Program PWSCF v.5.0 starts on 12Nov2013 at 14:23: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "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/quote.php Parallel version (MPI), running on 1 processors 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... Reading input from standard input Warning: card } ignored ------------------------------------- Parameters for Dispersion Correction: ------------------------------------- atom VdW radius C_6 C 2.744 60.710 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 421 241 85 17703 7643 1467 bravais-lattice index = 4 lattice parameter (alat) = 4.6448 a.u. unit-cell volume = 222.5207 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 12 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 280.0000 Ry convergence threshold = 1.0E-06 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = SLA PW PBE PBE ( 1 4 3 4 0) EXX-fraction = 0.00 celldm(1)= 4.644790 celldm(2)= 1.000000 celldm(3)= 2.564139 celldm(4)= -0.500000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.564139 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 0.000000 ) b(3) = ( 0.000000 -0.000000 0.389994 ) PseudoPot. # 1 for C read from file: ./C.pbe-van_zk.UPF MD5 check sum: 2affe7eb1fafbf53155b35c11f22b1b4 Pseudo is Ultrasoft, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 721 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 8 coefficients, rinner = 0.800 0.800 0.800 atomic species valence mass pseudopotential C 4.00 12.01070 C ( 1.00) Starting magnetic structure atomic species magnetization C 0.010 No symmetry found Cartesian axes site n. atom positions (alat units) 1 C tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) 2 C tau( 2) = ( 0.0000000 0.0000000 0.2034538 ) 3 C tau( 3) = ( 0.2712717 0.1356358 0.2034538 ) 4 C tau( 4) = ( 0.2034538 0.2712717 0.2034538 ) number of k points= 564 Methfessel-Paxton smearing, width (Ry)= 0.0300 Number of k-points >= 100: set verbosity='high' to print them. Dense grid: 17703 G-vectors FFT dimensions: ( 25, 25, 64) Smooth grid: 7643 G-vectors FFT dimensions: ( 20, 20, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 975, 12) NL pseudopotentials 0.48 Mb ( 975, 32) Each V/rho on FFT grid 1.22 Mb ( 40000, 2) Each G-vector array 0.14 Mb ( 17703) G-vector shells 0.01 Mb ( 945) Largest temporary arrays est. size (Mb) dimensions Each subspace H/S matrix 0.00 Mb ( 12, 12) Each matrix 0.01 Mb ( 32, 12) Arrays for rho mixing 4.88 Mb ( 40000, 8) Initial potential from superposition of free atoms starting charge 15.99984, renormalised to 16.00000 Starting wfc are 16 randomized atomic wfcs total cpu time spent up to now is 16.4 secs per-process dynamical memory: 26.6 Mb Self-consistent Calculation iteration # 1 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 1.00E-02, avg # of iterations = 5.6 negative rho (up, down): 0.177E-03 0.184E-03 total cpu time spent up to now is 72.7 secs total energy = -4.77948621 Ry Harris-Foulkes estimate = -19.85430293 Ry estimated scf accuracy < 19.85339944 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.01 Bohr mag/cell iteration # 2 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 1.00E-02, avg # of iterations = 7.1 total cpu time spent up to now is 145.4 secs total energy = -7.56303003 Ry Harris-Foulkes estimate = -16.90360148 Ry estimated scf accuracy < 17.66103623 Ry total magnetization = 0.03 Bohr mag/cell absolute magnetization = 0.03 Bohr mag/cell iteration # 3 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 1.00E-02, avg # of iterations = 6.1 total cpu time spent up to now is 212.3 secs total energy = -12.61098934 Ry Harris-Foulkes estimate = -13.21062738 Ry estimated scf accuracy < 1.23539734 Ry total magnetization = -0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 4 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 7.72E-03, avg # of iterations = 3.2 total cpu time spent up to now is 248.9 secs total energy = -12.65669483 Ry Harris-Foulkes estimate = -12.75115785 Ry estimated scf accuracy < 0.22371935 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 5 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 1.40E-03, avg # of iterations = 3.5 negative rho (up, down): 0.653E-05 0.656E-05 total cpu time spent up to now is 288.9 secs total energy = -12.63929949 Ry Harris-Foulkes estimate = -12.67713279 Ry estimated scf accuracy < 0.06113225 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 6 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 3.82E-04, avg # of iterations = 3.9 total cpu time spent up to now is 333.4 secs total energy = -12.65369440 Ry Harris-Foulkes estimate = -12.66998750 Ry estimated scf accuracy < 0.05075850 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 7 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 3.17E-04, avg # of iterations = 3.1 total cpu time spent up to now is 370.0 secs total energy = -12.66038339 Ry Harris-Foulkes estimate = -12.66091318 Ry estimated scf accuracy < 0.00099315 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 8 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 6.21E-06, avg # of iterations = 4.9 total cpu time spent up to now is 425.7 secs total energy = -12.66076539 Ry Harris-Foulkes estimate = -12.66132358 Ry estimated scf accuracy < 0.00122531 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 9 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 6.21E-06, avg # of iterations = 3.3 total cpu time spent up to now is 463.7 secs total energy = -12.66102312 Ry Harris-Foulkes estimate = -12.66102906 Ry estimated scf accuracy < 0.00001467 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 10 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 9.17E-08, avg # of iterations = 4.0 total cpu time spent up to now is 509.5 secs total energy = -12.66103119 Ry Harris-Foulkes estimate = -12.66103243 Ry estimated scf accuracy < 0.00000263 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell iteration # 11 ecut= 40.00 Ry beta=0.70 CG style diagonalization ethr = 1.64E-08, avg # of iterations = 3.6 total cpu time spent up to now is 550.7 secs End of self-consistent calculation ------ SPIN UP ------------ k = 0.0000 0.0000 0.0000 ( 971 PWs) bands (ev): -37.4710 -26.8323 -24.1916 -18.2037 -6.1905 -2.7937 -0.1122 6.2174 8.2976 9.2671 11.8942 16.2487 k = 0.0000-0.0321 0.0000 ( 975 PWs) bands (ev): -37.4799 -26.8301 -24.2265 -18.1581 -6.2456 -2.7772 -0.1044 6.2042 8.3036 9.2868 11.9093 16.1977 k = 0.0000-0.0642 0.0000 ( 956 PWs) bands (ev): -37.4625 -26.8136 -24.2817 -18.0075 -6.3634 -2.7105 -0.0698 6.1782 8.3311 9.3509 11.9633 16.0640 k = 0.0000-0.0962 0.0000 ( 950 PWs) bands (ev): -37.4448 -26.7976 -24.3948 -17.7777 -6.5850 -2.6367 -0.0181 6.1200 8.3774 9.4506 12.0473 15.8744 k = 0.0000-0.1283 0.0000 ( 948 PWs) bands (ev): -37.4257 -26.7771 -24.5517 -17.4774 -6.8690 -2.5712 0.0551 6.0257 8.4549 9.5854 12.1619 15.6586 k = 0.0000-0.1604 0.0000 ( 944 PWs) bands (ev): -37.4055 -26.7510 -24.7322 -17.1159 -7.1875 -2.5201 0.1498 5.8974 8.5717 9.7508 12.3021 15.4397 k = 0.0000-0.1925 0.0000 ( 956 PWs) bands (ev): -37.3954 -26.7284 -24.9399 -16.7223 -7.5397 -2.5017 0.2580 5.7280 8.7241 9.9420 12.4558 15.2353 k = 0.0000-0.2245 0.0000 ( 958 PWs) bands (ev): -37.3747 -26.7001 -25.1380 -16.2896 -7.8954 -2.4983 0.3862 5.5329 8.9148 10.1584 12.6225 15.0713 k = 0.0000-0.2566 0.0000 ( 958 PWs) bands (ev): -37.3494 -26.6703 -25.3277 -15.8356 -8.2502 -2.5094 0.5285 5.3176 9.1321 10.3936 12.7839 14.9704 k = 0.0000-0.2887 0.0000 ( 948 PWs) bands (ev): -37.3190 -26.6362 -25.4940 -15.3665 -8.5938 -2.5200 0.6791 5.0933 9.3601 10.6463 12.9285 14.9575 k = 0.0000-0.3208 0.0000 ( 948 PWs) bands (ev): -37.2932 -26.6085 -25.6594 -14.8976 -8.9335 -2.5510 0.8257 4.8576 9.5690 10.9209 13.0426 15.0428 k = 0.0000-0.3528 0.0000 ( 942 PWs) bands (ev): -37.2644 -26.5831 -25.7954 -14.4336 -9.2567 -2.5741 0.9719 4.6314 9.7296 11.2354 13.1428 15.2201 k = 0.0000-0.3849 0.0000 ( 946 PWs) bands (ev): -37.2404 -26.5696 -25.9231 -13.9881 -9.5764 -2.6007 1.0975 4.4098 9.8142 11.6030 13.2401 15.4581 k = 0.0000-0.4170 0.0000 ( 952 PWs) bands (ev): -37.2207 -26.5649 -26.0301 -13.5714 -9.8757 -2.6347 1.2121 4.2058 9.8260 12.0270 13.3418 15.7272 k = 0.0000-0.4491 0.0000 ( 948 PWs) bands (ev): -37.2004 -26.5643 -26.0952 -13.1734 -10.1545 -2.6402 1.3134 4.0309 9.7863 12.4950 13.4503 15.9880 k = 0.0000-0.4811 0.0000 ( 952 PWs) bands (ev): -37.1922 -26.5719 -26.1469 -12.8179 -10.4206 -2.6477 1.3905 3.8852 9.7201 12.9693 13.5658 16.1818 k = 0.0000-0.5132 0.0000 ( 948 PWs) bands (ev): -37.1747 -26.5839 -26.1675 -12.5072 -10.6512 -2.6423 1.4527 3.7781 9.6556 13.3498 13.7468 16.2257 k = 0.0000-0.5453 0.0000 ( 950 PWs) bands (ev): -37.1699 -26.5945 -26.1813 -12.2849 -10.8305 -2.6408 1.4858 3.7101 9.6085 13.5034 14.0388 16.1060 k = 0.0000-0.5774 0.0000 ( 960 PWs) bands (ev): -37.1717 -26.6071 -26.1952 -12.2069 -10.9026 -2.6582 1.4857 3.6848 9.5898 13.5329 14.1902 16.0141 k = 0.0303-0.5774 0.0000 ( 952 PWs) bands (ev): -37.1709 -26.6052 -26.1881 -12.2749 -10.7952 -2.6506 1.4933 3.6922 9.5345 13.5055 14.2293 16.0310 k = 0.0606-0.5774 0.0000 ( 944 PWs) bands (ev): -37.1682 -26.6053 -26.1799 -12.4432 -10.5244 -2.6367 1.4986 3.7099 9.3739 13.4219 14.3341 16.0837 k = 0.0909-0.5774 0.0000 ( 950 PWs) bands (ev): -37.1814 -26.6221 -26.1791 -12.6505 -10.1736 -2.6446 1.4923 3.7333 9.1300 13.2720 14.4832 16.1778 k = 0.1212-0.5774 0.0000 ( 950 PWs) bands (ev): -37.1939 -26.6395 -26.1721 -12.8460 -9.7733 -2.6368 1.4850 3.7698 8.8355 13.0655 14.6637 16.3269 k = 0.1515-0.5774 0.0000 ( 948 PWs) bands (ev): -37.2092 -26.6634 -26.1602 -13.0203 -9.3518 -2.6163 1.4785 3.8145 8.5175 12.8018 14.8690 16.5280 k = 0.1818-0.5774 0.0000 ( 948 PWs) bands (ev): -37.2291 -26.6947 -26.1419 -13.1697 -8.9215 -2.5916 1.4674 3.8641 8.1981 12.4882 15.0962 16.7718 k = 0.2121-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2429 -26.7285 -26.1125 -13.2922 -8.4920 -2.5404 1.4584 3.9190 7.8976 12.1421 15.3435 17.0308 k = 0.2424-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2679 -26.7666 -26.0825 -13.4028 -8.0823 -2.4696 1.4436 3.9710 7.6282 11.7748 15.6039 17.1864 k = 0.2727-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2848 -26.8101 -26.0479 -13.4956 -7.6963 -2.3771 1.4119 4.0218 7.3992 11.3970 15.8612 17.1298 k = 0.3030-0.5774 0.0000 ( 942 PWs) bands (ev): -37.3129 -26.8562 -26.0113 -13.5852 -7.3399 -2.2654 1.3714 4.0652 7.2129 11.0233 16.0711 16.9900 k = 0.3333-0.5774 0.0000 ( 933 PWs) bands (ev): -37.3271 -26.8881 -25.9647 -13.6697 -7.0171 -2.1036 1.3356 4.1038 7.0728 10.6812 16.1116 16.9089 k = 0.3333-0.5774 0.0325 ( 939 PWs) bands (ev): -37.3302 -26.8948 -25.9683 -13.6719 -7.0199 -2.1111 1.3268 4.1028 7.0700 10.6807 16.1142 16.9117 k = 0.3333-0.5774 0.0650 ( 945 PWs) bands (ev): -37.3323 -26.8987 -25.9733 -13.6750 -7.0289 -2.1221 1.3207 4.1021 7.0662 10.6788 16.1462 16.9149 k = 0.3333-0.5774 0.0975 ( 945 PWs) bands (ev): -37.3325 -26.8988 -25.9729 -13.6751 -7.0289 -2.1222 1.3200 4.1026 7.0651 10.6750 16.1977 16.9226 k = 0.3333-0.5774 0.1300 ( 936 PWs) bands (ev): -37.3364 -26.8946 -25.9629 -13.6729 -7.0253 -2.1109 1.3280 4.1050 7.0651 10.6741 16.2535 16.9368 k = 0.3333-0.5774 0.1625 ( 927 PWs) bands (ev): -37.3331 -26.8880 -25.9557 -13.6693 -7.0183 -2.1001 1.3297 4.1106 7.0676 10.6722 16.2973 16.9523 k = 0.3333-0.5774 0.1950 ( 924 PWs) bands (ev): -37.3318 -26.8873 -25.9549 -13.6673 -7.0147 -2.0994 1.3303 4.1120 7.0694 10.6663 16.3211 16.9559 k = 0.3175-0.5499 0.1950 ( 922 PWs) bands (ev): -37.3213 -26.9430 -25.9861 -13.4279 -7.4029 -1.9739 1.5122 4.1536 7.1733 10.6966 16.2235 17.0968 k = 0.3016-0.5224 0.1950 ( 934 PWs) bands (ev): -37.3202 -27.0052 -26.0204 -13.1785 -7.8513 -1.8989 1.6654 4.1980 7.3286 10.8054 16.0305 16.9030 k = 0.2857-0.4949 0.1950 ( 944 PWs) bands (ev): -37.3197 -27.0554 -26.0488 -12.9247 -8.3381 -1.8445 1.7772 4.2550 7.5387 10.9939 15.7181 16.4140 k = 0.2698-0.4674 0.1950 ( 940 PWs) bands (ev): -37.3191 -27.0723 -26.0513 -12.6636 -8.8283 -1.7858 1.8411 4.3445 7.7924 11.2482 15.2293 16.0010 k = 0.2540-0.4399 0.1950 ( 948 PWs) bands (ev): -37.3208 -27.0939 -26.0623 -12.4417 -9.3107 -1.7747 1.8253 4.4697 8.0690 11.5066 14.6369 15.6844 k = 0.2381-0.4124 0.1950 ( 952 PWs) bands (ev): -37.3241 -27.0891 -26.0667 -12.2946 -9.7211 -1.7749 1.7520 4.6370 8.3494 11.7471 14.0568 15.3899 k = 0.2222-0.3849 0.1950 ( 954 PWs) bands (ev): -37.3306 -27.0606 -26.0618 -12.2943 -9.9717 -1.7813 1.6298 4.8348 8.6133 11.9119 13.5455 15.0909 k = 0.2063-0.3574 0.1950 ( 966 PWs) bands (ev): -37.3569 -27.0251 -26.0547 -12.5254 -10.0055 -1.8180 1.4658 5.0466 8.8389 11.9340 13.1422 14.7900 k = 0.1905-0.3299 0.1950 ( 962 PWs) bands (ev): -37.3643 -26.9668 -26.0166 -12.9272 -9.8348 -1.8389 1.2873 5.2704 9.0151 11.8089 12.8625 14.5119 k = 0.1746-0.3024 0.1950 ( 960 PWs) bands (ev): -37.3747 -26.9090 -25.9528 -13.4357 -9.5461 -1.8705 1.0981 5.4851 9.1133 11.5878 12.6679 14.2768 k = 0.1587-0.2749 0.1950 ( 954 PWs) bands (ev): -37.3823 -26.8590 -25.8595 -14.0015 -9.1927 -1.9190 0.9098 5.6905 9.1211 11.3335 12.5256 14.1064 k = 0.1429-0.2474 0.1950 ( 958 PWs) bands (ev): -37.3960 -26.8231 -25.7333 -14.5917 -8.8159 -1.9808 0.7228 5.8684 9.0450 11.0607 12.4327 14.0195 k = 0.1270-0.2199 0.1950 ( 960 PWs) bands (ev): -37.4093 -26.8011 -25.5669 -15.1820 -8.4229 -2.0527 0.5487 6.0216 8.9147 10.7704 12.3720 14.0358 k = 0.1111-0.1925 0.1950 ( 964 PWs) bands (ev): -37.4244 -26.7901 -25.3784 -15.7530 -8.0224 -2.1470 0.3903 6.1458 8.7588 10.4722 12.3125 14.1645 k = 0.0952-0.1650 0.1950 ( 960 PWs) bands (ev): -37.4357 -26.7902 -25.1510 -16.2986 -7.6249 -2.2413 0.2509 6.2424 8.6052 10.1837 12.2398 14.3965 k = 0.0794-0.1375 0.1950 ( 964 PWs) bands (ev): -37.4469 -26.7975 -24.9232 -16.8099 -7.2524 -2.3579 0.1308 6.3091 8.4668 9.9190 12.1554 14.6998 k = 0.0635-0.1100 0.1950 ( 962 PWs) bands (ev): -37.4569 -26.8047 -24.6984 -17.2669 -6.9095 -2.4756 0.0344 6.3591 8.3533 9.6901 12.0718 15.0441 k = 0.0476-0.0825 0.1950 ( 962 PWs) bands (ev): -37.4649 -26.8128 -24.4894 -17.6539 -6.6122 -2.5912 -0.0402 6.3879 8.2665 9.5047 11.9981 15.3994 k = 0.0317-0.0550 0.1950 ( 960 PWs) bands (ev): -37.4695 -26.8184 -24.3131 -17.9496 -6.3735 -2.6906 -0.0918 6.4048 8.2071 9.3687 11.9413 15.7356 k = 0.0159-0.0275 0.1950 ( 952 PWs) bands (ev): -37.4695 -26.8212 -24.1949 -18.1335 -6.2145 -2.7584 -0.1191 6.4163 8.1751 9.2859 11.9063 16.0065 k = 0.0000 0.0000 0.1950 ( 948 PWs) bands (ev): -37.4719 -26.8192 -24.1503 -18.1979 -6.1526 -2.7819 -0.1266 6.4199 8.1674 9.2582 11.8942 16.1219 k = 0.0000-0.0321 0.1950 ( 954 PWs) bands (ev): -37.4697 -26.8202 -24.1905 -18.1520 -6.2139 -2.7647 -0.1206 6.4030 8.1701 9.2789 11.9186 16.0559 k = 0.0000-0.0642 0.1950 ( 956 PWs) bands (ev): -37.4570 -26.8117 -24.2720 -18.0087 -6.3642 -2.7125 -0.0925 6.3583 8.1932 9.3427 11.9921 15.8874 k = 0.0000-0.0962 0.1950 ( 964 PWs) bands (ev): -37.4556 -26.8000 -24.4143 -17.7858 -6.5986 -2.6513 -0.0452 6.2739 8.2401 9.4471 12.1101 15.6546 k = 0.0000-0.1283 0.1950 ( 964 PWs) bands (ev): -37.4358 -26.7812 -24.5687 -17.4872 -6.8784 -2.5881 0.0278 6.1577 8.3211 9.5947 12.2691 15.3896 k = 0.0000-0.1604 0.1950 ( 966 PWs) bands (ev): -37.4208 -26.7583 -24.7533 -17.1306 -7.2014 -2.5410 0.1215 6.0038 8.4373 9.7821 12.4638 15.1074 k = 0.0000-0.1925 0.1950 ( 956 PWs) bands (ev): -37.3957 -26.7274 -24.9318 -16.7254 -7.5353 -2.4966 0.2410 5.8240 8.5928 10.0082 12.6895 14.8246 k = 0.0000-0.2245 0.1950 ( 960 PWs) bands (ev): -37.3741 -26.6991 -25.1347 -16.2926 -7.8911 -2.4961 0.3722 5.6082 8.7758 10.2662 12.9380 14.5491 k = 0.0000-0.2566 0.1950 ( 956 PWs) bands (ev): -37.3469 -26.6666 -25.3178 -15.8368 -8.2441 -2.5041 0.5169 5.3785 8.9834 10.5529 13.2052 14.3016 k = 0.0000-0.2887 0.1950 ( 958 PWs) bands (ev): -37.3217 -26.6395 -25.5026 -15.3702 -8.5971 -2.5337 0.6619 5.1347 9.1970 10.8594 13.4696 14.1069 k = 0.0000-0.3208 0.1950 ( 950 PWs) bands (ev): -37.2964 -26.6096 -25.6585 -14.9009 -8.9312 -2.5493 0.8109 4.8961 9.4000 11.1878 13.6556 14.0577 k = 0.0000-0.3528 0.1950 ( 950 PWs) bands (ev): -37.2716 -26.5870 -25.8042 -14.4393 -9.2595 -2.5804 0.9511 4.6578 9.5645 11.5388 13.6676 14.2487 k = 0.0000-0.3849 0.1950 ( 950 PWs) bands (ev): -37.2476 -26.5691 -25.9274 -13.9944 -9.5737 -2.5978 1.0826 4.4286 9.6724 11.9183 13.6640 14.5242 k = 0.0000-0.4170 0.1950 ( 958 PWs) bands (ev): -37.2289 -26.5674 -26.0339 -13.5770 -9.8755 -2.6346 1.1973 4.2188 9.7142 12.3203 13.7193 14.7942 k = 0.0000-0.4491 0.1950 ( 954 PWs) bands (ev): -37.2048 -26.5680 -26.0995 -13.1820 -10.1553 -2.6427 1.3021 4.0419 9.7041 12.7236 13.8572 15.0346 k = 0.0000-0.4811 0.1950 ( 958 PWs) bands (ev): -37.1942 -26.5819 -26.1466 -12.8258 -10.4219 -2.6553 1.3811 3.8916 9.6610 13.0668 14.0909 15.2279 k = 0.0000-0.5132 0.1950 ( 958 PWs) bands (ev): -37.1810 -26.5945 -26.1755 -12.5208 -10.6568 -2.6612 1.4433 3.7808 9.6115 13.3011 14.4153 15.3807 k = 0.0000-0.5453 0.1950 ( 952 PWs) bands (ev): -37.1695 -26.5983 -26.1853 -12.2940 -10.8324 -2.6478 1.4813 3.7127 9.5743 13.4285 14.7280 15.5020 k = 0.0000-0.5774 0.1950 ( 948 PWs) bands (ev): -37.1633 -26.6003 -26.1855 -12.2043 -10.9015 -2.6421 1.4965 3.6907 9.5608 13.4685 14.8605 15.5623 k = 0.0000-0.5774 0.1625 ( 950 PWs) bands (ev): -37.1636 -26.6029 -26.1873 -12.2051 -10.9016 -2.6433 1.4959 3.6897 9.5626 13.4722 14.7937 15.5943 k = 0.0000-0.5774 0.1300 ( 954 PWs) bands (ev): -37.1703 -26.6027 -26.1896 -12.2095 -10.9033 -2.6454 1.4938 3.6872 9.5674 13.4824 14.6397 15.6698 k = 0.0000-0.5774 0.0975 ( 948 PWs) bands (ev): -37.1656 -26.5979 -26.1851 -12.2034 -10.9011 -2.6433 1.4964 3.6900 9.5758 13.5015 14.4683 15.7705 k = 0.0000-0.5774 0.0650 ( 954 PWs) bands (ev): -37.1690 -26.6046 -26.1882 -12.2079 -10.9019 -2.6566 1.4949 3.6873 9.5835 13.5156 14.3211 15.8794 k = 0.0000-0.5774 0.0325 ( 950 PWs) bands (ev): -37.1679 -26.6018 -26.1866 -12.1991 -10.9014 -2.6477 1.4985 3.6877 9.5899 13.5309 14.2247 15.9759 k = 0.0000-0.5774 0.0000 ( 960 PWs) bands (ev): -37.1717 -26.6071 -26.1952 -12.2069 -10.9026 -2.6582 1.4857 3.6848 9.5898 13.5329 14.1902 16.0139 k = 0.0000-0.5453 0.0000 ( 950 PWs) bands (ev): -37.1699 -26.5945 -26.1813 -12.2849 -10.8305 -2.6408 1.4858 3.7101 9.6085 13.5034 14.0388 16.1061 k = 0.0000-0.5132 0.0000 ( 948 PWs) bands (ev): -37.1747 -26.5839 -26.1675 -12.5072 -10.6512 -2.6423 1.4527 3.7781 9.6556 13.3498 13.7468 16.2257 k = 0.0000-0.4811 0.0000 ( 952 PWs) bands (ev): -37.1922 -26.5719 -26.1469 -12.8179 -10.4206 -2.6477 1.3905 3.8852 9.7201 12.9693 13.5658 16.1818 k = 0.0000-0.4491 0.0000 ( 948 PWs) bands (ev): -37.2004 -26.5643 -26.0952 -13.1734 -10.1545 -2.6402 1.3134 4.0309 9.7863 12.4950 13.4503 15.9880 k = 0.0000-0.4170 0.0000 ( 952 PWs) bands (ev): -37.2207 -26.5649 -26.0301 -13.5714 -9.8757 -2.6347 1.2121 4.2058 9.8260 12.0270 13.3418 15.7272 k = 0.0000-0.3849 0.0000 ( 946 PWs) bands (ev): -37.2404 -26.5696 -25.9231 -13.9881 -9.5764 -2.6007 1.0975 4.4098 9.8142 11.6030 13.2401 15.4581 k = 0.0000-0.3528 0.0000 ( 942 PWs) bands (ev): -37.2644 -26.5831 -25.7954 -14.4336 -9.2567 -2.5741 0.9719 4.6314 9.7296 11.2354 13.1428 15.2201 k = 0.0000-0.3208 0.0000 ( 948 PWs) bands (ev): -37.2932 -26.6085 -25.6594 -14.8976 -8.9335 -2.5510 0.8257 4.8576 9.5690 10.9209 13.0426 15.0428 k = 0.0000-0.2887 0.0000 ( 948 PWs) bands (ev): -37.3190 -26.6362 -25.4940 -15.3665 -8.5938 -2.5200 0.6791 5.0933 9.3601 10.6463 12.9285 14.9576 k = 0.0000-0.2566 0.0000 ( 958 PWs) bands (ev): -37.3494 -26.6703 -25.3277 -15.8356 -8.2502 -2.5094 0.5285 5.3176 9.1321 10.3936 12.7839 14.9704 k = 0.0000-0.2245 0.0000 ( 958 PWs) bands (ev): -37.3747 -26.7001 -25.1380 -16.2896 -7.8954 -2.4983 0.3862 5.5329 8.9148 10.1584 12.6225 15.0713 k = 0.0000-0.1925 0.0000 ( 956 PWs) bands (ev): -37.3954 -26.7284 -24.9399 -16.7223 -7.5397 -2.5017 0.2580 5.7280 8.7241 9.9420 12.4558 15.2353 k = 0.0000-0.1604 0.0000 ( 944 PWs) bands (ev): -37.4055 -26.7510 -24.7322 -17.1159 -7.1875 -2.5201 0.1498 5.8974 8.5717 9.7508 12.3021 15.4397 k = 0.0000-0.1283 0.0000 ( 948 PWs) bands (ev): -37.4257 -26.7771 -24.5517 -17.4774 -6.8690 -2.5712 0.0551 6.0257 8.4549 9.5854 12.1619 15.6588 k = 0.0000-0.0962 0.0000 ( 950 PWs) bands (ev): -37.4448 -26.7976 -24.3948 -17.7777 -6.5850 -2.6367 -0.0181 6.1200 8.3774 9.4506 12.0473 15.8745 k = 0.0000-0.0642 0.0000 ( 956 PWs) bands (ev): -37.4625 -26.8136 -24.2817 -18.0075 -6.3634 -2.7105 -0.0698 6.1782 8.3311 9.3509 11.9633 16.0640 k = 0.0000-0.0321 0.0000 ( 975 PWs) bands (ev): -37.4799 -26.8301 -24.2265 -18.1581 -6.2456 -2.7772 -0.1044 6.2042 8.3036 9.2868 11.9093 16.1977 k = 0.0000 0.0000 0.0000 ( 971 PWs) bands (ev): -37.4710 -26.8323 -24.1916 -18.2037 -6.1905 -2.7937 -0.1122 6.2174 8.2976 9.2671 11.8942 16.2488 k = 0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4821 -26.8325 -24.2333 -18.1485 -6.2131 -2.7786 -0.1034 6.2164 8.3066 9.2569 11.9033 16.1508 k =-0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4813 -26.8311 -24.2117 -18.1885 -6.1762 -2.7988 -0.1050 6.1922 8.3013 9.2133 11.9069 16.2180 k = 0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4755 -26.8251 -24.3005 -17.9691 -6.2401 -2.7156 -0.0658 6.2290 8.3428 9.2344 11.9376 15.8990 k =-0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4619 -26.8186 -24.2235 -18.1319 -6.0890 -2.7988 -0.0712 6.1333 8.3107 9.0765 11.9577 16.1308 k = 0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4626 -26.8236 -24.4565 -17.7028 -6.3125 -2.6295 -0.0067 6.2354 8.3970 9.2019 11.9865 15.5594 k =-0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4592 -26.8114 -24.2606 -18.0474 -5.9720 -2.8156 -0.0259 6.0233 8.2650 8.9245 12.0387 15.9936 k = 0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4561 -26.8284 -24.6565 -17.3564 -6.4141 -2.5290 0.0731 6.2369 8.4771 9.1678 12.0345 15.1889 k =-0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4565 -26.8024 -24.3149 -17.9358 -5.8200 -2.8466 0.0305 5.8679 8.0798 8.8884 12.1520 15.8193 k = 0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4560 -26.8349 -24.8692 -16.9495 -6.5218 -2.4216 0.1788 6.2248 8.5889 9.1462 12.0651 14.8368 k =-0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4537 -26.7906 -24.3839 -17.7911 -5.6364 -2.9002 0.0993 5.6749 7.7775 8.9962 12.2968 15.6248 k = 0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4704 -26.8551 -25.0935 -16.5135 -6.6489 -2.3261 0.3052 6.1882 8.7245 9.1468 12.0426 14.5523 k =-0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4592 -26.7817 -24.4905 -17.6216 -5.4567 -2.9894 0.1686 5.4362 7.4574 9.1931 12.4617 15.4240 k = 0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4719 -26.8844 -25.3015 -16.0483 -6.7630 -2.2313 0.4635 6.1387 8.8747 9.1956 11.9446 14.3842 k =-0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4609 -26.7692 -24.5860 -17.4218 -5.2591 -3.0941 0.2417 5.1675 7.1878 9.4569 12.6436 15.2359 k = 0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4743 -26.9268 -25.4805 -15.5743 -6.8638 -2.1428 0.6482 6.0679 9.0067 9.3187 11.7652 14.3522 k =-0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4529 -26.7553 -24.6874 -17.1927 -5.0861 -3.2091 0.3129 4.8790 7.0018 9.7770 12.8333 15.0757 k = 0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4701 -26.9858 -25.6136 -15.0990 -6.9449 -2.0592 0.8625 5.9880 9.1138 9.5028 11.5513 14.4354 k =-0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4465 -26.7349 -24.7759 -16.9386 -4.9667 -3.2821 0.3749 4.5940 6.9046 10.1492 13.0178 14.9588 k = 0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4715 -27.0641 -25.7280 -14.6442 -7.0162 -1.9977 1.0918 5.8812 9.2004 9.6801 11.3862 14.5845 k =-0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4435 -26.7209 -24.8730 -16.6698 -4.9834 -3.2848 0.4083 4.3323 6.8771 10.5680 13.1814 14.8954 k = 0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4692 -27.1482 -25.8053 -14.2149 -7.0658 -1.9357 1.3399 5.7620 9.2482 9.7989 11.3801 14.7498 k =-0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4376 -26.7063 -24.9584 -16.3862 -5.1353 -3.1803 0.4158 4.1268 6.9038 11.0316 13.3241 14.8910 k = 0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4719 -27.2503 -25.8636 -13.8311 -7.1045 -1.8963 1.5936 5.6210 9.1912 9.8885 11.5733 14.8751 k =-0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4305 -26.6970 -25.0426 -16.1035 -5.4012 -3.0137 0.3873 3.9848 6.9600 11.5341 13.4476 14.9382 k = 0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4749 -27.3481 -25.9006 -13.4981 -7.1262 -1.8725 1.8503 5.4695 9.0172 10.0178 11.9068 14.9237 k =-0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4366 -26.6869 -25.1223 -15.8220 -5.7156 -2.8291 0.3353 3.8997 7.0277 12.0728 13.5665 15.0268 k = 0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4738 -27.4295 -25.9166 -13.2140 -7.1254 -1.8355 2.1067 5.3165 8.7961 10.1844 12.3025 14.8991 k =-0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4329 -26.6754 -25.1836 -15.5538 -6.0335 -2.6340 0.2708 3.8656 7.1008 12.6359 13.6946 15.1422 k = 0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4876 -27.4998 -25.9283 -13.0027 -7.1234 -1.8125 2.3399 5.1654 8.5820 10.3547 12.6868 14.8521 k =-0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4254 -26.6706 -25.2394 -15.3221 -6.3305 -2.4858 0.2037 3.8635 7.1552 13.1884 13.8524 15.2686 k = 0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4855 -27.5470 -25.9316 -12.8388 -7.1099 -1.7816 2.5403 5.0323 8.4098 10.5048 12.9881 14.8574 k =-0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4113 -26.6668 -25.2701 -15.1370 -6.5660 -2.3487 0.1483 3.8740 7.2043 13.6100 14.1298 15.3860 k = 0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4909 -27.5792 -25.9344 -12.7455 -7.1014 -1.7686 2.6737 4.9344 8.2980 10.6071 13.1570 14.9198 k =-0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4049 -26.6646 -25.3036 -15.0175 -6.7223 -2.2790 0.1090 3.8852 7.2285 13.7868 14.5582 15.4548 k = 0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4939 -27.6009 -25.9413 -12.7211 -7.1027 -1.7834 2.7169 4.8948 8.2567 10.6412 13.2026 14.9586 k =-0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4115 -26.6666 -25.3211 -14.9791 -6.7787 -2.2668 0.0874 3.8867 7.2329 13.8300 14.8006 15.4567 k = 0.5152-0.2624 0.0000 ( 952 PWs) bands (ev): -37.4896 -27.5896 -25.9359 -12.7292 -7.0989 -1.7605 2.7071 4.8872 8.2440 10.5743 13.2349 15.0218 k =-0.4848-0.3149 0.0000 ( 952 PWs) bands (ev): -37.4075 -26.6631 -25.3155 -14.9656 -6.7530 -2.2589 0.1040 3.8920 7.2291 13.7537 14.7620 15.5286 k = 0.5303-0.2362 0.0000 ( 944 PWs) bands (ev): -37.4742 -27.5625 -25.9324 -12.7583 -7.0946 -1.7096 2.6607 4.8539 8.2086 10.3805 13.3449 15.1902 k =-0.4697-0.3412 0.0000 ( 944 PWs) bands (ev): -37.4009 -26.6612 -25.3388 -14.9296 -6.6911 -2.2687 0.1413 3.9011 7.2113 13.5227 14.7269 15.6719 k = 0.5455-0.2099 0.0000 ( 950 PWs) bands (ev): -37.4728 -27.5330 -25.9376 -12.8233 -7.0980 -1.6582 2.5685 4.7950 8.1633 10.0831 13.5386 15.4272 k =-0.4545-0.3674 0.0000 ( 950 PWs) bands (ev): -37.4000 -26.6650 -25.4014 -14.8740 -6.6024 -2.3248 0.1931 3.9129 7.1701 13.1652 14.7612 15.8178 k = 0.5606-0.1837 0.0000 ( 950 PWs) bands (ev): -37.4607 -27.4834 -25.9385 -12.8992 -7.0961 -1.5929 2.4384 4.7236 8.1094 9.7577 13.8123 15.7128 k =-0.4394-0.3936 0.0000 ( 950 PWs) bands (ev): -37.3943 -26.6736 -25.4745 -14.7960 -6.4945 -2.3839 0.2655 3.9293 7.1239 12.7431 14.8631 15.9526 k = 0.5758-0.1575 0.0000 ( 948 PWs) bands (ev): -37.4440 -27.4231 -25.9394 -12.9885 -7.0970 -1.5313 2.2850 4.6433 8.0127 9.4990 14.1354 16.0368 k =-0.4242-0.4199 0.0000 ( 948 PWs) bands (ev): -37.3844 -26.6828 -25.5616 -14.6948 -6.3852 -2.4397 0.3648 3.9479 7.0750 12.3028 15.0181 16.0776 k = 0.5909-0.1312 0.0000 ( 948 PWs) bands (ev): -37.4303 -27.3531 -25.9428 -13.0887 -7.0971 -1.4960 2.1116 4.5568 7.8291 9.4010 14.4843 16.3925 k =-0.4091-0.4461 0.0000 ( 948 PWs) bands (ev): -37.3769 -26.6982 -25.6492 -14.5740 -6.3098 -2.4749 0.4853 3.9648 7.0316 11.8771 15.2169 16.1924 k = 0.6061-0.1050 0.0000 ( 940 PWs) bands (ev): -37.4056 -27.2708 -25.9412 -13.1917 -7.0938 -1.4902 1.9417 4.4692 7.5805 9.4853 14.8433 16.7781 k =-0.3939-0.4724 0.0000 ( 940 PWs) bands (ev): -37.3641 -26.7157 -25.7207 -14.4264 -6.2853 -2.4584 0.6331 3.9844 7.0063 11.4949 15.4536 16.2965 k = 0.6212-0.0787 0.0000 ( 940 PWs) bands (ev): -37.3915 -27.1776 -25.9466 -13.3069 -7.0866 -1.5430 1.7702 4.3721 7.3370 9.6958 15.2001 17.1853 k =-0.3788-0.4986 0.0000 ( 940 PWs) bands (ev): -37.3519 -26.7491 -25.8010 -14.2670 -6.3403 -2.4212 0.7941 4.0060 6.9861 11.1674 15.7134 16.3867 k = 0.6364-0.0525 0.0000 ( 940 PWs) bands (ev): -37.3666 -27.0848 -25.9542 -13.4207 -7.0751 -1.6719 1.6105 4.2753 7.1581 9.9845 15.5436 17.4065 k =-0.3636-0.5249 0.0000 ( 940 PWs) bands (ev): -37.3416 -26.7913 -25.8746 -14.0845 -6.4828 -2.3444 0.9660 4.0325 6.9870 10.9150 15.9680 16.4765 k = 0.6515-0.0262 0.0000 ( 942 PWs) bands (ev): -37.3509 -26.9915 -25.9645 -13.5436 -7.0586 -1.8735 1.4646 4.1804 7.0671 10.3189 15.8585 17.2001 k =-0.3485-0.5511 0.0000 ( 942 PWs) bands (ev): -37.3414 -26.8385 -25.9304 -13.8890 -6.7138 -2.2363 1.1473 4.0647 7.0125 10.7480 16.1262 16.6339 k =-0.3333 0.5774 0.0325 ( 939 PWs) bands (ev): -37.3300 -26.8925 -25.9687 -13.6718 -7.0203 -2.1117 1.3260 4.1023 7.0724 10.6710 16.1390 16.9036 k =-0.3333 0.5774 0.0650 ( 945 PWs) bands (ev): -37.3306 -26.8989 -25.9743 -13.6741 -7.0293 -2.1180 1.3199 4.1014 7.0717 10.6614 16.1899 16.8987 k =-0.3333 0.5774 0.0975 ( 945 PWs) bands (ev): -37.3303 -26.8989 -25.9744 -13.6741 -7.0296 -2.1180 1.3191 4.1023 7.0708 10.6566 16.2490 16.9010 k =-0.3333 0.5774 0.1300 ( 936 PWs) bands (ev): -37.3367 -26.8941 -25.9653 -13.6725 -7.0261 -2.1110 1.3281 4.1058 7.0711 10.6574 16.2980 16.9171 k =-0.3333 0.5774 0.1625 ( 927 PWs) bands (ev): -37.3338 -26.8876 -25.9556 -13.6696 -7.0177 -2.1008 1.3303 4.1100 7.0715 10.6616 16.3226 16.9410 k =-0.3175-0.5499-0.1950 ( 922 PWs) bands (ev): -37.3076 -26.7859 -25.9540 -13.8126 -6.9625 -2.3871 1.1881 4.0534 7.1627 11.0394 16.3391 16.7243 k = 0.6349-0.0000 0.1950 ( 922 PWs) bands (ev): -37.3473 -26.9225 -25.9056 -13.7643 -6.7190 -1.9268 1.2849 4.1426 6.9594 10.3405 16.0971 16.9504 k =-0.3016-0.5224-0.1950 ( 934 PWs) bands (ev): -37.3089 -26.6987 -25.9565 -13.9837 -6.8994 -2.7208 1.0426 4.0149 7.3235 11.3863 15.9199 16.6005 k = 0.6032-0.0000 0.1950 ( 934 PWs) bands (ev): -37.3807 -26.9660 -25.8695 -13.8839 -6.4636 -1.7819 1.2385 4.1603 6.8619 10.0700 15.7231 16.8147 k =-0.2857-0.4949-0.1950 ( 944 PWs) bands (ev): -37.3024 -26.6246 -25.9437 -14.1669 -6.8113 -3.0576 0.9101 3.9986 7.5330 11.6923 15.2987 16.4443 k = 0.5714-0.0000 0.1950 ( 944 PWs) bands (ev): -37.4053 -26.9946 -25.8318 -14.0187 -6.2302 -1.6667 1.2061 4.1812 6.7673 9.8880 15.2443 16.5633 k =-0.2698-0.4674-0.1950 ( 940 PWs) bands (ev): -37.2969 -26.5655 -25.8999 -14.3717 -6.7023 -3.3504 0.8082 4.0014 7.7695 11.9596 14.6303 16.2378 k = 0.5397-0.0000 0.1950 ( 940 PWs) bands (ev): -37.4237 -27.0062 -25.7862 -14.1746 -6.0081 -1.5856 1.1979 4.2143 6.6622 9.8112 14.7081 16.2530 k =-0.2540-0.4399-0.1950 ( 948 PWs) bands (ev): -37.3006 -26.5314 -25.8399 -14.5999 -6.5958 -3.6138 0.7177 4.0079 8.0021 12.1785 13.9731 15.9880 k = 0.5079-0.0000 0.1950 ( 948 PWs) bands (ev): -37.4488 -27.0151 -25.7407 -14.3626 -5.8051 -1.5797 1.1892 4.2623 6.5463 9.8304 14.1515 15.9238 k =-0.2381-0.4124-0.1950 ( 952 PWs) bands (ev): -37.3051 -26.5167 -25.7556 -14.8486 -6.4974 -3.8087 0.6584 4.0247 8.2091 12.3515 13.3811 15.7045 k = 0.4762-0.0000 0.1950 ( 952 PWs) bands (ev): -37.4687 -27.0119 -25.6883 -14.5765 -5.6147 -1.6326 1.1779 4.3392 6.4376 9.9295 13.6110 15.5980 k =-0.2222-0.3849-0.1950 ( 954 PWs) bands (ev): -37.3074 -26.5185 -25.6491 -15.1170 -6.4253 -3.9142 0.6222 4.0545 8.3673 12.3430 13.0251 15.3994 k = 0.4444-0.0000 0.1950 ( 954 PWs) bands (ev): -37.4769 -27.0004 -25.6283 -14.8150 -5.4470 -1.7350 1.1478 4.4473 6.3566 10.0731 13.1200 15.2797 k =-0.2063-0.3574-0.1950 ( 966 PWs) bands (ev): -37.3254 -26.5344 -25.5493 -15.4088 -6.3973 -3.9443 0.5938 4.1031 8.4532 11.9587 13.1169 15.0830 k = 0.4127-0.0000 0.1950 ( 966 PWs) bands (ev): -37.5012 -26.9869 -25.5698 -15.0829 -5.3066 -1.8997 1.0828 4.5826 6.3124 10.2074 12.7212 14.9641 k =-0.1905-0.3299-0.1950 ( 962 PWs) bands (ev): -37.3303 -26.5553 -25.4132 -15.7054 -6.3967 -3.8643 0.5770 4.1916 8.4776 11.4786 13.3896 14.7718 k = 0.3810-0.0000 0.1950 ( 962 PWs) bands (ev): -37.5010 -26.9622 -25.4897 -15.3641 -5.1950 -2.0489 0.9943 4.7553 6.3305 10.2675 12.4772 14.6515 k =-0.1746-0.3024-0.1950 ( 960 PWs) bands (ev): -37.3385 -26.5841 -25.2752 -16.0108 -6.4210 -3.7219 0.5519 4.3228 8.4427 11.0126 13.7147 14.4685 k = 0.3492-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4982 -26.9375 -25.3984 -15.6629 -5.1329 -2.2033 0.8795 4.9489 6.4086 10.1878 12.4370 14.3430 k =-0.1587-0.2749-0.1950 ( 954 PWs) bands (ev): -37.3489 -26.6108 -25.1291 -16.3083 -6.4452 -3.5432 0.5160 4.5026 8.3708 10.5811 13.9849 14.2489 k = 0.3175-0.0000 0.1950 ( 954 PWs) bands (ev): -37.4967 -26.9058 -25.2870 -15.9652 -5.1188 -2.3366 0.7515 5.1533 6.5513 9.9828 12.5739 14.0546 k =-0.1429-0.2474-0.1950 ( 958 PWs) bands (ev): -37.3661 -26.6441 -24.9942 -16.6093 -6.4723 -3.3634 0.4519 4.7262 8.2884 10.1842 13.7969 14.4864 k = 0.2857-0.0000 0.1950 ( 958 PWs) bands (ev): -37.4971 -26.8834 -25.1781 -16.2809 -5.1701 -2.4611 0.6073 5.3543 6.7550 9.7084 12.7844 13.8249 k =-0.1270-0.2199-0.1950 ( 960 PWs) bands (ev): -37.3837 -26.6762 -24.8558 -16.8997 -6.4823 -3.1836 0.3712 4.9835 8.2220 9.8314 13.5011 14.8136 k = 0.2540-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4966 -26.8644 -25.0480 -16.5959 -5.2725 -2.5523 0.4683 5.5496 7.0179 9.4221 12.9037 13.7696 k =-0.1111-0.1925-0.1950 ( 964 PWs) bands (ev): -37.4031 -26.7084 -24.7235 -17.1765 -6.4756 -3.0281 0.2769 5.2533 8.1860 9.5306 13.2028 15.1142 k = 0.2222-0.0000 0.1950 ( 964 PWs) bands (ev): -37.4967 -26.8543 -24.9103 -16.9066 -5.4160 -2.6223 0.3353 5.7320 7.3233 9.1537 12.8115 13.9792 k =-0.0952-0.1650-0.1950 ( 960 PWs) bands (ev): -37.4182 -26.7337 -24.5917 -17.4257 -6.4409 -2.9023 0.1805 5.5280 8.1850 9.2946 12.9177 15.3751 k = 0.1905-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4894 -26.8412 -24.7593 -17.1975 -5.5711 -2.6689 0.2162 5.9051 7.6518 8.9267 12.6235 14.3280 k =-0.0794-0.1375-0.1950 ( 964 PWs) bands (ev): -37.4311 -26.7611 -24.4781 -17.6517 -6.3944 -2.8231 0.0893 5.7785 8.2008 9.1422 12.6476 15.5947 k = 0.1587-0.0000 0.1950 ( 964 PWs) bands (ev): -37.4851 -26.8341 -24.6104 -17.4731 -5.7325 -2.7079 0.1110 6.0530 7.9639 8.7647 12.4236 14.7150 k =-0.0635-0.1100-0.1950 ( 962 PWs) bands (ev): -37.4425 -26.7826 -24.3715 -17.8426 -6.3327 -2.7777 0.0102 6.0014 8.2082 9.0867 12.4036 15.7765 k = 0.1270-0.0000 0.1950 ( 962 PWs) bands (ev): -37.4798 -26.8294 -24.4638 -17.7162 -5.8776 -2.7340 0.0249 6.1823 8.1805 8.7298 12.2435 15.1047 k =-0.0476-0.0825-0.1950 ( 962 PWs) bands (ev): -37.4528 -26.8011 -24.2874 -17.9982 -6.2724 -2.7645 -0.0532 6.1804 8.1947 9.1143 12.1943 15.9220 k = 0.0952-0.0000 0.1950 ( 962 PWs) bands (ev): -37.4761 -26.8274 -24.3409 -17.9205 -6.0026 -2.7570 -0.0441 6.2842 8.2238 8.8732 12.0945 15.4716 k =-0.0317-0.0550-0.1950 ( 960 PWs) bands (ev): -37.4597 -26.8143 -24.2222 -18.1124 -6.2169 -2.7687 -0.0975 6.3123 8.1758 9.1794 12.0318 16.0297 k = 0.0635-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4725 -26.8256 -24.2427 -18.0748 -6.0945 -2.7727 -0.0934 6.3584 8.1956 9.0667 11.9840 15.7916 k =-0.0159-0.0275-0.1950 ( 952 PWs) bands (ev): -37.4630 -26.8180 -24.1701 -18.1773 -6.1701 -2.7779 -0.1201 6.3924 8.1671 9.2366 11.9298 16.0989 k = 0.0317-0.0000 0.1950 ( 952 PWs) bands (ev): -37.4684 -26.8218 -24.1729 -18.1659 -6.1398 -2.7792 -0.1199 6.4051 8.1724 9.2078 11.9170 16.0287 k = 0.0278-0.0160 0.1950 ( 954 PWs) bands (ev): -37.4751 -26.8227 -24.1912 -18.1411 -6.1821 -2.7669 -0.1196 6.4139 8.1764 9.2499 11.9057 15.9897 k =-0.0278-0.0160 0.1950 ( 954 PWs) bands (ev): -37.4681 -26.8194 -24.1681 -18.1837 -6.1372 -2.7875 -0.1205 6.3917 8.1678 9.1996 11.9295 16.0828 k = 0.0556-0.0321 0.1950 ( 956 PWs) bands (ev): -37.4664 -26.8235 -24.2994 -17.9729 -6.2378 -2.7150 -0.0874 6.4083 8.2144 9.2289 11.9404 15.6806 k =-0.0556-0.0321 0.1950 ( 956 PWs) bands (ev): -37.4651 -26.8192 -24.1973 -18.1375 -6.0728 -2.7970 -0.0956 6.3115 8.1746 9.0425 12.0325 15.9743 k = 0.0833-0.0481 0.1950 ( 964 PWs) bands (ev): -37.4788 -26.8280 -24.4684 -17.7095 -6.3291 -2.6420 -0.0351 6.3892 8.2806 9.1996 11.9953 15.2862 k =-0.0833-0.0481 0.1950 ( 964 PWs) bands (ev): -37.4685 -26.8150 -24.2587 -18.0590 -5.9770 -2.8220 -0.0545 6.1776 8.1547 8.8517 12.1941 15.8147 k = 0.1111-0.0642 0.1950 ( 964 PWs) bands (ev): -37.4691 -26.8325 -24.6669 -17.3659 -6.4262 -2.5424 0.0459 6.3666 8.3796 9.1751 12.0669 14.8589 k =-0.1111-0.0642 0.1950 ( 964 PWs) bands (ev): -37.4639 -26.8057 -24.3195 -17.9443 -5.8292 -2.8578 0.0034 6.0026 8.0136 8.7694 12.4030 15.6214 k = 0.1389-0.0802 0.1950 ( 966 PWs) bands (ev): -37.4702 -26.8416 -24.8863 -16.9643 -6.5407 -2.4393 0.1518 6.3279 8.5067 9.1651 12.1464 14.4289 k =-0.1389-0.0802 0.1950 ( 966 PWs) bands (ev): -37.4672 -26.7959 -24.3974 -17.8017 -5.6539 -2.9157 0.0705 5.7860 7.7315 8.8572 12.6462 15.4069 k = 0.1667-0.0962 0.1950 ( 956 PWs) bands (ev): -37.4684 -26.8534 -25.0851 -16.5166 -6.6428 -2.3255 0.2901 6.2803 8.6588 9.1872 12.2130 14.0390 k =-0.1667-0.0962 0.1950 ( 956 PWs) bands (ev): -37.4563 -26.7813 -24.4809 -17.6244 -5.4525 -2.9933 0.1517 5.5446 7.4219 9.0561 12.9151 15.1870 k = 0.1944-0.1123 0.1950 ( 960 PWs) bands (ev): -37.4720 -26.8824 -25.2939 -16.0499 -6.7574 -2.2341 0.4495 6.2085 8.8070 9.2559 12.2243 13.7433 k =-0.1944-0.1123 0.1950 ( 960 PWs) bands (ev): -37.4557 -26.7708 -24.5770 -17.4271 -5.2574 -3.0993 0.2279 5.2528 7.1579 9.3228 13.1985 14.9701 k = 0.2222-0.1283 0.1950 ( 956 PWs) bands (ev): -37.4699 -26.9256 -25.4713 -15.5718 -6.8565 -2.1440 0.6367 6.1280 8.9380 9.3841 12.1405 13.6128 k =-0.2222-0.1283 0.1950 ( 956 PWs) bands (ev): -37.4519 -26.7538 -24.6697 -17.1979 -5.0787 -3.2036 0.2991 4.9443 6.9773 9.6440 13.4941 14.7709 k = 0.2500-0.1443 0.1950 ( 958 PWs) bands (ev): -37.4708 -26.9903 -25.6274 -15.1032 -6.9458 -2.0749 0.8460 6.0251 9.0451 9.5441 11.9889 13.6486 k =-0.2500-0.1443 0.1950 ( 958 PWs) bands (ev): -37.4533 -26.7406 -24.7735 -16.9468 -4.9763 -3.2859 0.3545 4.6374 6.8799 10.0107 13.7883 14.6013 k = 0.2778-0.1604 0.1950 ( 950 PWs) bands (ev): -37.4748 -27.0642 -25.7288 -14.6467 -7.0111 -2.0014 1.0772 5.9133 9.1373 9.6855 11.8770 13.7966 k =-0.2778-0.1604 0.1950 ( 950 PWs) bands (ev): -37.4388 -26.7240 -24.8718 -16.6761 -4.9909 -3.2853 0.3915 4.3771 6.8565 10.4201 14.0679 14.4808 k = 0.3056-0.1764 0.1950 ( 950 PWs) bands (ev): -37.4765 -27.1551 -25.8100 -14.2221 -7.0664 -1.9485 1.3230 5.7817 9.1761 9.7854 11.9027 13.9945 k =-0.3056-0.1764 0.1950 ( 950 PWs) bands (ev): -37.4363 -26.7101 -24.9631 -16.3943 -5.1469 -3.1875 0.3958 4.1602 6.8844 10.8643 14.2512 14.4874 k = 0.3333-0.1925 0.1950 ( 950 PWs) bands (ev): -37.4778 -27.2527 -25.8599 -13.8374 -7.1022 -1.9046 1.5821 5.6375 9.1166 9.8855 12.0917 14.1998 k =-0.3333-0.1925 0.1950 ( 950 PWs) bands (ev): -37.4326 -26.6994 -25.0531 -16.1069 -5.4048 -3.0295 0.3736 4.0091 6.9445 11.3375 14.2694 14.6922 k = 0.3611-0.2085 0.1950 ( 958 PWs) bands (ev): -37.4819 -27.3507 -25.9024 -13.5060 -7.1252 -1.8805 1.8377 5.4781 8.9519 10.0266 12.3961 14.3771 k =-0.3611-0.2085 0.1950 ( 958 PWs) bands (ev): -37.4375 -26.6908 -25.1348 -15.8256 -5.7207 -2.8490 0.3219 3.9170 7.0156 11.8307 14.2902 14.9288 k = 0.3889-0.2245 0.1950 ( 954 PWs) bands (ev): -37.4795 -27.4301 -25.9193 -13.2226 -7.1278 -1.8404 2.0945 5.3223 8.7444 10.2011 12.7423 14.5124 k =-0.3889-0.2245 0.1950 ( 954 PWs) bands (ev): -37.4282 -26.6806 -25.1946 -15.5577 -6.0378 -2.6562 0.2615 3.8800 7.0902 12.3315 14.3569 15.1606 k = 0.4167-0.2406 0.1950 ( 958 PWs) bands (ev): -37.4865 -27.5035 -25.9345 -13.0069 -7.1249 -1.8194 2.3318 5.1634 8.5392 10.3771 13.0444 14.6312 k =-0.4167-0.2406 0.1950 ( 958 PWs) bands (ev): -37.4286 -26.6742 -25.2491 -15.3251 -6.3346 -2.4985 0.1947 3.8709 7.1507 12.8113 14.4682 15.3878 k = 0.4444-0.2566 0.1950 ( 958 PWs) bands (ev): -37.4887 -27.5568 -25.9400 -12.8517 -7.1180 -1.7960 2.5341 5.0275 8.3737 10.5316 13.2324 14.7844 k =-0.4444-0.2566 0.1950 ( 958 PWs) bands (ev): -37.4179 -26.6660 -25.2851 -15.1370 -6.5716 -2.3709 0.1412 3.8792 7.1971 13.2245 14.6237 15.6231 k = 0.4722-0.2726 0.1950 ( 952 PWs) bands (ev): -37.4883 -27.5840 -25.9393 -12.7516 -7.1069 -1.7692 2.6733 4.9314 8.2671 10.6401 13.3072 14.9462 k =-0.4722-0.2726 0.1950 ( 952 PWs) bands (ev): -37.4012 -26.6612 -25.3037 -15.0151 -6.7226 -2.2825 0.1068 3.8913 7.2289 13.5035 14.7918 15.8936 k = 0.5000-0.2887 0.1950 ( 948 PWs) bands (ev): -37.4834 -27.5917 -25.9376 -12.7148 -7.1007 -1.7603 2.7250 4.8962 8.2304 10.6785 13.3245 15.0169 k =-0.5000-0.2887 0.1950 ( 948 PWs) bands (ev): -37.3995 -26.6597 -25.3061 -14.9738 -6.7727 -2.2467 0.0954 3.8957 7.2417 13.6004 14.8734 16.1655 k = 0.5000-0.2887 0.1625 ( 950 PWs) bands (ev): -37.4838 -27.5946 -25.9385 -12.7150 -7.1007 -1.7649 2.7251 4.8953 8.2320 10.6755 13.3168 15.0052 k =-0.5000-0.2887 0.1625 ( 950 PWs) bands (ev): -37.4001 -26.6618 -25.3062 -14.9751 -6.7759 -2.2476 0.0950 3.8944 7.2412 13.6127 14.8771 16.0084 k = 0.5000-0.2887 0.1300 ( 954 PWs) bands (ev): -37.4923 -27.5948 -25.9410 -12.7212 -7.1039 -1.7657 2.7225 4.8946 8.2368 10.6690 13.2957 14.9786 k =-0.5000-0.2887 0.1300 ( 954 PWs) bands (ev): -37.4015 -26.6637 -25.3163 -14.9739 -6.7775 -2.2648 0.0926 3.8940 7.2358 13.6477 14.8821 15.7920 k = 0.5000-0.2887 0.0975 ( 948 PWs) bands (ev): -37.4899 -27.5912 -25.9375 -12.7171 -7.1014 -1.7580 2.7241 4.9000 8.2454 10.6619 13.2685 14.9596 k =-0.5000-0.2887 0.0975 ( 948 PWs) bands (ev): -37.4025 -26.6615 -25.3052 -14.9748 -6.7709 -2.2456 0.0952 3.8938 7.2406 13.7013 14.8828 15.6167 k = 0.5000-0.2887 0.0650 ( 954 PWs) bands (ev): -37.4919 -27.5953 -25.9420 -12.7224 -7.1031 -1.7675 2.7211 4.8973 8.2513 10.6520 13.2359 14.9519 k =-0.5000-0.2887 0.0650 ( 954 PWs) bands (ev): -37.4059 -26.6625 -25.3120 -14.9755 -6.7738 -2.2566 0.0931 3.8911 7.2367 13.7608 14.8582 15.5090 k = 0.5000-0.2887 0.0325 ( 950 PWs) bands (ev): -37.4908 -27.5924 -25.9346 -12.7158 -7.0990 -1.7680 2.7255 4.8996 8.2572 10.6458 13.2137 14.9574 k =-0.5000-0.2887 0.0325 ( 950 PWs) bands (ev): -37.4062 -26.6624 -25.3032 -14.9755 -6.7728 -2.2476 0.0959 3.8900 7.2387 13.8112 14.8209 15.4667 k = 0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4939 -27.6009 -25.9413 -12.7211 -7.1027 -1.7834 2.7169 4.8948 8.2567 10.6412 13.2026 14.9585 k =-0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4115 -26.6666 -25.3211 -14.9791 -6.7787 -2.2668 0.0874 3.8867 7.2329 13.8300 14.8006 15.4566 k = 0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4909 -27.5792 -25.9344 -12.7455 -7.1014 -1.7686 2.6737 4.9344 8.2980 10.6071 13.1571 14.9198 k =-0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4049 -26.6646 -25.3036 -15.0175 -6.7223 -2.2790 0.1090 3.8852 7.2285 13.7868 14.5582 15.4548 k = 0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4855 -27.5470 -25.9316 -12.8388 -7.1099 -1.7816 2.5403 5.0323 8.4098 10.5048 12.9881 14.8574 k =-0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4113 -26.6668 -25.2701 -15.1370 -6.5660 -2.3487 0.1483 3.8740 7.2043 13.6100 14.1297 15.3859 k = 0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4876 -27.4998 -25.9283 -13.0027 -7.1234 -1.8125 2.3399 5.1654 8.5820 10.3547 12.6869 14.8521 k =-0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4254 -26.6706 -25.2394 -15.3221 -6.3305 -2.4858 0.2037 3.8635 7.1552 13.1884 13.8524 15.2686 k = 0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4738 -27.4295 -25.9166 -13.2140 -7.1254 -1.8355 2.1067 5.3165 8.7961 10.1844 12.3025 14.8991 k =-0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4329 -26.6754 -25.1836 -15.5538 -6.0335 -2.6340 0.2708 3.8656 7.1008 12.6359 13.6946 15.1422 k = 0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4749 -27.3481 -25.9006 -13.4981 -7.1262 -1.8725 1.8503 5.4695 9.0172 10.0178 11.9068 14.9237 k =-0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4366 -26.6869 -25.1223 -15.8220 -5.7156 -2.8291 0.3353 3.8997 7.0277 12.0728 13.5665 15.0268 k = 0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4719 -27.2503 -25.8636 -13.8311 -7.1045 -1.8963 1.5936 5.6210 9.1912 9.8885 11.5733 14.8751 k =-0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4305 -26.6970 -25.0426 -16.1035 -5.4012 -3.0137 0.3873 3.9848 6.9600 11.5341 13.4476 14.9382 k = 0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4692 -27.1482 -25.8053 -14.2149 -7.0658 -1.9357 1.3399 5.7620 9.2482 9.7989 11.3801 14.7498 k =-0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4376 -26.7063 -24.9584 -16.3862 -5.1353 -3.1803 0.4158 4.1268 6.9038 11.0316 13.3241 14.8910 k = 0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4715 -27.0641 -25.7280 -14.6442 -7.0162 -1.9977 1.0918 5.8812 9.2004 9.6801 11.3862 14.5845 k =-0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4435 -26.7209 -24.8730 -16.6698 -4.9834 -3.2848 0.4083 4.3323 6.8771 10.5680 13.1814 14.8955 k = 0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4701 -26.9858 -25.6136 -15.0990 -6.9449 -2.0592 0.8625 5.9880 9.1138 9.5028 11.5513 14.4354 k =-0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4465 -26.7349 -24.7759 -16.9386 -4.9667 -3.2821 0.3749 4.5940 6.9046 10.1492 13.0178 14.9589 k = 0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4743 -26.9268 -25.4805 -15.5743 -6.8638 -2.1428 0.6482 6.0679 9.0067 9.3187 11.7652 14.3522 k =-0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4529 -26.7553 -24.6874 -17.1927 -5.0861 -3.2091 0.3129 4.8790 7.0018 9.7770 12.8333 15.0757 k = 0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4719 -26.8844 -25.3015 -16.0483 -6.7630 -2.2313 0.4635 6.1387 8.8747 9.1956 11.9446 14.3843 k =-0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4609 -26.7692 -24.5860 -17.4218 -5.2591 -3.0941 0.2417 5.1675 7.1878 9.4569 12.6436 15.2360 k = 0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4704 -26.8551 -25.0935 -16.5135 -6.6489 -2.3261 0.3052 6.1882 8.7245 9.1468 12.0426 14.5523 k =-0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4592 -26.7817 -24.4905 -17.6216 -5.4567 -2.9894 0.1686 5.4362 7.4574 9.1931 12.4617 15.4241 k = 0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4560 -26.8349 -24.8692 -16.9495 -6.5218 -2.4216 0.1788 6.2248 8.5889 9.1462 12.0651 14.8368 k =-0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4537 -26.7906 -24.3839 -17.7911 -5.6364 -2.9002 0.0993 5.6749 7.7775 8.9962 12.2968 15.6247 k = 0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4561 -26.8284 -24.6565 -17.3564 -6.4141 -2.5290 0.0731 6.2369 8.4771 9.1678 12.0345 15.1888 k =-0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4565 -26.8024 -24.3149 -17.9358 -5.8200 -2.8466 0.0305 5.8679 8.0798 8.8884 12.1520 15.8193 k = 0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4626 -26.8236 -24.4565 -17.7028 -6.3125 -2.6295 -0.0067 6.2354 8.3970 9.2019 11.9864 15.5593 k =-0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4592 -26.8114 -24.2606 -18.0474 -5.9720 -2.8156 -0.0259 6.0233 8.2650 8.9245 12.0387 15.9938 k = 0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4755 -26.8251 -24.3005 -17.9691 -6.2401 -2.7156 -0.0658 6.2290 8.3428 9.2344 11.9376 15.8990 k =-0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4619 -26.8186 -24.2235 -18.1319 -6.0890 -2.7988 -0.0712 6.1333 8.3107 9.0765 11.9577 16.1308 k = 0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4821 -26.8325 -24.2333 -18.1485 -6.2131 -2.7786 -0.1034 6.2164 8.3066 9.2569 11.9033 16.1509 k =-0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4813 -26.8311 -24.2117 -18.1885 -6.1762 -2.7988 -0.1050 6.1922 8.3013 9.2133 11.9069 16.2180 ------ SPIN DOWN ---------- k = 0.0000 0.0000 0.0000 ( 971 PWs) bands (ev): -37.4708 -26.8320 -24.1915 -18.2036 -6.1904 -2.7935 -0.1121 6.2181 8.2980 9.2672 11.8943 16.2491 k = 0.0000-0.0321 0.0000 ( 975 PWs) bands (ev): -37.4797 -26.8299 -24.2264 -18.1579 -6.2455 -2.7770 -0.1043 6.2048 8.3040 9.2870 11.9093 16.1978 k = 0.0000-0.0642 0.0000 ( 956 PWs) bands (ev): -37.4623 -26.8134 -24.2816 -18.0074 -6.3632 -2.7103 -0.0697 6.1789 8.3315 9.3511 11.9634 16.0641 k = 0.0000-0.0962 0.0000 ( 950 PWs) bands (ev): -37.4446 -26.7974 -24.3947 -17.7776 -6.5849 -2.6366 -0.0180 6.1207 8.3778 9.4507 12.0473 15.8743 k = 0.0000-0.1283 0.0000 ( 948 PWs) bands (ev): -37.4255 -26.7769 -24.5516 -17.4773 -6.8689 -2.5710 0.0552 6.0265 8.4552 9.5855 12.1619 15.6587 k = 0.0000-0.1604 0.0000 ( 944 PWs) bands (ev): -37.4053 -26.7508 -24.7321 -17.1158 -7.1874 -2.5199 0.1499 5.8981 8.5720 9.7510 12.3021 15.4399 k = 0.0000-0.1925 0.0000 ( 956 PWs) bands (ev): -37.3952 -26.7282 -24.9398 -16.7222 -7.5396 -2.5016 0.2582 5.7288 8.7243 9.9422 12.4559 15.2354 k = 0.0000-0.2245 0.0000 ( 958 PWs) bands (ev): -37.3745 -26.6999 -25.1378 -16.2895 -7.8952 -2.4982 0.3864 5.5337 8.9149 10.1586 12.6226 15.0713 k = 0.0000-0.2566 0.0000 ( 958 PWs) bands (ev): -37.3493 -26.6701 -25.3276 -15.8355 -8.2500 -2.5093 0.5287 5.3184 9.1323 10.3937 12.7840 14.9705 k = 0.0000-0.2887 0.0000 ( 948 PWs) bands (ev): -37.3188 -26.6360 -25.4939 -15.3663 -8.5937 -2.5199 0.6793 5.0940 9.3602 10.6464 12.9286 14.9576 k = 0.0000-0.3208 0.0000 ( 948 PWs) bands (ev): -37.2930 -26.6083 -25.6593 -14.8975 -8.9333 -2.5509 0.8259 4.8582 9.5691 10.9211 13.0427 15.0429 k = 0.0000-0.3528 0.0000 ( 942 PWs) bands (ev): -37.2642 -26.5829 -25.7953 -14.4334 -9.2565 -2.5740 0.9722 4.6321 9.7297 11.2355 13.1430 15.2202 k = 0.0000-0.3849 0.0000 ( 946 PWs) bands (ev): -37.2402 -26.5695 -25.9229 -13.9880 -9.5763 -2.6006 1.0978 4.4104 9.8144 11.6031 13.2403 15.4582 k = 0.0000-0.4170 0.0000 ( 952 PWs) bands (ev): -37.2205 -26.5647 -26.0299 -13.5713 -9.8756 -2.6345 1.2124 4.2064 9.8261 12.0271 13.3420 15.7272 k = 0.0000-0.4491 0.0000 ( 948 PWs) bands (ev): -37.2002 -26.5642 -26.0951 -13.1732 -10.1544 -2.6401 1.3137 4.0314 9.7864 12.4951 13.4505 15.9880 k = 0.0000-0.4811 0.0000 ( 952 PWs) bands (ev): -37.1920 -26.5717 -26.1467 -12.8178 -10.4205 -2.6476 1.3909 3.8856 9.7202 12.9694 13.5660 16.1818 k = 0.0000-0.5132 0.0000 ( 948 PWs) bands (ev): -37.1745 -26.5838 -26.1674 -12.5070 -10.6511 -2.6422 1.4532 3.7785 9.6557 13.3500 13.7469 16.2258 k = 0.0000-0.5453 0.0000 ( 950 PWs) bands (ev): -37.1697 -26.5943 -26.1811 -12.2848 -10.8304 -2.6407 1.4863 3.7105 9.6086 13.5036 14.0389 16.1062 k = 0.0000-0.5774 0.0000 ( 960 PWs) bands (ev): -37.1715 -26.6069 -26.1951 -12.2068 -10.9025 -2.6581 1.4862 3.6852 9.5900 13.5332 14.1903 16.0141 k = 0.0303-0.5774 0.0000 ( 952 PWs) bands (ev): -37.1707 -26.6050 -26.1879 -12.2747 -10.7951 -2.6505 1.4937 3.6925 9.5347 13.5057 14.2293 16.0311 k = 0.0606-0.5774 0.0000 ( 944 PWs) bands (ev): -37.1680 -26.6051 -26.1797 -12.4431 -10.5243 -2.6366 1.4991 3.7103 9.3741 13.4221 14.3341 16.0838 k = 0.0909-0.5774 0.0000 ( 950 PWs) bands (ev): -37.1812 -26.6220 -26.1789 -12.6504 -10.1735 -2.6445 1.4928 3.7337 9.1301 13.2722 14.4832 16.1781 k = 0.1212-0.5774 0.0000 ( 950 PWs) bands (ev): -37.1937 -26.6394 -26.1720 -12.8459 -9.7732 -2.6367 1.4854 3.7702 8.8356 13.0657 14.6637 16.3271 k = 0.1515-0.5774 0.0000 ( 948 PWs) bands (ev): -37.2090 -26.6632 -26.1600 -13.0201 -9.3517 -2.6162 1.4789 3.8149 8.5176 12.8020 14.8691 16.5282 k = 0.1818-0.5774 0.0000 ( 948 PWs) bands (ev): -37.2289 -26.6946 -26.1417 -13.1696 -8.9214 -2.5915 1.4678 3.8645 8.1982 12.4884 15.0962 16.7725 k = 0.2121-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2427 -26.7284 -26.1123 -13.2921 -8.4919 -2.5403 1.4589 3.9194 7.8977 12.1422 15.3436 17.0307 k = 0.2424-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2677 -26.7664 -26.0823 -13.4027 -8.0821 -2.4695 1.4441 3.9715 7.6283 11.7749 15.6040 17.1866 k = 0.2727-0.5774 0.0000 ( 940 PWs) bands (ev): -37.2846 -26.8099 -26.0478 -13.4954 -7.6962 -2.3769 1.4123 4.0222 7.3993 11.3971 15.8612 17.1299 k = 0.3030-0.5774 0.0000 ( 942 PWs) bands (ev): -37.3127 -26.8560 -26.0111 -13.5851 -7.3397 -2.2653 1.3718 4.0657 7.2130 11.0234 16.0711 16.9900 k = 0.3333-0.5774 0.0000 ( 933 PWs) bands (ev): -37.3270 -26.8880 -25.9645 -13.6695 -7.0169 -2.1035 1.3361 4.1043 7.0729 10.6813 16.1117 16.9089 k = 0.3333-0.5774 0.0325 ( 939 PWs) bands (ev): -37.3300 -26.8947 -25.9681 -13.6718 -7.0197 -2.1110 1.3272 4.1033 7.0701 10.6807 16.1142 16.9118 k = 0.3333-0.5774 0.0650 ( 945 PWs) bands (ev): -37.3321 -26.8986 -25.9731 -13.6749 -7.0287 -2.1220 1.3211 4.1026 7.0663 10.6789 16.1462 16.9150 k = 0.3333-0.5774 0.0975 ( 945 PWs) bands (ev): -37.3323 -26.8986 -25.9727 -13.6750 -7.0287 -2.1220 1.3204 4.1031 7.0651 10.6751 16.1977 16.9227 k = 0.3333-0.5774 0.1300 ( 936 PWs) bands (ev): -37.3362 -26.8945 -25.9627 -13.6728 -7.0252 -2.1108 1.3285 4.1055 7.0651 10.6742 16.2536 16.9369 k = 0.3333-0.5774 0.1625 ( 927 PWs) bands (ev): -37.3329 -26.8878 -25.9555 -13.6691 -7.0182 -2.1000 1.3302 4.1110 7.0677 10.6723 16.2974 16.9523 k = 0.3333-0.5774 0.1950 ( 924 PWs) bands (ev): -37.3316 -26.8871 -25.9547 -13.6672 -7.0145 -2.0993 1.3308 4.1124 7.0695 10.6664 16.3212 16.9560 k = 0.3175-0.5499 0.1950 ( 922 PWs) bands (ev): -37.3211 -26.9429 -25.9859 -13.4277 -7.4027 -1.9738 1.5126 4.1541 7.1734 10.6966 16.2236 17.0969 k = 0.3016-0.5224 0.1950 ( 934 PWs) bands (ev): -37.3201 -27.0051 -26.0202 -13.1783 -7.8512 -1.8988 1.6658 4.1985 7.3286 10.8054 16.0306 16.9031 k = 0.2857-0.4949 0.1950 ( 944 PWs) bands (ev): -37.3195 -27.0553 -26.0486 -12.9246 -8.3379 -1.8444 1.7775 4.2556 7.5387 10.9940 15.7181 16.4141 k = 0.2698-0.4674 0.1950 ( 940 PWs) bands (ev): -37.3189 -27.0722 -26.0511 -12.6635 -8.8281 -1.7856 1.8414 4.3451 7.7924 11.2483 15.2294 16.0011 k = 0.2540-0.4399 0.1950 ( 948 PWs) bands (ev): -37.3206 -27.0938 -26.0622 -12.4415 -9.3105 -1.7746 1.8256 4.4704 8.0691 11.5067 14.6370 15.6846 k = 0.2381-0.4124 0.1950 ( 952 PWs) bands (ev): -37.3239 -27.0889 -26.0665 -12.2944 -9.7209 -1.7748 1.7522 4.6377 8.3494 11.7471 14.0568 15.3900 k = 0.2222-0.3849 0.1950 ( 954 PWs) bands (ev): -37.3304 -27.0605 -26.0616 -12.2942 -9.9716 -1.7812 1.6300 4.8356 8.6134 11.9120 13.5456 15.0909 k = 0.2063-0.3574 0.1950 ( 966 PWs) bands (ev): -37.3567 -27.0250 -26.0545 -12.5253 -10.0054 -1.8179 1.4659 5.0474 8.8390 11.9341 13.1422 14.7900 k = 0.1905-0.3299 0.1950 ( 962 PWs) bands (ev): -37.3641 -26.9667 -26.0164 -12.9270 -9.8347 -1.8387 1.2875 5.2713 9.0151 11.8090 12.8626 14.5120 k = 0.1746-0.3024 0.1950 ( 960 PWs) bands (ev): -37.3745 -26.9088 -25.9526 -13.4355 -9.5460 -1.8704 1.0983 5.4860 9.1134 11.5879 12.6679 14.2768 k = 0.1587-0.2749 0.1950 ( 954 PWs) bands (ev): -37.3821 -26.8588 -25.8594 -14.0014 -9.1926 -1.9189 0.9099 5.6914 9.1212 11.3336 12.5257 14.1065 k = 0.1429-0.2474 0.1950 ( 958 PWs) bands (ev): -37.3958 -26.8230 -25.7332 -14.5916 -8.8158 -1.9806 0.7230 5.8693 9.0451 11.0608 12.4328 14.0196 k = 0.1270-0.2199 0.1950 ( 960 PWs) bands (ev): -37.4091 -26.8009 -25.5668 -15.1818 -8.4227 -2.0525 0.5489 6.0225 8.9148 10.7705 12.3721 14.0360 k = 0.1111-0.1925 0.1950 ( 964 PWs) bands (ev): -37.4242 -26.7899 -25.3783 -15.7529 -8.0222 -2.1469 0.3904 6.1467 8.7589 10.4723 12.3125 14.1646 k = 0.0952-0.1650 0.1950 ( 960 PWs) bands (ev): -37.4355 -26.7900 -25.1508 -16.2984 -7.6248 -2.2412 0.2510 6.2433 8.6054 10.1838 12.2399 14.3966 k = 0.0794-0.1375 0.1950 ( 964 PWs) bands (ev): -37.4467 -26.7973 -24.9231 -16.8097 -7.2523 -2.3578 0.1309 6.3099 8.4670 9.9192 12.1554 14.6998 k = 0.0635-0.1100 0.1950 ( 962 PWs) bands (ev): -37.4567 -26.8045 -24.6983 -17.2668 -6.9094 -2.4754 0.0345 6.3599 8.3535 9.6902 12.0719 15.0442 k = 0.0476-0.0825 0.1950 ( 962 PWs) bands (ev): -37.4647 -26.8126 -24.4893 -17.6537 -6.6121 -2.5910 -0.0401 6.3887 8.2667 9.5048 11.9981 15.3995 k = 0.0317-0.0550 0.1950 ( 960 PWs) bands (ev): -37.4693 -26.8182 -24.3130 -17.9495 -6.3733 -2.6904 -0.0918 6.4055 8.2073 9.3688 11.9414 15.7354 k = 0.0159-0.0275 0.1950 ( 952 PWs) bands (ev): -37.4693 -26.8210 -24.1948 -18.1333 -6.2144 -2.7583 -0.1190 6.4171 8.1754 9.2861 11.9064 16.0067 k = 0.0000 0.0000 0.1950 ( 948 PWs) bands (ev): -37.4717 -26.8190 -24.1502 -18.1978 -6.1525 -2.7817 -0.1265 6.4207 8.1676 9.2583 11.8943 16.1220 k = 0.0000-0.0321 0.1950 ( 954 PWs) bands (ev): -37.4695 -26.8200 -24.1904 -18.1518 -6.2137 -2.7646 -0.1205 6.4038 8.1704 9.2791 11.9187 16.0562 k = 0.0000-0.0642 0.1950 ( 956 PWs) bands (ev): -37.4568 -26.8115 -24.2718 -18.0086 -6.3641 -2.7124 -0.0924 6.3591 8.1935 9.3428 11.9922 15.8875 k = 0.0000-0.0962 0.1950 ( 964 PWs) bands (ev): -37.4554 -26.7998 -24.4141 -17.7856 -6.5985 -2.6511 -0.0451 6.2747 8.2403 9.4472 12.1102 15.6546 k = 0.0000-0.1283 0.1950 ( 964 PWs) bands (ev): -37.4356 -26.7810 -24.5686 -17.4871 -6.8782 -2.5879 0.0279 6.1585 8.3213 9.5949 12.2692 15.3899 k = 0.0000-0.1604 0.1950 ( 966 PWs) bands (ev): -37.4206 -26.7580 -24.7532 -17.1305 -7.2013 -2.5408 0.1217 6.0047 8.4375 9.7823 12.4639 15.1075 k = 0.0000-0.1925 0.1950 ( 956 PWs) bands (ev): -37.3956 -26.7272 -24.9317 -16.7253 -7.5351 -2.4964 0.2412 5.8248 8.5929 10.0083 12.6896 14.8247 k = 0.0000-0.2245 0.1950 ( 960 PWs) bands (ev): -37.3739 -26.6989 -25.1346 -16.2924 -7.8910 -2.4959 0.3724 5.6090 8.7759 10.2663 12.9381 14.5492 k = 0.0000-0.2566 0.1950 ( 956 PWs) bands (ev): -37.3467 -26.6664 -25.3177 -15.8367 -8.2440 -2.5040 0.5170 5.3793 8.9835 10.5530 13.2053 14.3016 k = 0.0000-0.2887 0.1950 ( 958 PWs) bands (ev): -37.3215 -26.6393 -25.5024 -15.3700 -8.5970 -2.5336 0.6621 5.1354 9.1971 10.8596 13.4698 14.1070 k = 0.0000-0.3208 0.1950 ( 950 PWs) bands (ev): -37.2962 -26.6094 -25.6583 -14.9007 -8.9310 -2.5492 0.8111 4.8968 9.4001 11.1879 13.6558 14.0577 k = 0.0000-0.3528 0.1950 ( 950 PWs) bands (ev): -37.2714 -26.5868 -25.8041 -14.4391 -9.2594 -2.5803 0.9514 4.6585 9.5647 11.5390 13.6677 14.2487 k = 0.0000-0.3849 0.1950 ( 950 PWs) bands (ev): -37.2474 -26.5689 -25.9272 -13.9943 -9.5736 -2.5976 1.0829 4.4293 9.6725 11.9184 13.6641 14.5243 k = 0.0000-0.4170 0.1950 ( 958 PWs) bands (ev): -37.2287 -26.5672 -26.0338 -13.5768 -9.8754 -2.6345 1.1976 4.2194 9.7144 12.3204 13.7194 14.7944 k = 0.0000-0.4491 0.1950 ( 954 PWs) bands (ev): -37.2046 -26.5678 -26.0993 -13.1818 -10.1551 -2.6426 1.3024 4.0424 9.7043 12.7238 13.8573 15.0346 k = 0.0000-0.4811 0.1950 ( 958 PWs) bands (ev): -37.1940 -26.5818 -26.1464 -12.8257 -10.4217 -2.6552 1.3815 3.8921 9.6612 13.0670 14.0910 15.2280 k = 0.0000-0.5132 0.1950 ( 958 PWs) bands (ev): -37.1808 -26.5943 -26.1753 -12.5207 -10.6566 -2.6611 1.4437 3.7812 9.6117 13.3013 14.4153 15.3808 k = 0.0000-0.5453 0.1950 ( 952 PWs) bands (ev): -37.1694 -26.5981 -26.1851 -12.2938 -10.8322 -2.6477 1.4818 3.7131 9.5744 13.4287 14.7280 15.5021 k = 0.0000-0.5774 0.1950 ( 948 PWs) bands (ev): -37.1631 -26.6001 -26.1853 -12.2042 -10.9014 -2.6420 1.4970 3.6911 9.5610 13.4687 14.8606 15.5623 k = 0.0000-0.5774 0.1625 ( 950 PWs) bands (ev): -37.1634 -26.6028 -26.1871 -12.2049 -10.9015 -2.6432 1.4963 3.6901 9.5628 13.4724 14.7937 15.5944 k = 0.0000-0.5774 0.1300 ( 954 PWs) bands (ev): -37.1701 -26.6026 -26.1894 -12.2093 -10.9031 -2.6453 1.4943 3.6876 9.5676 13.4827 14.6397 15.6698 k = 0.0000-0.5774 0.0975 ( 948 PWs) bands (ev): -37.1654 -26.5977 -26.1849 -12.2032 -10.9009 -2.6432 1.4969 3.6903 9.5760 13.5018 14.4683 15.7705 k = 0.0000-0.5774 0.0650 ( 954 PWs) bands (ev): -37.1688 -26.6045 -26.1880 -12.2078 -10.9018 -2.6565 1.4954 3.6877 9.5836 13.5159 14.3211 15.8794 k = 0.0000-0.5774 0.0325 ( 950 PWs) bands (ev): -37.1677 -26.6016 -26.1865 -12.1989 -10.9013 -2.6476 1.4990 3.6881 9.5900 13.5311 14.2248 15.9760 k = 0.0000-0.5774 0.0000 ( 960 PWs) bands (ev): -37.1715 -26.6069 -26.1951 -12.2068 -10.9025 -2.6581 1.4862 3.6852 9.5900 13.5332 14.1903 16.0140 k = 0.0000-0.5453 0.0000 ( 950 PWs) bands (ev): -37.1697 -26.5943 -26.1811 -12.2848 -10.8304 -2.6407 1.4863 3.7105 9.6086 13.5036 14.0389 16.1061 k = 0.0000-0.5132 0.0000 ( 948 PWs) bands (ev): -37.1745 -26.5838 -26.1674 -12.5070 -10.6511 -2.6422 1.4532 3.7785 9.6557 13.3500 13.7469 16.2257 k = 0.0000-0.4811 0.0000 ( 952 PWs) bands (ev): -37.1920 -26.5717 -26.1467 -12.8178 -10.4205 -2.6476 1.3909 3.8856 9.7202 12.9695 13.5660 16.1818 k = 0.0000-0.4491 0.0000 ( 948 PWs) bands (ev): -37.2002 -26.5642 -26.0951 -13.1732 -10.1544 -2.6401 1.3137 4.0314 9.7864 12.4951 13.4505 15.9881 k = 0.0000-0.4170 0.0000 ( 952 PWs) bands (ev): -37.2205 -26.5647 -26.0299 -13.5713 -9.8756 -2.6345 1.2124 4.2064 9.8261 12.0271 13.3420 15.7272 k = 0.0000-0.3849 0.0000 ( 946 PWs) bands (ev): -37.2402 -26.5695 -25.9229 -13.9880 -9.5763 -2.6006 1.0978 4.4104 9.8144 11.6031 13.2403 15.4582 k = 0.0000-0.3528 0.0000 ( 942 PWs) bands (ev): -37.2642 -26.5829 -25.7953 -14.4334 -9.2565 -2.5740 0.9722 4.6321 9.7297 11.2355 13.1430 15.2202 k = 0.0000-0.3208 0.0000 ( 948 PWs) bands (ev): -37.2930 -26.6083 -25.6593 -14.8975 -8.9333 -2.5509 0.8259 4.8582 9.5691 10.9211 13.0427 15.0429 k = 0.0000-0.2887 0.0000 ( 948 PWs) bands (ev): -37.3188 -26.6360 -25.4939 -15.3663 -8.5937 -2.5199 0.6793 5.0940 9.3602 10.6464 12.9286 14.9576 k = 0.0000-0.2566 0.0000 ( 958 PWs) bands (ev): -37.3493 -26.6701 -25.3276 -15.8355 -8.2500 -2.5093 0.5287 5.3184 9.1323 10.3937 12.7840 14.9705 k = 0.0000-0.2245 0.0000 ( 958 PWs) bands (ev): -37.3745 -26.6999 -25.1378 -16.2895 -7.8952 -2.4982 0.3864 5.5337 8.9149 10.1586 12.6226 15.0713 k = 0.0000-0.1925 0.0000 ( 956 PWs) bands (ev): -37.3952 -26.7282 -24.9398 -16.7222 -7.5396 -2.5016 0.2582 5.7288 8.7243 9.9422 12.4559 15.2354 k = 0.0000-0.1604 0.0000 ( 944 PWs) bands (ev): -37.4053 -26.7508 -24.7321 -17.1158 -7.1874 -2.5199 0.1499 5.8981 8.5720 9.7510 12.3021 15.4399 k = 0.0000-0.1283 0.0000 ( 948 PWs) bands (ev): -37.4255 -26.7769 -24.5516 -17.4773 -6.8689 -2.5710 0.0552 6.0265 8.4552 9.5855 12.1619 15.6587 k = 0.0000-0.0962 0.0000 ( 950 PWs) bands (ev): -37.4446 -26.7974 -24.3947 -17.7776 -6.5849 -2.6366 -0.0180 6.1207 8.3778 9.4507 12.0473 15.8744 k = 0.0000-0.0642 0.0000 ( 956 PWs) bands (ev): -37.4623 -26.8134 -24.2816 -18.0074 -6.3632 -2.7103 -0.0697 6.1789 8.3315 9.3511 11.9634 16.0641 k = 0.0000-0.0321 0.0000 ( 975 PWs) bands (ev): -37.4797 -26.8299 -24.2264 -18.1579 -6.2455 -2.7770 -0.1043 6.2048 8.3040 9.2870 11.9093 16.1978 k = 0.0000 0.0000 0.0000 ( 971 PWs) bands (ev): -37.4708 -26.8320 -24.1915 -18.2036 -6.1904 -2.7935 -0.1121 6.2181 8.2980 9.2672 11.8943 16.2491 k = 0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4819 -26.8322 -24.2332 -18.1484 -6.2129 -2.7784 -0.1033 6.2171 8.3070 9.2570 11.9033 16.1508 k =-0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4811 -26.8309 -24.2116 -18.1884 -6.1761 -2.7987 -0.1049 6.1928 8.3017 9.2134 11.9070 16.2180 k = 0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4753 -26.8249 -24.3003 -17.9690 -6.2399 -2.7154 -0.0657 6.2297 8.3433 9.2345 11.9376 15.8991 k =-0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4617 -26.8184 -24.2234 -18.1318 -6.0888 -2.7987 -0.0711 6.1339 8.3111 9.0766 11.9577 16.1309 k = 0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4624 -26.8234 -24.4564 -17.7026 -6.3124 -2.6293 -0.0066 6.2361 8.3973 9.2020 11.9865 15.5595 k =-0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4590 -26.8112 -24.2605 -18.0473 -5.9719 -2.8154 -0.0258 6.0240 8.2653 8.9247 12.0387 15.9936 k = 0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4559 -26.8282 -24.6563 -17.3563 -6.4140 -2.5288 0.0732 6.2376 8.4775 9.1680 12.0346 15.1889 k =-0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4563 -26.8022 -24.3147 -17.9357 -5.8198 -2.8465 0.0307 5.8686 8.0800 8.8886 12.1520 15.8194 k = 0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4558 -26.8347 -24.8690 -16.9493 -6.5217 -2.4215 0.1789 6.2256 8.5892 9.1463 12.0651 14.8368 k =-0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4535 -26.7904 -24.3838 -17.7909 -5.6363 -2.9000 0.0995 5.6756 7.7777 8.9964 12.2969 15.6249 k = 0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4702 -26.8549 -25.0934 -16.5133 -6.6487 -2.3259 0.3054 6.1890 8.7247 9.1470 12.0426 14.5524 k =-0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4590 -26.7815 -24.4904 -17.6215 -5.4566 -2.9892 0.1688 5.4369 7.4576 9.1933 12.4618 15.4241 k = 0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4717 -26.8842 -25.3013 -16.0482 -6.7629 -2.2312 0.4636 6.1395 8.8748 9.1958 11.9447 14.3843 k =-0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4608 -26.7690 -24.5859 -17.4217 -5.2590 -3.0940 0.2419 5.1682 7.1880 9.4571 12.6436 15.2361 k = 0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4741 -26.9266 -25.4803 -15.5742 -6.8637 -2.1426 0.6483 6.0688 9.0068 9.3189 11.7653 14.3523 k =-0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4527 -26.7551 -24.6873 -17.1926 -5.0860 -3.2090 0.3131 4.8796 7.0020 9.7772 12.8333 15.0758 k = 0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4699 -26.9856 -25.6135 -15.0989 -6.9447 -2.0591 0.8626 5.9888 9.1139 9.5029 11.5514 14.4354 k =-0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4463 -26.7347 -24.7758 -16.9384 -4.9665 -3.2820 0.3751 4.5946 6.9048 10.1494 13.0179 14.9589 k = 0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4713 -27.0640 -25.7278 -14.6440 -7.0160 -1.9976 1.0919 5.8821 9.2005 9.6802 11.3863 14.5845 k =-0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4433 -26.7207 -24.8728 -16.6696 -4.9833 -3.2847 0.4086 4.3328 6.8773 10.5681 13.1815 14.8956 k = 0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4691 -27.1480 -25.8051 -14.2147 -7.0656 -1.9356 1.3400 5.7629 9.2483 9.7990 11.3802 14.7498 k =-0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4374 -26.7061 -24.9583 -16.3861 -5.1352 -3.1802 0.4161 4.1273 6.9040 11.0317 13.3242 14.8911 k = 0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4717 -27.2501 -25.8634 -13.8309 -7.1043 -1.8962 1.5937 5.6218 9.1914 9.8886 11.5734 14.8752 k =-0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4303 -26.6968 -25.0425 -16.1034 -5.4010 -3.0136 0.3876 3.9853 6.9602 11.5342 13.4477 14.9382 k = 0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4747 -27.3479 -25.9004 -13.4979 -7.1260 -1.8724 1.8504 5.4703 9.0173 10.0179 11.9068 14.9237 k =-0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4364 -26.6867 -25.1222 -15.8219 -5.7155 -2.8290 0.3357 3.9002 7.0279 12.0729 13.5666 15.0269 k = 0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4736 -27.4294 -25.9164 -13.2139 -7.1252 -1.8354 2.1069 5.3173 8.7963 10.1845 12.3026 14.8992 k =-0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4327 -26.6752 -25.1835 -15.5537 -6.0334 -2.6339 0.2713 3.8659 7.1010 12.6359 13.6947 15.1423 k = 0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4874 -27.4996 -25.9281 -13.0025 -7.1232 -1.8124 2.3401 5.1662 8.5822 10.3547 12.6869 14.8521 k =-0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4253 -26.6704 -25.2392 -15.3219 -6.3304 -2.4856 0.2042 3.8638 7.1554 13.1884 13.8525 15.2687 k = 0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4853 -27.5468 -25.9314 -12.8386 -7.1097 -1.7815 2.5405 5.0330 8.4100 10.5048 12.9882 14.8576 k =-0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4111 -26.6666 -25.2700 -15.1369 -6.5659 -2.3485 0.1488 3.8743 7.2046 13.6101 14.1299 15.3860 k = 0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4907 -27.5791 -25.9342 -12.7453 -7.1012 -1.7685 2.6739 4.9351 8.2982 10.6072 13.1571 14.9198 k =-0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4047 -26.6644 -25.3035 -15.0173 -6.7222 -2.2789 0.1096 3.8856 7.2287 13.7869 14.5583 15.4549 k = 0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4937 -27.6008 -25.9411 -12.7209 -7.1025 -1.7833 2.7170 4.8955 8.2569 10.6413 13.2027 14.9586 k =-0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4113 -26.6665 -25.3209 -14.9790 -6.7786 -2.2667 0.0879 3.8870 7.2331 13.8301 14.8007 15.4568 k = 0.5152-0.2624 0.0000 ( 952 PWs) bands (ev): -37.4894 -27.5894 -25.9357 -12.7290 -7.0988 -1.7604 2.7073 4.8879 8.2442 10.5743 13.2350 15.0219 k =-0.4848-0.3149 0.0000 ( 952 PWs) bands (ev): -37.4073 -26.6629 -25.3154 -14.9655 -6.7529 -2.2587 0.1045 3.8923 7.2293 13.7538 14.7620 15.5286 k = 0.5303-0.2362 0.0000 ( 944 PWs) bands (ev): -37.4740 -27.5623 -25.9322 -12.7581 -7.0944 -1.7095 2.6609 4.8546 8.2088 10.3806 13.3450 15.1903 k =-0.4697-0.3412 0.0000 ( 944 PWs) bands (ev): -37.4007 -26.6610 -25.3387 -14.9295 -6.6910 -2.2686 0.1418 3.9015 7.2115 13.5228 14.7269 15.6720 k = 0.5455-0.2099 0.0000 ( 950 PWs) bands (ev): -37.4726 -27.5329 -25.9374 -12.8232 -7.0978 -1.6581 2.5686 4.7957 8.1635 10.0832 13.5387 15.4272 k =-0.4545-0.3674 0.0000 ( 950 PWs) bands (ev): -37.3998 -26.6648 -25.4013 -14.8739 -6.6023 -2.3246 0.1936 3.9132 7.1703 13.1653 14.7612 15.8179 k = 0.5606-0.1837 0.0000 ( 950 PWs) bands (ev): -37.4605 -27.4833 -25.9383 -12.8991 -7.0959 -1.5928 2.4386 4.7243 8.1095 9.7578 13.8125 15.7129 k =-0.4394-0.3936 0.0000 ( 950 PWs) bands (ev): -37.3941 -26.6734 -25.4744 -14.7959 -6.4944 -2.3837 0.2660 3.9296 7.1241 12.7431 14.8631 15.9527 k = 0.5758-0.1575 0.0000 ( 948 PWs) bands (ev): -37.4439 -27.4229 -25.9392 -12.9883 -7.0968 -1.5312 2.2853 4.6440 8.0129 9.4990 14.1355 16.0369 k =-0.4242-0.4199 0.0000 ( 948 PWs) bands (ev): -37.3842 -26.6826 -25.5614 -14.6947 -6.3851 -2.4396 0.3653 3.9483 7.0752 12.3028 15.0181 16.0777 k = 0.5909-0.1312 0.0000 ( 948 PWs) bands (ev): -37.4301 -27.3530 -25.9426 -13.0886 -7.0969 -1.4959 2.1118 4.5575 7.8292 9.4011 14.4844 16.3927 k =-0.4091-0.4461 0.0000 ( 948 PWs) bands (ev): -37.3767 -26.6980 -25.6491 -14.5739 -6.3097 -2.4747 0.4858 3.9651 7.0318 11.8772 15.2169 16.1925 k = 0.6061-0.1050 0.0000 ( 940 PWs) bands (ev): -37.4054 -27.2706 -25.9410 -13.1915 -7.0936 -1.4901 1.9420 4.4698 7.5806 9.4854 14.8434 16.7782 k =-0.3939-0.4724 0.0000 ( 940 PWs) bands (ev): -37.3639 -26.7155 -25.7206 -14.4263 -6.2852 -2.4582 0.6336 3.9848 7.0065 11.4949 15.4537 16.2966 k = 0.6212-0.0787 0.0000 ( 940 PWs) bands (ev): -37.3913 -27.1775 -25.9464 -13.3067 -7.0864 -1.5429 1.7705 4.3726 7.3371 9.6959 15.2002 17.1843 k =-0.3788-0.4986 0.0000 ( 940 PWs) bands (ev): -37.3517 -26.7490 -25.8008 -14.2669 -6.3402 -2.4211 0.7945 4.0064 6.9862 11.1674 15.7134 16.3868 k = 0.6364-0.0525 0.0000 ( 940 PWs) bands (ev): -37.3664 -27.0846 -25.9540 -13.4205 -7.0750 -1.6718 1.6109 4.2759 7.1582 9.9845 15.5437 17.4072 k =-0.3636-0.5249 0.0000 ( 940 PWs) bands (ev): -37.3414 -26.7911 -25.8745 -14.0843 -6.4827 -2.3443 0.9665 4.0329 6.9871 10.9150 15.9680 16.4766 k = 0.6515-0.0262 0.0000 ( 942 PWs) bands (ev): -37.3508 -26.9913 -25.9643 -13.5434 -7.0584 -1.8734 1.4651 4.1809 7.0671 10.3190 15.8585 17.2002 k =-0.3485-0.5511 0.0000 ( 942 PWs) bands (ev): -37.3412 -26.8383 -25.9302 -13.8888 -6.7136 -2.2361 1.1478 4.0651 7.0126 10.7481 16.1262 16.6340 k =-0.3333 0.5774 0.0325 ( 939 PWs) bands (ev): -37.3298 -26.8923 -25.9685 -13.6717 -7.0201 -2.1116 1.3264 4.1028 7.0725 10.6711 16.1390 16.9037 k =-0.3333 0.5774 0.0650 ( 945 PWs) bands (ev): -37.3304 -26.8987 -25.9741 -13.6739 -7.0292 -2.1178 1.3204 4.1019 7.0718 10.6615 16.1899 16.8987 k =-0.3333 0.5774 0.0975 ( 945 PWs) bands (ev): -37.3301 -26.8987 -25.9743 -13.6740 -7.0295 -2.1178 1.3195 4.1028 7.0709 10.6567 16.2490 16.9011 k =-0.3333 0.5774 0.1300 ( 936 PWs) bands (ev): -37.3365 -26.8939 -25.9652 -13.6723 -7.0260 -2.1108 1.3286 4.1063 7.0712 10.6575 16.2980 16.9172 k =-0.3333 0.5774 0.1625 ( 927 PWs) bands (ev): -37.3336 -26.8874 -25.9554 -13.6695 -7.0176 -2.1007 1.3307 4.1105 7.0716 10.6617 16.3227 16.9411 k =-0.3175-0.5499-0.1950 ( 922 PWs) bands (ev): -37.3074 -26.7857 -25.9539 -13.8125 -6.9624 -2.3870 1.1886 4.0538 7.1628 11.0395 16.3392 16.7245 k = 0.6349-0.0000 0.1950 ( 922 PWs) bands (ev): -37.3471 -26.9223 -25.9054 -13.7642 -6.7189 -1.9266 1.2853 4.1431 6.9595 10.3406 16.0972 16.9505 k =-0.3016-0.5224-0.1950 ( 934 PWs) bands (ev): -37.3087 -26.6985 -25.9564 -13.9836 -6.8993 -2.7207 1.0431 4.0153 7.3235 11.3864 15.9199 16.6007 k = 0.6032-0.0000 0.1950 ( 934 PWs) bands (ev): -37.3805 -26.9659 -25.8693 -13.8838 -6.4635 -1.7818 1.2389 4.1608 6.8620 10.0700 15.7232 16.8148 k =-0.2857-0.4949-0.1950 ( 944 PWs) bands (ev): -37.3022 -26.6244 -25.9436 -14.1668 -6.8111 -3.0575 0.9106 3.9990 7.5331 11.6924 15.2988 16.4444 k = 0.5714-0.0000 0.1950 ( 944 PWs) bands (ev): -37.4051 -26.9944 -25.8317 -14.0185 -6.2301 -1.6666 1.2065 4.1816 6.7675 9.8880 15.2443 16.5634 k =-0.2698-0.4674-0.1950 ( 940 PWs) bands (ev): -37.2968 -26.5653 -25.8997 -14.3716 -6.7022 -3.3503 0.8086 4.0018 7.7696 11.9597 14.6304 16.2381 k = 0.5397-0.0000 0.1950 ( 940 PWs) bands (ev): -37.4235 -27.0061 -25.7860 -14.1745 -6.0080 -1.5855 1.1983 4.2148 6.6623 9.8112 14.7082 16.2530 k =-0.2540-0.4399-0.1950 ( 948 PWs) bands (ev): -37.3004 -26.5312 -25.8398 -14.5998 -6.5956 -3.6137 0.7182 4.0083 8.0023 12.1787 13.9732 15.9881 k = 0.5079-0.0000 0.1950 ( 948 PWs) bands (ev): -37.4486 -27.0149 -25.7406 -14.3624 -5.8050 -1.5796 1.1896 4.2628 6.5464 9.8305 14.1516 15.9238 k =-0.2381-0.4124-0.1950 ( 952 PWs) bands (ev): -37.3049 -26.5165 -25.7554 -14.8484 -6.4973 -3.8086 0.6588 4.0252 8.2092 12.3516 13.3811 15.7046 k = 0.4762-0.0000 0.1950 ( 952 PWs) bands (ev): -37.4685 -27.0117 -25.6881 -14.5763 -5.6146 -1.6325 1.1782 4.3397 6.4377 9.9296 13.6111 15.5979 k =-0.2222-0.3849-0.1950 ( 954 PWs) bands (ev): -37.3072 -26.5183 -25.6489 -15.1168 -6.4251 -3.9140 0.6226 4.0550 8.3674 12.3431 13.0252 15.3994 k = 0.4444-0.0000 0.1950 ( 954 PWs) bands (ev): -37.4767 -27.0002 -25.6281 -14.8148 -5.4468 -1.7349 1.1481 4.4479 6.3568 10.0732 13.1200 15.2798 k =-0.2063-0.3574-0.1950 ( 966 PWs) bands (ev): -37.3252 -26.5341 -25.5491 -15.4087 -6.3971 -3.9442 0.5942 4.1036 8.4533 11.9588 13.1170 15.0830 k = 0.4127-0.0000 0.1950 ( 966 PWs) bands (ev): -37.5010 -26.9868 -25.5696 -15.0828 -5.3065 -1.8996 1.0831 4.5832 6.3125 10.2075 12.7213 14.9642 k =-0.1905-0.3299-0.1950 ( 962 PWs) bands (ev): -37.3301 -26.5551 -25.4130 -15.7053 -6.3966 -3.8642 0.5774 4.1921 8.4778 11.4787 13.3897 14.7719 k = 0.3810-0.0000 0.1950 ( 962 PWs) bands (ev): -37.5008 -26.9620 -25.4895 -15.3639 -5.1948 -2.0488 0.9946 4.7559 6.3306 10.2677 12.4773 14.6516 k =-0.1746-0.3024-0.1950 ( 960 PWs) bands (ev): -37.3383 -26.5839 -25.2751 -16.0107 -6.4208 -3.7218 0.5522 4.3233 8.4428 11.0127 13.7148 14.4685 k = 0.3492-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4980 -26.9373 -25.3983 -15.6628 -5.1328 -2.2032 0.8798 4.9496 6.4088 10.1879 12.4371 14.3431 k =-0.1587-0.2749-0.1950 ( 954 PWs) bands (ev): -37.3487 -26.6106 -25.1290 -16.3081 -6.4451 -3.5431 0.5163 4.5032 8.3710 10.5812 13.9851 14.2490 k = 0.3175-0.0000 0.1950 ( 954 PWs) bands (ev): -37.4965 -26.9056 -25.2869 -15.9650 -5.1187 -2.3365 0.7517 5.1540 6.5514 9.9829 12.5739 14.0547 k =-0.1429-0.2474-0.1950 ( 958 PWs) bands (ev): -37.3659 -26.6439 -24.9941 -16.6092 -6.4722 -3.3633 0.4522 4.7269 8.2886 10.1844 13.7969 14.4865 k = 0.2857-0.0000 0.1950 ( 958 PWs) bands (ev): -37.4969 -26.8832 -25.1780 -16.2807 -5.1700 -2.4610 0.6074 5.3550 6.7551 9.7085 12.7844 13.8250 k =-0.1270-0.2199-0.1950 ( 960 PWs) bands (ev): -37.3835 -26.6760 -24.8557 -16.8996 -6.4821 -3.1834 0.3714 4.9842 8.2222 9.8315 13.5012 14.8135 k = 0.2540-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4964 -26.8642 -25.0478 -16.5958 -5.2723 -2.5522 0.4684 5.5504 7.0180 9.4223 12.9037 13.7697 k =-0.1111-0.1925-0.1950 ( 964 PWs) bands (ev): -37.4029 -26.7082 -24.7234 -17.1764 -6.4754 -3.0280 0.2771 5.2540 8.1861 9.5308 13.2030 15.1143 k = 0.2222-0.0000 0.1950 ( 964 PWs) bands (ev): -37.4965 -26.8541 -24.9102 -16.9065 -5.4159 -2.6221 0.3355 5.7328 7.3234 9.1538 12.8116 13.9793 k =-0.0952-0.1650-0.1950 ( 960 PWs) bands (ev): -37.4180 -26.7335 -24.5916 -17.4256 -6.4408 -2.9022 0.1806 5.5288 8.1851 9.2948 12.9178 15.3753 k = 0.1905-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4892 -26.8410 -24.7592 -17.1974 -5.5710 -2.6688 0.2163 5.9059 7.6519 8.9269 12.6236 14.3281 k =-0.0794-0.1375-0.1950 ( 964 PWs) bands (ev): -37.4309 -26.7609 -24.4780 -17.6516 -6.3943 -2.8230 0.0895 5.7792 8.2009 9.1423 12.6477 15.5948 k = 0.1587-0.0000 0.1950 ( 964 PWs) bands (ev): -37.4849 -26.8339 -24.6103 -17.4730 -5.7324 -2.7078 0.1111 6.0538 7.9641 8.7649 12.4237 14.7151 k =-0.0635-0.1100-0.1950 ( 962 PWs) bands (ev): -37.4423 -26.7824 -24.3714 -17.8425 -6.3326 -2.7776 0.0103 6.0022 8.2083 9.0869 12.4037 15.7766 k = 0.1270-0.0000 0.1950 ( 962 PWs) bands (ev): -37.4796 -26.8292 -24.4637 -17.7160 -5.8775 -2.7339 0.0251 6.1831 8.1806 8.7300 12.2436 15.1048 k =-0.0476-0.0825-0.1950 ( 962 PWs) bands (ev): -37.4526 -26.8009 -24.2873 -17.9981 -6.2723 -2.7644 -0.0531 6.1812 8.1949 9.1144 12.1944 15.9214 k = 0.0952-0.0000 0.1950 ( 962 PWs) bands (ev): -37.4759 -26.8271 -24.3408 -17.9204 -6.0024 -2.7568 -0.0440 6.2850 8.2239 8.8733 12.0946 15.4717 k =-0.0317-0.0550-0.1950 ( 960 PWs) bands (ev): -37.4595 -26.8141 -24.2221 -18.1123 -6.2168 -2.7685 -0.0974 6.3131 8.1760 9.1795 12.0319 16.0296 k = 0.0635-0.0000 0.1950 ( 960 PWs) bands (ev): -37.4723 -26.8254 -24.2426 -18.0746 -6.0944 -2.7726 -0.0933 6.3592 8.1958 9.0668 11.9841 15.7918 k =-0.0159-0.0275-0.1950 ( 952 PWs) bands (ev): -37.4628 -26.8178 -24.1699 -18.1772 -6.1700 -2.7777 -0.1200 6.3931 8.1673 9.2367 11.9299 16.0991 k = 0.0317-0.0000 0.1950 ( 952 PWs) bands (ev): -37.4682 -26.8216 -24.1728 -18.1658 -6.1397 -2.7791 -0.1198 6.4058 8.1726 9.2079 11.9171 16.0288 k = 0.0278-0.0160 0.1950 ( 954 PWs) bands (ev): -37.4749 -26.8225 -24.1911 -18.1410 -6.1820 -2.7667 -0.1195 6.4147 8.1766 9.2500 11.9058 15.9900 k =-0.0278-0.0160 0.1950 ( 954 PWs) bands (ev): -37.4680 -26.8192 -24.1680 -18.1836 -6.1371 -2.7873 -0.1204 6.3925 8.1680 9.1997 11.9296 16.0828 k = 0.0556-0.0321 0.1950 ( 956 PWs) bands (ev): -37.4663 -26.8232 -24.2993 -17.9728 -6.2377 -2.7148 -0.0873 6.4090 8.2147 9.2291 11.9405 15.6807 k =-0.0556-0.0321 0.1950 ( 956 PWs) bands (ev): -37.4649 -26.8190 -24.1972 -18.1373 -6.0727 -2.7969 -0.0955 6.3123 8.1749 9.0427 12.0326 15.9744 k = 0.0833-0.0481 0.1950 ( 964 PWs) bands (ev): -37.4786 -26.8278 -24.4682 -17.7094 -6.3290 -2.6419 -0.0350 6.3900 8.2808 9.1998 11.9954 15.2864 k =-0.0833-0.0481 0.1950 ( 964 PWs) bands (ev): -37.4683 -26.8148 -24.2585 -18.0589 -5.9769 -2.8219 -0.0544 6.1783 8.1548 8.8518 12.1942 15.8149 k = 0.1111-0.0642 0.1950 ( 964 PWs) bands (ev): -37.4689 -26.8323 -24.6668 -17.3657 -6.4261 -2.5423 0.0460 6.3674 8.3798 9.1753 12.0670 14.8589 k =-0.1111-0.0642 0.1950 ( 964 PWs) bands (ev): -37.4637 -26.8055 -24.3194 -17.9441 -5.8291 -2.8577 0.0036 6.0034 8.0137 8.7695 12.4031 15.6213 k = 0.1389-0.0802 0.1950 ( 966 PWs) bands (ev): -37.4700 -26.8414 -24.8862 -16.9642 -6.5406 -2.4392 0.1519 6.3287 8.5069 9.1652 12.1465 14.4290 k =-0.1389-0.0802 0.1950 ( 966 PWs) bands (ev): -37.4670 -26.7956 -24.3972 -17.8016 -5.6538 -2.9155 0.0706 5.7868 7.7316 8.8574 12.6463 15.4069 k = 0.1667-0.0962 0.1950 ( 956 PWs) bands (ev): -37.4682 -26.8532 -25.0849 -16.5165 -6.6426 -2.3254 0.2902 6.2811 8.6590 9.1873 12.2131 14.0391 k =-0.1667-0.0962 0.1950 ( 956 PWs) bands (ev): -37.4561 -26.7811 -24.4808 -17.6243 -5.4523 -2.9931 0.1519 5.5454 7.4220 9.0562 12.9152 15.1871 k = 0.1944-0.1123 0.1950 ( 960 PWs) bands (ev): -37.4718 -26.8822 -25.2938 -16.0497 -6.7573 -2.2340 0.4496 6.2094 8.8071 9.2561 12.2245 13.7434 k =-0.1944-0.1123 0.1950 ( 960 PWs) bands (ev): -37.4556 -26.7706 -24.5769 -17.4270 -5.2573 -3.0991 0.2281 5.2535 7.1580 9.3229 13.1986 14.9701 k = 0.2222-0.1283 0.1950 ( 956 PWs) bands (ev): -37.4697 -26.9254 -25.4712 -15.5717 -6.8563 -2.1438 0.6368 6.1289 8.9381 9.3842 12.1405 13.6129 k =-0.2222-0.1283 0.1950 ( 956 PWs) bands (ev): -37.4517 -26.7536 -24.6696 -17.1978 -5.0786 -3.2035 0.2993 4.9449 6.9775 9.6441 13.4941 14.7711 k = 0.2500-0.1443 0.1950 ( 958 PWs) bands (ev): -37.4707 -26.9901 -25.6273 -15.1031 -6.9457 -2.0747 0.8461 6.0260 9.0452 9.5442 11.9890 13.6487 k =-0.2500-0.1443 0.1950 ( 958 PWs) bands (ev): -37.4531 -26.7404 -24.7734 -16.9467 -4.9762 -3.2858 0.3548 4.6380 6.8801 10.0108 13.7884 14.6012 k = 0.2778-0.1604 0.1950 ( 950 PWs) bands (ev): -37.4746 -27.0640 -25.7286 -14.6466 -7.0109 -2.0013 1.0773 5.9141 9.1374 9.6857 11.8771 13.7967 k =-0.2778-0.1604 0.1950 ( 950 PWs) bands (ev): -37.4386 -26.7238 -24.8717 -16.6759 -4.9907 -3.2851 0.3918 4.3777 6.8567 10.4202 14.0680 14.4809 k = 0.3056-0.1764 0.1950 ( 950 PWs) bands (ev): -37.4763 -27.1549 -25.8098 -14.2220 -7.0663 -1.9484 1.3232 5.7825 9.1763 9.7855 11.9027 13.9945 k =-0.3056-0.1764 0.1950 ( 950 PWs) bands (ev): -37.4362 -26.7099 -24.9630 -16.3942 -5.1468 -3.1874 0.3962 4.1607 6.8846 10.8644 14.2513 14.4875 k = 0.3333-0.1925 0.1950 ( 950 PWs) bands (ev): -37.4776 -27.2526 -25.8597 -13.8372 -7.1021 -1.9045 1.5822 5.6383 9.1168 9.8855 12.0917 14.1999 k =-0.3333-0.1925 0.1950 ( 950 PWs) bands (ev): -37.4324 -26.6992 -25.0529 -16.1068 -5.4047 -3.0294 0.3740 4.0096 6.9448 11.3376 14.2694 14.6923 k = 0.3611-0.2085 0.1950 ( 958 PWs) bands (ev): -37.4817 -27.3506 -25.9022 -13.5059 -7.1251 -1.8804 1.8379 5.4789 8.9520 10.0267 12.3961 14.3771 k =-0.3611-0.2085 0.1950 ( 958 PWs) bands (ev): -37.4374 -26.6906 -25.1347 -15.8254 -5.7206 -2.8489 0.3223 3.9174 7.0158 11.8308 14.2903 14.9288 k = 0.3889-0.2245 0.1950 ( 954 PWs) bands (ev): -37.4793 -27.4300 -25.9191 -13.2224 -7.1277 -1.8403 2.0947 5.3231 8.7446 10.2012 12.7424 14.5123 k =-0.3889-0.2245 0.1950 ( 954 PWs) bands (ev): -37.4280 -26.6804 -25.1944 -15.5576 -6.0377 -2.6560 0.2619 3.8803 7.0904 12.3316 14.3570 15.1606 k = 0.4167-0.2406 0.1950 ( 958 PWs) bands (ev): -37.4864 -27.5033 -25.9343 -13.0068 -7.1247 -1.8193 2.3320 5.1641 8.5394 10.3772 13.0444 14.6313 k =-0.4167-0.2406 0.1950 ( 958 PWs) bands (ev): -37.4284 -26.6740 -25.2489 -15.3250 -6.3345 -2.4984 0.1952 3.8712 7.1509 12.8114 14.4682 15.3878 k = 0.4444-0.2566 0.1950 ( 958 PWs) bands (ev): -37.4885 -27.5567 -25.9398 -12.8516 -7.1178 -1.7959 2.5342 5.0282 8.3739 10.5317 13.2325 14.7845 k =-0.4444-0.2566 0.1950 ( 958 PWs) bands (ev): -37.4177 -26.6658 -25.2850 -15.1368 -6.5715 -2.3707 0.1417 3.8796 7.1973 13.2245 14.6238 15.6233 k = 0.4722-0.2726 0.1950 ( 952 PWs) bands (ev): -37.4881 -27.5839 -25.9391 -12.7514 -7.1067 -1.7691 2.6735 4.9321 8.2673 10.6401 13.3073 14.9463 k =-0.4722-0.2726 0.1950 ( 952 PWs) bands (ev): -37.4010 -26.6610 -25.3036 -15.0149 -6.7225 -2.2823 0.1073 3.8916 7.2291 13.5035 14.7919 15.8937 k = 0.5000-0.2887 0.1950 ( 948 PWs) bands (ev): -37.4832 -27.5915 -25.9374 -12.7147 -7.1005 -1.7602 2.7252 4.8969 8.2307 10.6786 13.3246 15.0170 k =-0.5000-0.2887 0.1950 ( 948 PWs) bands (ev): -37.3993 -26.6595 -25.3060 -14.9737 -6.7726 -2.2465 0.0959 3.8960 7.2419 13.6004 14.8735 16.1657 k = 0.5000-0.2887 0.1625 ( 950 PWs) bands (ev): -37.4836 -27.5945 -25.9383 -12.7148 -7.1005 -1.7648 2.7253 4.8960 8.2322 10.6755 13.3169 15.0052 k =-0.5000-0.2887 0.1625 ( 950 PWs) bands (ev): -37.3999 -26.6616 -25.3060 -14.9749 -6.7758 -2.2475 0.0956 3.8948 7.2414 13.6128 14.8772 16.0082 k = 0.5000-0.2887 0.1300 ( 954 PWs) bands (ev): -37.4921 -27.5947 -25.9408 -12.7211 -7.1037 -1.7656 2.7226 4.8953 8.2370 10.6690 13.2958 14.9786 k =-0.5000-0.2887 0.1300 ( 954 PWs) bands (ev): -37.4013 -26.6635 -25.3162 -14.9737 -6.7774 -2.2646 0.0931 3.8943 7.2360 13.6478 14.8822 15.7921 k = 0.5000-0.2887 0.0975 ( 948 PWs) bands (ev): -37.4897 -27.5911 -25.9373 -12.7169 -7.1012 -1.7579 2.7242 4.9007 8.2456 10.6620 13.2686 14.9596 k =-0.5000-0.2887 0.0975 ( 948 PWs) bands (ev): -37.4023 -26.6613 -25.3051 -14.9747 -6.7708 -2.2454 0.0957 3.8941 7.2408 13.7014 14.8829 15.6166 k = 0.5000-0.2887 0.0650 ( 954 PWs) bands (ev): -37.4917 -27.5952 -25.9418 -12.7222 -7.1029 -1.7674 2.7213 4.8980 8.2516 10.6520 13.2360 14.9520 k =-0.5000-0.2887 0.0650 ( 954 PWs) bands (ev): -37.4057 -26.6623 -25.3119 -14.9754 -6.7737 -2.2565 0.0936 3.8914 7.2369 13.7608 14.8582 15.5091 k = 0.5000-0.2887 0.0325 ( 950 PWs) bands (ev): -37.4907 -27.5923 -25.9344 -12.7156 -7.0988 -1.7679 2.7257 4.9003 8.2574 10.6459 13.2138 14.9574 k =-0.5000-0.2887 0.0325 ( 950 PWs) bands (ev): -37.4060 -26.6622 -25.3031 -14.9754 -6.7727 -2.2474 0.0964 3.8904 7.2389 13.8113 14.8210 15.4668 k = 0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4937 -27.6008 -25.9411 -12.7209 -7.1025 -1.7833 2.7170 4.8955 8.2569 10.6413 13.2027 14.9586 k =-0.5000-0.2887 0.0000 ( 960 PWs) bands (ev): -37.4113 -26.6665 -25.3209 -14.9790 -6.7786 -2.2667 0.0879 3.8870 7.2331 13.8301 14.8007 15.4567 k = 0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4907 -27.5791 -25.9342 -12.7453 -7.1012 -1.7685 2.6739 4.9351 8.2982 10.6072 13.1572 14.9198 k =-0.4722-0.2726 0.0000 ( 950 PWs) bands (ev): -37.4047 -26.6644 -25.3035 -15.0173 -6.7222 -2.2789 0.1096 3.8856 7.2287 13.7869 14.5583 15.4549 k = 0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4853 -27.5468 -25.9314 -12.8386 -7.1097 -1.7815 2.5405 5.0330 8.4100 10.5048 12.9882 14.8575 k =-0.4444-0.2566 0.0000 ( 948 PWs) bands (ev): -37.4111 -26.6666 -25.2700 -15.1369 -6.5659 -2.3485 0.1488 3.8743 7.2046 13.6101 14.1299 15.3859 k = 0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4874 -27.4996 -25.9281 -13.0025 -7.1232 -1.8124 2.3401 5.1662 8.5822 10.3547 12.6870 14.8521 k =-0.4167-0.2406 0.0000 ( 952 PWs) bands (ev): -37.4253 -26.6704 -25.2392 -15.3219 -6.3304 -2.4856 0.2042 3.8638 7.1554 13.1884 13.8525 15.2687 k = 0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4736 -27.4294 -25.9164 -13.2139 -7.1252 -1.8354 2.1069 5.3173 8.7963 10.1845 12.3026 14.8991 k =-0.3889-0.2245 0.0000 ( 948 PWs) bands (ev): -37.4327 -26.6752 -25.1835 -15.5537 -6.0334 -2.6339 0.2713 3.8659 7.1010 12.6359 13.6947 15.1423 k = 0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4747 -27.3479 -25.9004 -13.4979 -7.1260 -1.8724 1.8504 5.4703 9.0173 10.0179 11.9068 14.9237 k =-0.3611-0.2085 0.0000 ( 952 PWs) bands (ev): -37.4364 -26.6867 -25.1222 -15.8219 -5.7155 -2.8290 0.3357 3.9002 7.0279 12.0729 13.5666 15.0269 k = 0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4717 -27.2501 -25.8634 -13.8309 -7.1043 -1.8962 1.5937 5.6218 9.1914 9.8886 11.5734 14.8752 k =-0.3333-0.1925 0.0000 ( 946 PWs) bands (ev): -37.4303 -26.6968 -25.0425 -16.1034 -5.4010 -3.0136 0.3876 3.9853 6.9602 11.5342 13.4477 14.9382 k = 0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4691 -27.1480 -25.8051 -14.2147 -7.0656 -1.9356 1.3400 5.7629 9.2483 9.7990 11.3802 14.7498 k =-0.3056-0.1764 0.0000 ( 942 PWs) bands (ev): -37.4374 -26.7061 -24.9583 -16.3861 -5.1352 -3.1802 0.4161 4.1273 6.9040 11.0317 13.3242 14.8910 k = 0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4713 -27.0640 -25.7278 -14.6440 -7.0160 -1.9976 1.0919 5.8821 9.2005 9.6802 11.3863 14.5845 k =-0.2778-0.1604 0.0000 ( 948 PWs) bands (ev): -37.4433 -26.7207 -24.8728 -16.6696 -4.9833 -3.2847 0.4086 4.3328 6.8773 10.5681 13.1815 14.8955 k = 0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4699 -26.9856 -25.6135 -15.0989 -6.9447 -2.0591 0.8626 5.9888 9.1139 9.5029 11.5514 14.4354 k =-0.2500-0.1443 0.0000 ( 948 PWs) bands (ev): -37.4463 -26.7347 -24.7758 -16.9384 -4.9665 -3.2820 0.3751 4.5946 6.9048 10.1494 13.0179 14.9589 k = 0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4741 -26.9266 -25.4803 -15.5742 -6.8637 -2.1426 0.6483 6.0688 9.0068 9.3189 11.7653 14.3523 k =-0.2222-0.1283 0.0000 ( 958 PWs) bands (ev): -37.4527 -26.7551 -24.6873 -17.1926 -5.0860 -3.2090 0.3131 4.8796 7.0020 9.7772 12.8333 15.0758 k = 0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4717 -26.8842 -25.3013 -16.0482 -6.7629 -2.2312 0.4636 6.1395 8.8748 9.1958 11.9446 14.3843 k =-0.1944-0.1123 0.0000 ( 958 PWs) bands (ev): -37.4608 -26.7690 -24.5859 -17.4217 -5.2590 -3.0940 0.2419 5.1682 7.1880 9.4571 12.6436 15.2360 k = 0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4702 -26.8549 -25.0934 -16.5133 -6.6487 -2.3259 0.3054 6.1890 8.7247 9.1470 12.0426 14.5524 k =-0.1667-0.0962 0.0000 ( 956 PWs) bands (ev): -37.4590 -26.7815 -24.4904 -17.6215 -5.4566 -2.9892 0.1688 5.4369 7.4576 9.1933 12.4618 15.4241 k = 0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4558 -26.8347 -24.8690 -16.9493 -6.5217 -2.4215 0.1789 6.2256 8.5892 9.1463 12.0651 14.8368 k =-0.1389-0.0802 0.0000 ( 944 PWs) bands (ev): -37.4535 -26.7904 -24.3838 -17.7909 -5.6363 -2.9000 0.0995 5.6756 7.7777 8.9964 12.2969 15.6249 k = 0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4559 -26.8282 -24.6563 -17.3563 -6.4140 -2.5288 0.0732 6.2376 8.4775 9.1680 12.0346 15.1888 k =-0.1111-0.0642 0.0000 ( 948 PWs) bands (ev): -37.4563 -26.8022 -24.3147 -17.9357 -5.8198 -2.8465 0.0307 5.8686 8.0800 8.8886 12.1520 15.8194 k = 0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4624 -26.8234 -24.4564 -17.7026 -6.3124 -2.6293 -0.0066 6.2361 8.3973 9.2020 11.9865 15.5595 k =-0.0833-0.0481 0.0000 ( 950 PWs) bands (ev): -37.4590 -26.8112 -24.2605 -18.0473 -5.9719 -2.8154 -0.0258 6.0240 8.2653 8.9247 12.0387 15.9938 k = 0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4753 -26.8249 -24.3003 -17.9690 -6.2399 -2.7154 -0.0657 6.2297 8.3433 9.2345 11.9376 15.8992 k =-0.0556-0.0321 0.0000 ( 956 PWs) bands (ev): -37.4617 -26.8184 -24.2234 -18.1318 -6.0888 -2.7987 -0.0711 6.1339 8.3111 9.0766 11.9577 16.1309 k = 0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4819 -26.8322 -24.2332 -18.1484 -6.2129 -2.7784 -0.1033 6.2171 8.3070 9.2570 11.9033 16.1508 k =-0.0278-0.0160 0.0000 ( 975 PWs) bands (ev): -37.4811 -26.8309 -24.2116 -18.1884 -6.1761 -2.7987 -0.1049 6.1928 8.3017 9.2134 11.9070 16.2181 the Fermi energy is 6.5545 ev ! total energy = -12.66103195 Ry Harris-Foulkes estimate = -12.66103201 Ry estimated scf accuracy < 0.00000009 Ry The total energy is the sum of the following terms: one-electron contribution = -202.15878127 Ry hartree contribution = 105.78748440 Ry xc contribution = -19.46578240 Ry ewald contribution = 103.21002330 Ry Dispersion Correction = -0.03480826 Ry smearing contrib. (-TS) = 0.00083227 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 0.00 Bohr mag/cell convergence has been achieved in 11 iterations Writing output data file graphite.save init_run : 13.66s CPU 16.02s WALL ( 1 calls) electrons : 526.52s CPU 534.31s WALL ( 1 calls) Called by init_run: wfcinit : 12.65s CPU 14.98s WALL ( 1 calls) potinit : 0.20s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 479.61s CPU 486.87s WALL ( 11 calls) sum_band : 44.07s CPU 44.48s WALL ( 11 calls) v_of_rho : 1.47s CPU 1.48s WALL ( 12 calls) newd : 0.64s CPU 0.64s WALL ( 12 calls) mix_rho : 0.10s CPU 0.12s WALL ( 11 calls) Called by c_bands: init_us_2 : 7.50s CPU 7.74s WALL ( 12972 calls) ccgdiagg : 386.54s CPU 390.05s WALL ( 6204 calls) wfcrot : 98.88s CPU 100.49s WALL ( 6204 calls) Called by *cgdiagg: h_psi : 359.19s CPU 362.91s WALL ( 265523 calls) s_psi : 72.00s CPU 73.09s WALL ( 524842 calls) cdiaghg : 0.72s CPU 0.97s WALL ( 6204 calls) Called by h_psi: add_vuspsi : 39.22s CPU 39.49s WALL ( 265523 calls) General routines calbec : 46.65s CPU 47.24s WALL ( 531046 calls) fft : 0.46s CPU 0.51s WALL ( 361 calls) ffts : 0.04s CPU 0.03s WALL ( 46 calls) fftw : 286.51s CPU 289.50s WALL ( 746494 calls) interpolate : 0.10s CPU 0.10s WALL ( 46 calls) davcio : 1.16s CPU 5.45s WALL ( 19176 calls) Parallel routines fft_scatter : 13.82s CPU 14.11s WALL ( 746901 calls) EXX routines PWSCF : 9m 1.07s CPU 9m11.91s WALL This run was terminated on: 14:32:20 12Nov2013 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=