003 15.1161 16.4708 16.7453 17.0069 17.1241 18.7257 k =-0.5000 0.2398 0.1315 ( 1352 PWs) bands (ev): -42.4808 -42.4570 -19.0474 -19.0192 -18.8508 -18.8192 -18.6997 -18.6720 10.3376 10.8471 10.9549 11.0545 11.5996 11.7293 11.8992 12.1077 12.4971 12.7452 13.5823 13.9006 14.0136 14.0829 14.3573 15.1524 15.2558 16.2089 16.7546 16.7659 17.3427 18.4689 k =-0.5000 0.2398 0.1973 ( 1342 PWs) bands (ev): -42.4775 -42.4602 -19.0420 -19.0218 -18.8633 -18.8391 -18.6808 -18.6581 10.2234 10.7371 10.7392 10.9667 11.5403 11.6972 11.9036 12.1473 12.6238 12.9845 13.9192 14.1380 14.1681 14.3244 14.4204 15.4475 15.5287 15.9765 16.4190 16.7421 17.5080 18.0435 k =-0.5000 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.4733 -42.4642 -19.0359 -19.0252 -18.8691 -18.8562 -18.6643 -18.6515 10.2056 10.4859 10.7059 10.8475 11.6317 11.7117 11.8703 11.9821 12.8700 13.1201 13.9478 14.1037 14.6370 14.7061 14.7169 15.6179 15.6339 15.8041 16.3833 16.7337 17.4632 17.5016 k =-0.5000 0.2398-0.3288 ( 1320 PWs) bands (ev): -42.4687 -42.4687 -19.0300 -19.0300 -18.8665 -18.8665 -18.6535 -18.6535 10.2959 10.2959 10.7485 10.7485 11.7874 11.7874 11.7932 11.7932 13.0635 13.0635 14.0098 14.0098 14.8972 14.8972 15.1761 15.1761 15.6998 15.6998 16.9116 16.9116 16.9671 16.9671 k =-0.5000-0.2997 0.0000 ( 1364 PWs) bands (ev): -42.4828 -42.4550 -19.0509 -19.0190 -18.8218 -18.7922 -18.7149 -18.7132 10.5992 10.9949 11.0602 11.2756 11.3049 11.6699 12.0762 12.2670 12.3075 12.6369 12.8718 13.8166 13.8654 14.0967 14.1322 14.9304 15.1396 16.5994 16.7407 16.7588 17.5631 18.3111 k =-0.5000-0.2997 0.0658 ( 1364 PWs) bands (ev): -42.4821 -42.4557 -19.0490 -19.0197 -18.8300 -18.8039 -18.7065 -18.7024 10.4947 10.9802 11.0342 11.0520 11.5610 11.8303 11.8523 12.0997 12.4211 12.6148 13.1685 13.8790 13.9181 14.1078 14.2639 14.8926 15.1888 16.3908 16.7496 16.9496 17.4640 18.2403 k =-0.5000-0.2997 0.1315 ( 1352 PWs) bands (ev): -42.4801 -42.4576 -19.0456 -19.0205 -18.8453 -18.8256 -18.6887 -18.6824 10.3148 10.8369 10.8950 11.0157 11.6017 11.7746 11.8447 12.1011 12.6105 12.6159 13.6960 13.9231 14.1040 14.1401 14.6844 14.8057 15.3268 16.1383 16.7717 17.1388 17.1776 18.0246 k =-0.5000-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.4770 -42.4606 -19.0407 -19.0227 -18.8598 -18.8468 -18.6694 -18.6638 10.1902 10.6824 10.7168 10.9297 11.5373 11.7148 11.8692 12.1190 12.8124 12.8318 13.9369 14.1656 14.2726 14.4572 14.7683 15.2314 15.5406 15.9170 16.7494 16.7782 17.2171 17.6703 k =-0.5000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4731 -42.4645 -19.0352 -19.0258 -18.8692 -18.8625 -18.6559 -18.6526 10.1649 10.4346 10.6784 10.8123 11.6224 11.7111 11.8507 11.9623 13.0056 13.0663 13.9557 14.1066 14.7881 14.9020 14.9615 15.6382 15.7530 15.7795 16.3977 16.7219 17.1154 17.2067 k =-0.5000-0.2997-0.3288 ( 1320 PWs) bands (ev): -42.4687 -42.4687 -19.0297 -19.0297 -18.8700 -18.8700 -18.6500 -18.6500 10.2494 10.2494 10.7160 10.7160 11.7769 11.7769 11.7791 11.7791 13.1205 13.1205 14.0096 14.0096 15.0810 15.0810 15.3752 15.3752 15.7897 15.7897 16.6942 16.6942 16.8214 16.8214 the Fermi energy is 14.4529 ev ! total energy = -405.20112212 Ry Harris-Foulkes estimate = -405.20112212 Ry estimated scf accuracy < 3.7E-11 Ry The total energy is the sum of the following terms: one-electron contribution = -84.14270499 Ry hartree contribution = 78.45508852 Ry xc contribution = -89.27105179 Ry ewald contribution = -310.24014227 Ry smearing contrib. (-TS) = -0.00231159 Ry convergence has been achieved in 12 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 0.00165305 0.00000000 atom 2 type 2 force = 0.00000000 -0.00083252 0.00000000 atom 3 type 1 force = 0.00000000 -0.00165305 0.00000000 atom 4 type 2 force = 0.00000000 0.00083252 0.00000000 Total force = 0.002618 Total SCF correction = 0.000034 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -20.03 -0.00009314 0.00000000 0.00000000 -13.70 0.00 0.00 0.00000000 -0.00021005 0.00000000 0.00 -30.90 0.00 0.00000000 0.00000000 -0.00010531 0.00 0.00 -15.49 number of scf cycles = 3 number of bfgs steps = 1 energy old = -405.2011461628 Ry energy new = -405.2011221231 Ry CASE: energy _new > energy _old new trust radius = 0.0138906068 bohr new conv_thr = 1.0E-10 Ry ATOMIC_POSITIONS (crystal) Ti 0.000000000 0.030231139 0.000000000 Ni 0.500000000 -0.065182869 0.500000000 Ti 0.000000000 0.469768861 0.500000000 Ni 0.500000000 0.565182869 0.000000000 Writing output data file pwscf.save NEW-OLD atomic charge density approx. for the potential Check: negative/imaginary core charge= -0.000006 0.000000 total cpu time spent up to now is 4145.26 secs per-process dynamical memory: 33.3 Mb Self-consistent Calculation iteration # 1 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-06, avg # of iterations = 4.0 total cpu time spent up to now is 4247.97 secs total energy = -405.20111624 Ry Harris-Foulkes estimate = -405.20116702 Ry estimated scf accuracy < 0.00011094 Ry iteration # 2 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.52E-07, avg # of iterations = 2.9 total cpu time spent up to now is 4312.56 secs total energy = -405.20110952 Ry Harris-Foulkes estimate = -405.20117582 Ry estimated scf accuracy < 0.00038528 Ry iteration # 3 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.52E-07, avg # of iterations = 2.2 total cpu time spent up to now is 4367.81 secs total energy = -405.20114483 Ry Harris-Foulkes estimate = -405.20114677 Ry estimated scf accuracy < 0.00001264 Ry iteration # 4 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.87E-08, avg # of iterations = 2.5 total cpu time spent up to now is 4422.84 secs total energy = -405.20114598 Ry Harris-Foulkes estimate = -405.20114620 Ry estimated scf accuracy < 0.00000108 Ry iteration # 5 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.46E-09, avg # of iterations = 2.3 total cpu time spent up to now is 4481.82 secs total energy = -405.20114611 Ry Harris-Foulkes estimate = -405.20114612 Ry estimated scf accuracy < 0.00000021 Ry iteration # 6 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.82E-10, avg # of iterations = 2.0 total cpu time spent up to now is 4535.68 secs total energy = -405.20114612 Ry Harris-Foulkes estimate = -405.20114613 Ry estimated scf accuracy < 0.00000002 Ry iteration # 7 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.92E-11, avg # of iterations = 3.1 total cpu time spent up to now is 4605.63 secs total energy = -405.20114613 Ry Harris-Foulkes estimate = -405.20114613 Ry estimated scf accuracy < 8.4E-09 Ry iteration # 8 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.90E-11, avg # of iterations = 1.0 total cpu time spent up to now is 4655.14 secs total energy = -405.20114613 Ry Harris-Foulkes estimate = -405.20114613 Ry estimated scf accuracy < 2.5E-09 Ry iteration # 9 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.66E-12, avg # of iterations = 3.0 total cpu time spent up to now is 4717.77 secs total energy = -405.20114613 Ry Harris-Foulkes estimate = -405.20114613 Ry estimated scf accuracy < 7.6E-10 Ry iteration # 10 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.73E-12, avg # of iterations = 2.9 total cpu time spent up to now is 4775.97 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -42.5604 -42.5149 -18.9194 -18.9124 -18.7309 -18.7159 -18.5144 -18.4810 6.8439 10.1845 10.7683 10.7886 10.8025 12.1913 12.3669 12.4115 12.7366 12.8529 13.0044 13.1852 13.9653 14.4923 14.7361 14.8054 15.2884 16.8634 17.0401 17.0632 17.2082 17.2413 k = 0.0000 0.0000 0.0658 ( 1323 PWs) bands (ev): -42.5592 -42.5159 -18.9184 -18.9099 -18.7355 -18.7185 -18.5137 -18.4817 6.9423 10.1672 10.7032 10.8360 10.9532 12.2267 12.3131 12.4010 12.7747 12.8408 12.8667 13.1454 14.1203 14.4261 14.4694 14.9199 15.2300 16.8714 16.9760 17.0827 17.1470 17.2526 k = 0.0000 0.0000 0.1315 ( 1331 PWs) bands (ev): -42.5558 -42.5190 -18.9147 -18.9034 -18.7451 -18.7264 -18.5117 -18.4845 7.2317 10.1170 10.6829 10.9267 11.2167 12.1200 12.3236 12.3901 12.6820 12.8091 12.8574 13.0072 13.9287 14.2491 14.5495 15.0028 15.1096 16.7665 16.8334 16.8901 17.0490 17.2474 k = 0.0000 0.0000 0.1973 ( 1329 PWs) bands (ev): -42.5506 -42.5239 -18.9080 -18.8950 -18.7560 -18.7379 -18.5083 -18.4885 7.6936 9.9661 10.6955 11.0372 11.4849 11.8365 12.4017 12.4473 12.5866 12.7364 12.7784 12.9311 13.6296 14.1347 14.7981 14.9541 15.1077 16.2596 16.6739 16.7788 16.9517 17.2074 k = 0.0000 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5441 -42.5301 -18.8995 -18.8905 -18.7628 -18.7505 -18.5040 -18.4935 8.2918 9.5715 10.7827 11.0715 11.6217 11.6334 12.4386 12.5143 12.5304 12.5331 12.8071 12.9509 13.6447 13.9776 14.9235 14.9787 15.1604 15.6849 16.5476 16.5873 17.0038 17.1439 k = 0.0000 0.0000-0.3288 ( 1328 PWs) bands (ev): -42.5370 -42.5370 -18.8921 -18.8921 -18.7604 -18.7604 -18.4989 -18.4989 8.9590 8.9590 10.9433 10.9433 11.6138 11.6138 12.4884 12.4884 12.5008 12.5008 12.8972 12.8972 13.8068 13.8068 15.0226 15.0226 15.2611 15.2611 16.5079 16.5079 17.0714 17.0714 k = 0.0000 0.0599 0.0000 ( 1321 PWs) bands (ev): -42.5597 -42.5155 -18.9170 -18.9092 -18.7336 -18.7205 -18.5139 -18.4818 6.9236 10.1805 10.7591 10.8243 10.8329 12.1995 12.3315 12.4352 12.7287 12.8631 12.9399 13.1071 13.9020 14.4777 14.7338 14.8010 15.2078 16.8307 17.0170 17.0322 17.1869 17.2592 k = 0.0000 0.0599 0.0658 ( 1330 PWs) bands (ev): -42.5586 -42.5165 -18.9207 -18.9027 -18.7414 -18.7192 -18.5135 -18.4825 7.0213 10.1699 10.7241 10.8552 10.9637 12.2344 12.2770 12.4227 12.7678 12.7916 12.8526 13.1389 13.9075 14.4523 14.5031 14.9151 15.1986 16.8262 16.9279 16.9659 17.1872 17.2724 k = 0.0000 0.0599 0.1315 ( 1327 PWs) bands (ev): -42.5553 -42.5195 -18.9225 -18.8931 -18.7536 -18.7206 -18.5112 -18.4850 7.3088 10.1356 10.7077 10.9440 11.2105 12.0905 12.3299 12.4095 12.6180 12.8143 12.8615 13.0595 13.6925 14.2832 14.4897 14.9653 15.2001 16.6561 16.7416 16.9134 17.0322 17.2522 k = 0.0000 0.0599 0.1973 ( 1327 PWs) bands (ev): -42.5502 -42.5242 -18.9193 -18.8872 -18.7627 -18.7284 -18.5079 -18.4889 7.7675 10.0051 10.7137 11.0499 11.4672 11.8303 12.4176 12.4537 12.5062 12.7893 12.8160 12.9338 13.4855 14.1257 14.6076 14.9299 15.2522 16.2115 16.5853 16.7813 16.9540 17.2167 k = 0.0000 0.0599 0.2631 ( 1326 PWs) bands (ev): -42.5439 -42.5303 -18.9110 -18.8897 -18.7624 -18.7401 -18.5037 -18.4937 8.3614 9.6268 10.7919 11.0750 11.5872 11.6676 12.4450 12.4531 12.5219 12.6035 12.8172 12.9551 13.5552 13.9526 14.6988 14.9141 15.2973 15.7105 16.4714 16.5741 17.0108 17.1554 k = 0.0000 0.0599-0.3288 ( 1320 PWs) bands (ev): -42.5370 -42.5370 -18.8994 -18.8994 -18.7530 -18.7530 -18.4987 -18.4987 9.0229 9.0229 10.9459 10.9459 11.6195 11.6195 12.4898 12.4898 12.5000 12.5000 12.9038 12.9038 13.7570 13.7570 14.8266 14.8266 15.3900 15.3900 16.4616 16.4616 17.0820 17.0820 k = 0.0000 0.1199 0.0000 ( 1335 PWs) bands (ev): -42.5579 -42.5172 -18.9101 -18.8997 -18.7419 -18.7329 -18.5133 -18.4835 7.1578 10.0995 10.7838 10.8959 10.9282 12.2135 12.2224 12.5005 12.7066 12.7591 12.8888 12.9374 13.7996 14.4444 14.7008 14.7894 15.0556 16.5803 16.7453 17.0131 17.0457 17.3549 k = 0.0000 0.1199 0.0658 ( 1325 PWs) bands (ev): -42.5568 -42.5182 -18.9196 -18.8895 -18.7541 -18.7228 -18.5124 -18.4839 7.2536 10.1147 10.7839 10.9141 11.0121 12.1651 12.2561 12.4809 12.6342 12.7523 12.8808 13.0277 13.6732 14.4132 14.5252 14.8595 15.1374 16.5355 16.7283 16.8865 17.1212 17.3053 k = 0.0000 0.1199 0.1315 ( 1324 PWs) bands (ev): -42.5538 -42.5209 -18.9294 -18.8813 -18.7647 -18.7162 -18.5104 -18.4863 7.5352 10.1416 10.7796 10.9892 11.2015 12.0150 12.3477 12.4597 12.4849 12.8222 12.8797 13.0947 13.3398 14.2720 14.3910 14.8341 15.3136 16.3730 16.6062 16.7992 17.0714 17.2496 k = 0.0000 0.1199 0.1973 ( 1321 PWs) bands (ev): -42.5491 -42.5252 -18.9321 -18.8859 -18.7640 -18.7166 -18.5073 -18.4898 7.9841 10.0917 10.7637 11.0750 11.4184 11.8239 12.3721 12.4540 12.4756 12.8179 12.9187 12.9431 13.1793 14.0755 14.3931 14.7520 15.4265 16.0683 16.4358 16.6755 17.0035 17.2232 k = 0.0000 0.1199 0.2631 ( 1313 PWs) bands (ev): -42.5433 -42.5308 -18.9277 -18.8999 -18.7520 -18.7239 -18.5031 -18.4937 8.5640 9.7783 10.8100 11.0722 11.5544 11.7070 12.3441 12.4904 12.5409 12.6362 12.8453 12.9684 13.3461 13.8685 14.4367 14.6578 15.4449 15.7098 16.3326 16.4834 17.0372 17.1719 k = 0.0000 0.1199-0.3288 ( 1316 PWs) bands (ev): -42.5370 -42.5370 -18.9160 -18.9160 -18.7369 -18.7369 -18.4987 -18.4987 9.2060 9.2060 10.9450 10.9450 11.6371 11.6371 12.4490 12.4490 12.5297 12.5297 12.9233 12.9233 13.6175 13.6175 14.5313 14.5313 15.4922 15.4922 16.3479 16.3479 17.1028 17.1028 k = 0.0000 0.1798 0.0000 ( 1325 PWs) bands (ev): -42.5554 -42.5196 -18.8997 -18.8847 -18.7521 -18.7506 -18.5116 -18.4850 7.5307 9.8130 10.8847 10.9729 11.0888 12.0464 12.2544 12.5028 12.5898 12.6759 12.8111 12.9169 13.7337 14.4099 14.6338 14.7739 14.9362 16.0892 16.6347 16.8813 16.9932 17.3690 k = 0.0000 0.1798 0.0658 ( 1321 PWs) bands (ev): -42.5545 -42.5204 -18.9134 -18.8769 -18.7659 -18.7328 -18.5106 -18.4857 7.6232 9.8621 10.8916 10.9974 11.1264 12.0200 12.2861 12.4217 12.5504 12.7423 12.8563 12.9107 13.6086 14.3673 14.4864 14.7511 15.0904 16.0854 16.6182 16.7407 17.0864 17.3194 k = 0.0000 0.1798 0.1315 ( 1321 PWs) bands (ev): -42.5518 -42.5228 -18.9297 -18.8796 -18.7668 -18.7183 -18.5090 -18.4877 7.8945 9.9877 10.8890 11.0555 11.2371 11.9389 12.2860 12.3725 12.5180 12.8339 12.8843 12.9065 13.3394 14.2111 14.3032 14.6431 15.3523 16.0240 16.4726 16.6390 17.1165 17.2359 k = 0.0000 0.1798 0.1973 ( 1325 PWs) bands (ev): -42.5477 -42.5266 -18.9403 -18.8969 -18.7533 -18.7111 -18.5064 -18.4909 8.3256 10.1039 10.8273 11.0987 11.3969 11.8265 12.1935 12.4814 12.5189 12.7956 12.8554 12.9591 13.1293 13.9702 14.2359 14.5040 15.5022 15.8559 16.2861 16.5284 17.0593 17.2154 k = 0.0000 0.1798 0.2631 ( 1314 PWs) bands (ev): -42.5425 -42.5315 -18.9415 -18.9171 -18.7352 -18.7119 -18.5027 -18.4945 8.8782 9.9700 10.7958 11.0532 11.5523 11.7404 12.2169 12.5344 12.5632 12.5740 12.8845 12.9894 13.1881 13.7209 14.2267 14.3701 15.4960 15.6292 16.1857 16.3542 17.0677 17.1780 k = 0.0000 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5369 -42.5369 -18.9336 -18.9336 -18.7207 -18.7207 -18.4986 -18.4986 9.4789 9.4789 10.9174 10.9174 11.6661 11.6661 12.3608 12.3608 12.5641 12.5641 12.9524 12.9524 13.4351 13.4351 14.2692 14.2692 15.4931 15.4931 16.2135 16.2135 17.1201 17.1201 k = 0.0000 0.2398 0.0000 ( 1318 PWs) bands (ev): -42.5531 -42.5218 -18.8904 -18.8689 -18.7689 -18.7610 -18.5099 -18.4868 8.0029 9.3394 11.0019 11.0434 11.2724 11.9296 12.2426 12.2840 12.6471 12.6726 12.7535 12.9333 13.7061 14.3892 14.5659 14.7601 14.8713 15.6951 16.5369 16.7564 16.9771 17.3796 k = 0.0000 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5523 -42.5226 -18.9035 -18.8716 -18.7707 -18.7462 -18.5094 -18.4875 8.0901 9.4101 11.0146 11.0637 11.2896 11.9240 12.1742 12.3139 12.5903 12.7581 12.7702 12.9280 13.6142 14.3353 14.4330 14.6485 15.0635 15.7288 16.5287 16.6147 17.0662 17.3290 k = 0.0000 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5499 -42.5246 -18.9242 -18.8887 -18.7575 -18.7269 -18.5082 -18.4893 8.3452 9.6085 10.9982 11.1294 11.3521 11.8977 12.0369 12.3954 12.5565 12.7577 12.8608 12.9210 13.4259 14.1338 14.2530 14.4505 15.3586 15.7391 16.3711 16.5108 17.1438 17.2211 k = 0.0000 0.2398 0.1973 ( 1325 PWs) bands (ev): -42.5463 -42.5279 -18.9409 -18.9124 -18.7373 -18.7130 -18.5056 -18.4919 8.7468 9.8828 10.8827 11.1751 11.4625 11.8003 11.9967 12.5003 12.5539 12.6467 12.8929 12.9732 13.2558 13.8171 14.1445 14.2844 15.5219 15.6580 16.1737 16.4108 17.1008 17.1990 k = 0.0000 0.2398 0.2631 ( 1329 PWs) bands (ev): -42.5418 -42.5321 -18.9490 -18.9331 -18.7202 -18.7073 -18.5022 -18.4953 9.2517 10.0580 10.7228 11.0687 11.5935 11.7447 12.0727 12.4514 12.5678 12.5797 12.9213 13.0101 13.1899 13.5267 14.0921 14.1600 15.4831 15.5305 16.0735 16.2466 17.0898 17.1756 k = 0.0000 0.2398-0.3288 ( 1328 PWs) bands (ev): -42.5369 -42.5369 -18.9462 -18.9462 -18.7094 -18.7094 -18.4989 -18.4989 9.7709 9.7709 10.8436 10.8436 11.6997 11.6997 12.2375 12.2375 12.5898 12.5898 12.9808 12.9808 13.2939 13.2939 14.0958 14.0958 15.4474 15.4474 16.1059 16.1059 17.1293 17.1293 k = 0.0000-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5522 -42.5228 -18.8866 -18.8611 -18.7788 -18.7649 -18.5094 -18.4877 8.3572 8.9711 11.0447 11.0808 11.3734 11.8931 12.1126 12.2968 12.6348 12.7083 12.7375 12.9366 13.7016 14.3837 14.5359 14.7540 14.8513 15.5394 16.4974 16.7090 16.9712 17.3840 k = 0.0000-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5514 -42.5234 -18.8976 -18.8724 -18.7678 -18.7558 -18.5089 -18.4885 8.4382 9.0526 11.0763 11.0822 11.3869 11.8953 12.0438 12.3257 12.5968 12.7477 12.7761 12.9311 13.6246 14.3250 14.4085 14.6026 15.0550 15.5927 16.4926 16.5670 17.0593 17.3329 k = 0.0000-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5492 -42.5254 -18.9189 -18.8965 -18.7462 -18.7374 -18.5078 -18.4901 8.6740 9.2863 11.0460 11.1586 11.4494 11.8760 11.9057 12.4050 12.5675 12.7256 12.8833 12.9182 13.4714 14.0925 14.2470 14.3554 15.3610 15.6282 16.3329 16.4622 17.1534 17.2146 k = 0.0000-0.2997 0.1973 ( 1324 PWs) bands (ev): -42.5457 -42.5284 -18.9381 -18.9213 -18.7254 -18.7199 -18.5047 -18.4923 9.0410 9.6344 10.9084 11.2283 11.5757 11.6894 11.9340 12.5078 12.5656 12.6032 12.9114 12.9770 13.3423 13.7099 14.1201 14.1949 15.5413 15.5627 16.1321 16.3662 17.1185 17.1894 k = 0.0000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5415 -42.5324 -18.9498 -18.9407 -18.7111 -18.7086 -18.5021 -18.4952 9.4912 9.9822 10.7010 11.0934 11.6510 11.7021 12.0056 12.3967 12.5822 12.5833 12.9370 13.0188 13.2558 13.3908 14.0482 14.0852 15.4579 15.5009 16.0316 16.2053 17.0988 17.1742 k = 0.0000-0.2997-0.3288 ( 1324 PWs) bands (ev): -42.5369 -42.5369 -18.9504 -18.9504 -18.7052 -18.7052 -18.4988 -18.4988 9.9188 9.9188 10.7840 10.7840 11.7171 11.7171 12.1723 12.1723 12.5990 12.5990 12.9930 12.9930 13.2454 13.2454 14.0354 14.0354 15.4243 15.4243 16.0654 16.0654 17.1331 17.1331 k = 0.0714 0.0000 0.0000 ( 1328 PWs) bands (ev): -42.5569 -42.5116 -18.9163 -18.9092 -18.7283 -18.7132 -18.5430 -18.5085 6.9591 10.2753 10.8200 10.8318 10.8584 12.1666 12.3549 12.3715 12.7128 12.8154 12.9961 13.2206 13.8786 14.5574 14.7016 14.8270 15.0735 16.8610 16.9747 17.0802 17.2902 17.3817 k = 0.0714 0.0000 0.0658 ( 1339 PWs) bands (ev): -42.5557 -42.5126 -18.9155 -18.9070 -18.7327 -18.7162 -18.5419 -18.5095 7.0563 10.2570 10.7593 10.8926 10.9920 12.1954 12.3038 12.3558 12.7418 12.8036 12.8705 13.1733 14.0364 14.3794 14.5366 14.9405 15.0946 16.7559 17.0267 17.0417 17.1127 17.3313 k = 0.0714 0.0000 0.1315 ( 1336 PWs) bands (ev): -42.5524 -42.5157 -18.9113 -18.9001 -18.7420 -18.7238 -18.5397 -18.5121 7.3425 10.2065 10.7457 10.9852 11.2495 12.1026 12.2703 12.3568 12.6642 12.7742 12.8438 12.9960 13.9354 14.2368 14.5564 15.0246 15.0764 16.5382 16.8676 16.8986 16.9983 17.1910 k = 0.0714 0.0000 0.1973 ( 1335 PWs) bands (ev): -42.5472 -42.5205 -18.9045 -18.8920 -18.7530 -18.7350 -18.5361 -18.5161 7.7995 10.0576 10.7606 11.1006 11.5182 11.8254 12.3596 12.3677 12.5706 12.6655 12.7578 12.9036 13.7164 14.1802 14.7603 15.0225 15.0958 16.1562 16.6912 16.7247 16.8508 17.0858 k = 0.0714 0.0000 0.2631 ( 1325 PWs) bands (ev): -42.5407 -42.5267 -18.8959 -18.8870 -18.7593 -18.7473 -18.5313 -18.5205 8.3921 9.6653 10.8460 11.1389 11.6337 11.6550 12.3783 12.3949 12.5033 12.5303 12.7626 12.9085 13.7360 14.0292 14.9476 15.0291 15.1500 15.7048 16.5274 16.5481 16.8340 16.9868 k = 0.0714 0.0000-0.3288 ( 1324 PWs) bands (ev): -42.5337 -42.5337 -18.8886 -18.8886 -18.7570 -18.7570 -18.5262 -18.5262 9.0548 9.0548 11.0059 11.0059 11.6342 11.6342 12.3771 12.3771 12.5214 12.5214 12.8391 12.8391 13.8670 13.8670 15.0438 15.0438 15.3201 15.3201 16.4691 16.4691 16.8946 16.8946 k = 0.0714 0.0599 0.0000 ( 1330 PWs) bands (ev): -42.5562 -42.5122 -18.9139 -18.9060 -18.7314 -18.7177 -18.5423 -18.5089 7.0378 10.2716 10.8245 10.8543 10.8879 12.1744 12.3291 12.3716 12.7028 12.8271 12.9303 13.1277 13.8567 14.5457 14.7044 14.8235 15.0438 16.7810 16.9062 16.9847 17.2683 17.2684 k = 0.0714 0.0599 0.0658 ( 1331 PWs) bands (ev): -42.5551 -42.5132 -18.9175 -18.8994 -18.7383 -18.7162 -18.5415 -18.5099 7.1344 10.2598 10.7835 10.9118 10.9989 12.1978 12.2713 12.3675 12.7330 12.7892 12.8176 13.1674 13.8577 14.4663 14.5236 14.9427 15.0709 16.7180 16.8348 17.0248 17.1096 17.3326 k = 0.0714 0.0599 0.1315 ( 1333 PWs) bands (ev): -42.5518 -42.5162 -18.9192 -18.8898 -18.7506 -18.7181 -18.5392 -18.5124 7.4185 10.2240 10.7720 11.0036 11.2398 12.0678 12.2823 12.3676 12.6082 12.7741 12.8200 13.0797 13.6881 14.2994 14.5179 15.0068 15.1162 16.5047 16.7101 16.8730 17.1320 17.1395 k = 0.0714 0.0599 0.1973 ( 1337 PWs) bands (ev): -42.5468 -42.5209 -18.9159 -18.8841 -18.7597 -18.7257 -18.5359 -18.5165 7.8722 10.0945 10.7801 11.1146 11.4943 11.8184 12.3660 12.3677 12.4982 12.7241 12.7726 12.9310 13.5674 14.1759 14.6187 14.9834 15.1984 16.1399 16.5379 16.8184 16.8471 17.1040 k = 0.0714 0.0599 0.2631 ( 1329 PWs) bands (ev): -42.5405 -42.5269 -18.9074 -18.8865 -18.7591 -18.7373 -18.5314 -18.5208 8.4601 9.7181 10.8554 11.1420 11.5994 11.6848 12.3478 12.4052 12.4800 12.5808 12.7726 12.9132 13.6433 14.0053 14.7391 14.9522 15.2788 15.7339 16.4152 16.5862 16.8504 17.0225 k = 0.0714 0.0599-0.3288 ( 1322 PWs) bands (ev): -42.5337 -42.5337 -18.8960 -18.8960 -18.7499 -18.7499 -18.5260 -18.5260 9.1166 9.1166 11.0077 11.0077 11.6389 11.6389 12.3731 12.3731 12.5259 12.5259 12.8460 12.8460 13.8151 13.8151 14.8681 14.8681 15.4259 15.4259 16.4279 16.4279 16.9284 16.9284 k = 0.0714 0.1199 0.0000 ( 1327 PWs) bands (ev): -42.5544 -42.5139 -18.9067 -18.8963 -18.7388 -18.7298 -18.5408 -18.5103 7.2695 10.1924 10.8511 10.9502 10.9545 12.1958 12.1960 12.4143 12.6630 12.7628 12.8524 12.9399 13.8356 14.5171 14.7120 14.7933 14.9793 16.4906 16.8002 16.8223 17.0632 17.2614 k = 0.0714 0.1199 0.0658 ( 1329 PWs) bands (ev): -42.5534 -42.5148 -18.9166 -18.8861 -18.7508 -18.7203 -18.5403 -18.5112 7.3641 10.2057 10.8505 10.9695 11.0380 12.1334 12.2358 12.4049 12.6240 12.7114 12.8440 13.0389 13.7056 14.4852 14.5275 14.8745 15.0644 16.4473 16.7170 16.8494 17.0309 17.2679 k = 0.0714 0.1199 0.1315 ( 1327 PWs) bands (ev): -42.5504 -42.5176 -18.9259 -18.8781 -18.7617 -18.7136 -18.5382 -18.5133 7.6420 10.2283 10.8493 11.0505 11.2195 11.9870 12.3048 12.3903 12.4832 12.7607 12.8286 13.1395 13.3642 14.3094 14.4456 14.8665 15.2281 16.3128 16.5328 16.8419 17.0107 17.2055 k = 0.0714 0.1199 0.1973 ( 1329 PWs) bands (ev): -42.5457 -42.5219 -18.9290 -18.8825 -18.7608 -18.7139 -18.5349 -18.5173 8.0852 10.1750 10.8351 11.1411 11.4288 11.8131 12.3029 12.3854 12.4576 12.7593 12.8088 13.0077 13.2565 14.1303 14.4423 14.7993 15.3425 16.0519 16.3712 16.7659 16.9083 17.1315 k = 0.0714 0.1199 0.2631 ( 1326 PWs) bands (ev): -42.5399 -42.5274 -18.9241 -18.8968 -18.7492 -18.7214 -18.5309 -18.5213 8.6581 9.8625 10.8755 11.1352 11.5625 11.7201 12.2732 12.4124 12.4904 12.6364 12.7989 12.9184 13.4264 13.9207 14.4945 14.7067 15.4048 15.7410 16.2912 16.5341 16.9135 17.0762 k = 0.0714 0.1199-0.3288 ( 1318 PWs) bands (ev): -42.5336 -42.5336 -18.9124 -18.9124 -18.7340 -18.7340 -18.5260 -18.5260 9.2939 9.2939 11.0050 11.0050 11.6540 11.6540 12.3500 12.3500 12.5409 12.5409 12.8620 12.8620 13.6707 13.6707 14.5922 14.5922 15.5121 15.5121 16.3438 16.3438 16.9923 16.9923 k = 0.0714 0.1798 0.0000 ( 1328 PWs) bands (ev): -42.5520 -42.5163 -18.8969 -18.8813 -18.7491 -18.7475 -18.5393 -18.5124 7.6385 9.9086 10.9509 11.0286 11.1090 12.0204 12.2250 12.4639 12.4724 12.6681 12.8025 12.8792 13.8499 14.4864 14.7206 14.7313 14.9170 16.0776 16.6371 16.7714 16.8606 17.2586 k = 0.0714 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5511 -42.5171 -18.9099 -18.8738 -18.7632 -18.7299 -18.5386 -18.5132 7.7295 9.9555 10.9598 11.0548 11.1424 11.9906 12.2559 12.4073 12.4484 12.6845 12.8481 12.8799 13.7258 14.4435 14.5256 14.7535 15.0747 16.0671 16.6097 16.6562 16.9504 17.2359 k = 0.0714 0.1798 0.1315 ( 1332 PWs) bands (ev): -42.5484 -42.5195 -18.9263 -18.8766 -18.7640 -18.7159 -18.5369 -18.5151 7.9965 10.0746 10.9625 11.1151 11.2450 11.9134 12.2431 12.3542 12.4410 12.7406 12.8434 12.9166 13.4503 14.2528 14.3788 14.6802 15.3017 16.0112 16.3989 16.6756 16.9831 17.1845 k = 0.0714 0.1798 0.1973 ( 1329 PWs) bands (ev): -42.5443 -42.5233 -18.9366 -18.8934 -18.7503 -18.7086 -18.5338 -18.5181 8.4208 10.1812 10.9044 11.1567 11.4006 11.8183 12.1410 12.4113 12.4752 12.7555 12.8371 12.8913 13.2296 14.0218 14.3131 14.5642 15.4210 15.8758 16.2489 16.6162 16.9611 17.1330 k = 0.0714 0.1798 0.2631 ( 1325 PWs) bands (ev): -42.5391 -42.5281 -18.9380 -18.9136 -18.7326 -18.7092 -18.5303 -18.5220 8.9651 10.0431 10.8657 11.1072 11.5605 11.7485 12.1627 12.4051 12.5180 12.6513 12.8298 12.8883 13.2679 13.7690 14.3059 14.4447 15.4531 15.6773 16.1896 16.4222 16.9799 17.1021 k = 0.0714 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5336 -42.5336 -18.9296 -18.9296 -18.7178 -18.7178 -18.5261 -18.5261 9.5574 9.5574 10.9755 10.9755 11.6799 11.6799 12.2888 12.2888 12.5621 12.5621 12.8732 12.8732 13.4857 13.4857 14.3526 14.3526 15.5203 15.5203 16.2427 16.2427 17.0450 17.0450 k = 0.0714 0.2398 0.0000 ( 1331 PWs) bands (ev): -42.5497 -42.5185 -18.8878 -18.8655 -18.7662 -18.7586 -18.5377 -18.5143 8.1054 9.4378 11.0632 11.1053 11.2852 11.9042 12.2157 12.2613 12.4992 12.6337 12.7452 12.8855 13.8913 14.4675 14.6668 14.7277 14.8759 15.7301 16.5120 16.7116 16.7449 17.2574 k = 0.0714 0.2398 0.0658 ( 1331 PWs) bands (ev): -42.5489 -42.5192 -18.9002 -18.8683 -18.7678 -18.7436 -18.5371 -18.5149 8.1910 9.5061 11.0802 11.1241 11.2993 11.8978 12.1548 12.2892 12.4773 12.6619 12.7703 12.8810 13.8023 14.4067 14.5031 14.6471 15.0788 15.7575 16.5010 16.5152 16.9043 17.2247 k = 0.0714 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5465 -42.5213 -18.9207 -18.8853 -18.7543 -18.7243 -18.5353 -18.5166 8.4411 9.6973 11.0657 11.1932 11.3566 11.8768 12.0113 12.3704 12.4572 12.7125 12.7817 12.8726 13.6105 14.1577 14.3407 14.5055 15.3483 15.7638 16.2882 16.5105 16.9974 17.1527 k = 0.0714 0.2398 0.1973 ( 1326 PWs) bands (ev): -42.5429 -42.5245 -18.9370 -18.9087 -18.7344 -18.7101 -18.5329 -18.5193 8.8347 9.9599 10.9480 11.2441 11.4629 11.7909 11.9597 12.4386 12.4883 12.6597 12.8162 12.8630 13.4021 13.8497 14.2375 14.3696 15.4716 15.6994 16.1698 16.4475 17.0121 17.1031 k = 0.0714 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.5384 -42.5287 -18.9449 -18.9295 -18.7173 -18.7042 -18.5298 -18.5226 9.3293 10.1218 10.7890 11.1272 11.5981 11.7495 12.0366 12.3769 12.5402 12.6024 12.8502 12.8613 13.2844 13.5751 14.1886 14.2606 15.4758 15.5907 16.1129 16.2882 17.0299 17.0967 k = 0.0714 0.2398-0.3288 ( 1324 PWs) bands (ev): -42.5335 -42.5335 -18.9420 -18.9420 -18.7064 -18.7064 -18.5261 -18.5261 9.8380 9.8380 10.9022 10.9022 11.7093 11.7093 12.1973 12.1973 12.5778 12.5778 12.8673 12.8673 13.3543 13.3543 14.1987 14.1987 15.5040 15.5040 16.1374 16.1374 17.0734 17.0734 k = 0.0714-0.2997 0.0000 ( 1336 PWs) bands (ev): -42.5488 -42.5194 -18.8840 -18.8576 -18.7752 -18.7626 -18.5372 -18.5153 8.4545 9.0737 11.1019 11.1479 11.3818 11.8689 12.0970 12.2673 12.5109 12.6205 12.7308 12.8841 13.9167 14.4625 14.6381 14.7303 14.8620 15.5917 16.4633 16.6572 16.7366 17.2568 k = 0.0714-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5480 -42.5201 -18.8941 -18.8689 -18.7647 -18.7531 -18.5364 -18.5157 8.5337 9.1527 11.1348 11.1504 11.3930 11.8704 12.0310 12.2977 12.4860 12.6530 12.7488 12.8809 13.8461 14.3886 14.4959 14.5983 15.0803 15.6380 16.4572 16.4617 16.8908 17.2219 k = 0.0714-0.2997 0.1315 ( 1324 PWs) bands (ev): -42.5458 -42.5220 -18.9150 -18.8927 -18.7430 -18.7343 -18.5348 -18.5171 8.7644 9.3791 11.1107 11.2230 11.4558 11.8606 11.8801 12.3798 12.4619 12.6940 12.7614 12.8741 13.7043 14.0888 14.3372 14.4240 15.3719 15.6636 16.2457 16.4463 17.0035 17.1395 k = 0.0714-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.5423 -42.5251 -18.9344 -18.9177 -18.7227 -18.7172 -18.5329 -18.5194 9.1229 9.7150 10.9667 11.3076 11.5858 11.6600 11.9084 12.4554 12.4873 12.6095 12.8127 12.8702 13.5628 13.6823 14.2145 14.2948 15.5166 15.6013 16.1444 16.3735 17.0508 17.0679 k = 0.0714-0.2997 0.2631 ( 1334 PWs) bands (ev): -42.5381 -42.5290 -18.9459 -18.9369 -18.7084 -18.7058 -18.5297 -18.5228 9.5623 10.0466 10.7614 11.1597 11.6400 11.7145 11.9800 12.3554 12.5501 12.5731 12.8501 12.8679 13.3805 13.4186 14.1497 14.1969 15.5157 15.5214 16.0868 16.2219 17.0554 17.0829 k = 0.0714-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.5335 -42.5335 -18.9467 -18.9467 -18.7029 -18.7029 -18.5263 -18.5263 9.9790 9.9790 10.8450 10.8450 11.7237 11.7237 12.1475 12.1475 12.5827 12.5827 12.8601 12.8601 13.3147 13.3147 14.1460 14.1460 15.4972 15.4972 16.0882 16.0882 17.0807 17.0807 k = 0.1429 0.0000 0.0000 ( 1344 PWs) bands (ev): -42.5472 -42.5022 -18.9077 -18.9004 -18.7213 -18.7061 -18.6215 -18.5830 7.2976 10.5391 10.9081 10.9986 11.0104 12.1008 12.2056 12.3779 12.6488 12.7278 12.9683 13.3046 13.6690 14.2523 14.7405 14.9106 15.1122 16.6571 16.6923 16.8636 17.2743 17.8429 k = 0.1429 0.0000 0.0658 ( 1338 PWs) bands (ev): -42.5460 -42.5033 -18.9060 -18.8976 -18.7248 -18.7087 -18.6204 -18.5837 7.3912 10.5173 10.9035 11.0453 11.1027 12.1157 12.1914 12.3176 12.6619 12.7167 12.8766 13.2144 13.8187 14.1308 14.7253 14.9204 15.1594 16.5235 16.6688 16.8796 17.1259 18.0277 k = 0.1429 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5427 -42.5064 -18.9018 -18.8908 -18.7339 -18.7159 -18.6180 -18.5863 7.6669 10.4656 10.9152 11.1421 11.3326 12.0449 12.1461 12.2741 12.5917 12.6874 12.8455 12.9079 13.9740 14.0607 14.7038 14.9494 15.2266 16.2784 16.5959 16.7321 16.9692 17.5387 k = 0.1429 0.0000 0.1973 ( 1333 PWs) bands (ev): -42.5376 -42.5112 -18.8946 -18.8828 -18.7441 -18.7271 -18.6135 -18.5903 8.1080 10.3223 10.9381 11.2711 11.6009 11.7954 12.1665 12.2777 12.4877 12.5012 12.6828 12.8661 13.9435 14.1694 14.7590 15.0077 15.2648 16.0277 16.4831 16.5382 16.7944 17.1077 k = 0.1429 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5312 -42.5173 -18.8862 -18.8777 -18.7506 -18.7392 -18.6081 -18.5959 8.6822 9.9335 11.0160 11.3207 11.6368 11.7506 12.1757 12.2501 12.3484 12.4719 12.6590 12.8142 13.9780 14.1137 14.9125 15.1196 15.2799 15.7798 16.3809 16.4235 16.6080 16.7911 k = 0.1429 0.0000-0.3288 ( 1332 PWs) bands (ev): -42.5242 -42.5242 -18.8795 -18.8795 -18.7484 -18.7484 -18.6020 -18.6020 9.3293 9.3293 11.1695 11.1695 11.6992 11.6992 12.1996 12.1996 12.4497 12.4497 12.6948 12.6948 14.0324 14.0324 15.0728 15.0728 15.4859 15.4859 16.3650 16.3650 16.6039 16.6039 k = 0.1429 0.0599 0.0000 ( 1341 PWs) bands (ev): -42.5465 -42.5029 -18.9052 -18.8967 -18.7244 -18.7102 -18.6207 -18.5834 7.3735 10.5360 10.9386 10.9966 11.0358 12.1071 12.2062 12.3186 12.6340 12.7464 12.8963 13.1512 13.7629 14.3007 14.7341 14.9091 15.1053 16.5577 16.6100 16.8651 17.2101 17.6500 k = 0.1429 0.0599 0.0658 ( 1335 PWs) bands (ev): -42.5454 -42.5039 -18.9083 -18.8900 -18.7305 -18.7088 -18.6199 -18.5842 7.4663 10.5199 10.9327 11.0658 11.0999 12.1113 12.1858 12.2817 12.6503 12.7230 12.7901 13.2084 13.7115 14.2468 14.7166 14.9297 15.1426 16.4852 16.5294 16.9012 17.0611 17.8049 k = 0.1429 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5422 -42.5069 -18.9100 -18.8806 -18.7424 -18.7106 -18.6173 -18.5869 7.7396 10.4791 10.9434 11.1637 11.3125 11.9991 12.1667 12.2672 12.5589 12.6710 12.7562 13.0726 13.6608 14.2381 14.6839 14.9807 15.1909 16.2590 16.4403 16.7603 16.9839 17.6146 k = 0.1429 0.0599 0.1973 ( 1335 PWs) bands (ev): -42.5372 -42.5115 -18.9061 -18.8748 -18.7510 -18.7176 -18.6130 -18.5909 8.1765 10.3513 10.9583 11.2889 11.5499 11.7947 12.1781 12.2460 12.4423 12.5639 12.6912 12.9084 13.7374 14.2196 14.6994 15.0714 15.1926 16.0434 16.3040 16.6082 16.8927 17.1362 k = 0.1429 0.0599 0.2631 ( 1332 PWs) bands (ev): -42.5310 -42.5175 -18.8975 -18.8771 -18.7507 -18.7290 -18.6077 -18.5960 8.7448 9.9777 11.0233 11.3174 11.6145 11.7601 12.1723 12.2179 12.3948 12.4816 12.6671 12.8231 13.8531 14.1066 14.8024 15.1118 15.2469 15.8237 16.2243 16.5799 16.6503 16.8189 k = 0.1429 0.0599-0.3288 ( 1332 PWs) bands (ev): -42.5242 -42.5242 -18.8865 -18.8865 -18.7417 -18.7417 -18.6020 -18.6020 9.3840 9.3840 11.1653 11.1653 11.7038 11.7038 12.1955 12.1955 12.4570 12.4570 12.7049 12.7049 13.9727 13.9727 14.9621 14.9621 15.5199 15.5199 16.3586 16.3586 16.6651 16.6651 k = 0.1429 0.1199 0.0000 ( 1329 PWs) bands (ev): -42.5448 -42.5046 -18.8977 -18.8867 -18.7311 -18.7220 -18.6190 -18.5847 7.5971 10.4607 11.0257 11.0273 11.0964 12.1244 12.1317 12.2284 12.5711 12.7389 12.7758 12.9204 13.9120 14.4117 14.7187 14.9061 15.0768 16.2985 16.4956 16.7735 17.1161 17.2682 k = 0.1429 0.1199 0.0658 ( 1333 PWs) bands (ev): -42.5437 -42.5055 -18.9071 -18.8770 -18.7428 -18.7129 -18.6183 -18.5856 7.6874 10.4685 11.0175 11.0989 11.1324 12.0457 12.1696 12.2375 12.5744 12.6345 12.7707 13.0300 13.7489 14.3829 14.6958 14.9278 15.1133 16.2583 16.4049 16.8415 16.9459 17.4337 k = 0.1429 0.1199 0.1315 ( 1338 PWs) bands (ev): -42.5408 -42.5082 -18.9163 -18.8692 -18.7535 -18.7063 -18.6159 -18.5882 7.9531 10.4769 11.0289 11.2145 11.2600 11.9165 12.1945 12.2347 12.4596 12.6326 12.7504 13.1830 13.3748 14.3246 14.6453 14.9707 15.1640 16.1652 16.2339 16.7705 16.9335 17.5250 k = 0.1429 0.1199 0.1973 ( 1337 PWs) bands (ev): -42.5362 -42.5125 -18.9189 -18.8734 -18.7524 -18.7065 -18.6121 -18.5920 8.3771 10.4107 11.0198 11.3108 11.4392 11.8029 12.1469 12.2133 12.4262 12.6064 12.7103 13.0206 13.3774 14.2166 14.6145 14.9794 15.1988 16.0443 16.1096 16.6723 16.9531 17.1965 k = 0.1429 0.1199 0.2631 ( 1335 PWs) bands (ev): -42.5304 -42.5180 -18.9142 -18.8873 -18.7409 -18.7135 -18.6074 -18.5966 8.9267 10.0967 11.0406 11.2766 11.5932 11.7772 12.1284 12.2079 12.4451 12.5260 12.6857 12.8392 13.5862 14.0275 14.6509 14.8952 15.3152 15.8344 16.1441 16.6616 16.7550 16.8887 k = 0.1429 0.1199-0.3288 ( 1332 PWs) bands (ev): -42.5242 -42.5242 -18.9025 -18.9025 -18.7260 -18.7260 -18.6021 -18.6021 9.5403 9.5403 11.1457 11.1457 11.7192 11.7192 12.1808 12.1808 12.4791 12.4791 12.7242 12.7242 13.8053 13.8053 14.7598 14.7598 15.5507 15.5507 16.3621 16.3621 16.7789 16.7789 k = 0.1429 0.1798 0.0000 ( 1326 PWs) bands (ev): -42.5424 -42.5069 -18.8879 -18.8720 -18.7412 -18.7391 -18.6167 -18.5870 7.9532 10.1824 11.1197 11.1635 11.1790 11.9543 12.1466 12.2097 12.3922 12.6396 12.7679 12.7904 14.0785 14.5285 14.7005 14.9007 15.0247 16.0333 16.3724 16.6024 16.8980 17.0524 k = 0.1429 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5414 -42.5077 -18.9004 -18.8647 -18.7550 -18.7220 -18.6159 -18.5877 8.0392 10.2220 11.1333 11.1806 11.2121 11.9193 12.1745 12.2083 12.3683 12.5999 12.7775 12.8371 13.9255 14.4660 14.6758 14.8710 15.1195 16.0085 16.2888 16.6591 16.8332 17.1433 k = 0.1429 0.1798 0.1315 ( 1336 PWs) bands (ev): -42.5388 -42.5101 -18.9165 -18.8673 -18.7556 -18.7082 -18.6140 -18.5899 8.2918 10.3194 11.1459 11.2242 11.3084 11.8590 12.1224 12.2166 12.3687 12.6024 12.7542 12.9201 13.5787 14.3229 14.6096 14.8429 15.2277 15.9890 16.1185 16.7590 16.7797 17.2215 k = 0.1429 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5347 -42.5139 -18.9261 -18.8839 -18.7422 -18.7008 -18.6109 -18.5933 8.6931 10.3944 11.0899 11.2512 11.4554 11.8159 12.0139 12.2386 12.4222 12.6177 12.7172 12.9603 13.2838 14.1345 14.5470 14.7765 15.2824 15.9437 16.0504 16.7368 16.8476 17.1206 k = 0.1429 0.1798 0.2631 ( 1337 PWs) bands (ev): -42.5296 -42.5187 -18.9273 -18.9038 -18.7249 -18.7016 -18.6067 -18.5974 9.2081 10.2395 11.0267 11.2005 11.6194 11.7909 12.0509 12.2266 12.4597 12.5919 12.6945 12.8173 13.3549 13.8737 14.5351 14.6804 15.3831 15.8026 16.1174 16.6554 16.7984 16.9575 k = 0.1429 0.1798-0.3288 ( 1332 PWs) bands (ev): -42.5241 -42.5241 -18.9194 -18.9194 -18.7100 -18.7100 -18.6019 -18.6019 9.7707 9.7707 11.0958 11.0958 11.7436 11.7436 12.1553 12.1553 12.5124 12.5124 12.7233 12.7233 13.5899 13.5899 14.5878 14.5878 15.5799 15.5799 16.3302 16.3302 16.8781 16.8781 k = 0.1429 0.2398 0.0000 ( 1330 PWs) bands (ev): -42.5401 -42.5090 -18.8789 -18.8560 -18.7577 -18.7507 -18.6146 -18.5890 8.4033 9.7188 11.2208 11.2673 11.3173 11.8555 12.1350 12.1790 12.2074 12.5965 12.7112 12.7643 14.2473 14.6134 14.6836 14.8949 14.9702 15.8263 16.2861 16.4445 16.6254 17.0161 k = 0.1429 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5393 -42.5098 -18.8905 -18.8588 -18.7594 -18.7355 -18.6140 -18.5894 8.4831 9.7786 11.2394 11.2836 11.3285 11.8482 12.0857 12.1858 12.2395 12.5745 12.7425 12.7624 14.1304 14.4758 14.6751 14.7878 15.1565 15.8298 16.1755 16.4752 16.6922 17.0273 k = 0.1429 0.2398 0.1315 ( 1332 PWs) bands (ev): -42.5370 -42.5118 -18.9107 -18.8756 -18.7462 -18.7167 -18.6124 -18.5914 8.7160 9.9446 11.2060 11.3595 11.3874 11.8404 11.9375 12.2140 12.3281 12.5766 12.7285 12.7876 13.8309 14.2392 14.5910 14.7131 15.3257 15.8361 16.0479 16.5433 16.7611 17.0386 k = 0.1429 0.2398 0.1973 ( 1334 PWs) bands (ev): -42.5334 -42.5151 -18.9265 -18.8987 -18.7265 -18.7026 -18.6095 -18.5944 9.0819 10.1672 11.0757 11.3846 11.5084 11.7861 11.8823 12.2569 12.4252 12.5885 12.6755 12.8173 13.4754 13.9897 14.5021 14.6280 15.3881 15.7934 16.0932 16.5922 16.7904 17.0040 k = 0.1429 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.5289 -42.5193 -18.9339 -18.9189 -18.7094 -18.6961 -18.6058 -18.5980 9.5407 10.2871 10.9207 11.2241 11.6573 11.7878 11.9711 12.2607 12.4613 12.6115 12.6470 12.7727 13.3064 13.6997 14.4610 14.5450 15.4820 15.7589 16.1135 16.4693 16.8592 16.9630 k = 0.1429 0.2398-0.3288 ( 1332 PWs) bands (ev): -42.5241 -42.5241 -18.9312 -18.9312 -18.6986 -18.6986 -18.6020 -18.6020 10.0123 10.0123 11.0123 11.0123 11.7652 11.7652 12.1281 12.1281 12.5527 12.5527 12.6777 12.6777 13.4323 13.4323 14.4815 14.4815 15.6455 15.6455 16.2198 16.2198 16.9349 16.9349 k = 0.1429-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5392 -42.5100 -18.8750 -18.8479 -18.7663 -18.7546 -18.6139 -18.5900 8.7359 9.3673 11.2567 11.3140 11.4005 11.8319 12.0489 12.1597 12.1946 12.5816 12.6993 12.7453 14.3315 14.6446 14.6732 14.8925 14.9455 15.7429 16.2562 16.3849 16.5206 17.0039 k = 0.1429-0.2997 0.0658 ( 1326 PWs) bands (ev): -42.5384 -42.5106 -18.8847 -18.8592 -18.7561 -18.7453 -18.6131 -18.5904 8.8090 9.4378 11.2907 11.3125 11.4110 11.8320 11.9876 12.1708 12.2293 12.5650 12.7169 12.7498 14.2560 14.4328 14.6997 14.7308 15.1816 15.7588 16.1276 16.3932 16.6343 17.0016 k = 0.1429-0.2997 0.1315 ( 1332 PWs) bands (ev): -42.5362 -42.5126 -18.9050 -18.8832 -18.7350 -18.7263 -18.6119 -18.5923 9.0211 9.6386 11.2414 11.3863 11.4928 11.8164 11.8405 12.2033 12.3204 12.5652 12.7006 12.7673 14.0399 14.0916 14.5955 14.6518 15.3984 15.7341 16.0525 16.4229 16.7545 16.9865 k = 0.1429-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5328 -42.5156 -18.9239 -18.9075 -18.7149 -18.7091 -18.6087 -18.5948 9.3499 9.9331 11.0768 11.5195 11.5710 11.6354 11.8687 12.2620 12.4377 12.5360 12.6563 12.7967 13.6094 13.8737 14.4865 14.5763 15.4850 15.6714 16.1793 16.4133 16.8156 16.9559 k = 0.1429-0.2997 0.2631 ( 1338 PWs) bands (ev): -42.5286 -42.5196 -18.9348 -18.9261 -18.7007 -18.6980 -18.6056 -18.5984 9.7511 10.2121 10.8782 11.2628 11.6718 11.7694 11.9414 12.2874 12.4606 12.5463 12.6516 12.7685 13.3327 13.6100 14.4340 14.5011 15.5964 15.6626 16.2034 16.2796 16.8923 16.9458 k = 0.1429-0.2997-0.3288 ( 1328 PWs) bands (ev): -42.5241 -42.5241 -18.9354 -18.9354 -18.6944 -18.6944 -18.6019 -18.6019 10.1311 10.1311 10.9570 10.9570 11.7728 11.7728 12.1161 12.1161 12.5943 12.5943 12.6225 12.6225 13.3819 13.3819 14.4462 14.4462 15.6992 15.6992 16.1363 16.1363 16.9518 16.9518 k = 0.2143 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.5331 -42.4888 -18.8949 -18.8868 -18.7338 -18.7110 -18.6975 -18.6874 7.8386 10.9460 11.0352 11.2093 11.2107 12.0102 12.0158 12.3653 12.5628 12.6298 12.9175 13.4066 13.4401 13.7025 14.8302 14.9862 15.5984 16.2374 16.2428 16.8641 17.3067 18.5060 k = 0.2143 0.0000 0.0658 ( 1349 PWs) bands (ev): -42.5320 -42.4898 -18.8931 -18.8842 -18.7330 -18.7131 -18.6998 -18.6883 7.9254 10.9070 11.0911 11.2446 11.2593 12.0055 12.0213 12.2883 12.5626 12.6166 12.8860 13.1549 13.5443 13.8503 14.8362 14.9799 15.6000 16.1688 16.2193 16.8478 17.1475 18.7131 k = 0.2143 0.0000 0.1315 ( 1333 PWs) bands (ev): -42.5287 -42.4928 -18.8881 -18.8774 -18.7315 -18.7186 -18.7059 -18.6916 8.1811 10.8541 11.1527 11.3408 11.4179 11.9395 12.0235 12.1872 12.4866 12.5695 12.7233 12.8823 13.7372 14.0468 14.8580 14.9693 15.6020 16.0437 16.1560 16.6691 16.9438 18.1051 k = 0.2143 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.5237 -42.4976 -18.8808 -18.8697 -18.7347 -18.7200 -18.7161 -18.6968 8.5911 10.7208 11.1873 11.4816 11.6499 11.7603 12.0070 12.1657 12.2675 12.3872 12.5725 12.8469 13.9204 14.2183 14.9173 14.9783 15.5893 15.9812 16.0940 16.3591 16.7771 17.4177 k = 0.2143 0.0000 0.2631 ( 1331 PWs) bands (ev): -42.5174 -42.5037 -18.8720 -18.8646 -18.7390 -18.7279 -18.7155 -18.7027 9.1275 10.3315 11.2447 11.5369 11.6645 11.8560 11.9818 12.1098 12.1320 12.3558 12.5279 12.6970 14.0837 14.2815 15.0397 15.0733 15.5293 15.8921 16.1258 16.2068 16.5566 16.8642 k = 0.2143 0.0000-0.3288 ( 1336 PWs) bands (ev): -42.5105 -42.5105 -18.8658 -18.8658 -18.7370 -18.7370 -18.7093 -18.7093 9.7406 9.7406 11.3678 11.3678 11.8178 11.8178 12.0016 12.0016 12.3196 12.3196 12.5213 12.5213 14.2168 14.2168 15.1410 15.1410 15.6131 15.6131 16.2623 16.2623 16.4878 16.4878 k = 0.2143 0.0599 0.0000 ( 1353 PWs) bands (ev): -42.5325 -42.4894 -18.8922 -18.8829 -18.7332 -18.7137 -18.7010 -18.6883 7.9092 10.9419 11.0590 11.2093 11.2318 11.9974 12.0201 12.2911 12.5422 12.6542 12.8277 13.1302 13.7090 13.8040 14.8388 14.9853 15.5868 16.1769 16.2017 16.8453 17.2297 18.1957 k = 0.2143 0.0599 0.0658 ( 1344 PWs) bands (ev): -42.5314 -42.4904 -18.8952 -18.8768 -18.7326 -18.7180 -18.6997 -18.6891 7.9949 10.9107 11.1095 11.2483 11.2694 11.9783 12.0299 12.2368 12.5506 12.6150 12.7766 13.1826 13.4906 13.9943 14.8463 14.9805 15.5843 16.0885 16.2003 16.8455 17.0688 18.3862 k = 0.2143 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5282 -42.4933 -18.8960 -18.8674 -18.7344 -18.7241 -18.7010 -18.6919 8.2470 10.8607 11.1705 11.3577 11.3928 11.8985 12.0402 12.1564 12.4659 12.5499 12.6897 13.0245 13.5338 14.1703 14.8652 14.9739 15.5686 15.9559 16.1538 16.6815 16.9084 18.2148 k = 0.2143 0.0599 0.1973 ( 1338 PWs) bands (ev): -42.5233 -42.4980 -18.8919 -18.8617 -18.7401 -18.7219 -18.7069 -18.6966 8.6509 10.7315 11.1967 11.5050 11.5430 11.7970 12.0169 12.0979 12.3441 12.4034 12.5803 12.8841 13.7444 14.2769 14.9099 15.0000 15.5063 15.9257 16.0843 16.4188 16.7986 17.4960 k = 0.2143 0.0599 0.2631 ( 1336 PWs) bands (ev): -42.5172 -42.5039 -18.8833 -18.8637 -18.7392 -18.7199 -18.7136 -18.7028 9.1783 10.3550 11.2360 11.4756 11.6750 11.8669 12.0000 12.0593 12.2317 12.3535 12.5364 12.7154 13.9653 14.2661 14.9886 15.1253 15.4112 15.8902 16.0726 16.3412 16.6163 16.9003 k = 0.2143 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.5105 -42.5105 -18.8727 -18.8727 -18.7304 -18.7304 -18.7091 -18.7091 9.7792 9.7792 11.3368 11.3368 11.8329 11.8329 12.0120 12.0120 12.3257 12.3257 12.5420 12.5420 14.1493 14.1493 15.1047 15.1047 15.5768 15.5768 16.3428 16.3428 16.5127 16.5127 k = 0.2143 0.1199 0.0000 ( 1341 PWs) bands (ev): -42.5307 -42.4910 -18.8848 -18.8732 -18.7312 -18.7207 -18.7109 -18.6904 8.1171 10.8660 11.1282 11.2309 11.2903 11.9306 12.0316 12.1526 12.4579 12.6712 12.6735 12.8928 13.9871 14.0162 14.8650 14.9866 15.5523 16.0456 16.1011 16.7508 17.0695 17.6261 k = 0.2143 0.1199 0.0658 ( 1341 PWs) bands (ev): -42.5297 -42.4919 -18.8937 -18.8639 -18.7345 -18.7264 -18.7032 -18.6910 8.1992 10.8643 11.1532 11.2497 11.3299 11.8970 12.0386 12.1430 12.4828 12.5513 12.7076 12.9729 13.6981 14.2036 14.8719 14.9830 15.5376 15.9402 16.1329 16.7817 16.9066 17.8062 k = 0.2143 0.1199 0.1315 ( 1343 PWs) bands (ev): -42.5268 -42.4947 -18.9022 -18.8563 -18.7427 -18.7252 -18.6983 -18.6918 8.4406 10.8448 11.2134 11.2987 11.4315 11.8343 12.0585 12.0854 12.4092 12.5208 12.6836 13.1453 13.3394 14.3166 14.8867 14.9822 15.4658 15.8399 16.1156 16.6679 16.8268 18.0480 k = 0.2143 0.1199 0.1973 ( 1342 PWs) bands (ev): -42.5223 -42.4989 -18.9044 -18.8600 -18.7416 -18.7210 -18.7004 -18.6932 8.8259 10.7433 11.2307 11.3458 11.5647 11.8281 11.9915 12.0708 12.3512 12.4872 12.5978 13.0103 13.4170 14.3129 14.9065 15.0379 15.3272 15.8628 16.0721 16.4980 16.8165 17.6404 k = 0.2143 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.5166 -42.5044 -18.8993 -18.8732 -18.7301 -18.7159 -18.7054 -18.6997 9.3259 10.4156 11.2167 11.3207 11.7222 11.8835 12.0186 12.0477 12.3448 12.3717 12.5555 12.7743 13.7022 14.1789 14.9374 15.1534 15.2537 15.8383 16.1201 16.4780 16.7231 16.9917 k = 0.2143 0.1199-0.3288 ( 1334 PWs) bands (ev): -42.5105 -42.5105 -18.8881 -18.8881 -18.7168 -18.7168 -18.7072 -18.7072 9.8888 9.8888 11.2563 11.2563 11.8647 11.8647 12.0388 12.0388 12.3443 12.3443 12.5975 12.5975 13.9653 13.9653 15.0231 15.0231 15.5504 15.5504 16.4672 16.4672 16.5891 16.5891 k = 0.2143 0.1798 0.0000 ( 1330 PWs) bands (ev): -42.5284 -42.4933 -18.8748 -18.8583 -18.7318 -18.7302 -18.7239 -18.6928 8.4480 10.5873 11.2336 11.3044 11.3703 11.8233 12.0433 12.0590 12.2870 12.5840 12.6355 12.7617 14.2384 14.2825 14.8989 14.9913 15.5019 15.9496 15.9612 16.5621 16.9212 17.0773 k = 0.2143 0.1798 0.0658 ( 1335 PWs) bands (ev): -42.5275 -42.4941 -18.8869 -18.8514 -18.7441 -18.7260 -18.7119 -18.6935 8.5241 10.6103 11.2215 11.3226 11.4101 11.8096 12.0287 12.0716 12.3191 12.5131 12.6734 12.7869 13.9837 14.4036 14.9078 14.9853 15.4746 15.8259 16.0474 16.5769 16.7825 17.2698 k = 0.2143 0.1798 0.1315 ( 1343 PWs) bands (ev): -42.5249 -42.4965 -18.9021 -18.8540 -18.7448 -18.7235 -18.7003 -18.6935 8.7471 10.6610 11.2020 11.3479 11.5034 11.8026 11.9874 12.0702 12.3443 12.4922 12.6715 12.8837 13.6094 14.4166 14.9226 14.9833 15.3486 15.8083 16.0483 16.5745 16.7330 17.4752 k = 0.2143 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5209 -42.5002 -18.9113 -18.8697 -18.7314 -18.7191 -18.7007 -18.6886 9.1004 10.6711 11.1665 11.2988 11.6276 11.8529 11.9248 12.0967 12.3359 12.5256 12.5954 13.0712 13.2570 14.2779 14.9027 15.0590 15.2177 15.8769 16.0381 16.5435 16.7740 17.4714 k = 0.2143 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.5159 -42.5050 -18.9118 -18.8893 -18.7174 -18.7122 -18.7040 -18.6894 9.5525 10.4784 11.1222 11.2098 11.7744 11.9125 11.9815 12.1085 12.3282 12.4676 12.5760 12.8829 13.4238 14.0220 14.8945 15.0368 15.3236 15.8794 16.1142 16.5869 16.7654 17.0232 k = 0.2143 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.5104 -42.5104 -18.9045 -18.9045 -18.7113 -18.7113 -18.6975 -18.6975 10.0480 10.0480 11.1467 11.1467 11.8958 11.8958 12.0690 12.0690 12.3636 12.3636 12.6785 12.6785 13.7258 13.7258 14.9418 14.9418 15.6119 15.6119 16.4817 16.4817 16.7018 16.7018 k = 0.2143 0.2398 0.0000 ( 1323 PWs) bands (ev): -42.5263 -42.4954 -18.8658 -18.8422 -18.7460 -18.7396 -18.7242 -18.6947 8.8653 10.1346 11.3505 11.3920 11.4421 11.7933 11.9774 12.0214 12.1413 12.5398 12.5871 12.6913 14.4108 14.5791 14.9277 14.9816 15.4526 15.8321 15.9432 16.3598 16.6284 16.8243 k = 0.2143 0.2398 0.0658 ( 1329 PWs) bands (ev): -42.5255 -42.4961 -18.8772 -18.8454 -18.7482 -18.7248 -18.7233 -18.6957 8.9326 10.1748 11.3193 11.4187 11.4738 11.7895 11.9547 12.0295 12.1936 12.4904 12.6184 12.6974 14.2319 14.5743 14.9441 14.9765 15.4389 15.7755 15.9721 16.3694 16.6242 16.9166 k = 0.2143 0.2398 0.1315 ( 1337 PWs) bands (ev): -42.5232 -42.4982 -18.8963 -18.8620 -18.7354 -18.7215 -18.7067 -18.6967 9.1289 10.2840 11.2421 11.4571 11.5467 11.7855 11.9166 12.0603 12.2841 12.4604 12.6472 12.7207 13.8733 14.4512 14.9462 14.9791 15.3396 15.8351 15.9587 16.4457 16.6476 17.0389 k = 0.2143 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.5196 -42.5015 -18.9113 -18.8844 -18.7198 -18.7149 -18.7016 -18.6905 9.4353 10.4236 11.1057 11.3784 11.6670 11.8282 11.9195 12.1232 12.3304 12.4862 12.5826 12.8823 13.4757 14.1890 14.8920 14.9926 15.3423 15.8334 16.0932 16.5407 16.6804 17.0502 k = 0.2143 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5152 -42.5057 -18.9180 -18.9038 -18.7147 -18.7070 -18.6966 -18.6843 9.8172 10.4674 10.9679 11.2027 11.8166 11.9193 11.9622 12.1875 12.3104 12.4446 12.6215 12.9806 13.2672 13.8507 14.8616 14.9499 15.5067 15.9789 16.0670 16.6483 16.6835 16.8795 k = 0.2143 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.5104 -42.5104 -18.9157 -18.9157 -18.7102 -18.7102 -18.6870 -18.6870 10.2112 10.2112 11.0331 11.0331 11.9203 11.9203 12.0876 12.0876 12.3696 12.3696 12.7698 12.7698 13.5165 13.5165 14.8862 14.8862 15.7819 15.7819 16.3513 16.3513 16.7740 16.7740 k = 0.2143-0.2997 0.0000 ( 1320 PWs) bands (ev): -42.5254 -42.4963 -18.8621 -18.8339 -18.7543 -18.7434 -18.7234 -18.6955 9.1674 9.8064 11.4117 11.4320 11.4695 11.8190 11.9190 11.9682 12.1154 12.5246 12.5698 12.6617 14.4784 14.7517 14.9389 14.9432 15.4298 15.7773 15.9706 16.3305 16.3680 16.7908 k = 0.2143-0.2997 0.0658 ( 1322 PWs) bands (ev): -42.5246 -42.4969 -18.8713 -18.8454 -18.7447 -18.7341 -18.7226 -18.6960 9.2265 9.8582 11.3771 11.4652 11.4896 11.8005 11.9127 11.9874 12.1613 12.4839 12.5909 12.6697 14.3341 14.6537 14.9531 14.9713 15.4439 15.7637 15.9180 16.3568 16.4432 16.8308 k = 0.2143-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5224 -42.4989 -18.8906 -18.8692 -18.7247 -18.7211 -18.7149 -18.6980 9.3974 10.0042 11.2751 11.5151 11.5528 11.7566 11.9175 12.0429 12.2567 12.4448 12.6378 12.6695 13.9939 14.4430 14.9578 14.9620 15.4081 15.7843 15.9509 16.4336 16.5496 16.8851 k = 0.2143-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5191 -42.5020 -18.9084 -18.8927 -18.7177 -18.7078 -18.6978 -18.6975 9.6607 10.2128 11.1010 11.4166 11.6896 11.7850 11.9433 12.1352 12.3464 12.4237 12.5840 12.8223 13.5891 14.1280 14.8892 14.9582 15.5076 15.6870 16.2377 16.4890 16.5988 16.8735 k = 0.2143-0.2997 0.2631 ( 1336 PWs) bands (ev): -42.5149 -42.5059 -18.9189 -18.9108 -18.7142 -18.7066 -18.6883 -18.6863 9.9806 10.3928 10.9192 11.2028 11.8584 11.8727 11.9757 12.2415 12.3070 12.3932 12.6469 12.9813 13.2722 13.7634 14.8490 14.9207 15.7538 15.7577 16.3120 16.4009 16.6849 16.8233 k = 0.2143-0.2997-0.3288 ( 1316 PWs) bands (ev): -42.5104 -42.5104 -18.9193 -18.9193 -18.7097 -18.7097 -18.6825 -18.6825 10.2894 10.2894 10.9761 10.9761 11.9310 11.9310 12.0917 12.0917 12.3688 12.3688 12.8175 12.8175 13.4274 13.4274 14.8672 14.8672 15.9674 15.9674 16.1688 16.1688 16.7956 16.7956 k = 0.2857 0.0000 0.0000 ( 1360 PWs) bands (ev): -42.5174 -42.4737 -18.8805 -18.8715 -18.8558 -18.8059 -18.6995 -18.6830 8.5466 11.1706 11.3842 11.3884 11.4447 11.8162 11.9371 12.3157 12.4759 12.5728 12.8452 13.2291 13.2784 13.5005 14.7445 15.1700 15.7882 15.8501 16.3142 16.8554 17.3525 19.2876 k = 0.2857 0.0000 0.0658 ( 1347 PWs) bands (ev): -42.5163 -42.4748 -18.8785 -18.8692 -18.8543 -18.8068 -18.7013 -18.6849 8.6217 11.1871 11.4038 11.4143 11.4508 11.8182 11.9526 12.2428 12.4715 12.5487 12.8945 12.9252 13.2932 13.7612 14.7511 15.1613 15.7630 15.8528 16.2989 16.8466 17.1856 19.5044 k = 0.2857 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5131 -42.4778 -18.8731 -18.8628 -18.8507 -18.8100 -18.7078 -18.6918 8.8429 11.2111 11.4515 11.4848 11.4857 11.8061 11.9684 12.1444 12.4081 12.4288 12.5657 12.9290 13.3924 14.0930 14.7712 15.1532 15.6902 15.8806 16.2649 16.7096 16.9171 18.7397 k = 0.2857 0.0000 0.1973 ( 1343 PWs) bands (ev): -42.5082 -42.4825 -18.8656 -18.8554 -18.8446 -18.8151 -18.7168 -18.7023 9.1976 11.1282 11.4842 11.5726 11.5758 11.7488 11.9098 12.1173 12.1994 12.3068 12.4628 12.8021 13.6400 14.3915 14.8083 15.1733 15.5937 15.9755 16.2458 16.3269 16.7871 17.8535 k = 0.2857 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.5020 -42.4885 -18.8567 -18.8504 -18.8366 -18.8214 -18.7228 -18.7136 9.6632 10.7485 11.4894 11.6010 11.6853 11.7226 11.9398 12.1126 12.1664 12.2381 12.3953 12.5727 13.9614 14.4723 14.9773 15.2134 15.5216 15.9186 16.1768 16.2826 16.6370 17.1300 k = 0.2857 0.0000-0.3288 ( 1350 PWs) bands (ev): -42.4952 -42.4952 -18.8513 -18.8513 -18.8290 -18.8290 -18.7218 -18.7218 10.2032 10.2032 11.5349 11.5349 11.7459 11.7459 12.0353 12.0353 12.2423 12.2423 12.3739 12.3739 14.2721 14.2721 15.1989 15.1989 15.5909 15.5909 16.3616 16.3616 16.6351 16.6351 k = 0.2857 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.5168 -42.4743 -18.8777 -18.8679 -18.8549 -18.8067 -18.7016 -18.6862 8.6080 11.1854 11.3559 11.3885 11.4681 11.7958 11.9389 12.2643 12.4501 12.5873 12.7180 13.0877 13.3915 13.7162 14.7658 15.1602 15.7989 15.8188 16.2927 16.8376 17.2755 18.8105 k = 0.2857 0.0599 0.0658 ( 1345 PWs) bands (ev): -42.5157 -42.4753 -18.8801 -18.8620 -18.8536 -18.8077 -18.7063 -18.6853 8.6812 11.1948 11.3725 11.4062 11.4805 11.7898 11.9597 12.1906 12.4636 12.5321 12.7445 13.0606 13.2667 13.8931 14.7712 15.1515 15.7304 15.8640 16.2765 16.8360 17.1098 18.9906 k = 0.2857 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.5126 -42.4783 -18.8805 -18.8530 -18.8495 -18.8107 -18.7162 -18.6868 8.8965 11.2060 11.3926 11.4429 11.5431 11.7757 11.9808 12.0917 12.3833 12.4688 12.6111 13.0078 13.2963 14.1637 14.7862 15.1488 15.6388 15.9090 16.2351 16.7150 16.8677 18.8384 k = 0.2857 0.0599 0.1973 ( 1342 PWs) bands (ev): -42.5078 -42.4829 -18.8763 -18.8480 -18.8430 -18.8155 -18.7238 -18.6932 9.2410 11.1061 11.3935 11.4663 11.6442 11.7710 11.9276 12.1088 12.2770 12.3411 12.4769 12.8418 13.5682 14.4115 14.8184 15.1818 15.5476 15.9930 16.1579 16.4071 16.7791 17.9280 k = 0.2857 0.0599 0.2631 ( 1338 PWs) bands (ev): -42.5018 -42.4887 -18.8676 -18.8494 -18.8360 -18.8215 -18.7232 -18.7036 9.6916 10.7305 11.4002 11.4521 11.7540 11.8055 11.9912 12.1341 12.2009 12.2457 12.4189 12.6082 13.9055 14.4429 14.9960 15.2317 15.4888 15.8719 16.1968 16.3421 16.6512 17.1754 k = 0.2857 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4952 -42.4952 -18.8574 -18.8574 -18.8285 -18.8285 -18.7152 -18.7152 10.2106 10.2106 11.4227 11.4227 11.8282 11.8282 12.0626 12.0626 12.2446 12.2446 12.4176 12.4176 14.2259 14.2259 15.2177 15.2177 15.5659 15.5659 16.4074 16.4074 16.6514 16.6514 k = 0.2857 0.1199 0.0000 ( 1338 PWs) bands (ev): -42.5151 -42.4759 -18.8705 -18.8577 -18.8521 -18.8087 -18.7084 -18.6968 8.7884 11.2280 11.2651 11.3780 11.5208 11.7061 11.9421 12.1942 12.3472 12.5734 12.5864 12.8794 13.6678 14.0340 14.8229 15.1500 15.7292 15.8382 16.2317 16.7587 17.0913 18.0667 k = 0.2857 0.1199 0.0658 ( 1340 PWs) bands (ev): -42.5141 -42.4769 -18.8784 -18.8511 -18.8492 -18.8097 -18.7177 -18.6891 8.8558 11.2028 11.2789 11.3935 11.5332 11.7056 11.9702 12.1141 12.4301 12.4675 12.6755 12.8853 13.5342 14.1437 14.8249 15.1435 15.6496 15.8943 16.2142 16.7640 16.9435 18.2294 k = 0.2857 0.1199 0.1315 ( 1340 PWs) bands (ev): -42.5113 -42.4796 -18.8861 -18.8481 -18.8412 -18.8124 -18.7270 -18.6824 9.0534 11.1889 11.2222 11.4158 11.5857 11.7340 11.9850 12.0707 12.3562 12.4820 12.6494 13.0475 13.2946 14.3230 14.8249 15.1562 15.5418 15.9512 16.1602 16.6762 16.7780 18.5225 k = 0.2857 0.1199 0.1973 ( 1345 PWs) bands (ev): -42.5068 -42.4838 -18.8881 -18.8472 -18.8401 -18.8169 -18.7257 -18.6824 9.3678 11.0363 11.1978 11.3795 11.6671 11.8015 11.9958 12.1272 12.2799 12.4719 12.4972 13.0150 13.3928 14.4480 14.8596 15.2186 15.4632 15.9783 16.0912 16.4852 16.7507 18.0863 k = 0.2857 0.1199 0.2631 ( 1343 PWs) bands (ev): -42.5013 -42.4892 -18.8830 -18.8583 -18.8351 -18.8222 -18.7145 -18.6890 9.7745 10.6872 11.2171 11.3009 11.7881 11.8847 12.0862 12.1589 12.2620 12.2974 12.4866 12.7582 13.7586 14.3607 15.0672 15.2779 15.4285 15.8047 16.2309 16.4481 16.6737 17.2794 k = 0.2857 0.1199-0.3288 ( 1344 PWs) bands (ev): -42.4952 -42.4952 -18.8723 -18.8723 -18.8286 -18.8286 -18.7006 -18.7006 10.2350 10.2350 11.2476 11.2476 11.9003 11.9003 12.1293 12.1293 12.2567 12.2567 12.5569 12.5569 14.1014 14.1014 15.2758 15.2758 15.5243 15.5243 16.4985 16.4985 16.6903 16.6903 k = 0.2857 0.1798 0.0000 ( 1333 PWs) bands (ev): -42.5129 -42.4781 -18.8607 -18.8488 -18.8430 -18.8118 -18.7179 -18.7124 9.0746 10.9948 11.2922 11.3797 11.5469 11.6574 11.9370 12.1683 12.1920 12.5051 12.5464 12.7471 13.9432 14.3867 14.8995 15.1669 15.5961 15.9231 16.1427 16.5979 16.8866 17.3833 k = 0.2857 0.1798 0.0658 ( 1339 PWs) bands (ev): -42.5120 -42.4790 -18.8717 -18.8479 -18.8366 -18.8125 -18.7293 -18.6982 9.1320 10.9688 11.2784 11.3942 11.5507 11.6807 11.9673 12.0664 12.3432 12.4353 12.6155 12.7304 13.8466 14.4396 14.8948 15.1666 15.5334 15.9626 16.1315 16.5628 16.8027 17.5364 k = 0.2857 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.5095 -42.4813 -18.8858 -18.8460 -18.8377 -18.8148 -18.7293 -18.6843 9.3000 10.9212 11.2056 11.3935 11.5803 11.7450 12.0115 12.0717 12.3400 12.4650 12.6299 12.8438 13.6223 14.5115 14.8835 15.2039 15.4422 15.9766 16.1041 16.5084 16.7287 17.7751 k = 0.2857 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.5055 -42.4851 -18.8943 -18.8555 -18.8389 -18.8182 -18.7164 -18.6768 9.5648 10.8518 11.0827 11.3021 11.6636 11.8313 12.0923 12.1453 12.2896 12.4701 12.5440 13.1619 13.3546 14.4501 14.9730 15.2798 15.4038 15.9080 16.1199 16.4943 16.6994 17.8683 k = 0.2857 0.1798 0.2631 ( 1340 PWs) bands (ev): -42.5006 -42.4898 -18.8949 -18.8731 -18.8340 -18.8229 -18.6994 -18.6775 9.9032 10.6314 11.0340 11.1767 11.7982 11.9320 12.1150 12.2358 12.2806 12.3254 12.6127 13.0335 13.5714 14.2358 15.2139 15.3202 15.3940 15.8225 16.2422 16.5242 16.6688 17.3245 k = 0.2857 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.4952 -42.4952 -18.8875 -18.8875 -18.8284 -18.8284 -18.6855 -18.6855 10.2785 10.2785 11.0811 11.0811 11.9326 11.9326 12.1512 12.1512 12.2980 12.2980 12.7837 12.7837 13.9305 13.9305 15.3360 15.3360 15.5689 15.5689 16.5669 16.5669 16.7059 16.7059 k = 0.2857 0.2398 0.0000 ( 1337 PWs) bands (ev): -42.5108 -42.4802 -18.8518 -18.8456 -18.8273 -18.8149 -18.7293 -18.7275 9.4317 10.5805 11.3614 11.3990 11.5214 11.7142 11.9001 12.0909 12.1543 12.4688 12.5038 12.6675 14.1635 14.7474 14.9665 15.1774 15.4616 16.0455 16.0838 16.4042 16.7315 16.8197 k = 0.2857 0.2398 0.0658 ( 1342 PWs) bands (ev): -42.5100 -42.4809 -18.8623 -18.8452 -18.8300 -18.8160 -18.7330 -18.7112 9.4749 10.5782 11.3232 11.4193 11.5178 11.7263 11.9541 12.0283 12.2736 12.4254 12.5492 12.6514 14.0969 14.7506 14.9637 15.1905 15.4137 16.0547 16.0897 16.3374 16.6761 16.9886 k = 0.2857 0.2398 0.1315 ( 1338 PWs) bands (ev): -42.5078 -42.4830 -18.8800 -18.8487 -18.8397 -18.8171 -18.7204 -18.6925 9.6013 10.5818 11.2167 11.3834 11.5495 11.7757 12.0437 12.0865 12.3344 12.4114 12.5987 12.7089 13.9187 14.6442 15.0089 15.2504 15.3745 15.9245 16.1676 16.3401 16.6581 17.1781 k = 0.2857 0.2398 0.1973 ( 1336 PWs) bands (ev): -42.5043 -42.4863 -18.8941 -18.8686 -18.8373 -18.8196 -18.7016 -18.6785 9.8003 10.5974 11.0433 11.2503 11.6527 11.8619 12.1159 12.2267 12.3003 12.4012 12.6005 12.9934 13.6710 14.3854 15.1597 15.3014 15.4332 15.8238 16.2315 16.4289 16.6435 17.2521 k = 0.2857 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.4999 -42.4904 -18.9006 -18.8869 -18.8328 -18.8234 -18.6849 -18.6721 10.0538 10.5516 10.9048 11.0892 11.8002 11.9646 12.1254 12.2329 12.3089 12.3457 12.7773 13.2423 13.4761 14.0741 15.3007 15.3708 15.4897 15.9624 16.2129 16.5477 16.6304 17.0655 k = 0.2857 0.2398-0.3288 ( 1334 PWs) bands (ev): -42.4952 -42.4952 -18.8981 -18.8981 -18.8280 -18.8280 -18.6745 -18.6745 10.3303 10.3303 10.9511 10.9511 11.9558 11.9558 12.1287 12.1287 12.3403 12.3403 13.0356 13.0356 13.7421 13.7421 15.3347 15.3347 15.8012 15.8012 16.5205 16.5205 16.6604 16.6604 k = 0.2857-0.2997 0.0000 ( 1342 PWs) bands (ev): -42.5100 -42.4810 -18.8479 -18.8444 -18.8189 -18.8172 -18.7377 -18.7315 9.6808 10.3013 11.3959 11.4134 11.5073 11.7460 11.8658 12.0676 12.1457 12.4560 12.4879 12.6373 14.2544 14.9887 14.9934 15.1079 15.4000 16.0049 16.2314 16.3880 16.4429 16.6736 k = 0.2857-0.2997 0.0658 ( 1344 PWs) bands (ev): -42.5092 -42.4817 -18.8569 -18.8439 -18.8298 -18.8174 -18.7287 -18.7218 9.7113 10.3172 11.3440 11.4594 11.4760 11.7466 11.9483 12.0124 12.2484 12.4280 12.5181 12.6255 14.1973 14.9005 15.0735 15.1178 15.3621 16.0452 16.0931 16.4238 16.4563 16.7810 k = 0.2857-0.2997 0.1315 ( 1336 PWs) bands (ev): -42.5071 -42.4837 -18.8745 -18.8544 -18.8396 -18.8182 -18.7094 -18.7024 9.8019 10.3658 11.2238 11.3810 11.5337 11.7913 12.0339 12.1264 12.3230 12.3799 12.5886 12.6639 14.0451 14.6689 15.1613 15.2029 15.3723 15.8623 16.1667 16.4811 16.4886 16.9156 k = 0.2857-0.2997 0.1973 ( 1338 PWs) bands (ev): -42.5038 -42.4868 -18.8912 -18.8766 -18.8368 -18.8202 -18.6905 -18.6849 9.9490 10.4411 11.0320 11.2323 11.6475 11.8773 12.1147 12.2776 12.3256 12.3375 12.6335 12.9135 13.8326 14.3211 15.2709 15.2835 15.5586 15.6761 16.3575 16.4924 16.5211 16.9331 k = 0.2857-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4997 -42.4907 -18.9009 -18.8933 -18.8324 -18.8234 -18.6763 -18.6735 10.1431 10.4869 10.8637 11.0566 11.8000 11.9786 12.1530 12.1797 12.3434 12.3461 12.8861 13.1819 13.6002 13.9526 15.3018 15.3638 15.7145 15.8954 16.3894 16.5157 16.5531 16.7929 k = 0.2857-0.2997-0.3288 ( 1332 PWs) bands (ev): -42.4951 -42.4951 -18.9020 -18.9020 -18.8280 -18.8280 -18.6705 -18.6705 10.3567 10.3567 10.8980 10.8980 11.9679 11.9679 12.1124 12.1124 12.3559 12.3559 13.1779 13.1779 13.6267 13.6267 15.3274 15.3274 16.0546 16.0546 16.3102 16.3102 16.6586 16.6586 k = 0.3571 0.0000 0.0000 ( 1350 PWs) bands (ev): -42.5032 -42.4601 -18.9647 -18.9090 -18.8671 -18.8575 -18.6883 -18.6713 9.3619 11.2805 11.4655 11.5296 11.6600 11.8301 11.8773 12.2442 12.4063 12.6721 12.7633 12.8920 13.2065 13.5548 14.6561 15.1081 15.4611 15.5585 16.8403 17.0757 17.3973 19.5897 k = 0.3571 0.0000 0.0658 ( 1352 PWs) bands (ev): -42.5021 -42.4612 -18.9633 -18.9105 -18.8654 -18.8556 -18.6902 -18.6735 9.4176 11.2795 11.4717 11.5416 11.6670 11.7686 11.9794 12.1968 12.4206 12.6122 12.7102 12.8647 13.1400 13.7389 14.6711 15.0571 15.4301 15.6768 16.8385 17.0543 17.2307 19.7051 k = 0.3571 0.0000 0.1315 ( 1346 PWs) bands (ev): -42.4990 -42.4642 -18.9586 -18.9139 -18.8596 -18.8496 -18.6964 -18.6805 9.5811 11.2826 11.4841 11.5584 11.6851 11.7338 12.0750 12.1398 12.3203 12.4293 12.5965 12.9411 13.1367 14.0479 14.7105 15.0067 15.3525 15.9145 16.7868 16.8905 16.9966 19.4156 k = 0.3571 0.0000 0.1973 ( 1341 PWs) bands (ev): -42.4942 -42.4689 -18.9517 -18.9189 -18.8514 -18.8422 -18.7038 -18.6909 9.8425 11.2591 11.4894 11.4962 11.7092 11.7679 11.8952 12.1269 12.2844 12.4123 12.5331 12.7195 13.4708 14.3534 14.7255 15.0106 15.2917 16.1706 16.3870 16.8299 16.9180 18.3937 k = 0.3571 0.0000 0.2631 ( 1342 PWs) bands (ev): -42.4881 -42.4748 -18.9433 -18.9259 -18.8424 -18.8369 -18.7099 -18.7017 10.1856 10.9987 11.4442 11.4817 11.7345 11.7891 11.8888 12.1524 12.2627 12.2892 12.5387 12.5851 13.8504 14.4812 14.7629 15.0306 15.3471 15.9099 16.5150 16.8024 16.8427 17.5572 k = 0.3571 0.0000-0.3288 ( 1346 PWs) bands (ev): -42.4814 -42.4814 -18.9344 -18.9344 -18.8370 -18.8370 -18.7091 -18.7091 10.5866 10.5866 11.4632 11.4632 11.7574 11.7574 12.0747 12.0747 12.2024 12.2024 12.5596 12.5596 14.2165 14.2165 14.9695 14.9695 15.5471 15.5471 16.7989 16.7989 16.9394 16.9394 k = 0.3571 0.0599 0.0000 ( 1351 PWs) bands (ev): -42.5026 -42.4607 -18.9640 -18.9102 -18.8647 -18.8538 -18.6907 -18.6748 9.4075 11.2849 11.4319 11.5013 11.6291 11.8587 11.8746 12.2384 12.3803 12.5836 12.6888 13.0686 13.1206 13.7222 14.6886 15.0466 15.5294 15.5908 16.8186 17.0477 17.3220 19.2895 k = 0.3571 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.5016 -42.4617 -18.9624 -18.9112 -18.8665 -18.8486 -18.6954 -18.6743 9.4596 11.2572 11.4557 11.5266 11.6362 11.7647 11.9807 12.1393 12.4198 12.6036 12.7130 12.9149 13.1431 13.8470 14.7018 14.9975 15.5586 15.6457 16.8186 16.9938 17.1972 19.4310 k = 0.3571 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.4985 -42.4646 -18.9575 -18.9144 -18.8665 -18.8396 -18.7041 -18.6755 9.6127 11.2254 11.4737 11.5546 11.6500 11.6923 11.9519 12.1630 12.4107 12.5236 12.6260 12.9984 13.0895 14.1057 14.7284 14.9655 15.4732 15.8826 16.7230 16.8241 17.0402 19.4610 k = 0.3571 0.0599 0.1973 ( 1339 PWs) bands (ev): -42.4938 -42.4692 -18.9507 -18.9193 -18.8620 -18.8339 -18.7111 -18.6816 9.8570 11.2050 11.3526 11.4724 11.6881 11.7247 11.9305 12.2248 12.3027 12.5089 12.5659 12.7747 13.4451 14.3861 14.7131 15.0280 15.3823 16.1406 16.3354 16.8043 16.9435 18.4270 k = 0.3571 0.0599 0.2631 ( 1342 PWs) bands (ev): -42.4879 -42.4750 -18.9428 -18.9262 -18.8533 -18.8353 -18.7107 -18.6915 10.1771 10.9431 11.2870 11.4044 11.7661 11.8187 11.9527 12.1678 12.2595 12.4436 12.5808 12.6275 13.8388 14.4760 14.7842 15.0899 15.3875 15.8921 16.4870 16.7875 16.8618 17.5666 k = 0.3571 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4814 -42.4814 -18.9340 -18.9340 -18.8432 -18.8432 -18.7026 -18.7026 10.5511 10.5511 11.3374 11.3374 11.8356 11.8356 12.0440 12.0440 12.3093 12.3093 12.6064 12.6064 14.2102 14.2102 15.0158 15.0158 15.5577 15.5577 16.7970 16.7970 16.9318 16.9318 k = 0.3571 0.1199 0.0000 ( 1349 PWs) bands (ev): -42.5010 -42.4623 -18.9609 -18.9125 -18.8577 -18.8437 -18.6978 -18.6857 9.5407 11.2982 11.3314 11.4568 11.5263 11.8634 11.9027 12.2421 12.2719 12.4640 12.7238 12.8804 13.4185 14.0145 14.7763 14.9874 15.4466 15.8444 16.7508 16.9610 17.1317 18.5593 k = 0.3571 0.1199 0.0658 ( 1345 PWs) bands (ev): -42.5000 -42.4632 -18.9592 -18.9134 -18.8648 -18.8357 -18.7065 -18.6782 9.5823 11.1962 11.3756 11.5121 11.5383 11.7662 11.9462 12.1040 12.4212 12.5690 12.7336 12.8052 13.3891 14.0842 14.7841 14.9451 15.5511 15.8153 16.7544 16.8218 17.1195 18.6704 k = 0.3571 0.1199 0.1315 ( 1339 PWs) bands (ev): -42.4972 -42.4659 -18.9549 -18.9161 -18.8717 -18.8285 -18.7148 -18.6713 9.7048 11.1035 11.3633 11.4680 11.5642 11.6951 11.9686 12.1306 12.4820 12.6195 12.6627 12.9828 13.2719 14.2600 14.7558 14.9772 15.6563 15.8407 16.5306 16.7624 17.0522 18.9049 k = 0.3571 0.1199 0.1973 ( 1341 PWs) bands (ev): -42.4929 -42.4701 -18.9490 -18.9205 -18.8733 -18.8315 -18.7133 -18.6710 9.9016 11.0611 11.1419 11.3501 11.6360 11.7320 12.0912 12.1523 12.3864 12.6123 12.6751 13.0552 13.3930 14.4810 14.7106 15.1177 15.5512 16.0708 16.2158 16.7578 16.9574 18.5078 k = 0.3571 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4874 -42.4755 -18.9416 -18.9265 -18.8680 -18.8434 -18.7025 -18.6769 10.1622 10.8085 11.0782 11.2390 11.7630 11.8163 12.0773 12.1466 12.3430 12.6354 12.7220 12.8509 13.8142 14.4769 14.8709 15.2373 15.4841 15.8537 16.4159 16.7608 16.8673 17.5949 k = 0.3571 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4814 -42.4814 -18.9337 -18.9337 -18.8573 -18.8573 -18.6886 -18.6886 10.4717 10.4717 11.1410 11.1410 11.8768 11.8768 12.0267 12.0267 12.5133 12.5133 12.7643 12.7643 14.2022 14.2022 15.1460 15.1460 15.5891 15.5891 16.7570 16.7570 16.9312 16.9312 k = 0.3571 0.1798 0.0000 ( 1340 PWs) bands (ev): -42.4988 -42.4644 -18.9565 -18.9162 -18.8480 -18.8287 -18.7072 -18.7007 9.7490 11.1557 11.3199 11.3770 11.4155 11.8342 11.9667 12.1453 12.2445 12.4200 12.7280 12.7759 13.7071 14.3409 14.8973 14.9893 15.3247 16.1216 16.6505 16.8102 16.8997 17.8587 k = 0.3571 0.1798 0.0658 ( 1342 PWs) bands (ev): -42.4980 -42.4653 -18.9552 -18.9168 -18.8579 -18.8233 -18.7175 -18.6871 9.7732 11.0589 11.2957 11.3735 11.5143 11.8005 11.9274 12.0766 12.4176 12.5132 12.6871 12.7706 13.7078 14.3787 14.8721 14.9804 15.4134 16.0935 16.5881 16.6646 17.0083 17.9238 k = 0.3571 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.4955 -42.4676 -18.9515 -18.9190 -18.8710 -18.8259 -18.7171 -18.6731 9.8476 10.9298 11.2239 11.3192 11.5531 11.7396 12.0371 12.0809 12.5127 12.6218 12.6963 12.8858 13.6771 14.4816 14.7840 15.0869 15.5685 16.0319 16.3235 16.6787 17.0073 18.0733 k = 0.3571 0.1798 0.1973 ( 1339 PWs) bands (ev): -42.4916 -42.4714 -18.9464 -18.9224 -18.8790 -18.8402 -18.7044 -18.6655 9.9760 10.8387 11.0185 11.2110 11.6104 11.7604 12.0794 12.2681 12.3588 12.6929 12.7889 13.1900 13.6135 14.5930 14.7873 15.2765 15.6206 16.0094 16.1484 16.6862 16.9211 18.1827 k = 0.3571 0.1798 0.2631 ( 1342 PWs) bands (ev): -42.4867 -42.4761 -18.9404 -18.9275 -18.8794 -18.8578 -18.6876 -18.6660 10.1599 10.6571 10.9148 11.0793 11.7362 11.8341 12.0332 12.1592 12.5030 12.7312 12.8982 13.1985 13.8279 14.4886 15.0469 15.4455 15.5729 15.8264 16.3472 16.6965 16.8205 17.5940 k = 0.3571 0.1798-0.3288 ( 1346 PWs) bands (ev): -42.4814 -42.4814 -18.9335 -18.9335 -18.8720 -18.8720 -18.6741 -18.6741 10.3942 10.3942 10.9678 10.9678 11.8719 11.8719 12.0017 12.0017 12.6774 12.6774 13.0296 13.0296 14.2019 14.2019 15.3562 15.3562 15.6397 15.6397 16.6694 16.6694 16.9153 16.9153 k = 0.3571 0.2398 0.0000 ( 1344 PWs) bands (ev): -42.4969 -42.4664 -18.9526 -18.9197 -18.8390 -18.8131 -18.7174 -18.7167 10.0001 10.8844 11.3020 11.3436 11.3787 11.7885 12.0415 12.0775 12.2219 12.3956 12.6595 12.7934 13.9384 14.6536 15.0022 15.0088 15.2049 16.3387 16.6159 16.6269 16.7064 17.3030 k = 0.3571 0.2398 0.0658 ( 1340 PWs) bands (ev): -42.4961 -42.4671 -18.9514 -18.9201 -18.8483 -18.8171 -18.7212 -18.6997 10.0004 10.8262 11.2576 11.2856 11.5003 11.8369 11.9259 12.0358 12.3887 12.4886 12.6268 12.7995 13.9722 14.6899 14.9216 15.0619 15.2610 16.2952 16.4267 16.6172 16.8782 17.3158 k = 0.3571 0.2398 0.1315 ( 1343 PWs) bands (ev): -42.4939 -42.4692 -18.9485 -18.9218 -18.8650 -18.8329 -18.7090 -18.6811 10.0144 10.7253 11.1450 11.2244 11.5456 11.7969 11.9781 12.1341 12.4963 12.6271 12.6791 12.8636 14.0441 14.7086 14.8454 15.2022 15.3901 16.0761 16.3645 16.6140 16.9193 17.3852 k = 0.3571 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.4904 -42.4725 -18.9441 -18.9245 -18.8785 -18.8534 -18.6900 -18.6673 10.0673 10.6478 10.9464 11.1079 11.5967 11.7933 12.0280 12.2532 12.4911 12.7244 12.8776 13.0939 14.0550 14.5954 14.9964 15.4364 15.5239 15.9016 16.3119 16.6242 16.8263 17.4451 k = 0.3571 0.2398 0.2631 ( 1339 PWs) bands (ev): -42.4861 -42.4767 -18.9388 -18.9284 -18.8847 -18.8712 -18.6736 -18.6609 10.1772 10.5363 10.8116 10.9660 11.7192 11.8456 12.0086 12.1056 12.6691 12.7804 13.0765 13.3253 14.0161 14.4553 15.3022 15.5862 15.6770 15.8439 16.3519 16.5970 16.7182 17.2854 k = 0.3571 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.4814 -42.4814 -18.9332 -18.9332 -18.8821 -18.8821 -18.6632 -18.6632 10.3452 10.3452 10.8484 10.8484 11.8678 11.8678 11.9676 11.9676 12.7726 12.7726 13.2754 13.2754 14.2010 14.2010 15.6226 15.6226 15.7224 15.7224 16.5780 16.5780 16.7792 16.7792 k = 0.3571-0.2997 0.0000 ( 1346 PWs) bands (ev): -42.4960 -42.4672 -18.9509 -18.9209 -18.8352 -18.8060 -18.7253 -18.7206 10.1607 10.7082 11.2824 11.3551 11.3638 11.7641 12.0598 12.0847 12.1976 12.3869 12.6356 12.8022 14.0344 14.8296 14.9838 15.0332 15.1619 16.3917 16.4914 16.6285 16.8196 16.9535 k = 0.3571-0.2997 0.0658 ( 1342 PWs) bands (ev): -42.4953 -42.4679 -18.9497 -18.9217 -18.8432 -18.8170 -18.7166 -18.7101 10.1413 10.6749 11.2476 11.2596 11.4940 11.8520 11.9270 12.0153 12.3723 12.4863 12.6076 12.8108 14.0814 14.8849 14.9727 15.0075 15.1984 16.2647 16.4265 16.7569 16.8589 16.9208 k = 0.3571-0.2997 0.1315 ( 1342 PWs) bands (ev): -42.4932 -42.4699 -18.9470 -18.9229 -18.8598 -18.8393 -18.6982 -18.6910 10.1118 10.6118 11.1215 11.1913 11.5429 11.8414 11.9253 12.1575 12.5201 12.5710 12.6866 12.8700 14.2088 14.7457 15.0729 15.0794 15.3408 16.0073 16.5081 16.6781 16.8295 17.0266 k = 0.3571-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4899 -42.4730 -18.9430 -18.9253 -18.8754 -18.8613 -18.6792 -18.6734 10.1196 10.5622 10.9217 11.0704 11.5922 11.8106 12.0059 12.2259 12.6045 12.6946 12.9176 13.0374 14.3562 14.4731 15.1945 15.3266 15.5749 15.8321 16.5635 16.5738 16.7124 17.0750 k = 0.3571-0.2997 0.2631 ( 1340 PWs) bands (ev): -42.4859 -42.4769 -18.9383 -18.9288 -18.8851 -18.8778 -18.6654 -18.6621 10.1919 10.4861 10.7763 10.9250 11.7131 11.8506 12.0061 12.0742 12.7529 12.7752 13.2268 13.2454 14.2342 14.3471 15.4890 15.5487 15.7589 15.8855 16.4853 16.4928 16.6606 16.9335 k = 0.3571-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4814 -42.4814 -18.9333 -18.9333 -18.8858 -18.8858 -18.6593 -18.6593 10.3293 10.3293 10.8054 10.8054 11.8687 11.8687 11.9506 11.9506 12.8043 12.8043 13.3747 13.3747 14.1977 14.1977 15.6911 15.6911 15.8963 15.8963 16.5165 16.5165 16.6230 16.6230 k = 0.4286 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.4933 -42.4507 -19.0390 -18.9803 -18.8587 -18.8485 -18.6808 -18.6630 10.1677 11.3471 11.3977 11.5605 11.6046 11.8284 11.9752 12.1680 12.3644 12.6950 12.7139 13.0048 13.1891 13.5253 14.5837 14.7990 15.2354 15.3822 16.8244 17.4269 17.7291 19.2867 k = 0.4286 0.0000 0.0658 ( 1346 PWs) bands (ev): -42.4923 -42.4517 -19.0377 -18.9812 -18.8558 -18.8460 -18.6824 -18.6655 10.1924 11.3121 11.3848 11.5719 11.5965 11.8244 12.0578 12.1419 12.4227 12.5515 12.7911 12.9858 13.1034 13.6503 14.6229 14.7361 15.1930 15.5680 16.8235 17.2679 17.7041 19.3229 k = 0.4286 0.0000 0.1315 ( 1343 PWs) bands (ev): -42.4892 -42.4547 -19.0326 -18.9844 -18.8501 -18.8403 -18.6881 -18.6725 10.2676 11.2502 11.3528 11.5592 11.6087 11.8331 12.1131 12.1713 12.2779 12.5641 12.8500 12.9619 13.0762 13.8768 14.6569 14.7130 15.0867 15.9703 16.8263 16.8821 17.6231 19.3835 k = 0.4286 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.4844 -42.4594 -19.0248 -18.9897 -18.8415 -18.8331 -18.6951 -18.6826 10.3963 11.1999 11.3152 11.4322 11.6737 11.8278 12.0846 12.1099 12.2290 12.5514 12.7935 13.0041 13.4000 14.1116 14.6111 14.7093 15.0485 16.3756 16.4821 16.8594 17.4805 19.1091 k = 0.4286 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.4785 -42.4653 -19.0157 -18.9971 -18.8327 -18.8279 -18.7010 -18.6931 10.5818 11.0826 11.2689 11.2808 11.7667 11.8823 12.0138 12.1178 12.1918 12.3043 12.9640 13.0729 13.7756 14.3343 14.4857 14.5792 15.2132 15.9217 16.8477 17.0708 17.2751 18.2582 k = 0.4286 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4719 -42.4719 -19.0063 -19.0063 -18.8277 -18.8277 -18.7003 -18.7003 10.8221 10.8221 11.2564 11.2564 11.8757 11.8757 12.0505 12.0505 12.1782 12.1782 13.0698 13.0698 14.1464 14.1464 14.5112 14.5112 15.5075 15.5075 17.0447 17.0447 17.5997 17.5997 k = 0.4286 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.4928 -42.4513 -19.0383 -18.9810 -18.8557 -18.8441 -18.6831 -18.6668 10.1871 11.3433 11.3566 11.5241 11.5463 11.8201 12.0404 12.1882 12.3499 12.4770 12.9800 13.0299 13.0846 13.6534 14.6250 14.7259 15.3553 15.4289 16.8101 17.3556 17.6686 19.2437 k = 0.4286 0.0599 0.0658 ( 1351 PWs) bands (ev): -42.4917 -42.4523 -19.0367 -18.9821 -18.8571 -18.8393 -18.6875 -18.6666 10.2052 11.2457 11.4019 11.5474 11.5554 11.8276 12.0226 12.0940 12.4462 12.6074 12.8122 13.0306 13.1066 13.7330 14.6514 14.6804 15.3823 15.5326 16.8080 17.1793 17.6832 19.2776 k = 0.4286 0.0599 0.1315 ( 1343 PWs) bands (ev): -42.4887 -42.4552 -19.0317 -18.9851 -18.8568 -18.8306 -18.6960 -18.6679 10.2626 11.1571 11.3777 11.5593 11.5881 11.7712 11.9119 12.1607 12.5142 12.6470 12.8890 12.9962 13.0783 13.9233 14.5786 14.7790 15.2591 15.9232 16.7874 16.8262 17.6405 19.3324 k = 0.4286 0.0599 0.1973 ( 1340 PWs) bands (ev): -42.4841 -42.4597 -19.0241 -18.9902 -18.8521 -18.8250 -18.7024 -18.6736 10.3673 11.1130 11.2799 11.4030 11.6567 11.7133 11.9920 12.1771 12.3681 12.6808 12.8711 13.0670 13.3957 14.1457 14.5192 14.8629 15.1387 16.3328 16.4288 16.8362 17.5128 19.0582 k = 0.4286 0.0599 0.2631 ( 1337 PWs) bands (ev): -42.4783 -42.4655 -19.0153 -18.9973 -18.8434 -18.8260 -18.7018 -18.6831 10.5285 11.0193 11.1338 11.2571 11.7595 11.8218 12.0013 12.1236 12.2789 12.4778 13.0517 13.1487 13.7946 14.3656 14.4398 14.7325 15.2499 15.9095 16.8299 17.0155 17.3066 18.1960 k = 0.4286 0.0599-0.3288 ( 1342 PWs) bands (ev): -42.4719 -42.4719 -19.0058 -19.0058 -18.8337 -18.8337 -18.6943 -18.6943 10.7506 10.7506 11.1771 11.1771 11.8832 11.8832 11.9865 11.9865 12.3376 12.3376 13.1543 13.1543 14.1673 14.1673 14.5773 14.5773 15.5212 15.5212 17.0524 17.0524 17.5369 17.5369 k = 0.4286 0.1199 0.0000 ( 1356 PWs) bands (ev): -42.4912 -42.4528 -19.0353 -18.9837 -18.8488 -18.8343 -18.6902 -18.6778 10.2435 11.2590 11.3339 11.4048 11.4513 11.7936 12.1822 12.2281 12.2541 12.3770 12.8865 13.1419 13.2742 13.8813 14.6416 14.7373 15.2780 15.8405 16.7698 17.1647 17.4827 19.0403 k = 0.4286 0.1199 0.0658 ( 1350 PWs) bands (ev): -42.4903 -42.4537 -19.0336 -18.9845 -18.8553 -18.8265 -18.6986 -18.6706 10.2430 11.1460 11.3343 11.4155 11.5490 11.8352 11.9163 12.1144 12.5270 12.5860 12.7651 13.1323 13.3145 13.9192 14.5907 14.7812 15.4285 15.7884 16.7579 16.9769 17.5790 19.0590 k = 0.4286 0.1199 0.1315 ( 1345 PWs) bands (ev): -42.4875 -42.4564 -19.0290 -18.9871 -18.8618 -18.8196 -18.7066 -18.6639 10.2538 11.0196 11.3015 11.4233 11.5693 11.6595 11.9778 12.0942 12.5500 12.8047 12.9422 13.1410 13.2820 14.0496 14.5190 14.9018 15.6254 15.7962 16.5948 16.7929 17.6338 19.0923 k = 0.4286 0.1199 0.1973 ( 1344 PWs) bands (ev): -42.4832 -42.4606 -19.0223 -18.9919 -18.8629 -18.8222 -18.7047 -18.6633 10.3015 10.9546 11.1344 11.2580 11.5943 11.6715 12.0869 12.1663 12.3487 12.9805 13.0946 13.2730 13.4225 14.2505 14.4834 15.0497 15.4102 16.2233 16.2737 16.7880 17.5630 18.9172 k = 0.4286 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4778 -42.4659 -19.0140 -18.9981 -18.8577 -18.8337 -18.6938 -18.6689 10.4094 10.8394 10.9615 11.1261 11.7273 11.7597 12.0121 12.1120 12.4008 12.8179 13.2677 13.3494 13.8668 14.4327 14.5174 15.0039 15.3547 15.8793 16.7461 16.8910 17.3670 18.0259 k = 0.4286 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4719 -42.4719 -19.0056 -19.0056 -18.8472 -18.8472 -18.6803 -18.6803 10.5897 10.5897 11.0218 11.0218 11.8621 11.8621 11.9328 11.9328 12.6094 12.6094 13.3610 13.3610 14.2508 14.2508 14.7638 14.7638 15.5626 15.5626 17.0617 17.0617 17.3582 17.3582 k = 0.4286 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4891 -42.4549 -19.0307 -18.9872 -18.8387 -18.8192 -18.6998 -18.6927 10.3297 11.1373 11.2489 11.3238 11.3787 11.7507 12.1447 12.2352 12.3532 12.3634 12.7494 13.2454 13.5586 14.1241 14.5998 14.8938 15.1638 16.3315 16.7243 16.9222 17.1887 18.5919 k = 0.4286 0.1798 0.0658 ( 1352 PWs) bands (ev): -42.4882 -42.4557 -19.0294 -18.9883 -18.8485 -18.8143 -18.7093 -18.6794 10.3022 11.0418 11.2304 11.2466 11.5533 11.8403 11.8760 12.1135 12.4955 12.6661 12.6878 13.2478 13.6296 14.1463 14.5690 14.9352 15.2688 16.2731 16.6468 16.7924 17.3532 18.5582 k = 0.4286 0.1798 0.1315 ( 1349 PWs) bands (ev): -42.4858 -42.4581 -19.0254 -18.9902 -18.8610 -18.8168 -18.7090 -18.6656 10.2523 10.8932 11.1573 11.2115 11.5779 11.7019 12.0028 12.0752 12.4885 12.8420 13.0002 13.2867 13.7337 14.2345 14.5238 15.0598 15.5402 16.1094 16.3858 16.7514 17.5182 18.4697 k = 0.4286 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.4819 -42.4619 -19.0194 -18.9939 -18.8683 -18.8305 -18.6961 -18.6577 10.2357 10.7982 10.9488 11.1109 11.5673 11.6958 12.0088 12.2537 12.3799 13.0386 13.3145 13.4326 13.8127 14.4293 14.5360 15.2407 15.6876 16.0803 16.1307 16.7335 17.5388 18.3650 k = 0.4286 0.1798 0.2631 ( 1338 PWs) bands (ev): -42.4771 -42.4666 -19.0122 -18.9990 -18.8686 -18.8474 -18.6795 -18.6581 10.2892 10.6399 10.8249 10.9835 11.6822 11.7525 11.9548 12.0704 12.6200 13.0239 13.4825 13.5855 14.0716 14.5794 14.7333 15.3127 15.5036 15.8600 16.5384 16.7835 17.3637 17.8057 k = 0.4286 0.1798-0.3288 ( 1342 PWs) bands (ev): -42.4718 -42.4718 -19.0054 -19.0054 -18.8613 -18.8613 -18.6658 -18.6658 10.4271 10.4271 10.8755 10.8755 11.8269 11.8269 11.8884 11.8884 12.8569 12.8569 13.5718 13.5718 14.4396 14.4396 15.0422 15.0422 15.6375 15.6375 17.0050 17.0050 17.1189 17.1189 k = 0.4286 0.2398 0.0000 ( 1355 PWs) bands (ev): -42.4872 -42.4568 -19.0266 -18.9913 -18.8301 -18.8040 -18.7091 -18.7090 10.4278 10.9985 11.1518 11.3171 11.3263 11.7075 12.0872 12.2413 12.3394 12.4953 12.6730 13.3246 13.7857 14.3228 14.5912 15.0158 15.0715 16.5967 16.7076 16.8589 16.9597 18.0966 k = 0.4286 0.2398 0.0658 ( 1349 PWs) bands (ev): -42.4864 -42.4576 -19.0251 -18.9915 -18.8390 -18.8079 -18.7130 -18.6922 10.3699 10.9311 11.1366 11.1561 11.5486 11.8379 11.8672 12.1023 12.4316 12.6336 12.7879 13.3354 13.8997 14.3579 14.5959 15.0245 15.1341 16.4391 16.6504 16.8837 17.0729 18.0371 k = 0.4286 0.2398 0.1315 ( 1348 PWs) bands (ev): -42.4842 -42.4597 -19.0217 -18.9932 -18.8551 -18.8233 -18.7008 -18.6735 10.2616 10.7923 11.0327 11.0999 11.5817 11.7618 11.9185 12.1143 12.5029 12.7250 13.1438 13.3886 14.1514 14.4626 14.5738 15.1364 15.3049 16.1720 16.5977 16.7621 17.2769 17.8658 k = 0.4286 0.2398 0.1973 ( 1338 PWs) bands (ev): -42.4808 -42.4630 -19.0165 -18.9960 -18.8678 -18.8432 -18.6819 -18.6595 10.1927 10.6752 10.8370 11.0055 11.5559 11.7268 11.9390 12.1791 12.5952 12.9475 13.4664 13.5052 14.3282 14.6293 14.6708 15.3864 15.5157 15.9743 16.3921 16.7061 17.3694 17.6333 k = 0.4286 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.4765 -42.4672 -19.0105 -18.9997 -18.8737 -18.8605 -18.6653 -18.6530 10.2068 10.5025 10.7361 10.8800 11.6565 11.7505 11.9113 12.0179 12.8335 13.0665 13.5990 13.7078 14.4005 14.8194 15.0293 15.4696 15.6622 15.9136 16.3706 16.6822 17.1668 17.4234 k = 0.4286 0.2398-0.3288 ( 1338 PWs) bands (ev): -42.4718 -42.4718 -19.0050 -19.0050 -18.8713 -18.8713 -18.6553 -18.6553 10.3152 10.3152 10.7758 10.7758 11.8037 11.8037 11.8505 11.8505 13.0169 13.0169 13.6934 13.6934 14.6842 14.6842 15.3620 15.3620 15.7616 15.7616 16.7636 16.7636 16.9229 16.9229 k = 0.4286-0.2997 0.0000 ( 1354 PWs) bands (ev): -42.4864 -42.4576 -19.0246 -18.9928 -18.8264 -18.7966 -18.7166 -18.7130 10.4814 10.9250 11.1222 11.3073 11.3150 11.6893 12.0705 12.2415 12.3345 12.5424 12.6536 13.3542 13.8792 14.4013 14.5946 14.9775 15.1197 16.6181 16.6399 16.6887 17.2994 17.7502 k = 0.4286-0.2997 0.0658 ( 1348 PWs) bands (ev): -42.4857 -42.4583 -19.0234 -18.9928 -18.8338 -18.8074 -18.7083 -18.7028 10.4055 10.8735 11.1071 11.1268 11.5456 11.8352 11.8662 12.0966 12.4102 12.6153 12.8357 13.3678 14.0123 14.4486 14.6443 14.9290 15.1726 16.3688 16.6557 16.9133 17.2267 17.6931 k = 0.4286-0.2997 0.1315 ( 1348 PWs) bands (ev): -42.4836 -42.4603 -19.0200 -18.9945 -18.8499 -18.8295 -18.6903 -18.6832 10.2687 10.7495 10.9929 11.0612 11.5828 11.8174 11.8528 12.1161 12.5943 12.6076 13.1963 13.4252 14.3237 14.5746 14.8088 14.8303 15.3233 16.1073 16.6919 16.9820 17.1274 17.5279 k = 0.4286-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4803 -42.4634 -19.0153 -18.9969 -18.8647 -18.8512 -18.6714 -18.6654 10.1786 10.6277 10.8029 10.9667 11.5523 11.7442 11.9075 12.1505 12.7799 12.8017 13.5237 13.5249 14.5575 14.7219 14.9776 15.0419 15.5556 15.9217 16.6777 16.7116 17.1821 17.2804 k = 0.4286-0.2997 0.2631 ( 1324 PWs) bands (ev): -42.4763 -42.4674 -19.0097 -19.0001 -18.8737 -18.8666 -18.6574 -18.6538 10.1781 10.4543 10.7056 10.8424 11.6479 11.7510 11.8952 11.9960 12.9784 13.0057 13.6308 13.7407 14.5457 15.0589 15.2109 15.3129 15.8237 15.9095 16.4248 16.6533 16.9891 17.0660 k = 0.4286-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4718 -42.4718 -19.0049 -19.0049 -18.8748 -18.8748 -18.6516 -18.6516 10.2759 10.2759 10.7407 10.7407 11.7968 11.7968 11.8348 11.8348 13.0710 13.0710 13.7290 13.7290 14.7968 14.7968 15.5448 15.5448 15.8617 15.8617 16.6172 16.6172 16.7593 16.7593 k =-0.5000 0.0000 0.0000 ( 1354 PWs) bands (ev): -42.4898 -42.4474 -19.0658 -19.0046 -18.8557 -18.8446 -18.6783 -18.6602 10.6247 11.2622 11.3701 11.5238 11.6279 11.8039 11.9962 12.1189 12.3510 12.6657 12.6678 13.1880 13.2992 13.3905 14.5549 14.6111 15.1514 15.3234 16.8172 17.4376 17.9986 19.2184 k =-0.5000 0.0000 0.0658 ( 1334 PWs) bands (ev): -42.4887 -42.4484 -19.0640 -19.0060 -18.8525 -18.8419 -18.6795 -18.6621 10.6212 11.2486 11.3209 11.5386 11.5975 11.8391 12.0683 12.1049 12.4352 12.5181 12.7561 13.1020 13.2774 13.4987 14.5507 14.6135 15.1009 15.5215 16.8163 17.2822 17.9683 19.2362 k =-0.5000 0.0000 0.1315 ( 1334 PWs) bands (ev): -42.4857 -42.4514 -19.0588 -19.0096 -18.8464 -18.8364 -18.6852 -18.6693 10.6237 11.2179 11.2342 11.5324 11.5841 11.8806 12.0927 12.1766 12.2709 12.6636 12.7963 13.0748 13.2731 13.6849 14.4530 14.7538 14.9548 15.9795 16.8143 16.9005 17.8681 19.2454 k =-0.5000 0.0000 0.1973 ( 1340 PWs) bands (ev): -42.4810 -42.4560 -19.0509 -19.0155 -18.8382 -18.8299 -18.6921 -18.6797 10.6609 11.1697 11.1853 11.3939 11.6627 11.8639 12.0999 12.1684 12.1758 12.5488 12.9795 13.3717 13.3769 13.8534 14.3571 14.7261 14.9364 16.4155 16.5778 16.8432 17.6802 19.2269 k =-0.5000 0.0000 0.2631 ( 1336 PWs) bands (ev): -42.4750 -42.4619 -19.0412 -19.0228 -18.8295 -18.8244 -18.6973 -18.6902 10.7591 11.1402 11.1574 11.1602 11.7751 11.8996 12.0645 12.1009 12.1787 12.3136 13.2984 13.5123 13.7221 13.9938 14.2579 14.4384 15.1662 15.9254 16.9306 17.2793 17.4042 18.9464 k =-0.5000 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4684 -42.4684 -19.0317 -19.0317 -18.8245 -18.8245 -18.6970 -18.6970 10.9293 10.9293 11.1395 11.1395 11.9156 11.9156 12.0151 12.0151 12.2048 12.2048 13.5051 13.5051 14.0386 14.0386 14.1852 14.1852 15.4924 15.4924 17.1194 17.1194 18.0701 18.0701 k =-0.5000 0.0599 0.0000 ( 1354 PWs) bands (ev): -42.4892 -42.4479 -19.0649 -19.0060 -18.8527 -18.8409 -18.6804 -18.6643 10.6188 11.2330 11.3630 11.4892 11.5438 11.7934 12.0822 12.1596 12.3474 12.4368 12.9376 13.0652 13.3584 13.4978 14.5426 14.6000 15.2976 15.3558 16.8047 17.3674 17.9121 19.2070 k =-0.5000 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.4882 -42.4489 -19.0631 -19.0070 -18.8539 -18.8359 -18.6847 -18.6638 10.6052 11.1733 11.3611 11.5171 11.5457 11.8299 12.0072 12.0906 12.4783 12.5902 12.7784 13.1008 13.3408 13.5570 14.4859 14.6568 15.3020 15.4839 16.8019 17.2006 17.9276 19.2100 k =-0.5000 0.0599 0.1315 ( 1346 PWs) bands (ev): -42.4853 -42.4518 -19.0578 -19.0104 -18.8532 -18.8276 -18.6933 -18.6650 10.5843 11.0918 11.3149 11.5424 11.5687 11.7605 11.9225 12.1465 12.5357 12.7589 12.8411 13.0578 13.3498 13.7119 14.3902 14.7982 15.1463 15.9270 16.7749 16.8520 17.8860 19.1995 k =-0.5000 0.0599 0.1973 ( 1344 PWs) bands (ev): -42.4806 -42.4563 -19.0501 -19.0160 -18.8485 -18.8220 -18.6995 -18.6705 10.5961 11.0480 11.2362 11.3558 11.6473 11.6995 12.0317 12.1440 12.3921 12.6767 13.0996 13.3667 13.4720 13.8669 14.2965 14.9020 14.9784 16.3710 16.5137 16.8297 17.7239 19.1624 k =-0.5000 0.0599 0.2631 ( 1334 PWs) bands (ev): -42.4748 -42.4621 -19.0408 -19.0230 -18.8398 -18.8225 -18.6986 -18.6798 10.6734 11.0492 11.0689 11.1550 11.7600 11.8046 12.0422 12.0842 12.2984 12.4934 13.4317 13.6300 13.7465 14.0033 14.2045 14.5912 15.1981 15.9148 16.9188 17.2039 17.4384 18.8286 k =-0.5000 0.0599-0.3288 ( 1348 PWs) bands (ev): -42.4684 -42.4684 -19.0316 -19.0316 -18.8305 -18.8305 -18.6913 -18.6913 10.8318 10.8318 11.0885 11.0885 11.8988 11.8988 11.9592 11.9592 12.3625 12.3625 13.6390 13.6390 14.0253 14.0253 14.2669 14.2669 15.5052 15.5052 17.1255 17.1255 17.9786 17.9786 k =-0.5000 0.1199 0.0000 ( 1346 PWs) bands (ev): -42.4877 -42.4494 -19.0618 -19.0085 -18.8451 -18.8304 -18.6871 -18.6749 10.6050 11.1712 11.3447 11.3668 11.4159 11.7623 12.2221 12.2633 12.2911 12.3381 12.8890 13.2278 13.5096 13.6582 14.4399 14.7223 15.2227 15.8218 16.7714 17.1782 17.6625 19.1799 k =-0.5000 0.1199 0.0658 ( 1354 PWs) bands (ev): -42.4868 -42.4504 -19.0602 -19.0096 -18.8518 -18.8233 -18.6958 -18.6680 10.5663 11.0858 11.3086 11.3808 11.5268 11.8172 11.9232 12.1149 12.5711 12.6257 12.7578 13.2920 13.5054 13.6764 14.3960 14.7794 15.3746 15.7608 16.7566 17.0056 17.7668 19.1488 k =-0.5000 0.1199 0.1315 ( 1350 PWs) bands (ev): -42.4840 -42.4530 -19.0554 -19.0124 -18.8582 -18.8165 -18.7037 -18.6613 10.4936 10.9710 11.2685 11.3943 11.5878 11.5996 11.9966 12.0746 12.5309 12.9553 13.0006 13.2533 13.5496 13.7756 14.3123 14.9211 15.5661 15.7822 16.6054 16.8102 17.8707 19.0624 k =-0.5000 0.1199 0.1973 ( 1338 PWs) bands (ev): -42.4797 -42.4572 -19.0480 -19.0168 -18.8590 -18.8191 -18.7016 -18.6603 10.4559 10.9101 11.1515 11.1797 11.5766 11.6457 12.0694 12.1880 12.3322 13.0422 13.4064 13.4295 13.7193 13.9041 14.2286 15.0956 15.2821 16.2556 16.3298 16.7975 17.8179 18.9403 k =-0.5000 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.4744 -42.4625 -19.0396 -19.0235 -18.8541 -18.8302 -18.6908 -18.6657 10.4948 10.8534 10.9117 11.0661 11.7120 11.7367 11.9879 12.0974 12.4263 12.8511 13.7803 13.8245 13.9358 14.0413 14.1788 14.9062 15.2875 15.8832 16.8824 16.9865 17.5257 18.4971 k =-0.5000 0.1199-0.3288 ( 1348 PWs) bands (ev): -42.4684 -42.4684 -19.0312 -19.0312 -18.8438 -18.8438 -18.6777 -18.6777 10.6276 10.6276 10.9686 10.9686 11.8612 11.8612 11.8929 11.8929 12.6409 12.6409 13.9913 13.9913 14.0126 14.0126 14.4816 14.4816 15.5412 15.5412 17.1332 17.1332 17.7173 17.7173 k =-0.5000 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4856 -42.4515 -19.0572 -19.0125 -18.8358 -18.8155 -18.6970 -18.6894 10.5931 11.1117 11.1827 11.3227 11.3424 11.7176 12.1518 12.2591 12.3269 12.5493 12.7511 13.5083 13.6899 13.8210 14.3417 14.8929 15.1105 16.4232 16.7246 16.9313 17.3042 19.1554 k =-0.5000 0.1798 0.0658 ( 1348 PWs) bands (ev): -42.4848 -42.4523 -19.0558 -19.0131 -18.8450 -18.8107 -18.7065 -18.6764 10.5249 11.0300 11.1810 11.2014 11.5486 11.8147 11.8899 12.1158 12.4954 12.6902 12.8544 13.6034 13.7064 13.8134 14.3265 14.9483 15.2051 16.3525 16.6489 16.8199 17.4647 19.0865 k =-0.5000 0.1798 0.1315 ( 1350 PWs) bands (ev): -42.4823 -42.4547 -19.0515 -19.0155 -18.8575 -18.8136 -18.7059 -18.6628 10.3996 10.8869 11.1285 11.1524 11.5959 11.6660 11.9869 12.0794 12.4659 12.8643 13.3087 13.7157 13.8020 13.8487 14.2732 15.0897 15.4970 16.1533 16.3909 16.7734 17.6871 18.8752 k =-0.5000 0.1798 0.1973 ( 1334 PWs) bands (ev): -42.4785 -42.4585 -19.0450 -19.0188 -18.8645 -18.8268 -18.6931 -18.6549 10.3172 10.8010 10.9078 11.0651 11.5508 11.6701 11.9823 12.2287 12.4034 13.0914 13.7810 13.7975 13.9969 14.0350 14.1938 15.2650 15.6958 16.1067 16.1099 16.7567 17.8424 18.4831 k =-0.5000 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.4737 -42.4632 -19.0378 -19.0241 -18.8647 -18.8438 -18.6767 -18.6553 10.3229 10.6372 10.7877 10.9448 11.6619 11.7221 11.9253 12.0400 12.6531 13.0756 13.9108 14.0897 14.2377 14.3282 14.3319 15.3007 15.4271 15.8401 16.6665 16.8140 17.6327 18.0200 k =-0.5000 0.1798-0.3288 ( 1328 PWs) bands (ev): -42.4684 -42.4684 -19.0305 -19.0305 -18.8574 -18.8574 -18.6624 -18.6624 10.4313 10.4313 10.8413 10.8413 11.8217 11.8217 11.8365 11.8365 12.8960 12.8960 14.0076 14.0076 14.4589 14.4589 14.8040 14.8040 15.5995 15.5995 17.1048 17.1048 17.3315 17.3315 k =-0.5000 0.2398 0.0000 ( 1356 PWs) bands (ev): -42.4837 -42.4534 -19.0529 -19.0165 -18.8267 -18.8005 -18.7064 -18.7059 10.5908 11.0430 11.0714 11.2912 11.3054 11.6778 12.0942 12.2722 12.3182 12.6705 12.7764 13.7320 13.8294 13.9752 14.2369 14.9946 15.0562 16.6923 16.7109 16.9598 17.0862 18.8126 k =-0.5000 0.2398 0.0658 ( 1358 PWs) bands (ev): -42.4830 -42.4541 -19.0516 -19.0173 -18.8360 -18.8046 -18.7101 -18.6892 10.4977 11.0137 11.0314 11.1058 11.5563 11.8181 11.8681 12.1090 12.4401 12.6410 13.0741 13.8235 13.8694 13.9932 14.2778 15.0093 15.1085 16.4806 16.7451 17.0029 17.1271 18.7299 k =-0.5000 0.2398 0.1315 ( 1352 PWs) bands (ev): -42.4808 -42.4563 -19.0478 -19.0188 -18.8515 -18.8200 -18.6979 -18.6706 10.3341 10.8449 10.9555 11.0544 11.6015 11.7304 11.9017 12.1032 12.5012 12.7449 13.5815 13.9012 14.0224 14.0849 14.3606 15.1588 15.2500 16.2152 16.7520 16.7609 17.3451 18.4736 k =-0.5000 0.2398 0.1973 ( 1342 PWs) bands (ev): -42.4774 -42.4596 -19.0422 -19.0216 -18.8639 -18.8397 -18.6793 -18.6567 10.2220 10.7363 10.7434 10.9687 11.5407 11.7011 11.9064 12.1510 12.6225 12.9826 13.9179 14.1356 14.1675 14.3283 14.4202 15.4442 15.5338 15.9783 16.4140 16.7374 17.5081 18.0489 k =-0.5000 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.4731 -42.4637 -19.0360 -19.0251 -18.8697 -18.8568 -18.6628 -18.6501 10.2062 10.4900 10.7066 10.8500 11.6336 11.7165 11.8753 11.9873 12.8683 13.1197 13.9451 14.1010 14.6328 14.7006 14.7183 15.6154 15.6289 15.8018 16.3877 16.7280 17.4599 17.5080 k =-0.5000 0.2398-0.3288 ( 1320 PWs) bands (ev): -42.4684 -42.4684 -19.0300 -19.0300 -18.8670 -18.8670 -18.6520 -18.6520 10.2985 10.2985 10.7504 10.7504 11.7928 11.7928 11.7972 11.7972 13.0630 13.0630 14.0063 14.0063 14.8954 14.8954 15.1685 15.1685 15.6956 15.6956 16.9184 16.9184 16.9632 16.9632 k =-0.5000-0.2997 0.0000 ( 1364 PWs) bands (ev): -42.4829 -42.4542 -19.0514 -19.0185 -18.8229 -18.7932 -18.7136 -18.7106 10.5929 10.9891 11.0573 11.2731 11.2989 11.6620 12.0769 12.2744 12.3150 12.6448 12.8712 13.8234 13.8796 14.0978 14.1324 14.9400 15.1287 16.6177 16.7361 16.7620 17.5535 18.3214 k =-0.5000-0.2997 0.0658 ( 1364 PWs) bands (ev): -42.4822 -42.4549 -19.0494 -19.0192 -18.8310 -18.8046 -18.7053 -18.7001 10.4893 10.9761 11.0307 11.0498 11.5574 11.8227 11.8561 12.1056 12.4231 12.6226 13.1684 13.8832 13.9313 14.1086 14.2676 14.9003 15.1788 16.4022 16.7447 16.9574 17.4542 18.2505 k =-0.5000-0.2997 0.1315 ( 1352 PWs) bands (ev): -42.4801 -42.4569 -19.0460 -19.0201 -18.8461 -18.8260 -18.6875 -18.6805 10.3112 10.8346 10.8957 11.0157 11.6034 11.7737 11.8494 12.0972 12.6093 12.6209 13.6943 13.9240 14.1140 14.1402 14.6925 14.8086 15.3197 16.1453 16.7660 17.1442 17.1672 18.0348 k =-0.5000-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.4769 -42.4600 -19.0410 -19.0224 -18.8606 -18.8472 -18.6682 -18.6621 10.1886 10.6866 10.7160 10.9318 11.5376 11.7189 11.8719 12.1226 12.8098 12.8313 13.9361 14.1648 14.2679 14.4629 14.7645 15.2409 15.5382 15.9192 16.7388 16.7713 17.2182 17.6808 k =-0.5000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4729 -42.4640 -19.0353 -19.0257 -18.8698 -18.8629 -18.6547 -18.6511 10.1655 10.4387 10.6791 10.8149 11.6242 11.7158 11.8556 11.9673 13.0035 13.0659 13.9534 14.1039 14.7811 14.9040 14.9526 15.6402 15.7505 15.7815 16.3947 16.7143 17.1126 17.2173 k =-0.5000-0.2997-0.3288 ( 1320 PWs) bands (ev): -42.4684 -42.4684 -19.0298 -19.0298 -18.8705 -18.8705 -18.6486 -18.6486 10.2521 10.2521 10.7180 10.7180 11.7823 11.7823 11.7830 11.7830 13.1199 13.1199 14.0061 14.0061 15.0772 15.0772 15.3657 15.3657 15.7885 15.7885 16.7035 16.7035 16.8170 16.8170 the Fermi energy is 14.4501 ev ! total energy = -405.20114613 Ry Harris-Foulkes estimate = -405.20114613 Ry estimated scf accuracy < 5.9E-11 Ry The total energy is the sum of the following terms: one-electron contribution = -84.12548598 Ry hartree contribution = 78.44743486 Ry xc contribution = -89.27080088 Ry ewald contribution = -310.24994165 Ry smearing contrib. (-TS) = -0.00235249 Ry convergence has been achieved in 10 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 0.00060910 0.00000000 atom 2 type 2 force = 0.00000000 -0.00018534 0.00000000 atom 3 type 1 force = 0.00000000 -0.00060910 0.00000000 atom 4 type 2 force = 0.00000000 0.00018534 0.00000000 Total force = 0.000900 Total SCF correction = 0.000033 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -20.40 -0.00010231 0.00000000 0.00000000 -15.05 0.00 0.00 0.00000000 -0.00020439 0.00000000 0.00 -30.07 0.00 0.00000000 0.00000000 -0.00010930 0.00 0.00 -16.08 number of scf cycles = 4 number of bfgs steps = 1 energy old = -405.2011461628 Ry energy new = -405.2011461310 Ry CASE: energy _new > energy _old new trust radius = 0.0069450266 bohr new conv_thr = 1.0E-10 Ry ATOMIC_POSITIONS (crystal) Ti 0.000000000 0.030615585 0.000000000 Ni 0.500000000 -0.065591451 0.500000000 Ti 0.000000000 0.469384415 0.500000000 Ni 0.500000000 0.565591451 0.000000000 Writing output data file pwscf.save NEW-OLD atomic charge density approx. for the potential Check: negative/imaginary core charge= -0.000006 0.000000 total cpu time spent up to now is 4806.93 secs per-process dynamical memory: 33.3 Mb Self-consistent Calculation iteration # 1 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-06, avg # of iterations = 3.1 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 5.29E-08, avg # of iterations = 1.7 total cpu time spent up to now is 4938.98 secs total energy = -405.20114238 Ry Harris-Foulkes estimate = -405.20115353 Ry estimated scf accuracy < 0.00002434 Ry iteration # 2 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.53E-08, avg # of iterations = 2.8 total cpu time spent up to now is 5000.54 secs total energy = -405.20114080 Ry Harris-Foulkes estimate = -405.20115556 Ry estimated scf accuracy < 0.00008643 Ry iteration # 3 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.53E-08, avg # of iterations = 2.2 total cpu time spent up to now is 5053.34 secs total energy = -405.20114863 Ry Harris-Foulkes estimate = -405.20114905 Ry estimated scf accuracy < 0.00000267 Ry iteration # 4 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.07E-09, avg # of iterations = 2.5 total cpu time spent up to now is 5108.08 secs total energy = -405.20114888 Ry Harris-Foulkes estimate = -405.20114893 Ry estimated scf accuracy < 0.00000024 Ry iteration # 5 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.43E-10, avg # of iterations = 2.3 total cpu time spent up to now is 5164.68 secs total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 0.00000005 Ry iteration # 6 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.10E-10, avg # of iterations = 2.0 total cpu time spent up to now is 5217.08 secs total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 5.0E-09 Ry iteration # 7 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.15E-11, avg # of iterations = 3.1 total cpu time spent up to now is 5285.40 secs total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 2.2E-09 Ry iteration # 8 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.08E-12, avg # of iterations = 1.0 total cpu time spent up to now is 5333.50 secs total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 7.4E-10 Ry iteration # 9 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.69E-12, avg # of iterations = 3.0 total cpu time spent up to now is 5394.99 secs total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 1.6E-10 Ry iteration # 10 ecut= 36.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.69E-13, avg # of iterations = 2.9 total cpu time spent up to now is 5452.70 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -42.5603 -42.5146 -18.9197 -18.9125 -18.7300 -18.7157 -18.5145 -18.4809 6.8438 10.1867 10.7697 10.7917 10.8033 12.1930 12.3682 12.4124 12.7402 12.8524 13.0032 13.1828 13.9656 14.4902 14.7349 14.7999 15.2879 16.8621 17.0369 17.0614 17.2137 17.2418 k = 0.0000 0.0000 0.0658 ( 1323 PWs) bands (ev): -42.5592 -42.5156 -18.9187 -18.9100 -18.7346 -18.7181 -18.5138 -18.4816 6.9422 10.1687 10.7040 10.8367 10.9571 12.2283 12.3131 12.4017 12.7782 12.8403 12.8666 13.1436 14.1211 14.4236 14.4675 14.9161 15.2290 16.8702 16.9731 17.0863 17.1461 17.2533 k = 0.0000 0.0000 0.1315 ( 1331 PWs) bands (ev): -42.5558 -42.5187 -18.9151 -18.9037 -18.7440 -18.7259 -18.5118 -18.4844 7.2315 10.1174 10.6829 10.9271 11.2217 12.1174 12.3248 12.3904 12.6843 12.8087 12.8606 13.0074 13.9256 14.2493 14.5500 15.0010 15.1075 16.7719 16.8311 16.8897 17.0489 17.2485 k = 0.0000 0.0000 0.1973 ( 1329 PWs) bands (ev): -42.5505 -42.5236 -18.9085 -18.8955 -18.7548 -18.7373 -18.5084 -18.4885 7.6934 9.9658 10.6943 11.0368 11.4896 11.8337 12.4015 12.4478 12.5895 12.7388 12.7785 12.9339 13.6265 14.1347 14.8008 14.9543 15.1057 16.2645 16.6726 16.7802 16.9508 17.2087 k = 0.0000 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5440 -42.5299 -18.9001 -18.8912 -18.7616 -18.7496 -18.5041 -18.4935 8.2915 9.5712 10.7803 11.0693 11.6247 11.6326 12.4379 12.5137 12.5333 12.5357 12.8082 12.9531 13.6440 13.9781 14.9246 14.9821 15.1602 15.6884 16.5476 16.5887 17.0038 17.1451 k = 0.0000 0.0000-0.3288 ( 1328 PWs) bands (ev): -42.5369 -42.5369 -18.8928 -18.8928 -18.7592 -18.7592 -18.4989 -18.4989 8.9587 8.9587 10.9402 10.9402 11.6151 11.6151 12.4874 12.4874 12.5034 12.5034 12.8989 12.8989 13.8075 13.8075 15.0257 15.0257 15.2622 15.2622 16.5089 16.5089 17.0721 17.0721 k = 0.0000 0.0599 0.0000 ( 1321 PWs) bands (ev): -42.5597 -42.5152 -18.9172 -18.9093 -18.7327 -18.7202 -18.5140 -18.4817 6.9234 10.1828 10.7600 10.8274 10.8340 12.2012 12.3324 12.4360 12.7322 12.8627 12.9391 13.1059 13.9016 14.4755 14.7324 14.7955 15.2061 16.8294 17.0219 17.0289 17.1875 17.2582 k = 0.0000 0.0599 0.0658 ( 1330 PWs) bands (ev): -42.5585 -42.5162 -18.9209 -18.9030 -18.7405 -18.7188 -18.5136 -18.4824 7.0212 10.1716 10.7247 10.8561 10.9675 12.2361 12.2768 12.4235 12.7712 12.7924 12.8522 13.1368 13.9086 14.4504 14.5001 14.9118 15.1963 16.8248 16.9328 16.9631 17.1876 17.2705 k = 0.0000 0.0599 0.1315 ( 1327 PWs) bands (ev): -42.5552 -42.5192 -18.9228 -18.8936 -18.7527 -18.7201 -18.5113 -18.4850 7.3086 10.1361 10.7076 10.9445 11.2153 12.0882 12.3312 12.4098 12.6206 12.8144 12.8642 13.0589 13.6918 14.2818 14.4892 14.9642 15.1971 16.6610 16.7399 16.9119 17.0328 17.2530 k = 0.0000 0.0599 0.1973 ( 1327 PWs) bands (ev): -42.5501 -42.5240 -18.9196 -18.8878 -18.7616 -18.7277 -18.5080 -18.4888 7.7673 10.0049 10.7126 11.0497 11.4716 11.8280 12.4174 12.4542 12.5088 12.7894 12.8184 12.9365 13.4830 14.1252 14.6088 14.9299 15.2511 16.2161 16.5843 16.7818 16.9537 17.2179 k = 0.0000 0.0599 0.2631 ( 1326 PWs) bands (ev): -42.5438 -42.5300 -18.9115 -18.8904 -18.7612 -18.7392 -18.5038 -18.4937 8.3611 9.6265 10.7895 11.0729 11.5887 11.6685 12.4474 12.4524 12.5213 12.6061 12.8183 12.9573 13.5546 13.9529 14.7002 14.9154 15.2984 15.7141 16.4715 16.5751 17.0111 17.1566 k = 0.0000 0.0599-0.3288 ( 1320 PWs) bands (ev): -42.5369 -42.5369 -18.8999 -18.8999 -18.7520 -18.7520 -18.4987 -18.4987 9.0226 9.0226 10.9429 10.9429 11.6209 11.6209 12.4921 12.4921 12.4991 12.4991 12.9055 12.9055 13.7577 13.7577 14.8283 14.8283 15.3923 15.3923 16.4624 16.4624 17.0828 17.0828 k = 0.0000 0.1199 0.0000 ( 1335 PWs) bands (ev): -42.5579 -42.5169 -18.9105 -18.8999 -18.7409 -18.7326 -18.5134 -18.4834 7.1577 10.1019 10.7843 10.8971 10.9311 12.2135 12.2241 12.5013 12.7101 12.7594 12.8884 12.9388 13.7974 14.4421 14.6991 14.7840 15.0517 16.5848 16.7440 17.0096 17.0461 17.3549 k = 0.0000 0.1199 0.0658 ( 1325 PWs) bands (ev): -42.5568 -42.5178 -18.9199 -18.8898 -18.7532 -18.7222 -18.5125 -18.4839 7.2535 10.1165 10.7842 10.9153 11.0154 12.1644 12.2577 12.4815 12.6361 12.7557 12.8805 13.0270 13.6730 14.4111 14.5218 14.8568 15.1326 16.5399 16.7269 16.8845 17.1207 17.3054 k = 0.0000 0.1199 0.1315 ( 1324 PWs) bands (ev): -42.5538 -42.5206 -18.9296 -18.8819 -18.7636 -18.7157 -18.5105 -18.4863 7.5351 10.1423 10.7795 10.9901 11.2056 12.0134 12.3490 12.4600 12.4874 12.8237 12.8811 13.0921 13.3418 14.2697 14.3898 14.8324 15.3097 16.3774 16.6044 16.7982 17.0717 17.2501 k = 0.0000 0.1199 0.1973 ( 1321 PWs) bands (ev): -42.5491 -42.5250 -18.9324 -18.8865 -18.7629 -18.7159 -18.5073 -18.4897 7.9839 10.0916 10.7627 11.0750 11.4219 11.8228 12.3740 12.4543 12.4757 12.8182 12.9210 12.9456 13.1770 14.0745 14.3938 14.7509 15.4257 16.0726 16.4347 16.6755 17.0041 17.2243 k = 0.0000 0.1199 0.2631 ( 1313 PWs) bands (ev): -42.5432 -42.5305 -18.9281 -18.9005 -18.7510 -18.7231 -18.5031 -18.4937 8.5637 9.7780 10.8078 11.0705 11.5560 11.7079 12.3458 12.4898 12.5405 12.6382 12.8463 12.9704 13.3456 13.8687 14.4378 14.6577 15.4466 15.7137 16.3325 16.4840 17.0379 17.1732 k = 0.0000 0.1199-0.3288 ( 1316 PWs) bands (ev): -42.5368 -42.5368 -18.9165 -18.9165 -18.7360 -18.7360 -18.4987 -18.4987 9.2057 9.2057 10.9425 10.9425 11.6384 11.6384 12.4507 12.4507 12.5289 12.5289 12.9248 12.9248 13.6182 13.6182 14.5320 14.5320 15.4953 15.4953 16.3484 16.3484 17.1039 17.1039 k = 0.0000 0.1798 0.0000 ( 1325 PWs) bands (ev): -42.5554 -42.5193 -18.9002 -18.8849 -18.7510 -18.7502 -18.5117 -18.4849 7.5306 9.8149 10.8854 10.9742 11.0915 12.0462 12.2560 12.5043 12.5904 12.6795 12.8145 12.9168 13.7291 14.4074 14.6321 14.7685 14.9304 16.0945 16.6334 16.8814 16.9896 17.3691 k = 0.0000 0.1798 0.0658 ( 1321 PWs) bands (ev): -42.5545 -42.5201 -18.9137 -18.8774 -18.7650 -18.7322 -18.5108 -18.4856 7.6230 9.8636 10.8922 10.9987 11.1291 12.0196 12.2876 12.4238 12.5512 12.7453 12.8584 12.9107 13.6054 14.3651 14.4835 14.7475 15.0844 16.0905 16.6168 16.7393 17.0850 17.3198 k = 0.0000 0.1798 0.1315 ( 1321 PWs) bands (ev): -42.5518 -42.5225 -18.9300 -18.8802 -18.7658 -18.7176 -18.5091 -18.4877 7.8943 9.9884 10.8895 11.0568 11.2397 11.9383 12.2879 12.3737 12.5185 12.8361 12.8844 12.9072 13.3386 14.2085 14.3021 14.6403 15.3478 16.0287 16.4708 16.6383 17.1167 17.2363 k = 0.0000 0.1798 0.1973 ( 1325 PWs) bands (ev): -42.5476 -42.5263 -18.9406 -18.8973 -18.7524 -18.7105 -18.5065 -18.4908 8.3253 10.1038 10.8270 11.0995 11.3990 11.8266 12.1945 12.4820 12.5187 12.7957 12.8560 12.9613 13.1287 13.9689 14.2364 14.5020 15.5012 15.8601 16.2848 16.5283 17.0602 17.2163 k = 0.0000 0.1798 0.2631 ( 1314 PWs) bands (ev): -42.5424 -42.5312 -18.9418 -18.9175 -18.7343 -18.7112 -18.5027 -18.4945 8.8779 9.9698 10.7943 11.0526 11.5536 11.7412 12.2177 12.5340 12.5628 12.5745 12.8854 12.9912 13.1879 13.7208 14.2278 14.3691 15.4982 15.6333 16.1853 16.3546 17.0689 17.1794 k = 0.0000 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5368 -42.5368 -18.9340 -18.9340 -18.7199 -18.7199 -18.4986 -18.4986 9.4785 9.4785 10.9158 10.9158 11.6671 11.6671 12.3614 12.3614 12.5635 12.5635 12.9537 12.9537 13.4356 13.4356 14.2696 14.2696 15.4967 15.4967 16.2138 16.2138 17.1215 17.1215 k = 0.0000 0.2398 0.0000 ( 1318 PWs) bands (ev): -42.5532 -42.5215 -18.8910 -18.8693 -18.7683 -18.7598 -18.5100 -18.4866 8.0027 9.3408 11.0031 11.0448 11.2747 11.9298 12.2452 12.2856 12.6507 12.6731 12.7577 12.9335 13.6990 14.3865 14.5642 14.7548 14.8643 15.7019 16.5358 16.7563 16.9734 17.3799 k = 0.0000 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5523 -42.5222 -18.9039 -18.8720 -18.7698 -18.7454 -18.5095 -18.4874 8.0899 9.4114 11.0158 11.0651 11.2916 11.9242 12.1766 12.3153 12.5919 12.7603 12.7735 12.9282 13.6082 14.3330 14.4309 14.6439 15.0571 15.7350 16.5275 16.6133 17.0644 17.3294 k = 0.0000 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5499 -42.5243 -18.9245 -18.8890 -18.7567 -18.7262 -18.5083 -18.4892 8.3449 9.6093 10.9996 11.1308 11.3534 11.8981 12.0384 12.3965 12.5573 12.7589 12.8630 12.9215 13.4227 14.1314 14.2519 14.4471 15.3537 15.7444 16.3692 16.5101 17.1436 17.2218 k = 0.0000 0.2398 0.1973 ( 1325 PWs) bands (ev): -42.5462 -42.5276 -18.9412 -18.9127 -18.7365 -18.7124 -18.5057 -18.4918 8.7462 9.8831 10.8836 11.1764 11.4633 11.8010 11.9969 12.5009 12.5540 12.6460 12.8934 12.9752 13.2548 13.8154 14.1450 14.2822 15.5213 15.6622 16.1722 16.4107 17.1020 17.1998 k = 0.0000 0.2398 0.2631 ( 1329 PWs) bands (ev): -42.5417 -42.5319 -18.9493 -18.9333 -18.7194 -18.7066 -18.5022 -18.4953 9.2511 10.0579 10.7227 11.0693 11.5942 11.7452 12.0726 12.4503 12.5677 12.5795 12.9220 13.0118 13.1899 13.5261 14.0932 14.1593 15.4867 15.5339 16.0730 16.2469 17.0913 17.1769 k = 0.0000 0.2398-0.3288 ( 1328 PWs) bands (ev): -42.5367 -42.5367 -18.9465 -18.9465 -18.7087 -18.7087 -18.4989 -18.4989 9.7704 9.7704 10.8433 10.8433 11.7003 11.7003 12.2368 12.2368 12.5894 12.5894 12.9820 12.9820 13.2940 13.2940 14.0963 14.0963 15.4515 15.4515 16.1060 16.1060 17.1308 17.1308 k = 0.0000-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5522 -42.5224 -18.8872 -18.8616 -18.7782 -18.7637 -18.5096 -18.4876 8.3567 8.9726 11.0461 11.0822 11.3753 11.8934 12.1157 12.2983 12.6384 12.7087 12.7418 12.9369 13.6932 14.3810 14.5342 14.7487 14.8440 15.5472 16.4962 16.7088 16.9674 17.3843 k = 0.0000-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5514 -42.5230 -18.8982 -18.8727 -18.7672 -18.7547 -18.5091 -18.4883 8.4376 9.0541 11.0777 11.0838 11.3884 11.8956 12.0467 12.3272 12.5988 12.7513 12.7779 12.9314 13.6173 14.3227 14.4068 14.5978 15.0484 15.5994 16.4916 16.5654 17.0573 17.3334 k = 0.0000-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5492 -42.5250 -18.9193 -18.8968 -18.7456 -18.7365 -18.5079 -18.4900 8.6732 9.2875 11.0478 11.1601 11.4501 11.8781 11.9060 12.4061 12.5685 12.7271 12.8856 12.9184 13.4669 14.0904 14.2463 14.3517 15.3557 15.6341 16.3309 16.4615 17.1530 17.2156 k = 0.0000-0.2997 0.1973 ( 1324 PWs) bands (ev): -42.5457 -42.5281 -18.9385 -18.9215 -18.7248 -18.7191 -18.5048 -18.4923 9.0399 9.6354 10.9095 11.2300 11.5758 11.6902 11.9342 12.5084 12.5659 12.6023 12.9117 12.9792 13.3409 13.7080 14.1207 14.1929 15.5395 15.5682 16.1306 16.3660 17.1199 17.1901 k = 0.0000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.5414 -42.5321 -18.9501 -18.9409 -18.7105 -18.7078 -18.5022 -18.4951 9.4900 9.9827 10.7012 11.0947 11.6512 11.7024 12.0052 12.3950 12.5820 12.5833 12.9376 13.0204 13.2558 13.3898 14.0493 14.0847 15.4631 15.5030 16.0310 16.2055 17.1004 17.1755 k = 0.0000-0.2997-0.3288 ( 1324 PWs) bands (ev): -42.5367 -42.5367 -18.9507 -18.9507 -18.7045 -18.7045 -18.4988 -18.4988 9.9181 9.9181 10.7846 10.7846 11.7175 11.7175 12.1710 12.1710 12.5987 12.5987 12.9941 12.9941 13.2453 13.2453 14.0361 14.0361 15.4286 15.4286 16.0655 16.0655 17.1346 17.1346 k = 0.0714 0.0000 0.0000 ( 1328 PWs) bands (ev): -42.5569 -42.5112 -18.9166 -18.9094 -18.7274 -18.7130 -18.5431 -18.5084 6.9590 10.2774 10.8229 10.8331 10.8592 12.1683 12.3556 12.3726 12.7162 12.8148 12.9947 13.2185 13.8796 14.5554 14.6976 14.8258 15.0715 16.8597 16.9734 17.0808 17.2903 17.3867 k = 0.0714 0.0000 0.0658 ( 1339 PWs) bands (ev): -42.5557 -42.5123 -18.9158 -18.9071 -18.7318 -18.7159 -18.5420 -18.5094 7.0562 10.2585 10.7601 10.8932 10.9956 12.1969 12.3035 12.3566 12.7451 12.8031 12.8707 13.1718 14.0375 14.3770 14.5347 14.9372 15.0933 16.7551 17.0258 17.0415 17.1155 17.3295 k = 0.0714 0.0000 0.1315 ( 1336 PWs) bands (ev): -42.5523 -42.5154 -18.9116 -18.9003 -18.7410 -18.7233 -18.5397 -18.5121 7.3423 10.2069 10.7456 10.9856 11.2543 12.1002 12.2715 12.3570 12.6668 12.7738 12.8468 12.9964 13.9325 14.2378 14.5559 15.0214 15.0759 16.5394 16.8689 16.8962 16.9993 17.1918 k = 0.0714 0.0000 0.1973 ( 1335 PWs) bands (ev): -42.5471 -42.5203 -18.9050 -18.8925 -18.7518 -18.7343 -18.5361 -18.5161 7.7993 10.0573 10.7595 11.1003 11.5228 11.8227 12.3600 12.3675 12.5736 12.6673 12.7583 12.9063 13.7137 14.1805 14.7621 15.0218 15.0946 16.1590 16.6889 16.7261 16.8509 17.0878 k = 0.0714 0.0000 0.2631 ( 1325 PWs) bands (ev): -42.5406 -42.5265 -18.8965 -18.8876 -18.7580 -18.7464 -18.5313 -18.5205 8.3919 9.6648 10.8437 11.1368 11.6330 11.6579 12.3782 12.3948 12.5061 12.5327 12.7636 12.9109 13.7350 14.0297 14.9502 15.0299 15.1496 15.7070 16.5264 16.5496 16.8341 16.9886 k = 0.0714 0.0000-0.3288 ( 1324 PWs) bands (ev): -42.5335 -42.5335 -18.8893 -18.8893 -18.7559 -18.7559 -18.5262 -18.5262 9.0545 9.0545 11.0028 11.0028 11.6355 11.6355 12.3773 12.3773 12.5232 12.5232 12.8411 12.8411 13.8674 13.8674 15.0461 15.0461 15.3206 15.3206 16.4696 16.4696 16.8955 16.8955 k = 0.0714 0.0599 0.0000 ( 1330 PWs) bands (ev): -42.5562 -42.5119 -18.9141 -18.9061 -18.7304 -18.7174 -18.5424 -18.5088 7.0377 10.2738 10.8253 10.8571 10.8889 12.1760 12.3297 12.3724 12.7062 12.8266 12.9294 13.1270 13.8568 14.5436 14.7003 14.8222 15.0409 16.7810 16.9042 16.9849 17.2687 17.2719 k = 0.0714 0.0599 0.0658 ( 1331 PWs) bands (ev): -42.5551 -42.5129 -18.9177 -18.8996 -18.7374 -18.7158 -18.5416 -18.5098 7.1343 10.2614 10.7840 10.9126 11.0024 12.1992 12.2710 12.3682 12.7362 12.7899 12.8173 13.1656 13.8590 14.4632 14.5216 14.9404 15.0682 16.7184 16.8335 17.0255 17.1107 17.3333 k = 0.0714 0.0599 0.1315 ( 1333 PWs) bands (ev): -42.5518 -42.5159 -18.9195 -18.8902 -18.7496 -18.7176 -18.5393 -18.5123 7.4184 10.2244 10.7719 11.0041 11.2444 12.0656 12.2833 12.3678 12.6109 12.7746 12.8220 13.0795 13.6877 14.2980 14.5169 15.0062 15.1132 16.5069 16.7083 16.8741 17.1324 17.1395 k = 0.0714 0.0599 0.1973 ( 1337 PWs) bands (ev): -42.5467 -42.5206 -18.9162 -18.8847 -18.7586 -18.7250 -18.5359 -18.5165 7.8720 10.0942 10.7790 11.1144 11.4985 11.8163 12.3663 12.3679 12.5004 12.7259 12.7734 12.9336 13.5653 14.1755 14.6193 14.9833 15.1972 16.1430 16.5367 16.8186 16.8476 17.1053 k = 0.0714 0.0599 0.2631 ( 1329 PWs) bands (ev): -42.5404 -42.5267 -18.9079 -18.8872 -18.7580 -18.7364 -18.5314 -18.5208 8.4599 9.7176 10.8531 11.1399 11.6003 11.6864 12.3488 12.4047 12.4812 12.5836 12.7737 12.9155 13.6424 14.0056 14.7402 14.9530 15.2793 15.7364 16.4150 16.5869 16.8507 17.0240 k = 0.0714 0.0599-0.3288 ( 1322 PWs) bands (ev): -42.5335 -42.5335 -18.8966 -18.8966 -18.7488 -18.7488 -18.5260 -18.5260 9.1163 9.1163 11.0048 11.0048 11.6403 11.6403 12.3735 12.3735 12.5274 12.5274 12.8479 12.8479 13.8154 13.8154 14.8693 14.8693 15.4274 15.4274 16.4285 16.4285 16.9294 16.9294 k = 0.0714 0.1199 0.0000 ( 1327 PWs) bands (ev): -42.5544 -42.5136 -18.9070 -18.8965 -18.7378 -18.7295 -18.5409 -18.5102 7.2694 10.1947 10.8515 10.9514 10.9572 12.1959 12.1974 12.4148 12.6657 12.7637 12.8522 12.9417 13.8338 14.5149 14.7076 14.7917 14.9748 16.4938 16.7990 16.8199 17.0647 17.2622 k = 0.0714 0.1199 0.0658 ( 1329 PWs) bands (ev): -42.5534 -42.5145 -18.9168 -18.8865 -18.7499 -18.7198 -18.5404 -18.5111 7.3639 10.2075 10.8508 10.9707 11.0410 12.1328 12.2371 12.4053 12.6257 12.7147 12.8437 13.0387 13.7055 14.4832 14.5237 14.8730 15.0597 16.4502 16.7153 16.8485 17.0317 17.2686 k = 0.0714 0.1199 0.1315 ( 1327 PWs) bands (ev): -42.5503 -42.5173 -18.9262 -18.8787 -18.7606 -18.7130 -18.5383 -18.5133 7.6418 10.2289 10.8491 11.0514 11.2233 11.9856 12.3058 12.3907 12.4854 12.7630 12.8288 13.1376 13.3662 14.3067 14.4444 14.8652 15.2249 16.3159 16.5314 16.8418 17.0104 17.2062 k = 0.0714 0.1199 0.1973 ( 1329 PWs) bands (ev): -42.5456 -42.5216 -18.9293 -18.8831 -18.7597 -18.7133 -18.5349 -18.5172 8.0849 10.1748 10.8341 11.1411 11.4320 11.8124 12.3043 12.3855 12.4581 12.7612 12.8096 13.0101 13.2547 14.1292 14.4425 14.7983 15.3417 16.0554 16.3700 16.7662 16.9086 17.1322 k = 0.0714 0.1199 0.2631 ( 1326 PWs) bands (ev): -42.5398 -42.5272 -18.9245 -18.8973 -18.7482 -18.7207 -18.5310 -18.5213 8.6578 9.8622 10.8735 11.1335 11.5639 11.7213 12.2746 12.4120 12.4905 12.6387 12.8000 12.9205 13.4257 13.9207 14.4953 14.7064 15.4059 15.7440 16.2912 16.5350 16.9141 17.0773 k = 0.0714 0.1199-0.3288 ( 1318 PWs) bands (ev): -42.5334 -42.5334 -18.9128 -18.9128 -18.7331 -18.7331 -18.5260 -18.5260 9.2935 9.2935 11.0025 11.0025 11.6553 11.6553 12.3508 12.3508 12.5415 12.5415 12.8639 12.8639 13.6710 13.6710 14.5926 14.5926 15.5143 15.5143 16.3446 16.3446 16.9933 16.9933 k = 0.0714 0.1798 0.0000 ( 1328 PWs) bands (ev): -42.5520 -42.5159 -18.8973 -18.8816 -18.7480 -18.7471 -18.5395 -18.5123 7.6384 9.9105 10.9515 11.0298 11.1115 12.0202 12.2265 12.4640 12.4738 12.6716 12.8060 12.8791 13.8460 14.4840 14.7161 14.7296 14.9111 16.0826 16.6357 16.7687 16.8611 17.2597 k = 0.0714 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5511 -42.5168 -18.9102 -18.8743 -18.7623 -18.7293 -18.5387 -18.5130 7.7293 9.9571 10.9604 11.0561 11.1448 11.9902 12.2574 12.4091 12.4486 12.6879 12.8496 12.8804 13.7233 14.4412 14.5219 14.7510 15.0692 16.0716 16.6082 16.6548 16.9504 17.2369 k = 0.0714 0.1798 0.1315 ( 1332 PWs) bands (ev): -42.5484 -42.5192 -18.9266 -18.8771 -18.7630 -18.7152 -18.5370 -18.5150 7.9963 10.0753 10.9629 11.1164 11.2472 11.9131 12.2446 12.3556 12.4411 12.7436 12.8433 12.9169 13.4499 14.2498 14.3776 14.6779 15.2981 16.0150 16.3976 16.6746 16.9833 17.1854 k = 0.0714 0.1798 0.1973 ( 1329 PWs) bands (ev): -42.5442 -42.5230 -18.9369 -18.8938 -18.7494 -18.7080 -18.5339 -18.5181 8.4205 10.1811 10.9042 11.1574 11.4024 11.8186 12.1419 12.4112 12.4755 12.7578 12.8376 12.8914 13.2295 14.0202 14.3133 14.5625 15.4206 15.8794 16.2478 16.6160 16.9614 17.1338 k = 0.0714 0.1798 0.2631 ( 1325 PWs) bands (ev): -42.5390 -42.5279 -18.9383 -18.9140 -18.7318 -18.7085 -18.5303 -18.5220 8.9647 10.0429 10.8644 11.1066 11.5617 11.7495 12.1635 12.4045 12.5179 12.6526 12.8307 12.8900 13.2675 13.7686 14.3067 14.4438 15.4549 15.6807 16.1895 16.4227 16.9807 17.1031 k = 0.0714 0.1798-0.3288 ( 1320 PWs) bands (ev): -42.5334 -42.5334 -18.9300 -18.9300 -18.7170 -18.7170 -18.5261 -18.5261 9.5571 9.5571 10.9739 10.9739 11.6809 11.6809 12.2892 12.2892 12.5621 12.5621 12.8748 12.8748 13.4857 13.4857 14.3529 14.3529 15.5231 15.5231 16.2434 16.2434 17.0462 17.0462 k = 0.0714 0.2398 0.0000 ( 1331 PWs) bands (ev): -42.5498 -42.5181 -18.8883 -18.8659 -18.7656 -18.7574 -18.5378 -18.5142 8.1052 9.4391 11.0643 11.1065 11.2873 11.9044 12.2178 12.2628 12.4989 12.6374 12.7491 12.8857 13.8856 14.4650 14.6651 14.7230 14.8690 15.7367 16.5109 16.7117 16.7421 17.2587 k = 0.0714 0.2398 0.0658 ( 1331 PWs) bands (ev): -42.5489 -42.5188 -18.9006 -18.8688 -18.7669 -18.7428 -18.5373 -18.5147 8.1908 9.5073 11.0814 11.1255 11.3011 11.8980 12.1569 12.2906 12.4772 12.6654 12.7730 12.8812 13.7977 14.4044 14.5005 14.6434 15.0728 15.7635 16.4994 16.5140 16.9036 17.2260 k = 0.0714 0.2398 0.1315 ( 1327 PWs) bands (ev): -42.5465 -42.5209 -18.9210 -18.8857 -18.7534 -18.7236 -18.5354 -18.5165 8.4408 9.6981 11.0672 11.1945 11.3576 11.8772 12.0127 12.3716 12.4569 12.7157 12.7825 12.8728 13.6084 14.1548 14.3396 14.5026 15.3442 15.7688 16.2863 16.5098 16.9976 17.1539 k = 0.0714 0.2398 0.1973 ( 1326 PWs) bands (ev): -42.5429 -42.5242 -18.9373 -18.9090 -18.7336 -18.7094 -18.5330 -18.5192 8.8342 9.9602 10.9489 11.2453 11.4636 11.7917 11.9601 12.4379 12.4888 12.6604 12.8180 12.8632 13.4016 13.8477 14.2378 14.3678 15.4715 15.7034 16.1681 16.4471 17.0126 17.1040 k = 0.0714 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.5383 -42.5285 -18.9452 -18.9298 -18.7166 -18.7035 -18.5299 -18.5226 9.3287 10.1217 10.7889 11.1277 11.5988 11.7501 12.0365 12.3755 12.5403 12.6028 12.8511 12.8625 13.2842 13.5745 14.1896 14.2600 15.4783 15.5944 16.1125 16.2883 17.0310 17.0975 k = 0.0714 0.2398-0.3288 ( 1324 PWs) bands (ev): -42.5333 -42.5333 -18.9423 -18.9423 -18.7056 -18.7056 -18.5261 -18.5261 9.8375 9.8375 10.9021 10.9021 11.7100 11.7100 12.1966 12.1966 12.5776 12.5776 12.8686 12.8686 13.3542 13.3542 14.1993 14.1993 15.5073 15.5073 16.1377 16.1377 17.0747 17.0747 k = 0.0714-0.2997 0.0000 ( 1336 PWs) bands (ev): -42.5488 -42.5190 -18.8846 -18.8581 -18.7746 -18.7613 -18.5374 -18.5152 8.4540 9.0753 11.1031 11.1492 11.3835 11.8693 12.0998 12.2688 12.5104 12.6243 12.7347 12.8845 13.9100 14.4599 14.6364 14.7256 14.8548 15.5991 16.4622 16.6571 16.7337 17.2582 k = 0.0714-0.2997 0.0658 ( 1330 PWs) bands (ev): -42.5480 -42.5197 -18.8946 -18.8693 -18.7641 -18.7520 -18.5366 -18.5155 8.5331 9.1542 11.1361 11.1519 11.3943 11.8708 12.0336 12.2990 12.4858 12.6567 12.7516 12.8812 13.8404 14.3864 14.4940 14.5939 15.0740 15.6447 16.4555 16.4608 16.8899 17.2233 k = 0.0714-0.2997 0.1315 ( 1324 PWs) bands (ev): -42.5458 -42.5217 -18.9154 -18.8930 -18.7424 -18.7334 -18.5349 -18.5170 8.7635 9.3804 11.1124 11.2243 11.4561 11.8627 11.8805 12.3809 12.4614 12.6970 12.7625 12.8743 13.7011 14.0865 14.3364 14.4208 15.3671 15.6694 16.2435 16.4457 17.0036 17.1409 k = 0.0714-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.5423 -42.5248 -18.9347 -18.9179 -18.7221 -18.7164 -18.5330 -18.5193 9.1218 9.7160 10.9678 11.3093 11.5858 11.6608 11.9088 12.4541 12.4881 12.6101 12.8146 12.8704 13.5618 13.6803 14.2150 14.2930 15.5153 15.6067 16.1422 16.3733 17.0510 17.0692 k = 0.0714-0.2997 0.2631 ( 1334 PWs) bands (ev): -42.5380 -42.5288 -18.9462 -18.9371 -18.7077 -18.7050 -18.5297 -18.5228 9.5612 10.0471 10.7616 11.1610 11.6403 11.7148 11.9797 12.3535 12.5503 12.5734 12.8518 12.8684 13.3796 13.4186 14.1509 14.1965 15.5174 15.5261 16.0862 16.2219 17.0568 17.0834 k = 0.0714-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.5333 -42.5333 -18.9469 -18.9469 -18.7022 -18.7022 -18.5263 -18.5263 9.9782 9.9782 10.8456 10.8456 11.7243 11.7243 12.1462 12.1462 12.5825 12.5825 12.8612 12.8612 13.3147 13.3147 14.1467 14.1467 15.5009 15.5009 16.0883 16.0883 17.0821 17.0821 k = 0.1429 0.0000 0.0000 ( 1344 PWs) bands (ev): -42.5471 -42.5019 -18.9080 -18.9005 -18.7204 -18.7058 -18.6216 -18.5829 7.2974 10.5409 10.9103 10.9995 11.0111 12.1024 12.2061 12.3782 12.6520 12.7273 12.9666 13.3029 13.6717 14.2508 14.7386 14.9068 15.1112 16.6580 16.6931 16.8630 17.2745 17.8467 k = 0.1429 0.0000 0.0658 ( 1338 PWs) bands (ev): -42.5460 -42.5030 -18.9063 -18.8978 -18.7239 -18.7084 -18.6205 -18.5836 7.3910 10.5185 10.9042 11.0459 11.1054 12.1172 12.1914 12.3173 12.6648 12.7163 12.8771 13.2133 13.8204 14.1292 14.7236 14.9167 15.1587 16.5248 16.6694 16.8788 17.1275 18.0293 k = 0.1429 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5427 -42.5061 -18.9021 -18.8911 -18.7329 -18.7155 -18.6181 -18.5863 7.6667 10.4658 10.9150 11.1426 11.3367 12.0429 12.1469 12.2739 12.5948 12.6872 12.8481 12.9083 13.9720 14.0615 14.7026 14.9461 15.2265 16.2803 16.5955 16.7318 16.9712 17.5373 k = 0.1429 0.0000 0.1973 ( 1333 PWs) bands (ev): -42.5375 -42.5109 -18.8951 -18.8833 -18.7430 -18.7265 -18.6135 -18.5903 8.1078 10.3218 10.9371 11.2710 11.6051 11.7931 12.1666 12.2775 12.4892 12.5046 12.6837 12.8689 13.9415 14.1696 14.7589 15.0053 15.2653 16.0293 16.4811 16.5388 16.7961 17.1085 k = 0.1429 0.0000 0.2631 ( 1332 PWs) bands (ev): -42.5311 -42.5171 -18.8868 -18.8784 -18.7494 -18.7383 -18.6082 -18.5959 8.6819 9.9329 11.0141 11.3185 11.6367 11.7531 12.1756 12.2503 12.3520 12.4745 12.6602 12.8172 13.9765 14.1135 14.9131 15.1192 15.2795 15.7795 16.3783 16.4254 16.6093 16.7940 k = 0.1429 0.0000-0.3288 ( 1332 PWs) bands (ev): -42.5240 -42.5240 -18.8802 -18.8802 -18.7473 -18.7473 -18.6020 -18.6020 9.3289 9.3289 11.1668 11.1668 11.7004 11.7004 12.1999 12.1999 12.4526 12.4526 12.6973 12.6973 14.0315 14.0315 15.0740 15.0740 15.4843 15.4843 16.3645 16.3645 16.6068 16.6068 k = 0.1429 0.0599 0.0000 ( 1341 PWs) bands (ev): -42.5465 -42.5025 -18.9055 -18.8968 -18.7234 -18.7099 -18.6208 -18.5833 7.3734 10.5379 10.9407 10.9972 11.0366 12.1087 12.2064 12.3187 12.6371 12.7459 12.8951 13.1518 13.7635 14.2988 14.7321 14.9050 15.1042 16.5590 16.6105 16.8642 17.2107 17.6529 k = 0.1429 0.0599 0.0658 ( 1335 PWs) bands (ev): -42.5454 -42.5036 -18.9085 -18.8902 -18.7296 -18.7084 -18.6200 -18.5841 7.4662 10.5212 10.9333 11.0666 11.1024 12.1123 12.1856 12.2818 12.6533 12.7225 12.7913 13.2071 13.7132 14.2447 14.7149 14.9258 15.1418 16.4858 16.5307 16.9003 17.0627 17.8061 k = 0.1429 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5421 -42.5066 -18.9102 -18.8810 -18.7414 -18.7101 -18.6174 -18.5868 7.7394 10.4794 10.9431 11.1642 11.3164 11.9974 12.1672 12.2674 12.5619 12.6719 12.7574 13.0730 13.6612 14.2364 14.6827 14.9776 15.1907 16.2606 16.4405 16.7604 16.9850 17.6136 k = 0.1429 0.0599 0.1973 ( 1335 PWs) bands (ev): -42.5371 -42.5113 -18.9064 -18.8754 -18.7499 -18.7170 -18.6131 -18.5908 8.1763 10.3508 10.9573 11.2888 11.5531 11.7937 12.1780 12.2466 12.4440 12.5663 12.6919 12.9112 13.7363 14.2186 14.6990 15.0693 15.1931 16.0455 16.3029 16.6087 16.8939 17.1366 k = 0.1429 0.0599 0.2631 ( 1332 PWs) bands (ev): -42.5309 -42.5173 -18.8980 -18.8778 -18.7496 -18.7281 -18.6078 -18.5960 8.7445 9.9771 11.0214 11.3152 11.6150 11.7622 12.1724 12.2189 12.3965 12.4845 12.6683 12.8262 13.8519 14.1058 14.8025 15.1127 15.2453 15.8241 16.2241 16.5807 16.6510 16.8213 k = 0.1429 0.0599-0.3288 ( 1332 PWs) bands (ev): -42.5240 -42.5240 -18.8871 -18.8871 -18.7406 -18.7406 -18.6020 -18.6020 9.3836 9.3836 11.1627 11.1627 11.7051 11.7051 12.1958 12.1958 12.4596 12.4596 12.7075 12.7075 13.9717 13.9717 14.9627 14.9627 15.5189 15.5189 16.3592 16.3592 16.6670 16.6670 k = 0.1429 0.1199 0.0000 ( 1329 PWs) bands (ev): -42.5448 -42.5042 -18.8980 -18.8868 -18.7301 -18.7217 -18.6191 -18.5846 7.5969 10.4628 11.0258 11.0293 11.0973 12.1259 12.1310 12.2289 12.5732 12.7398 12.7755 12.9232 13.9108 14.4092 14.7166 14.9013 15.0756 16.3009 16.4952 16.7724 17.1178 17.2700 k = 0.1429 0.1199 0.0658 ( 1333 PWs) bands (ev): -42.5437 -42.5052 -18.9074 -18.8773 -18.7419 -18.7124 -18.6184 -18.5855 7.6872 10.4700 11.0176 11.1011 11.1333 12.0452 12.1703 12.2380 12.5756 12.6377 12.7707 13.0305 13.7491 14.3798 14.6940 14.9239 15.1120 16.2595 16.4059 16.8404 16.9475 17.4347 k = 0.1429 0.1199 0.1315 ( 1338 PWs) bands (ev): -42.5407 -42.5079 -18.9165 -18.8698 -18.7524 -18.7057 -18.6160 -18.5881 7.9529 10.4773 11.0286 11.2155 11.2627 11.9156 12.1947 12.2354 12.4619 12.6350 12.7505 13.1817 13.3768 14.3218 14.6441 14.9681 15.1632 16.1643 16.2372 16.7711 16.9331 17.5249 k = 0.1429 0.1199 0.1973 ( 1337 PWs) bands (ev): -42.5361 -42.5122 -18.9192 -18.8740 -18.7513 -18.7058 -18.6122 -18.5919 8.3769 10.4104 11.0189 11.3108 11.4412 11.8033 12.1480 12.2131 12.4275 12.6086 12.7107 13.0232 13.3761 14.2147 14.6141 14.9780 15.1987 16.0475 16.1086 16.6727 16.9535 17.1966 k = 0.1429 0.1199 0.2631 ( 1335 PWs) bands (ev): -42.5303 -42.5178 -18.9145 -18.8878 -18.7399 -18.7127 -18.6074 -18.5966 8.9264 10.0963 11.0389 11.2749 11.5944 11.7789 12.1297 12.2077 12.4458 12.5287 12.6870 12.8421 13.5848 14.0263 14.6510 14.8948 15.3151 15.8353 16.1450 16.6628 16.7555 16.8898 k = 0.1429 0.1199-0.3288 ( 1332 PWs) bands (ev): -42.5240 -42.5240 -18.9030 -18.9030 -18.7251 -18.7251 -18.6021 -18.6021 9.5399 9.5399 11.1436 11.1436 11.7204 11.7204 12.1813 12.1813 12.4809 12.4809 12.7266 12.7266 13.8041 13.8041 14.7599 14.7599 15.5506 15.5506 16.3637 16.3637 16.7800 16.7800 k = 0.1429 0.1798 0.0000 ( 1326 PWs) bands (ev): -42.5424 -42.5065 -18.8883 -18.8722 -18.7401 -18.7387 -18.6168 -18.5869 7.9530 10.1840 11.1198 11.1652 11.1799 11.9542 12.1479 12.2095 12.3931 12.6428 12.7698 12.7923 14.0759 14.5256 14.6982 14.8949 15.0233 16.0372 16.3714 16.6014 16.8989 17.0549 k = 0.1429 0.1798 0.0658 ( 1328 PWs) bands (ev): -42.5414 -42.5074 -18.9007 -18.8652 -18.7540 -18.7214 -18.6160 -18.5876 8.0390 10.2233 11.1335 11.1822 11.2130 11.9192 12.1757 12.2082 12.3694 12.6036 12.7776 12.8392 13.9242 14.4624 14.6738 14.8676 15.1169 16.0111 16.2893 16.6580 16.8342 17.1450 k = 0.1429 0.1798 0.1315 ( 1336 PWs) bands (ev): -42.5388 -42.5098 -18.9168 -18.8679 -18.7546 -18.7075 -18.6141 -18.5898 8.2916 10.3200 11.1463 11.2255 11.3093 11.8592 12.1236 12.2162 12.3702 12.6055 12.7544 12.9206 13.5786 14.3196 14.6084 14.8407 15.2264 15.9896 16.1206 16.7589 16.7792 17.2223 k = 0.1429 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5347 -42.5136 -18.9264 -18.8844 -18.7412 -18.7002 -18.6109 -18.5932 8.6928 10.3943 11.0898 11.2518 11.4563 11.8168 12.0151 12.2376 12.4237 12.6202 12.7175 12.9610 13.2834 14.1323 14.5468 14.7749 15.2828 15.9468 16.0497 16.7372 16.8464 17.1212 k = 0.1429 0.1798 0.2631 ( 1337 PWs) bands (ev): -42.5295 -42.5185 -18.9276 -18.9042 -18.7240 -18.7009 -18.6067 -18.5973 9.2078 10.2392 11.0257 11.2001 11.6203 11.7921 12.0521 12.2257 12.4607 12.5937 12.6957 12.8191 13.3538 13.8724 14.5354 14.6798 15.3838 15.8042 16.1185 16.6562 16.7984 16.9582 k = 0.1429 0.1798-0.3288 ( 1332 PWs) bands (ev): -42.5239 -42.5239 -18.9198 -18.9198 -18.7092 -18.7092 -18.6019 -18.6019 9.7704 9.7704 11.0947 11.0947 11.7447 11.7447 12.1555 12.1555 12.5133 12.5133 12.7253 12.7253 13.5888 13.5888 14.5880 14.5880 15.5807 15.5807 16.3316 16.3316 16.8789 16.8789 k = 0.1429 0.2398 0.0000 ( 1330 PWs) bands (ev): -42.5402 -42.5087 -18.8795 -18.8564 -18.7571 -18.7495 -18.6148 -18.5889 8.4030 9.7200 11.2215 11.2678 11.3187 11.8561 12.1363 12.1778 12.2086 12.6002 12.7149 12.7651 14.2434 14.6103 14.6812 14.8883 14.9687 15.8320 16.2849 16.4436 16.6256 17.0192 k = 0.1429 0.2398 0.0658 ( 1324 PWs) bands (ev): -42.5394 -42.5094 -18.8909 -18.8592 -18.7585 -18.7347 -18.6142 -18.5893 8.4828 9.7797 11.2402 11.2847 11.3291 11.8488 12.0870 12.1849 12.2405 12.5784 12.7454 12.7629 14.1277 14.4724 14.6727 14.7847 15.1526 15.8347 16.1748 16.4742 16.6926 17.0298 k = 0.1429 0.2398 0.1315 ( 1332 PWs) bands (ev): -42.5370 -42.5115 -18.9110 -18.8760 -18.7453 -18.7160 -18.6125 -18.5913 8.7156 9.9454 11.2073 11.3601 11.3876 11.8412 11.9388 12.2127 12.3295 12.5801 12.7294 12.7881 13.8296 14.2361 14.5898 14.7108 15.3239 15.8400 16.0464 16.5423 16.7618 17.0402 k = 0.1429 0.2398 0.1973 ( 1334 PWs) bands (ev): -42.5333 -42.5148 -18.9268 -18.8990 -18.7258 -18.7019 -18.6096 -18.5944 9.0814 10.1676 11.0765 11.3850 11.5091 11.7871 11.8831 12.2552 12.4269 12.5908 12.6764 12.8173 13.4745 13.9880 14.5021 14.6264 15.3887 15.7974 16.0912 16.5909 16.7906 17.0050 k = 0.1429 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.5288 -42.5191 -18.9342 -18.9192 -18.7086 -18.6954 -18.6059 -18.5980 9.5401 10.2871 10.9207 11.2246 11.6580 11.7885 11.9714 12.2589 12.4624 12.6131 12.6485 12.7727 13.3057 13.6990 14.4617 14.5445 15.4834 15.7616 16.1134 16.4692 16.8591 16.9639 k = 0.1429 0.2398-0.3288 ( 1332 PWs) bands (ev): -42.5239 -42.5239 -18.9315 -18.9315 -18.6979 -18.6979 -18.6020 -18.6020 10.0119 10.0119 11.0123 11.0123 11.7661 11.7661 12.1275 12.1275 12.5530 12.5530 12.6792 12.6792 13.4317 13.4317 14.4820 14.4820 15.6471 15.6471 16.2205 16.2205 16.9357 16.9357 k = 0.1429-0.2997 0.0000 ( 1328 PWs) bands (ev): -42.5393 -42.5096 -18.8756 -18.8483 -18.7656 -18.7533 -18.6140 -18.5898 8.7352 9.3688 11.2576 11.3144 11.4016 11.8329 12.0505 12.1581 12.1957 12.5855 12.7033 12.7461 14.3267 14.6415 14.6709 14.8856 14.9440 15.7495 16.2549 16.3839 16.5206 17.0071 k = 0.1429-0.2997 0.0658 ( 1326 PWs) bands (ev): -42.5385 -42.5102 -18.8853 -18.8595 -18.7555 -18.7442 -18.6133 -18.5902 8.8082 9.4392 11.2916 11.3136 11.4112 11.8330 11.9893 12.1692 12.2305 12.5689 12.7199 12.7504 14.2519 14.4304 14.6969 14.7281 15.1769 15.7652 16.1259 16.3926 16.6345 17.0045 k = 0.1429-0.2997 0.1315 ( 1332 PWs) bands (ev): -42.5362 -42.5122 -18.9055 -18.8834 -18.7344 -18.7254 -18.6121 -18.5921 9.0202 9.6399 11.2429 11.3871 11.4923 11.8182 11.8414 12.2015 12.3217 12.5687 12.7021 12.7677 14.0376 14.0893 14.5944 14.6493 15.3955 15.7399 16.0492 16.4228 16.7551 16.9883 k = 0.1429-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5328 -42.5153 -18.9243 -18.9077 -18.7144 -18.7083 -18.6088 -18.5947 9.3489 9.9342 11.0777 11.5207 11.5722 11.6350 11.8696 12.2598 12.4391 12.5380 12.6579 12.7967 13.6074 13.8730 14.4866 14.5747 15.4847 15.6765 16.1759 16.4132 16.8158 16.9571 k = 0.1429-0.2997 0.2631 ( 1338 PWs) bands (ev): -42.5285 -42.5193 -18.9352 -18.9263 -18.7000 -18.6973 -18.6056 -18.5984 9.7501 10.2127 10.8784 11.2641 11.6724 11.7697 11.9413 12.2848 12.4617 12.5479 12.6536 12.7680 13.3317 13.6100 14.4348 14.5007 15.5972 15.6665 16.2028 16.2793 16.8918 16.9470 k = 0.1429-0.2997-0.3288 ( 1328 PWs) bands (ev): -42.5239 -42.5239 -18.9357 -18.9357 -18.6937 -18.6937 -18.6020 -18.6020 10.1306 10.1306 10.9577 10.9577 11.7735 11.7735 12.1150 12.1150 12.5937 12.5937 12.6244 12.6244 13.3818 13.3818 14.4468 14.4468 15.7014 15.7014 16.1363 16.1363 16.9526 16.9526 k = 0.2143 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.5330 -42.4884 -18.8952 -18.8869 -18.7339 -18.7101 -18.6973 -18.6872 7.8384 10.9471 11.0362 11.2096 11.2112 12.0104 12.0173 12.3644 12.5657 12.6297 12.9154 13.4055 13.4446 13.7016 14.8272 14.9846 15.5978 16.2407 16.2439 16.8646 17.3070 18.5082 k = 0.2143 0.0000 0.0658 ( 1349 PWs) bands (ev): -42.5319 -42.4895 -18.8934 -18.8843 -18.7331 -18.7122 -18.6995 -18.6882 7.9252 10.9076 11.0916 11.2451 11.2606 12.0053 12.0226 12.2872 12.5652 12.6166 12.8865 13.1541 13.5466 13.8495 14.8332 14.9784 15.5996 16.1726 16.2202 16.8474 17.1486 18.7145 k = 0.2143 0.0000 0.1315 ( 1333 PWs) bands (ev): -42.5286 -42.4926 -18.8884 -18.8776 -18.7314 -18.7178 -18.7056 -18.6914 8.1809 10.8540 11.1523 11.3412 11.4207 11.9384 12.0243 12.1865 12.4897 12.5696 12.7237 12.8850 13.7368 14.0461 14.8549 14.9682 15.6021 16.0479 16.1563 16.6670 16.9462 18.1030 k = 0.2143 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.5236 -42.4974 -18.8813 -18.8702 -18.7339 -18.7197 -18.7155 -18.6967 8.5908 10.7201 11.1865 11.4819 11.6530 11.7585 12.0077 12.1654 12.2684 12.3908 12.5737 12.8506 13.9183 14.2169 14.9148 14.9777 15.5895 15.9844 16.0935 16.3573 16.7793 17.4170 k = 0.2143 0.0000 0.2631 ( 1331 PWs) bands (ev): -42.5173 -42.5035 -18.8726 -18.8652 -18.7379 -18.7270 -18.7154 -18.7027 9.1272 10.3307 11.2434 11.5350 11.6650 11.8576 11.9821 12.1103 12.1358 12.3586 12.5295 12.7012 14.0807 14.2791 15.0398 15.0726 15.5274 15.8892 16.1255 16.2093 16.5590 16.8657 k = 0.2143 0.0000-0.3288 ( 1336 PWs) bands (ev): -42.5103 -42.5103 -18.8665 -18.8665 -18.7359 -18.7359 -18.7092 -18.7092 9.7401 9.7401 11.3661 11.3661 11.8184 11.8184 12.0022 12.0022 12.3234 12.3234 12.5241 12.5241 14.2138 14.2138 15.1420 15.1420 15.6086 15.6086 16.2625 16.2625 16.4917 16.4917 k = 0.2143 0.0599 0.0000 ( 1353 PWs) bands (ev): -42.5324 -42.4890 -18.8924 -18.8830 -18.7333 -18.7128 -18.7008 -18.6882 7.9090 10.9431 11.0600 11.2094 11.2323 11.9973 12.0216 12.2905 12.5450 12.6540 12.8262 13.1329 13.7096 13.8029 14.8356 14.9836 15.5862 16.1782 16.2047 16.8456 17.2305 18.1970 k = 0.2143 0.0599 0.0658 ( 1344 PWs) bands (ev): -42.5313 -42.4901 -18.8954 -18.8770 -18.7327 -18.7172 -18.6994 -18.6889 7.9946 10.9114 11.1101 11.2492 11.2701 11.9782 12.0309 12.2363 12.5532 12.6149 12.7776 13.1816 13.4928 13.9933 14.8431 14.9790 15.5839 16.0904 16.2029 16.8450 17.0701 18.3870 k = 0.2143 0.0599 0.1315 ( 1341 PWs) bands (ev): -42.5281 -42.4930 -18.8962 -18.8678 -18.7339 -18.7237 -18.7006 -18.6917 8.2468 10.8606 11.1701 11.3585 11.3949 11.8978 12.0407 12.1563 12.4690 12.5506 12.6905 13.0257 13.5342 14.1690 14.8623 14.9726 15.5688 15.9579 16.1561 16.6798 16.9103 18.2131 k = 0.2143 0.0599 0.1973 ( 1338 PWs) bands (ev): -42.5232 -42.4977 -18.8923 -18.8623 -18.7391 -18.7218 -18.7063 -18.6965 8.6507 10.7309 11.1959 11.5053 11.5441 11.7974 12.0174 12.0986 12.3451 12.4059 12.5814 12.8877 13.7426 14.2750 14.9083 14.9986 15.5063 15.9276 16.0852 16.4177 16.8003 17.4953 k = 0.2143 0.0599 0.2631 ( 1336 PWs) bands (ev): -42.5171 -42.5037 -18.8838 -18.8644 -18.7381 -18.7194 -18.7133 -18.7027 9.1780 10.3543 11.2349 11.4742 11.6754 11.8682 12.0000 12.0616 12.2335 12.3563 12.5379 12.7195 13.9625 14.2634 14.9885 15.1253 15.4089 15.8879 16.0742 16.3425 16.6181 16.9015 k = 0.2143 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.5103 -42.5103 -18.8733 -18.8733 -18.7295 -18.7295 -18.7090 -18.7090 9.7787 9.7787 11.3354 11.3354 11.8335 11.8335 12.0125 12.0125 12.3292 12.3292 12.5449 12.5449 14.1462 14.1462 15.1055 15.1055 15.5731 15.5731 16.3431 16.3431 16.5160 16.5160 k = 0.2143 0.1199 0.0000 ( 1341 PWs) bands (ev): -42.5307 -42.4907 -18.8852 -18.8733 -18.7313 -18.7197 -18.7107 -18.6902 8.1168 10.8673 11.1290 11.2302 11.2908 11.9299 12.0328 12.1530 12.4594 12.6711 12.6742 12.8965 13.9866 14.0150 14.8610 14.9847 15.5516 16.0474 16.1033 16.7509 17.0714 17.6269 k = 0.2143 0.1199 0.0658 ( 1341 PWs) bands (ev): -42.5297 -42.4916 -18.8939 -18.8642 -18.7341 -18.7261 -18.7027 -18.6908 8.1989 10.8652 11.1541 11.2494 11.3304 11.8964 12.0393 12.1436 12.4836 12.5539 12.7082 12.9741 13.6985 14.2022 14.8683 14.9812 15.5374 15.9411 16.1361 16.7816 16.9078 17.8068 k = 0.2143 0.1199 0.1315 ( 1343 PWs) bands (ev): -42.5268 -42.4944 -18.9024 -18.8568 -18.7418 -18.7252 -18.6980 -18.6914 8.4403 10.8450 11.2136 11.2994 11.4318 11.8342 12.0586 12.0860 12.4119 12.5226 12.6842 13.1437 13.3418 14.3146 14.8843 14.9803 15.4664 15.8406 16.1190 16.6677 16.8269 18.0476 k = 0.2143 0.1199 0.1973 ( 1342 PWs) bands (ev): -42.5222 -42.4987 -18.9047 -18.8607 -18.7406 -18.7210 -18.7002 -18.6927 8.8256 10.7429 11.2302 11.3464 11.5648 11.8291 11.9928 12.0708 12.3540 12.4882 12.5985 13.0134 13.4153 14.3104 14.9058 15.0359 15.3275 15.8638 16.0745 16.4975 16.8169 17.6398 k = 0.2143 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.5165 -42.5041 -18.8997 -18.8738 -18.7292 -18.7158 -18.7051 -18.6991 9.3256 10.4152 11.2160 11.3202 11.7223 11.8846 12.0204 12.0479 12.3475 12.3728 12.5570 12.7779 13.6996 14.1760 14.9375 15.1548 15.2504 15.8372 16.1224 16.4786 16.7241 16.9922 k = 0.2143 0.1199-0.3288 ( 1334 PWs) bands (ev): -42.5103 -42.5103 -18.8885 -18.8885 -18.7163 -18.7163 -18.7069 -18.7069 9.8884 9.8884 11.2555 11.2555 11.8653 11.8653 12.0393 12.0393 12.3469 12.3469 12.6002 12.6002 13.9623 13.9623 15.0235 15.0235 15.5481 15.5481 16.4686 16.4686 16.5905 16.5905 k = 0.2143 0.1798 0.0000 ( 1330 PWs) bands (ev): -42.5284 -42.4929 -18.8752 -18.8585 -18.7316 -18.7292 -18.7238 -18.6926 8.4477 10.5883 11.2342 11.3033 11.3709 11.8225 12.0442 12.0600 12.2873 12.5869 12.6365 12.7653 14.2372 14.2811 14.8939 14.9892 15.5012 15.9521 15.9624 16.5623 16.9245 17.0777 k = 0.2143 0.1798 0.0658 ( 1335 PWs) bands (ev): -42.5275 -42.4938 -18.8872 -18.8519 -18.7433 -18.7260 -18.7113 -18.6933 8.5238 10.6111 11.2222 11.3215 11.4106 11.8091 12.0293 12.0726 12.3197 12.5168 12.6739 12.7894 13.9832 14.4017 14.9036 14.9833 15.4747 15.8259 16.0508 16.5775 16.7833 17.2710 k = 0.2143 0.1798 0.1315 ( 1343 PWs) bands (ev): -42.5249 -42.4962 -18.9024 -18.8545 -18.7438 -18.7236 -18.6999 -18.6931 8.7468 10.6616 11.2027 11.3472 11.5036 11.8028 11.9886 12.0698 12.3467 12.4948 12.6723 12.8838 13.6097 14.4144 14.9205 14.9807 15.3498 15.8080 16.0520 16.5751 16.7320 17.4756 k = 0.2143 0.1798 0.1973 ( 1336 PWs) bands (ev): -42.5208 -42.5000 -18.9116 -18.8702 -18.7306 -18.7192 -18.7005 -18.6880 9.1001 10.6712 11.1669 11.2986 11.6274 11.8541 11.9262 12.0960 12.3389 12.5271 12.5961 13.0714 13.2569 14.2756 14.9022 15.0559 15.2196 15.8780 16.0404 16.5431 16.7733 17.4709 k = 0.2143 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.5158 -42.5048 -18.9121 -18.8897 -18.7172 -18.7117 -18.7038 -18.6887 9.5522 10.4783 11.1221 11.2099 11.7743 11.9135 11.9832 12.1079 12.3308 12.4689 12.5774 12.8850 13.4218 14.0197 14.8946 15.0362 15.3232 15.8789 16.1169 16.5869 16.7656 17.0235 k = 0.2143 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.5103 -42.5103 -18.9048 -18.9048 -18.7112 -18.7112 -18.6968 -18.6968 10.0477 10.0477 11.1467 11.1467 11.8963 11.8963 12.0694 12.0694 12.3657 12.3657 12.6802 12.6802 13.7235 13.7235 14.9420 14.9420 15.6109 15.6109 16.4834 16.4834 16.7022 16.7022 k = 0.2143 0.2398 0.0000 ( 1323 PWs) bands (ev): -42.5263 -42.4950 -18.8664 -18.8426 -18.7455 -18.7384 -18.7244 -18.6945 8.8648 10.1354 11.3507 11.3907 11.4426 11.7922 11.9787 12.0217 12.1420 12.5435 12.5888 12.6951 14.4096 14.5768 14.9218 14.9794 15.4517 15.8326 15.9470 16.3601 16.6283 16.8287 k = 0.2143 0.2398 0.0658 ( 1329 PWs) bands (ev): -42.5255 -42.4957 -18.8776 -18.8458 -18.7473 -18.7243 -18.7231 -18.6955 8.9321 10.1756 11.3197 11.4173 11.4742 11.7888 11.9561 12.0293 12.1948 12.4944 12.6195 12.7004 14.2309 14.5718 14.9395 14.9745 15.4391 15.7741 15.9766 16.3698 16.6242 16.9199 k = 0.2143 0.2398 0.1315 ( 1337 PWs) bands (ev): -42.5232 -42.4978 -18.8966 -18.8624 -18.7346 -18.7216 -18.7060 -18.6965 9.1284 10.2848 11.2426 11.4566 11.5464 11.7857 11.9181 12.0594 12.2862 12.4636 12.6487 12.7214 13.8726 14.4492 14.9445 14.9762 15.3411 15.8360 15.9595 16.4458 16.6474 17.0406 k = 0.2143 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.5196 -42.5012 -18.9116 -18.8847 -18.7197 -18.7144 -18.7013 -18.6899 9.4348 10.4243 11.1060 11.3789 11.6664 11.8292 11.9207 12.1220 12.3331 12.4875 12.5842 12.8822 13.4749 14.1876 14.8915 14.9905 15.3438 15.8370 16.0918 16.5396 16.6800 17.0506 k = 0.2143 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.5151 -42.5054 -18.9183 -18.9041 -18.7147 -18.7069 -18.6959 -18.6836 9.8168 10.4678 10.9681 11.2035 11.8164 11.9201 11.9631 12.1863 12.3129 12.4463 12.6225 12.9806 13.2661 13.8497 14.8618 14.9492 15.5073 15.9808 16.0669 16.6486 16.6818 16.8800 k = 0.2143 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.5102 -42.5102 -18.9160 -18.9160 -18.7102 -18.7102 -18.6863 -18.6863 10.2111 10.2111 11.0337 11.0337 11.9208 11.9208 12.0877 12.0877 12.3716 12.3716 12.7700 12.7700 13.5156 13.5156 14.8863 14.8863 15.7818 15.7818 16.3522 16.3522 16.7742 16.7742 k = 0.2143-0.2997 0.0000 ( 1320 PWs) bands (ev): -42.5254 -42.4959 -18.8627 -18.8344 -18.7537 -18.7421 -18.7236 -18.6953 9.1664 9.8077 11.4118 11.4306 11.4700 11.8168 11.9214 11.9684 12.1163 12.5285 12.5714 12.6659 14.4774 14.7485 14.9326 14.9413 15.4289 15.7776 15.9761 16.3297 16.3677 16.7956 k = 0.2143-0.2997 0.0658 ( 1322 PWs) bands (ev): -42.5247 -42.4965 -18.8718 -18.8457 -18.7442 -18.7330 -18.7228 -18.6958 9.2255 9.8595 11.3774 11.4637 11.4901 11.7992 11.9147 11.9868 12.1626 12.4880 12.5922 12.6730 14.3329 14.6508 14.9510 14.9668 15.4437 15.7618 15.9234 16.3565 16.4434 16.8348 k = 0.2143-0.2997 0.1315 ( 1334 PWs) bands (ev): -42.5225 -42.4985 -18.8911 -18.8694 -18.7242 -18.7213 -18.7140 -18.6978 9.3964 10.0055 11.2755 11.5155 11.5515 11.7568 11.9191 12.0415 12.2586 12.4482 12.6399 12.6702 13.9925 14.4415 14.9555 14.9599 15.4089 15.7897 15.9460 16.4339 16.5503 16.8874 k = 0.2143-0.2997 0.1973 ( 1334 PWs) bands (ev): -42.5191 -42.5017 -18.9088 -18.8929 -18.7178 -18.7075 -18.6975 -18.6966 9.6598 10.2141 11.1014 11.4175 11.6887 11.7856 11.9445 12.1339 12.3486 12.4253 12.5858 12.8225 13.5874 14.1276 14.8886 14.9565 15.5082 15.6916 16.2332 16.4892 16.5994 16.8743 k = 0.2143-0.2997 0.2631 ( 1336 PWs) bands (ev): -42.5148 -42.5057 -18.9192 -18.9110 -18.7143 -18.7065 -18.6877 -18.6856 9.9800 10.3937 10.9194 11.2038 11.8581 11.8732 11.9765 12.2399 12.3091 12.3955 12.6476 12.9811 13.2708 13.7634 14.8491 14.9201 15.7540 15.7605 16.3113 16.4003 16.6838 16.8240 k = 0.2143-0.2997-0.3288 ( 1316 PWs) bands (ev): -42.5102 -42.5102 -18.9195 -18.9195 -18.7097 -18.7097 -18.6818 -18.6818 10.2893 10.2893 10.9769 10.9769 11.9315 11.9315 12.0915 12.0915 12.3710 12.3710 12.8166 12.8166 13.4273 13.4273 14.8673 14.8673 15.9681 15.9681 16.1687 16.1687 16.7959 16.7959 k = 0.2857 0.0000 0.0000 ( 1360 PWs) bands (ev): -42.5173 -42.4734 -18.8808 -18.8716 -18.8560 -18.8058 -18.6986 -18.6828 8.5463 11.1701 11.3828 11.3887 11.4454 11.8161 11.9383 12.3139 12.4785 12.5738 12.8426 13.2290 13.2841 13.4999 14.7431 15.1688 15.7897 15.8553 16.3138 16.8571 17.3532 19.2879 k = 0.2857 0.0000 0.0658 ( 1347 PWs) bands (ev): -42.5162 -42.4745 -18.8788 -18.8693 -18.8544 -18.8067 -18.7004 -18.6846 8.6215 11.1867 11.4025 11.4145 11.4518 11.8180 11.9535 12.2416 12.4739 12.5498 12.8937 12.9249 13.2967 13.7611 14.7493 15.1602 15.7642 15.8582 16.2987 16.8475 17.1862 19.5049 k = 0.2857 0.0000 0.1315 ( 1339 PWs) bands (ev): -42.5130 -42.4775 -18.8734 -18.8630 -18.8508 -18.8099 -18.7068 -18.6914 8.8427 11.2107 11.4507 11.4849 11.4870 11.8058 11.9691 12.1436 12.4111 12.4287 12.5670 12.9325 13.3904 14.0930 14.7686 15.1524 15.6908 15.8861 16.2652 16.7068 16.9196 18.7375 k = 0.2857 0.0000 0.1973 ( 1343 PWs) bands (ev): -42.5081 -42.4823 -18.8661 -18.8558 -18.8447 -18.8150 -18.7157 -18.7016 9.1974 11.1275 11.4833 11.5742 11.5759 11.7484 11.9115 12.1170 12.1995 12.3104 12.4647 12.8070 13.6355 14.3907 14.8053 15.1728 15.5931 15.9803 16.2467 16.3230 16.7892 17.8521 k = 0.2857 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.5019 -42.4883 -18.8573 -18.8511 -18.8366 -18.8213 -18.7216 -18.7127 9.6629 10.7477 11.4889 11.6009 11.6863 11.7226 11.9426 12.1132 12.1674 12.2411 12.3974 12.5774 13.9564 14.4689 14.9761 15.2134 15.5190 15.9142 16.1799 16.2840 16.6391 17.1302 k = 0.2857 0.0000-0.3288 ( 1350 PWs) bands (ev): -42.4951 -42.4951 -18.8519 -18.8519 -18.8290 -18.8290 -18.7207 -18.7207 10.2027 10.2027 11.5347 11.5347 11.7462 11.7462 12.0372 12.0372 12.2442 12.2442 12.3774 12.3774 14.2674 14.2674 15.1995 15.1995 15.5860 15.5860 16.3628 16.3628 16.6374 16.6374 k = 0.2857 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.5167 -42.4740 -18.8780 -18.8680 -18.8550 -18.8066 -18.7007 -18.6859 8.6077 11.1849 11.3551 11.3878 11.4688 11.7955 11.9400 12.2635 12.4524 12.5882 12.7164 13.0920 13.3910 13.7168 14.7640 15.1591 15.8004 15.8238 16.2923 16.8392 17.2766 18.8101 k = 0.2857 0.0599 0.0658 ( 1345 PWs) bands (ev): -42.5157 -42.4750 -18.8804 -18.8622 -18.8537 -18.8076 -18.7054 -18.6849 8.6809 11.1943 11.3718 11.4058 11.4812 11.7895 11.9605 12.1900 12.4660 12.5331 12.7447 13.0594 13.2700 13.8930 14.7692 15.1504 15.7325 15.8683 16.2764 16.8369 17.1105 18.9903 k = 0.2857 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.5126 -42.4780 -18.8807 -18.8534 -18.8496 -18.8106 -18.7152 -18.6863 8.8963 11.2057 11.3926 11.4428 11.5433 11.7754 11.9812 12.0918 12.3864 12.4696 12.6119 13.0100 13.2953 14.1634 14.7835 15.1479 15.6400 15.9136 16.2355 16.7124 16.8700 18.8363 k = 0.2857 0.0599 0.1973 ( 1342 PWs) bands (ev): -42.5077 -42.4826 -18.8766 -18.8485 -18.8432 -18.8154 -18.7227 -18.6925 9.2408 11.1056 11.3934 11.4668 11.6440 11.7712 11.9291 12.1093 12.2794 12.3417 12.4788 12.8465 13.5640 14.4103 14.8156 15.1811 15.5474 15.9971 16.1577 16.4049 16.7807 17.9266 k = 0.2857 0.0599 0.2631 ( 1338 PWs) bands (ev): -42.5017 -42.4885 -18.8681 -18.8501 -18.8361 -18.8215 -18.7221 -18.7027 9.6913 10.7299 11.4002 11.4525 11.7538 11.8060 11.9936 12.1356 12.2011 12.2482 12.4209 12.6127 13.9006 14.4394 14.9951 15.2316 15.4866 15.8686 16.1994 16.3429 16.6529 17.1754 k = 0.2857 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4951 -42.4951 -18.8580 -18.8580 -18.8285 -18.8285 -18.7142 -18.7142 10.2102 10.2102 11.4229 11.4229 11.8284 11.8284 12.0645 12.0645 12.2465 12.2465 12.4208 12.4208 14.2213 14.2213 15.2185 15.2185 15.5613 15.5613 16.4083 16.4083 16.6535 16.6535 k = 0.2857 0.1199 0.0000 ( 1338 PWs) bands (ev): -42.5151 -42.4756 -18.8708 -18.8579 -18.8522 -18.8086 -18.7074 -18.6965 8.7880 11.2273 11.2642 11.3767 11.5215 11.7052 11.9428 12.1949 12.3480 12.5741 12.5878 12.8834 13.6674 14.0342 14.8203 15.1488 15.7335 15.8396 16.2313 16.7602 17.0935 18.0660 k = 0.2857 0.1199 0.0658 ( 1340 PWs) bands (ev): -42.5141 -42.4765 -18.8786 -18.8513 -18.8495 -18.8096 -18.7168 -18.6887 8.8554 11.2025 11.2782 11.3924 11.5336 11.7049 11.9706 12.1147 12.4317 12.4699 12.6760 12.8871 13.5350 14.1435 14.8221 15.1425 15.6523 15.8973 16.2141 16.7654 16.9443 18.2292 k = 0.2857 0.1199 0.1315 ( 1340 PWs) bands (ev): -42.5112 -42.4793 -18.8864 -18.8482 -18.8416 -18.8123 -18.7260 -18.6818 9.0531 11.1889 11.2222 11.4153 11.5853 11.7339 11.9852 12.0712 12.3598 12.4836 12.6506 13.0450 13.2974 14.3224 14.8221 15.1552 15.5432 15.9549 16.1608 16.6760 16.7780 18.5220 k = 0.2857 0.1199 0.1973 ( 1345 PWs) bands (ev): -42.5068 -42.4835 -18.8884 -18.8477 -18.8403 -18.8168 -18.7246 -18.6818 9.3675 11.0363 11.1981 11.3797 11.6667 11.8018 11.9968 12.1277 12.2835 12.4722 12.4988 13.0182 13.3897 14.4461 14.8576 15.2176 15.4635 15.9807 16.0927 16.4839 16.7510 18.0852 k = 0.2857 0.1199 0.2631 ( 1343 PWs) bands (ev): -42.5012 -42.4890 -18.8833 -18.8589 -18.8352 -18.8222 -18.7135 -18.6883 9.7743 10.6871 11.2175 11.3015 11.7882 11.8852 12.0876 12.1610 12.2646 12.2975 12.4882 12.7616 13.7545 14.3572 15.0666 15.2776 15.4268 15.8031 16.2331 16.4482 16.6745 17.2794 k = 0.2857 0.1199-0.3288 ( 1344 PWs) bands (ev): -42.4950 -42.4950 -18.8728 -18.8728 -18.8286 -18.8286 -18.6997 -18.6997 10.2349 10.2349 11.2482 11.2482 11.9007 11.9007 12.1310 12.1310 12.2583 12.2583 12.5593 12.5593 14.0972 14.0972 15.2768 15.2768 15.5205 15.5205 16.4991 16.4991 16.6919 16.6919 k = 0.2857 0.1798 0.0000 ( 1333 PWs) bands (ev): -42.5129 -42.4778 -18.8611 -18.8489 -18.8433 -18.8117 -18.7168 -18.7120 9.0741 10.9942 11.2914 11.3778 11.5467 11.6566 11.9370 12.1700 12.1920 12.5077 12.5489 12.7508 13.9433 14.3865 14.8956 15.1655 15.5994 15.9245 16.1422 16.5992 16.8905 17.3828 k = 0.2857 0.1798 0.0658 ( 1339 PWs) bands (ev): -42.5120 -42.4786 -18.8720 -18.8481 -18.8371 -18.8123 -18.7283 -18.6976 9.1315 10.9685 11.2779 11.3926 11.5501 11.6801 11.9671 12.0672 12.3445 12.4390 12.6167 12.7333 13.8471 14.4393 14.8912 15.1654 15.5357 15.9650 16.1313 16.5647 16.8037 17.5368 k = 0.2857 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.5094 -42.4810 -18.8860 -18.8462 -18.8382 -18.8146 -18.7283 -18.6837 9.2996 10.9214 11.2056 11.3930 11.5793 11.7446 12.0115 12.0719 12.3439 12.4671 12.6319 12.8427 13.6235 14.5107 14.8809 15.2027 15.4432 15.9798 16.1051 16.5090 16.7276 17.7754 k = 0.2857 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.5054 -42.4848 -18.8945 -18.8559 -18.8390 -18.8181 -18.7154 -18.6762 9.5646 10.8525 11.0827 11.3026 11.6631 11.8313 12.0927 12.1457 12.2931 12.4719 12.5453 13.1596 13.3563 14.4481 14.9714 15.2788 15.4039 15.9106 16.1216 16.4934 16.6983 17.8676 k = 0.2857 0.1798 0.2631 ( 1340 PWs) bands (ev): -42.5005 -42.4896 -18.8952 -18.8735 -18.8340 -18.8228 -18.6985 -18.6768 9.9031 10.6318 11.0343 11.1776 11.7984 11.9325 12.1165 12.2370 12.2822 12.3272 12.6136 13.0349 13.5686 14.2330 15.2132 15.3201 15.3928 15.8223 16.2440 16.5239 16.6685 17.3244 k = 0.2857 0.1798-0.3288 ( 1344 PWs) bands (ev): -42.4950 -42.4950 -18.8878 -18.8878 -18.8284 -18.8284 -18.6848 -18.6848 10.2786 10.2786 11.0819 11.0819 11.9332 11.9332 12.1528 12.1528 12.2995 12.2995 12.7848 12.7848 13.9273 13.9273 15.3365 15.3365 15.5666 15.5666 16.5672 16.5672 16.7068 16.7068 k = 0.2857 0.2398 0.0000 ( 1337 PWs) bands (ev): -42.5109 -42.4798 -18.8523 -18.8458 -18.8276 -18.8148 -18.7287 -18.7263 9.4308 10.5804 11.3604 11.3967 11.5201 11.7138 11.8990 12.0916 12.1563 12.4723 12.5072 12.6714 14.1640 14.7467 14.9615 15.1759 15.4637 16.0448 16.0858 16.4053 16.7370 16.8193 k = 0.2857 0.2398 0.0658 ( 1342 PWs) bands (ev): -42.5101 -42.4805 -18.8627 -18.8454 -18.8304 -18.8158 -18.7321 -18.7104 9.4741 10.5784 11.3226 11.4175 11.5165 11.7255 11.9531 12.0291 12.2756 12.4294 12.5515 12.6548 14.0975 14.7499 14.9598 15.1891 15.4148 16.0558 16.0908 16.3389 16.6766 16.9911 k = 0.2857 0.2398 0.1315 ( 1338 PWs) bands (ev): -42.5078 -42.4826 -18.8804 -18.8491 -18.8399 -18.8169 -18.7195 -18.6918 9.6007 10.5824 11.2168 11.3833 11.5481 11.7747 12.0438 12.0858 12.3382 12.4142 12.6011 12.7091 13.9193 14.6432 15.0067 15.2492 15.3747 15.9281 16.1673 16.3403 16.6573 17.1797 k = 0.2857 0.2398 0.1973 ( 1336 PWs) bands (ev): -42.5042 -42.4860 -18.8944 -18.8689 -18.8374 -18.8195 -18.7009 -18.6778 9.7999 10.5984 11.0434 11.2511 11.6520 11.8615 12.1159 12.2269 12.3038 12.4031 12.6017 12.9923 13.6715 14.3842 15.1576 15.3005 15.4338 15.8271 16.2317 16.4276 16.6425 17.2521 k = 0.2857 0.2398 0.2631 ( 1333 PWs) bands (ev): -42.4998 -42.4902 -18.9009 -18.8872 -18.8329 -18.8233 -18.6841 -18.6714 10.0538 10.5526 10.9051 11.0902 11.8003 11.9649 12.1268 12.2343 12.3102 12.3478 12.7772 13.2411 13.4758 14.0724 15.2999 15.3688 15.4911 15.9635 16.2130 16.5468 16.6297 17.0651 k = 0.2857 0.2398-0.3288 ( 1334 PWs) bands (ev): -42.4950 -42.4950 -18.8984 -18.8984 -18.8280 -18.8280 -18.6738 -18.6738 10.3307 10.3307 10.9519 10.9519 11.9565 11.9565 12.1301 12.1301 12.3418 12.3418 13.0353 13.0353 13.7403 13.7403 15.3344 15.3344 15.8004 15.8004 16.5204 16.5204 16.6608 16.6608 k = 0.2857-0.2997 0.0000 ( 1342 PWs) bands (ev): -42.5100 -42.4806 -18.8484 -18.8446 -18.8194 -18.8170 -18.7370 -18.7302 9.6794 10.3020 11.3947 11.4110 11.5056 11.7455 11.8645 12.0685 12.1478 12.4599 12.4916 12.6415 14.2552 14.9874 14.9880 15.1067 15.4015 16.0042 16.2351 16.3874 16.4423 16.6798 k = 0.2857-0.2997 0.0658 ( 1344 PWs) bands (ev): -42.5093 -42.4813 -18.8574 -18.8441 -18.8301 -18.8172 -18.7281 -18.7207 9.7100 10.3179 11.3433 11.4571 11.4750 11.7455 11.9470 12.0133 12.2508 12.4321 12.5209 12.6290 14.1980 14.8980 15.0708 15.1167 15.3625 16.0441 16.0973 16.4235 16.4557 16.7860 k = 0.2857-0.2997 0.1315 ( 1336 PWs) bands (ev): -42.5071 -42.4833 -18.8749 -18.8546 -18.8397 -18.8180 -18.7088 -18.7014 9.8008 10.3668 11.2239 11.3812 11.5319 11.7899 12.0341 12.1248 12.3264 12.3837 12.5912 12.6647 14.0454 14.6679 15.1602 15.2001 15.3728 15.8663 16.1644 16.4812 16.4882 16.9185 k = 0.2857-0.2997 0.1973 ( 1338 PWs) bands (ev): -42.5037 -42.4864 -18.8916 -18.8768 -18.8369 -18.8201 -18.6899 -18.6841 9.9483 10.4424 11.0323 11.2332 11.6467 11.8766 12.1145 12.2792 12.3261 12.3409 12.6344 12.9133 13.8323 14.3206 15.2693 15.2812 15.5600 15.6798 16.3543 16.4928 16.5210 16.9337 k = 0.2857-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4996 -42.4905 -18.9012 -18.8935 -18.8325 -18.8233 -18.6757 -18.6728 10.1429 10.4883 10.8639 11.0576 11.8002 11.9788 12.1536 12.1819 12.3442 12.3486 12.8851 13.1811 13.5994 13.9520 15.3008 15.3627 15.7166 15.8961 16.3888 16.5152 16.5515 16.7927 k = 0.2857-0.2997-0.3288 ( 1332 PWs) bands (ev): -42.4950 -42.4950 -18.9022 -18.9022 -18.8280 -18.8280 -18.6698 -18.6698 10.3572 10.3572 10.8989 10.8989 11.9686 11.9686 12.1137 12.1137 12.3574 12.3574 13.1764 13.1764 13.6261 13.6261 15.3270 15.3270 16.0549 16.0549 16.3091 16.3091 16.6588 16.6588 k = 0.3571 0.0000 0.0000 ( 1350 PWs) bands (ev): -42.5031 -42.4598 -18.9648 -18.9089 -18.8673 -18.8576 -18.6874 -18.6710 9.3615 11.2787 11.4653 11.5280 11.6596 11.8279 11.8775 12.2425 12.4086 12.6754 12.7603 12.8929 13.2125 13.5549 14.6563 15.1075 15.4623 15.5652 16.8431 17.0759 17.3982 19.5870 k = 0.3571 0.0000 0.0658 ( 1352 PWs) bands (ev): -42.5021 -42.4609 -18.9634 -18.9103 -18.8656 -18.8558 -18.6893 -18.6732 9.4172 11.2781 11.4715 11.5402 11.6667 11.7681 11.9780 12.1959 12.4227 12.6146 12.7116 12.8614 13.1456 13.7394 14.6707 15.0571 15.4312 15.6826 16.8408 17.0546 17.2308 19.7036 k = 0.3571 0.0000 0.1315 ( 1346 PWs) bands (ev): -42.4989 -42.4639 -18.9587 -18.9137 -18.8599 -18.8498 -18.6954 -18.6801 9.5808 11.2819 11.4840 11.5581 11.6852 11.7342 12.0731 12.1399 12.3201 12.4318 12.5999 12.9467 13.1320 14.0484 14.7086 15.0070 15.3531 15.9195 16.7843 16.8926 16.9973 19.4134 k = 0.3571 0.0000 0.1973 ( 1341 PWs) bands (ev): -42.4941 -42.4686 -18.9518 -18.9188 -18.8519 -18.8426 -18.7027 -18.6902 9.8423 11.2586 11.4896 11.4980 11.7097 11.7691 11.8936 12.1276 12.2841 12.4154 12.5359 12.7240 13.4653 14.3533 14.7219 15.0109 15.2913 16.1741 16.3832 16.8314 16.9192 18.3920 k = 0.3571 0.0000 0.2631 ( 1342 PWs) bands (ev): -42.4880 -42.4746 -18.9433 -18.9258 -18.8430 -18.8375 -18.7087 -18.7008 10.1855 10.9986 11.4458 11.4823 11.7353 11.7889 11.8909 12.1535 12.2637 12.2934 12.5402 12.5875 13.8447 14.4778 14.7612 15.0310 15.3446 15.9049 16.5176 16.8034 16.8441 17.5564 k = 0.3571 0.0000-0.3288 ( 1346 PWs) bands (ev): -42.4813 -42.4813 -18.9344 -18.9344 -18.8377 -18.8377 -18.7080 -18.7080 10.5865 10.5865 11.4643 11.4643 11.7580 11.7580 12.0783 12.0783 12.2036 12.2036 12.5612 12.5612 14.2113 14.2113 14.9695 14.9695 15.5425 15.5425 16.8002 16.8002 16.9401 16.9401 k = 0.3571 0.0599 0.0000 ( 1351 PWs) bands (ev): -42.5026 -42.4604 -18.9641 -18.9100 -18.8649 -18.8540 -18.6898 -18.6745 9.4070 11.2831 11.4311 11.4997 11.6284 11.8571 11.8746 12.2373 12.3823 12.5824 12.6922 13.0733 13.1205 13.7232 14.6885 15.0463 15.5358 15.5916 16.8212 17.0479 17.3233 19.2864 k = 0.3571 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.5015 -42.4614 -18.9625 -18.9111 -18.8667 -18.8488 -18.6945 -18.6739 9.4592 11.2559 11.4548 11.5252 11.6357 11.7647 11.9796 12.1388 12.4221 12.6050 12.7143 12.9137 13.1476 13.8477 14.7012 14.9978 15.5592 15.6514 16.8206 16.9945 17.1975 19.4287 k = 0.3571 0.0599 0.1315 ( 1340 PWs) bands (ev): -42.4985 -42.4643 -18.9576 -18.9143 -18.8667 -18.8400 -18.7032 -18.6750 9.6124 11.2248 11.4734 11.5541 11.6500 11.6928 11.9516 12.1618 12.4135 12.5239 12.6289 13.0035 13.0852 14.1062 14.7264 14.9660 15.4734 15.8875 16.7210 16.8264 17.0403 19.4591 k = 0.3571 0.0599 0.1973 ( 1339 PWs) bands (ev): -42.4937 -42.4689 -18.9507 -18.9192 -18.8624 -18.8344 -18.7100 -18.6809 9.8569 11.2047 11.3532 11.4736 11.6885 11.7251 11.9307 12.2252 12.3034 12.5099 12.5688 12.7794 13.4399 14.3860 14.7101 15.0279 15.3817 16.1441 16.3326 16.8052 16.9444 18.4254 k = 0.3571 0.0599 0.2631 ( 1342 PWs) bands (ev): -42.4878 -42.4748 -18.9428 -18.9262 -18.8537 -18.8360 -18.7096 -18.6907 10.1771 10.9433 11.2879 11.4055 11.7672 11.8191 11.9549 12.1702 12.2596 12.4457 12.5825 12.6302 13.8332 14.4727 14.7829 15.0899 15.3852 15.8876 16.4895 16.7882 16.8630 17.5659 k = 0.3571 0.0599-0.3288 ( 1338 PWs) bands (ev): -42.4813 -42.4813 -18.9340 -18.9340 -18.8438 -18.8438 -18.7016 -18.7016 10.5512 10.5512 11.3385 11.3385 11.8363 11.8363 12.0474 12.0474 12.3102 12.3102 12.6081 12.6081 14.2052 14.2052 15.0158 15.0158 15.5534 15.5534 16.7982 16.7982 16.9325 16.9325 k = 0.3571 0.1199 0.0000 ( 1349 PWs) bands (ev): -42.5010 -42.4620 -18.9610 -18.9124 -18.8580 -18.8439 -18.6968 -18.6854 9.5401 11.2963 11.3293 11.4551 11.5253 11.8628 11.9023 12.2422 12.2724 12.4653 12.7277 12.8844 13.4188 14.0157 14.7751 14.9872 15.4525 15.8449 16.7528 16.9615 17.1343 18.5570 k = 0.3571 0.1199 0.0658 ( 1345 PWs) bands (ev): -42.5000 -42.4629 -18.9594 -18.9133 -18.8650 -18.8360 -18.7056 -18.6777 9.5817 11.1948 11.3739 11.5105 11.5375 11.7667 11.9457 12.1035 12.4236 12.5691 12.7363 12.8076 13.3908 14.0850 14.7826 14.9455 15.5558 15.8160 16.7563 16.8229 17.1201 18.6688 k = 0.3571 0.1199 0.1315 ( 1339 PWs) bands (ev): -42.4972 -42.4656 -18.9550 -18.9160 -18.8719 -18.8290 -18.7138 -18.6708 9.7044 11.1028 11.3625 11.4692 11.5631 11.6955 11.9679 12.1304 12.4847 12.6208 12.6658 12.9797 13.2749 14.2604 14.7540 14.9773 15.6563 15.8447 16.5311 16.7631 17.0520 18.9042 k = 0.3571 0.1199 0.1973 ( 1341 PWs) bands (ev): -42.4928 -42.4699 -18.9490 -18.9204 -18.8736 -18.8321 -18.7122 -18.6703 9.9014 11.0612 11.1423 11.3513 11.6359 11.7327 12.0917 12.1530 12.3880 12.6133 12.6773 13.0579 13.3888 14.4806 14.7084 15.1173 15.5501 16.0741 16.2146 16.7577 16.9578 18.5065 k = 0.3571 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4873 -42.4752 -18.9416 -18.9265 -18.8684 -18.8439 -18.7015 -18.6762 10.1623 10.8091 11.0787 11.2403 11.7639 11.8176 12.0799 12.1491 12.3424 12.6360 12.7237 12.8533 13.8093 14.4738 14.8698 15.2370 15.4822 15.8504 16.4182 16.7607 16.8681 17.5944 k = 0.3571 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4812 -42.4812 -18.9337 -18.9337 -18.8578 -18.8578 -18.6877 -18.6877 10.4721 10.4721 11.1420 11.1420 11.8781 11.8781 12.0296 12.0296 12.5134 12.5134 12.7659 12.7659 14.1976 14.1976 15.1459 15.1459 15.5855 15.5855 16.7579 16.7579 16.9318 16.9318 k = 0.3571 0.1798 0.0000 ( 1340 PWs) bands (ev): -42.4988 -42.4641 -18.9566 -18.9160 -18.8484 -18.8290 -18.7062 -18.7002 9.7481 11.1535 11.3179 11.3760 11.4132 11.8327 11.9670 12.1455 12.2456 12.4227 12.7325 12.7796 13.7081 14.3419 14.8946 14.9889 15.3294 16.1219 16.6516 16.8108 16.9041 17.8572 k = 0.3571 0.1798 0.0658 ( 1342 PWs) bands (ev): -42.4980 -42.4649 -18.9554 -18.9166 -18.8582 -18.8237 -18.7165 -18.6865 9.7723 11.0574 11.2939 11.3729 11.5123 11.8008 11.9268 12.0764 12.4195 12.5140 12.6906 12.7743 13.7094 14.3795 14.8704 14.9798 15.4168 16.0940 16.5909 16.6648 17.0098 17.9230 k = 0.3571 0.1798 0.1315 ( 1339 PWs) bands (ev): -42.4954 -42.4673 -18.9516 -18.9189 -18.8712 -18.8264 -18.7161 -18.6725 9.8470 10.9292 11.2236 11.3197 11.5520 11.7400 12.0359 12.0812 12.5158 12.6233 12.6985 12.8852 13.6792 14.4820 14.7825 15.0864 15.5698 16.0333 16.3249 16.6784 17.0073 18.0731 k = 0.3571 0.1798 0.1973 ( 1339 PWs) bands (ev): -42.4915 -42.4711 -18.9465 -18.9223 -18.8792 -18.8407 -18.7035 -18.6649 9.9757 10.8394 11.0189 11.2120 11.6101 11.7612 12.0807 12.2669 12.3618 12.6940 12.7907 13.1880 13.6141 14.5922 14.7858 15.2763 15.6196 16.0112 16.1491 16.6852 16.9211 18.1821 k = 0.3571 0.1798 0.2631 ( 1342 PWs) bands (ev): -42.4866 -42.4759 -18.9404 -18.9274 -18.8797 -18.8582 -18.6867 -18.6653 10.1600 10.6583 10.9152 11.0805 11.7369 11.8356 12.0354 12.1616 12.5026 12.7318 12.8991 13.1992 13.8243 14.4858 15.0459 15.4457 15.5710 15.8246 16.3490 16.6954 16.8210 17.5936 k = 0.3571 0.1798-0.3288 ( 1346 PWs) bands (ev): -42.4812 -42.4812 -18.9335 -18.9335 -18.8723 -18.8723 -18.6734 -18.6734 10.3949 10.3949 10.9687 10.9687 11.8733 11.8733 12.0041 12.0041 12.6776 12.6776 13.0302 13.0302 14.1981 14.1981 15.3561 15.3561 15.6370 15.6370 16.6700 16.6700 16.9155 16.9155 k = 0.3571 0.2398 0.0000 ( 1344 PWs) bands (ev): -42.4969 -42.4660 -18.9528 -18.9194 -18.8395 -18.8135 -18.7168 -18.7155 9.9987 10.8832 11.3003 11.3416 11.3762 11.7862 12.0418 12.0781 12.2239 12.3990 12.6635 12.7979 13.9402 14.6542 14.9985 15.0084 15.2079 16.3385 16.6167 16.6270 16.7128 17.3025 k = 0.3571 0.2398 0.0658 ( 1340 PWs) bands (ev): -42.4961 -42.4667 -18.9516 -18.9199 -18.8487 -18.8176 -18.7203 -18.6990 9.9991 10.8254 11.2560 11.2845 11.4980 11.8356 11.9260 12.0362 12.3899 12.4909 12.6305 12.8037 13.9742 14.6905 14.9208 15.0602 15.2622 16.2975 16.4271 16.6171 16.8810 17.3161 k = 0.3571 0.2398 0.1315 ( 1343 PWs) bands (ev): -42.4939 -42.4689 -18.9486 -18.9216 -18.8653 -18.8333 -18.7081 -18.6805 10.0134 10.7253 11.1449 11.2244 11.5444 11.7971 11.9781 12.1325 12.4996 12.6282 12.6804 12.8656 14.0463 14.7090 14.8441 15.2021 15.3893 16.0790 16.3639 16.6132 16.9198 17.3863 k = 0.3571 0.2398 0.1973 ( 1340 PWs) bands (ev): -42.4904 -42.4722 -18.9442 -18.9244 -18.8788 -18.8537 -18.6892 -18.6666 10.0669 10.6488 10.9468 11.1089 11.5963 11.7941 12.0290 12.2541 12.4921 12.7256 12.8784 13.0925 14.0561 14.5945 14.9955 15.4372 15.5220 15.9034 16.3118 16.6225 16.8264 17.4450 k = 0.3571 0.2398 0.2631 ( 1339 PWs) bands (ev): -42.4860 -42.4765 -18.9388 -18.9283 -18.8850 -18.8714 -18.6729 -18.6603 10.1774 10.5379 10.8119 10.9672 11.7198 11.8471 12.0106 12.1077 12.6693 12.7812 13.0763 13.3240 14.0144 14.4533 15.3014 15.5847 15.6771 15.8441 16.3523 16.5951 16.7189 17.2847 k = 0.3571 0.2398-0.3288 ( 1336 PWs) bands (ev): -42.4812 -42.4812 -18.9332 -18.9332 -18.8824 -18.8824 -18.6625 -18.6625 10.3460 10.3460 10.8494 10.8494 11.8692 11.8692 11.9698 11.9698 12.7731 12.7731 13.2749 13.2749 14.1980 14.1980 15.6226 15.6226 15.7206 15.7206 16.5782 16.5782 16.7791 16.7791 k = 0.3571-0.2997 0.0000 ( 1346 PWs) bands (ev): -42.4961 -42.4668 -18.9511 -18.9207 -18.8357 -18.8065 -18.7247 -18.7194 10.1586 10.7078 11.2804 11.3530 11.3611 11.7615 12.0605 12.0844 12.2004 12.3906 12.6396 12.8069 14.0366 14.8297 14.9841 15.0307 15.1622 16.3893 16.4938 16.6359 16.8181 16.9549 k = 0.3571-0.2997 0.0658 ( 1342 PWs) bands (ev): -42.4953 -42.4675 -18.9499 -18.9215 -18.8437 -18.8173 -18.7160 -18.7090 10.1395 10.6747 11.2460 11.2583 11.4916 11.8491 11.9284 12.0158 12.3736 12.4890 12.6114 12.8151 14.0838 14.8843 14.9731 15.0079 15.1962 16.2687 16.4242 16.7558 16.8631 16.9223 k = 0.3571-0.2997 0.1315 ( 1342 PWs) bands (ev): -42.4932 -42.4695 -18.9472 -18.9227 -18.8602 -18.8395 -18.6976 -18.6901 10.1105 10.6122 11.1214 11.1913 11.5417 11.8415 11.9256 12.1556 12.5236 12.5720 12.6880 12.8725 14.2114 14.7454 15.0733 15.0788 15.3387 16.0103 16.5058 16.6762 16.8311 17.0298 k = 0.3571-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4899 -42.4727 -18.9432 -18.9252 -18.8757 -18.8614 -18.6787 -18.6726 10.1190 10.5634 10.9222 11.0713 11.5917 11.8115 12.0067 12.2272 12.6050 12.6959 12.9174 13.0372 14.3580 14.4717 15.1948 15.3241 15.5754 15.8337 16.5618 16.5713 16.7138 17.0757 k = 0.3571-0.2997 0.2631 ( 1340 PWs) bands (ev): -42.4857 -42.4767 -18.9383 -18.9287 -18.8854 -18.8781 -18.6648 -18.6614 10.1920 10.4878 10.7766 10.9261 11.7136 11.8521 12.0080 12.0763 12.7533 12.7761 13.2256 13.2442 14.2316 14.3467 15.4892 15.5459 15.7592 15.8873 16.4844 16.4912 16.6609 16.9326 k = 0.3571-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4812 -42.4812 -18.9332 -18.9332 -18.8861 -18.8861 -18.6587 -18.6587 10.3303 10.3303 10.8063 10.8063 11.8701 11.8701 11.9528 11.9528 12.8049 12.8049 13.3736 13.3736 14.1951 14.1951 15.6901 15.6901 15.8964 15.8964 16.5155 16.5155 16.6234 16.6234 k = 0.4286 0.0000 0.0000 ( 1358 PWs) bands (ev): -42.4933 -42.4504 -19.0391 -18.9802 -18.8589 -18.8486 -18.6799 -18.6627 10.1670 11.3446 11.3975 11.5600 11.6026 11.8271 11.9719 12.1664 12.3664 12.6919 12.7158 13.0089 13.1949 13.5264 14.5854 14.7989 15.2359 15.3897 16.8280 17.4280 17.7296 19.2837 k = 0.4286 0.0000 0.0658 ( 1346 PWs) bands (ev): -42.4922 -42.4514 -19.0378 -18.9811 -18.8560 -18.8461 -18.6814 -18.6652 10.1917 11.3101 11.3847 11.5716 11.5949 11.8233 12.0548 12.1411 12.4246 12.5527 12.7872 12.9899 13.1092 13.6515 14.6240 14.7366 15.1933 15.5743 16.8267 17.2678 17.7047 19.3211 k = 0.4286 0.0000 0.1315 ( 1343 PWs) bands (ev): -42.4891 -42.4544 -19.0327 -18.9843 -18.8504 -18.8406 -18.6871 -18.6721 10.2672 11.2491 11.3529 11.5591 11.6090 11.8332 12.1133 12.1694 12.2773 12.5663 12.8536 12.9649 13.0732 13.8777 14.6576 14.7122 15.0864 15.9752 16.8279 16.8803 17.6242 19.3835 k = 0.4286 0.0000 0.1973 ( 1334 PWs) bands (ev): -42.4844 -42.4591 -19.0248 -18.9896 -18.8419 -18.8336 -18.6940 -18.6820 10.3962 11.1995 11.3158 11.4340 11.6748 11.8295 12.0827 12.1107 12.2292 12.5564 12.7953 13.0053 13.3947 14.1119 14.6117 14.7060 15.0475 16.3737 16.4832 16.8603 17.4818 19.1075 k = 0.4286 0.0000 0.2631 ( 1339 PWs) bands (ev): -42.4783 -42.4651 -19.0158 -18.9971 -18.8333 -18.8285 -18.6998 -18.6922 10.5822 11.0832 11.2705 11.2817 11.7685 11.8851 12.0141 12.1191 12.1920 12.3082 12.9655 13.0735 13.7699 14.3342 14.4813 14.5797 15.2100 15.9165 16.8481 17.0723 17.2759 18.2575 k = 0.4286 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4717 -42.4717 -19.0062 -19.0062 -18.8284 -18.8284 -18.6992 -18.6992 10.8229 10.8229 11.2575 11.2575 11.8780 11.8780 12.0539 12.0539 12.1782 12.1782 13.0708 13.0708 14.1411 14.1411 14.5115 14.5115 15.5026 15.5026 17.0446 17.0446 17.6005 17.6005 k = 0.4286 0.0599 0.0000 ( 1350 PWs) bands (ev): -42.4927 -42.4510 -19.0384 -18.9809 -18.8559 -18.8442 -18.6822 -18.6665 10.1863 11.3408 11.3560 11.5233 11.5441 11.8186 12.0377 12.1875 12.3519 12.4763 12.9800 13.0336 13.0898 13.6553 14.6263 14.7260 15.3626 15.4292 16.8136 17.3571 17.6690 19.2403 k = 0.4286 0.0599 0.0658 ( 1351 PWs) bands (ev): -42.4917 -42.4520 -19.0368 -18.9820 -18.8574 -18.8395 -18.6866 -18.6662 10.2045 11.2442 11.4012 11.5468 11.5535 11.8263 12.0227 12.0921 12.4481 12.6063 12.8114 13.0346 13.1111 13.7344 14.6517 14.6813 15.3824 15.5386 16.8112 17.1795 17.6837 19.2753 k = 0.4286 0.0599 0.1315 ( 1343 PWs) bands (ev): -42.4887 -42.4549 -19.0318 -18.9850 -18.8570 -18.8310 -18.6950 -18.6674 10.2621 11.1562 11.3777 11.5590 11.5882 11.7729 11.9104 12.1597 12.5147 12.6483 12.8907 12.9986 13.0777 13.9241 14.5788 14.7787 15.2586 15.9279 16.7895 16.8244 17.6413 19.3321 k = 0.4286 0.0599 0.1973 ( 1340 PWs) bands (ev): -42.4840 -42.4595 -19.0242 -18.9901 -18.8525 -18.8256 -18.7013 -18.6729 10.3672 11.1128 11.2804 11.4052 11.6577 11.7142 11.9915 12.1780 12.3686 12.6846 12.8729 13.0682 13.3905 14.1460 14.5186 14.8609 15.1375 16.3314 16.4300 16.8366 17.5139 19.0567 k = 0.4286 0.0599 0.2631 ( 1337 PWs) bands (ev): -42.4782 -42.4653 -19.0153 -18.9972 -18.8439 -18.8266 -18.7007 -18.6823 10.5289 11.0202 11.1347 11.2584 11.7614 11.8235 12.0033 12.1255 12.2793 12.4798 13.0532 13.1493 13.7891 14.3652 14.4376 14.7313 15.2468 15.9047 16.8303 17.0168 17.3073 18.1954 k = 0.4286 0.0599-0.3288 ( 1342 PWs) bands (ev): -42.4717 -42.4717 -19.0058 -19.0058 -18.8343 -18.8343 -18.6933 -18.6933 10.7515 10.7515 11.1781 11.1781 11.8854 11.8854 11.9895 11.9895 12.3379 12.3379 13.1553 13.1553 14.1624 14.1624 14.5773 14.5773 15.5165 15.5165 17.0521 17.0521 17.5378 17.5378 k = 0.4286 0.1199 0.0000 ( 1356 PWs) bands (ev): -42.4912 -42.4525 -19.0354 -18.9835 -18.8490 -18.8344 -18.6893 -18.6775 10.2424 11.2576 11.3313 11.4025 11.4502 11.7916 12.1811 12.2282 12.2542 12.3788 12.8904 13.1464 13.2749 13.8833 14.6417 14.7372 15.2846 15.8405 16.7727 17.1676 17.4824 19.0365 k = 0.4286 0.1199 0.0658 ( 1350 PWs) bands (ev): -42.4902 -42.4534 -19.0337 -18.9843 -18.8555 -18.8268 -18.6977 -18.6701 10.2420 11.1444 11.3331 11.4136 11.5477 11.8334 11.9181 12.1138 12.5280 12.5844 12.7680 13.1364 13.3167 13.9208 14.5912 14.7810 15.4341 15.7882 16.7610 16.9778 17.5796 19.0558 k = 0.4286 0.1199 0.1315 ( 1345 PWs) bands (ev): -42.4874 -42.4561 -19.0291 -18.9870 -18.8620 -18.8201 -18.7056 -18.6633 10.2530 11.0187 11.3013 11.4232 11.5692 11.6611 11.9762 12.0942 12.5521 12.8057 12.9398 13.1431 13.2848 14.0504 14.5191 14.9011 15.6243 15.8007 16.5960 16.7927 17.6344 19.0906 k = 0.4286 0.1199 0.1973 ( 1344 PWs) bands (ev): -42.4831 -42.4604 -19.0223 -18.9918 -18.8632 -18.8228 -18.7037 -18.6627 10.3013 10.9545 11.1355 11.2595 11.5945 11.6729 12.0884 12.1655 12.3506 12.9818 13.0967 13.2742 13.4180 14.2508 14.4826 15.0483 15.4084 16.2236 16.2749 16.7875 17.5638 18.9161 k = 0.4286 0.1199 0.2631 ( 1339 PWs) bands (ev): -42.4777 -42.4657 -19.0140 -18.9981 -18.8580 -18.8342 -18.6928 -18.6682 10.4097 10.8409 10.9619 11.1274 11.7286 11.7617 12.0147 12.1147 12.4000 12.8190 13.2688 13.3499 13.8617 14.4312 14.5166 15.0025 15.3518 15.8756 16.7476 16.8909 17.3676 18.0256 k = 0.4286 0.1199-0.3288 ( 1340 PWs) bands (ev): -42.4717 -42.4717 -19.0056 -19.0056 -18.8477 -18.8477 -18.6794 -18.6794 10.5907 10.5907 11.0228 11.0228 11.8643 11.8643 11.9356 11.9356 12.6094 12.6094 13.3617 13.3617 14.2468 14.2468 14.7633 14.7633 15.5585 15.5585 17.0610 17.0610 17.3595 17.3595 k = 0.4286 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4891 -42.4546 -19.0309 -18.9869 -18.8391 -18.8194 -18.6987 -18.6923 10.3282 11.1351 11.2472 11.3213 11.3772 11.7480 12.1449 12.2375 12.3561 12.3624 12.7531 13.2500 13.5602 14.1260 14.6000 14.8920 15.1694 16.3313 16.7262 16.9270 17.1879 18.5901 k = 0.4286 0.1798 0.0658 ( 1352 PWs) bands (ev): -42.4882 -42.4554 -19.0295 -18.9881 -18.8488 -18.8147 -18.7083 -18.6788 10.3008 11.0402 11.2285 11.2454 11.5516 11.8377 11.8781 12.1145 12.4951 12.6671 12.6911 13.2519 13.6319 14.1479 14.5695 14.9336 15.2733 16.2728 16.6500 16.7932 17.3540 18.5566 k = 0.4286 0.1798 0.1315 ( 1349 PWs) bands (ev): -42.4857 -42.4578 -19.0256 -18.9900 -18.8612 -18.8173 -18.7080 -18.6650 10.2512 10.8924 11.1570 11.2117 11.5780 11.7030 12.0027 12.0737 12.4911 12.8409 13.0007 13.2890 13.7360 14.2355 14.5238 15.0585 15.5429 16.1091 16.3876 16.7510 17.5189 18.4686 k = 0.4286 0.1798 0.1973 ( 1340 PWs) bands (ev): -42.4819 -42.4616 -19.0195 -18.9938 -18.8685 -18.8309 -18.6951 -18.6571 10.2353 10.7985 10.9500 11.1119 11.5673 11.6973 12.0102 12.2547 12.3802 13.0384 13.3157 13.4316 13.8127 14.4299 14.5348 15.2399 15.6856 16.0824 16.1309 16.7322 17.5394 18.3641 k = 0.4286 0.1798 0.2631 ( 1338 PWs) bands (ev): -42.4770 -42.4663 -19.0122 -18.9989 -18.8689 -18.8478 -18.6786 -18.6575 10.2895 10.6416 10.8253 10.9847 11.6832 11.7547 11.9572 12.0730 12.6192 13.0244 13.4829 13.5853 14.0678 14.5776 14.7331 15.3118 15.5004 15.8577 16.5407 16.7819 17.3645 17.8054 k = 0.4286 0.1798-0.3288 ( 1342 PWs) bands (ev): -42.4717 -42.4717 -19.0054 -19.0054 -18.8617 -18.8617 -18.6650 -18.6650 10.4282 10.4282 10.8764 10.8764 11.8290 11.8290 11.8908 11.8908 12.8568 12.8568 13.5718 13.5718 14.4361 14.4361 15.0416 15.0416 15.6343 15.6343 17.0044 17.0044 17.1201 17.1201 k = 0.4286 0.2398 0.0000 ( 1355 PWs) bands (ev): -42.4872 -42.4565 -19.0268 -18.9910 -18.8306 -18.8043 -18.7084 -18.7079 10.4256 10.9963 11.1502 11.3145 11.3244 11.7043 12.0876 12.2444 12.3428 12.4951 12.6766 13.3293 13.7883 14.3241 14.5920 15.0165 15.0714 16.5972 16.7147 16.8580 16.9590 18.0968 k = 0.4286 0.2398 0.0658 ( 1349 PWs) bands (ev): -42.4864 -42.4572 -19.0253 -18.9913 -18.8394 -18.8083 -18.7121 -18.6914 10.3679 10.9296 11.1352 11.1545 11.5467 11.8347 11.8691 12.1043 12.4323 12.6372 12.7885 13.3394 13.9027 14.3589 14.5967 15.0257 15.1331 16.4432 16.6499 16.8826 17.0751 18.0374 k = 0.4286 0.2398 0.1315 ( 1348 PWs) bands (ev): -42.4842 -42.4593 -19.0219 -18.9930 -18.8554 -18.8237 -18.7000 -18.6728 10.2602 10.7918 11.0326 11.0999 11.5817 11.7626 11.9192 12.1122 12.5052 12.7250 13.1440 13.3910 14.1546 14.4632 14.5739 15.1374 15.3038 16.1748 16.5960 16.7607 17.2784 17.8663 k = 0.4286 0.2398 0.1973 ( 1338 PWs) bands (ev): -42.4808 -42.4627 -19.0166 -18.9959 -18.8680 -18.8435 -18.6812 -18.6588 10.1921 10.6761 10.8377 11.0065 11.5559 11.7284 11.9402 12.1806 12.5950 12.9469 13.4668 13.5048 14.3283 14.6304 14.6696 15.3880 15.5139 15.9756 16.3905 16.7039 17.3704 17.6335 k = 0.4286 0.2398 0.2631 ( 1331 PWs) bands (ev): -42.4764 -42.4669 -19.0106 -18.9996 -18.8739 -18.8608 -18.6646 -18.6523 10.2071 10.5043 10.7365 10.8812 11.6574 11.7526 11.9136 12.0202 12.8330 13.0665 13.5986 13.7070 14.3969 14.8176 15.0302 15.4673 15.6617 15.9124 16.3719 16.6797 17.1687 17.4223 k = 0.4286 0.2398-0.3288 ( 1338 PWs) bands (ev): -42.4717 -42.4717 -19.0050 -19.0050 -18.8716 -18.8716 -18.6547 -18.6547 10.3163 10.3163 10.7767 10.7767 11.8057 11.8057 11.8528 11.8528 13.0168 13.0168 13.6926 13.6926 14.6805 14.6805 15.3617 15.3617 15.7592 15.7592 16.7654 16.7654 16.9221 16.9221 k = 0.4286-0.2997 0.0000 ( 1354 PWs) bands (ev): -42.4864 -42.4572 -19.0248 -18.9925 -18.8269 -18.7971 -18.7159 -18.7117 10.4788 10.9232 11.1206 11.3053 11.3123 11.6859 12.0710 12.2449 12.3381 12.5427 12.6569 13.3590 13.8823 14.4017 14.5961 14.9815 15.1147 16.6264 16.6375 16.6906 17.2961 17.7529 k = 0.4286-0.2997 0.0658 ( 1348 PWs) bands (ev): -42.4857 -42.4579 -19.0236 -18.9926 -18.8343 -18.8078 -18.7077 -18.7017 10.4032 10.8723 11.1059 11.1249 11.5436 11.8317 11.8680 12.0991 12.4113 12.6190 12.8363 13.3719 14.0159 14.4487 14.6458 14.9321 15.1681 16.3736 16.6533 16.9172 17.2235 17.6958 k = 0.4286-0.2997 0.1315 ( 1348 PWs) bands (ev): -42.4836 -42.4600 -19.0202 -18.9942 -18.8503 -18.8298 -18.6897 -18.6823 10.2672 10.7493 10.9927 11.0611 11.5828 11.8174 11.8545 12.1142 12.5971 12.6074 13.1964 13.4277 14.3276 14.5738 14.8108 14.8316 15.3203 16.1104 16.6893 16.9787 17.1297 17.5307 k = 0.4286-0.2997 0.1973 ( 1340 PWs) bands (ev): -42.4803 -42.4631 -19.0154 -18.9967 -18.8650 -18.8514 -18.6708 -18.6646 10.1779 10.6289 10.8034 10.9676 11.5522 11.7459 11.9086 12.1520 12.7798 12.8009 13.5231 13.5256 14.5553 14.7246 14.9763 15.0441 15.5548 15.9230 16.6739 16.7085 17.1827 17.2835 k = 0.4286-0.2997 0.2631 ( 1324 PWs) bands (ev): -42.4762 -42.4672 -19.0098 -19.0000 -18.8740 -18.8668 -18.6568 -18.6531 10.1784 10.4562 10.7060 10.8436 11.6487 11.7531 11.8974 11.9983 12.9778 13.0057 13.6302 13.7399 14.5412 15.0579 15.2124 15.3104 15.8247 15.9094 16.4234 16.6500 16.9926 17.0648 k = 0.4286-0.2997-0.3288 ( 1336 PWs) bands (ev): -42.4716 -42.4716 -19.0049 -19.0049 -18.8750 -18.8750 -18.6510 -18.6510 10.2771 10.2771 10.7417 10.7417 11.7987 11.7987 11.8371 11.8371 13.0709 13.0709 13.7279 13.7279 14.7927 14.7927 15.5444 15.5444 15.8598 15.8598 16.6201 16.6201 16.7577 16.7577 k =-0.5000 0.0000 0.0000 ( 1354 PWs) bands (ev): -42.4898 -42.4470 -19.0659 -19.0045 -18.8559 -18.8446 -18.6774 -18.6599 10.6235 11.2624 11.3675 11.5234 11.6257 11.8020 11.9928 12.1173 12.3530 12.6647 12.6680 13.1937 13.3042 13.3911 14.5571 14.6112 15.1515 15.3311 16.8211 17.4387 17.9992 19.2153 k =-0.5000 0.0000 0.0658 ( 1334 PWs) bands (ev): -42.4887 -42.4481 -19.0641 -19.0059 -18.8527 -18.8420 -18.6785 -18.6618 10.6201 11.2489 11.3187 11.5384 11.5961 11.8374 12.0652 12.1039 12.4371 12.5196 12.7524 13.1077 13.2819 13.4997 14.5513 14.6152 15.1006 15.5280 16.8198 17.2821 17.9691 19.2342 k =-0.5000 0.0000 0.1315 ( 1334 PWs) bands (ev): -42.4856 -42.4511 -19.0589 -19.0095 -18.8468 -18.8366 -18.6842 -18.6688 10.6230 11.2185 11.2329 11.5325 11.5845 11.8804 12.0927 12.1753 12.2701 12.6656 12.7992 13.0728 13.2757 13.6859 14.4538 14.7542 14.9533 15.9843 16.8173 16.8974 17.8693 19.2453 k =-0.5000 0.0000 0.1973 ( 1340 PWs) bands (ev): -42.4809 -42.4558 -19.0510 -19.0154 -18.8387 -18.8304 -18.6910 -18.6790 10.6609 11.1694 11.1861 11.3956 11.6640 11.8657 12.1006 12.1656 12.1773 12.5534 12.9815 13.3666 13.3772 13.8543 14.3577 14.7232 14.9350 16.4114 16.5809 16.8438 17.6814 19.2281 k =-0.5000 0.0000 0.2631 ( 1336 PWs) bands (ev): -42.4749 -42.4617 -19.0412 -19.0228 -18.8301 -18.8250 -18.6961 -18.6893 10.7599 11.1406 11.1583 11.1622 11.7773 11.9024 12.0673 12.1026 12.1766 12.3165 13.3002 13.5122 13.7164 13.9942 14.2583 14.4342 15.1628 15.9201 16.9302 17.2809 17.4046 18.9458 k =-0.5000 0.0000-0.3288 ( 1344 PWs) bands (ev): -42.4683 -42.4683 -19.0317 -19.0317 -18.8252 -18.8252 -18.6960 -18.6960 10.9308 10.9308 11.1403 11.1403 11.9184 11.9184 12.0187 12.0187 12.2041 12.2041 13.5061 13.5061 14.0351 14.0351 14.1838 14.1838 15.4873 15.4873 17.1189 17.1189 18.0705 18.0705 k =-0.5000 0.0599 0.0000 ( 1354 PWs) bands (ev): -42.4892 -42.4476 -19.0650 -19.0058 -18.8529 -18.8410 -18.6795 -18.6640 10.6174 11.2329 11.3604 11.4886 11.5413 11.7913 12.0793 12.1588 12.3496 12.4362 12.9376 13.0696 13.3636 13.4993 14.5428 14.6018 15.3051 15.3557 16.8084 17.3690 17.9123 19.2039 k =-0.5000 0.0599 0.0658 ( 1350 PWs) bands (ev): -42.4882 -42.4486 -19.0632 -19.0068 -18.8541 -18.8361 -18.6838 -18.6634 10.6039 11.1726 11.3600 11.5166 11.5437 11.8278 12.0080 12.0884 12.4798 12.5889 12.7778 13.1053 13.3455 13.5580 14.4864 14.6582 15.3017 15.4903 16.8053 17.2008 17.9282 19.2079 k =-0.5000 0.0599 0.1315 ( 1346 PWs) bands (ev): -42.4852 -42.4515 -19.0579 -19.0103 -18.8535 -18.8279 -18.6924 -18.6645 10.5835 11.0912 11.3149 11.5423 11.5690 11.7618 11.9210 12.1457 12.5359 12.7605 12.8422 13.0571 13.3524 13.7128 14.3907 14.7984 15.1450 15.9317 16.7778 16.8495 17.8870 19.1991 k =-0.5000 0.0599 0.1973 ( 1344 PWs) bands (ev): -42.4805 -42.4561 -19.0502 -19.0159 -18.8488 -18.8226 -18.6984 -18.6698 10.5959 11.0479 11.2368 11.3580 11.6486 11.7003 12.0308 12.1455 12.3926 12.6801 13.1015 13.3616 13.4722 13.8677 14.2966 14.8996 14.9770 16.3677 16.5168 16.8300 17.7249 19.1634 k =-0.5000 0.0599 0.2631 ( 1334 PWs) bands (ev): -42.4747 -42.4618 -19.0409 -19.0230 -18.8403 -18.8232 -18.6975 -18.6790 10.6741 11.0496 11.0709 11.1559 11.7622 11.8066 12.0449 12.0856 12.2987 12.4947 13.4334 13.6299 13.7410 14.0037 14.2040 14.5880 15.1947 15.9099 16.9182 17.2056 17.4387 18.8283 k =-0.5000 0.0599-0.3288 ( 1348 PWs) bands (ev): -42.4683 -42.4683 -19.0316 -19.0316 -18.8311 -18.8311 -18.6903 -18.6903 10.8332 10.8332 11.0892 11.0892 11.9016 11.9016 11.9620 11.9620 12.3624 12.3624 13.6399 13.6399 14.0226 14.0226 14.2648 14.2648 15.5003 15.5003 17.1249 17.1249 17.9792 17.9792 k =-0.5000 0.1199 0.0000 ( 1346 PWs) bands (ev): -42.4877 -42.4491 -19.0619 -19.0083 -18.8454 -18.8305 -18.6861 -18.6746 10.6032 11.1705 11.3420 11.3640 11.4150 11.7598 12.2230 12.2628 12.2891 12.3406 12.8929 13.2287 13.5152 13.6595 14.4403 14.7228 15.2296 15.8215 16.7746 17.1812 17.6618 19.1772 k =-0.5000 0.1199 0.0658 ( 1354 PWs) bands (ev): -42.4867 -42.4500 -19.0604 -19.0095 -18.8520 -18.8236 -18.6949 -18.6676 10.5647 11.0848 11.3076 11.3784 11.5259 11.8152 11.9248 12.1147 12.5691 12.6263 12.7607 13.2945 13.5103 13.6772 14.3966 14.7796 15.3804 15.7604 16.7599 17.0066 17.7670 19.1465 k =-0.5000 0.1199 0.1315 ( 1350 PWs) bands (ev): -42.4840 -42.4527 -19.0555 -19.0123 -18.8585 -18.8170 -18.7027 -18.6607 10.4925 10.9702 11.2686 11.3939 11.5894 11.6002 11.9949 12.0745 12.5329 12.9523 13.0016 13.2560 13.5524 13.7762 14.3126 14.9206 15.5647 15.7868 16.6070 16.8097 17.8714 19.0611 k =-0.5000 0.1199 0.1973 ( 1338 PWs) bands (ev): -42.4796 -42.4570 -19.0480 -19.0167 -18.8593 -18.8197 -18.7005 -18.6597 10.4555 10.9098 11.1538 11.1805 11.5768 11.6472 12.0708 12.1872 12.3342 13.0441 13.4078 13.4251 13.7195 13.9049 14.2284 15.0940 15.2799 16.2539 16.3330 16.7969 17.8187 18.9400 k =-0.5000 0.1199 0.2631 ( 1338 PWs) bands (ev): -42.4742 -42.4623 -19.0397 -19.0234 -18.8544 -18.8308 -18.6898 -18.6650 10.4953 10.8554 10.9121 11.0671 11.7134 11.7390 11.9905 12.1002 12.4254 12.8522 13.7817 13.8198 13.9355 14.0410 14.1783 14.9034 15.2844 15.8793 16.8812 16.9885 17.5258 18.4976 k =-0.5000 0.1199-0.3288 ( 1348 PWs) bands (ev): -42.4683 -42.4683 -19.0312 -19.0312 -18.8443 -18.8443 -18.6768 -18.6768 10.6289 10.6289 10.9694 10.9694 11.8640 11.8640 11.8953 11.8953 12.6409 12.6409 13.9920 13.9920 14.0107 14.0107 14.4791 14.4791 15.5368 15.5368 17.1323 17.1323 17.7184 17.7184 k =-0.5000 0.1798 0.0000 ( 1344 PWs) bands (ev): -42.4856 -42.4512 -19.0573 -19.0123 -18.8361 -18.8157 -18.6959 -18.6889 10.5908 11.1106 11.1798 11.3199 11.3414 11.7145 12.1518 12.2614 12.3300 12.5481 12.7548 13.5102 13.6960 13.8218 14.3421 14.8914 15.1165 16.4226 16.7269 16.9363 17.3029 19.1529 k =-0.5000 0.1798 0.0658 ( 1348 PWs) bands (ev): -42.4848 -42.4520 -19.0559 -19.0129 -18.8453 -18.8111 -18.7055 -18.6758 10.5229 11.0287 11.1787 11.2003 11.5474 11.8127 11.8909 12.1173 12.4950 12.6935 12.8546 13.6059 13.7118 13.8139 14.3270 14.9468 15.2102 16.3516 16.6524 16.8211 17.4650 19.0841 k =-0.5000 0.1798 0.1315 ( 1350 PWs) bands (ev): -42.4823 -42.4544 -19.0516 -19.0153 -18.8577 -18.8141 -18.7049 -18.6622 10.3982 10.8860 11.1285 11.1524 11.5970 11.6667 11.9874 12.0772 12.4684 12.8631 13.3091 13.7173 13.8053 13.8495 14.2735 15.0882 15.5004 16.1522 16.3931 16.7730 17.6876 18.8732 k =-0.5000 0.1798 0.1973 ( 1334 PWs) bands (ev): -42.4784 -42.4582 -19.0451 -19.0187 -18.8647 -18.8273 -18.6921 -18.6542 10.3166 10.8008 10.9098 11.0660 11.5510 11.6719 11.9837 12.2303 12.4031 13.0908 13.7790 13.7981 13.9981 14.0356 14.1935 15.2633 15.6940 16.1093 16.1097 16.7553 17.8430 18.4811 k =-0.5000 0.1798 0.2631 ( 1336 PWs) bands (ev): -42.4736 -42.4629 -19.0378 -19.0240 -18.8650 -18.8442 -18.6759 -18.6546 10.3233 10.6391 10.7880 10.9460 11.6630 11.7244 11.9278 12.0426 12.6523 13.0760 13.9084 14.0884 14.2383 14.3270 14.3315 15.2978 15.4246 15.8376 16.6690 16.8121 17.6323 18.0215 k =-0.5000 0.1798-0.3288 ( 1328 PWs) bands (ev): -42.4682 -42.4682 -19.0305 -19.0305 -18.8578 -18.8578 -18.6616 -18.6616 10.4326 10.4326 10.8421 10.8421 11.8244 11.8244 11.8386 11.8386 12.8959 12.8959 14.0059 14.0059 14.4591 14.4591 14.8012 14.8012 15.5960 15.5960 17.1034 17.1034 17.3335 17.3335 k =-0.5000 0.2398 0.0000 ( 1356 PWs) bands (ev): -42.4837 -42.4530 -19.0531 -19.0163 -18.8272 -18.8009 -18.7054 -18.7052 10.5881 11.0402 11.0701 11.2901 11.3026 11.6743 12.0944 12.2754 12.3216 12.6742 12.7759 13.7348 13.8359 13.9756 14.2372 14.9995 15.0523 16.6932 16.7182 16.9587 17.0845 18.8147 k =-0.5000 0.2398 0.0658 ( 1358 PWs) bands (ev): -42.4830 -42.4538 -19.0518 -19.0171 -18.8364 -18.8050 -18.7092 -18.6884 10.4953 11.0123 11.0293 11.1046 11.5548 11.8155 11.8692 12.1115 12.4407 12.6445 13.0741 13.8258 13.8754 13.9940 14.2785 15.0136 15.1049 16.4853 16.7450 17.0010 17.1286 18.7320 k =-0.5000 0.2398 0.1315 ( 1352 PWs) bands (ev): -42.4808 -42.4559 -19.0479 -19.0186 -18.8518 -18.8204 -18.6971 -18.6699 10.3324 10.8439 10.9557 11.0544 11.6024 11.7308 11.9029 12.1011 12.5031 12.7449 13.5811 13.9016 14.0266 14.0859 14.3621 15.1618 15.2473 16.2181 16.7507 16.7585 17.3463 18.4758 k =-0.5000 0.2398 0.1973 ( 1342 PWs) bands (ev): -42.4773 -42.4593 -19.0423 -19.0214 -18.8642 -18.8400 -18.6785 -18.6561 10.2213 10.7360 10.7454 10.9696 11.5409 11.7030 11.9077 12.1526 12.6220 12.9818 13.9174 14.1344 14.1673 14.3302 14.4201 15.4428 15.5362 15.9792 16.4116 16.7351 17.5081 18.0515 k =-0.5000 0.2398 0.2631 ( 1332 PWs) bands (ev): -42.4730 -42.4635 -19.0361 -19.0250 -18.8700 -18.8571 -18.6621 -18.6495 10.2065 10.4919 10.7070 10.8512 11.6346 11.7187 11.8777 11.9897 12.8675 13.1196 13.9438 14.0998 14.6308 14.6981 14.7190 15.6142 15.6265 15.8007 16.3898 16.7253 17.4584 17.5111 k =-0.5000 0.2398-0.3288 ( 1320 PWs) bands (ev): -42.4682 -42.4682 -19.0300 -19.0300 -18.8673 -18.8673 -18.6514 -18.6514 10.2998 10.2998 10.7514 10.7514 11.7954 11.7954 11.7991 11.7991 13.0628 13.0628 14.0047 14.0047 14.8946 14.8946 15.1650 15.1650 15.6936 15.6936 16.9217 16.9217 16.9614 16.9614 k =-0.5000-0.2997 0.0000 ( 1364 PWs) bands (ev): -42.4830 -42.4538 -19.0516 -19.0182 -18.8235 -18.7937 -18.7130 -18.7094 10.5900 10.9865 11.0559 11.2720 11.2961 11.6583 12.0772 12.2779 12.3185 12.6485 12.8709 13.8268 13.8863 14.0983 14.1325 14.9444 15.1235 16.6263 16.7338 16.7636 17.5490 18.3263 k =-0.5000-0.2997 0.0658 ( 1364 PWs) bands (ev): -42.4822 -42.4545 -19.0496 -19.0189 -18.8315 -18.8049 -18.7047 -18.6991 10.4867 10.9742 11.0290 11.0489 11.5558 11.8191 11.8579 12.1084 12.4241 12.6263 13.1684 13.8852 13.9375 14.1090 14.2694 14.9040 15.1741 16.4075 16.7423 16.9611 17.4496 18.2553 k =-0.5000-0.2997 0.1315 ( 1352 PWs) bands (ev): -42.4801 -42.4565 -19.0462 -19.0199 -18.8465 -18.8262 -18.6870 -18.6796 10.3094 10.8335 10.8960 11.0156 11.6043 11.7733 11.8517 12.0953 12.6087 12.6233 13.6935 13.9244 14.1188 14.1403 14.6964 14.8100 15.3164 16.1486 16.7633 17.1467 17.1623 18.0396 k =-0.5000-0.2997 0.1973 ( 1332 PWs) bands (ev): -42.4768 -42.4597 -19.0411 -19.0222 -18.8609 -18.8474 -18.6676 -18.6613 10.1879 10.6885 10.7156 10.9327 11.5377 11.7209 11.8731 12.1243 12.8086 12.8311 13.9358 14.1644 14.2656 14.4656 14.7627 15.2453 15.5371 15.9203 16.7338 16.7681 17.2186 17.6858 k =-0.5000-0.2997 0.2631 ( 1328 PWs) bands (ev): -42.4727 -42.4637 -19.0354 -19.0256 -18.8701 -18.8631 -18.6541 -18.6504 10.1658 10.4406 10.6794 10.8161 11.6251 11.7180 11.8580 11.9697 13.0026 13.0658 13.9524 14.1027 14.7779 14.9050 14.9485 15.6411 15.7493 15.7824 16.3935 16.7107 17.1113 17.2224 k =-0.5000-0.2997-0.3288 ( 1320 PWs) bands (ev): -42.4682 -42.4682 -19.0297 -19.0297 -18.8708 -18.8708 -18.6479 -18.6479 10.2533 10.2533 10.7189 10.7189 11.7848 11.7848 11.7848 11.7848 13.1197 13.1197 14.0045 14.0045 15.0754 15.0754 15.3612 15.3612 15.7879 15.7879 16.7079 16.7079 16.8149 16.8149 the Fermi energy is 14.4487 ev ! total energy = -405.20114891 Ry Harris-Foulkes estimate = -405.20114891 Ry estimated scf accuracy < 1.8E-11 Ry The total energy is the sum of the following terms: one-electron contribution = -84.11740553 Ry hartree contribution = 78.44385443 Ry xc contribution = -89.27068593 Ry ewald contribution = -310.25453876 Ry smearing contrib. (-TS) = -0.00237313 Ry convergence has been achieved in 10 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 0.00011216 0.00000000 atom 2 type 2 force = 0.00000000 0.00011058 0.00000000 atom 3 type 1 force = 0.00000000 -0.00011216 0.00000000 atom 4 type 2 force = 0.00000000 -0.00011058 0.00000000 Total force = 0.000223 Total SCF correction = 0.000019 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -20.59 -0.00010680 0.00000000 0.00000000 -15.71 0.00 0.00 0.00000000 -0.00020189 0.00000000 0.00 -29.70 0.00 0.00000000 0.00000000 -0.00011124 0.00 0.00 -16.36 bfgs converged in 5 scf cycles and 1 bfgs steps (criteria: energy < 0.10E-03, force < 0.20E-03) End of BFGS Geometry Optimization Final energy = -405.2011489130 Ry Begin final coordinates ATOMIC_POSITIONS (crystal) Ti 0.000000000 0.030615585 0.000000000 Ni 0.500000000 -0.065591451 0.500000000 Ti 0.000000000 0.469384415 0.500000000 Ni 0.500000000 0.565591451 0.000000000 End final coordinates Writing output data file pwscf.save init_run : 19.55s CPU 19.78s WALL ( 1 calls) electrons : 5149.49s CPU 5309.11s WALL ( 5 calls) update_pot : 3.00s CPU 3.12s WALL ( 4 calls) forces : 33.76s CPU 34.83s WALL ( 5 calls) stress : 101.71s CPU 104.46s WALL ( 5 calls) Called by init_run: wfcinit : 16.97s CPU 17.15s WALL ( 1 calls) potinit : 0.33s CPU 0.34s WALL ( 1 calls) Called by electrons: c_bands : 4363.76s CPU 4498.83s WALL ( 87 calls) sum_band : 719.25s CPU 739.69s WALL ( 87 calls) v_of_rho : 8.05s CPU 8.24s WALL ( 91 calls) newd : 59.77s CPU 60.69s WALL ( 91 calls) mix_rho : 1.08s CPU 1.12s WALL ( 87 calls) Called by c_bands: init_us_2 : 71.25s CPU 72.66s WALL ( 53280 calls) cegterg : 4051.04s CPU 4120.93s WALL ( 25056 calls) Called by *egterg: h_psi : 2715.88s CPU 2763.36s WALL ( 84591 calls) s_psi : 252.82s CPU 257.19s WALL ( 84591 calls) g_psi : 34.21s CPU 34.71s WALL ( 59247 calls) cdiaghg : 271.76s CPU 276.07s WALL ( 82863 calls) Called by h_psi: add_vuspsi : 259.56s CPU 264.11s WALL ( 84591 calls) General routines calbec : 363.05s CPU 369.15s WALL ( 112527 calls) cft3 : 5.37s CPU 5.44s WALL ( 1569 calls) cft3s : 2090.63s CPU 2126.16s WALL ( 4400116 calls) interpolate : 0.89s CPU 0.90s WALL ( 178 calls) davcio : 0.92s CPU 69.43s WALL ( 78336 calls) PWSCF : 1h28m CPU time, 1h31m WALL time This run was terminated on: 6:31:27 29Jul2010 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=