====================================================== Start Time : Mon Jun 22 12:14:12 PM EDT 2026 Submit Dir : /scratch/dheidenf/AlMgB14 DFT/DFT Instructions/Step 3 HSE Job ID/Name : 26183583 : almgb-hse06 Node List : str-c[64-65] Num Tasks : 32 total [2 nodes @ 16 CPUs/node] ====================================================== Loading qe/7.3-intel-mpi Loading requirement: intel/tbb/2021.11 intel/compiler-rt/2024.0.2 intel/oclfpga/2024.0.0 intel/2024 intel/mkl/2024.0 openmpi/5.0.2-intel hdf5/1.14.3-intel-mpi /var/spool/slurm/slurmd/job26183583/slurm_script: line 31: almgb14-HSE06.scf.tmpl: No such file or directory ===== Running: mpirun -np 32 pw.x -in almgb14-HSE06.scf.in Program PWSCF v.7.3 starts on 22Jun2026 at 12:14:12 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); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors MPI processes distributed on 2 nodes 1534352 MiB available memory on the printing compute node when the environment starts Reading input from almgb14-HSE06.scf.in Warning: card &CELL ignored Warning: card CELL_DYNAMICS = "BFGS" ignored Warning: card PRESS_CONV_THR = 5.00000E-01 ignored Warning: card / ignored 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) = 4 file Mg.pbe-spnl-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2P renormalized file Al.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 3S 3P renormalized IMPORTANT: XC functional enforced from input : Exchange-correlation= HSE ( 1 4 12 4 0 0 0) EXX-fraction = 0.25 Any further DFT definition will be discarded Please, verify this is what you really want EXX fraction changed: 0.25 EXX Screening parameter changed: 0.1060000 Message from routine setup : BEWARE: nonlinear core correction is not consistent with hybrid XC R & G space division: proc/nbgrp/npool/nimage = 32 wavefunctions fft division: Y-proc x Z-proc = 4 8 wavefunctions fft division: task group distribution #TG x Z-proc = 4 8 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used EXX: q-point mesh: 3 3 3 EXX: setup a grid of 216 q-points centered on each k-point (set verbosity='high' to see the list) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 203 101 27 18609 6574 912 Max 207 103 28 18637 6593 942 Sum 6547 3269 891 595811 210681 29681 Using Pencil Decomposition bravais-lattice index = 8 lattice parameter (alat) = 11.1678 a.u. unit-cell volume = 3355.2063 (a.u.)^3 number of atoms/cell = 64 number of atomic types = 3 number of electrons = 220.00 number of Kohn-Sham states= 272 kinetic-energy cutoff = 60.0000 Ry charge density cutoff = 480.0000 Ry cutoff for Fock operator = 240.0000 Ry scf convergence threshold = 1.0E-07 mixing beta = 0.2000 number of iterations used = 8 plain mixing Exchange-correlation= HSE ( 1 4 12 4 0 0 0) EXX-fraction = 0.25 celldm(1)= 11.167789 celldm(2)= 1.375133 celldm(3)= 1.751752 celldm(4)= 0.000000 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) = ( 0.000000 1.375133 0.000000 ) a(3) = ( 0.000000 0.000000 1.751752 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000000 0.000000 ) b(2) = ( 0.000000 0.727202 0.000000 ) b(3) = ( 0.000000 0.000000 0.570857 ) PseudoPot. # 1 for Mg read from file: /scratch/dheidenf/AlMgB14 DFT/PseudoPotentials/Mg.pbe-spnl-kjpaw_psl.1.0.0.UPF MD5 check sum: f2e4dcf64ebe291e1e21de2f27e8a735 Pseudo is Projector augmented-wave + core cor, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.1.2 Shape of augmentation charge: PSQ Using radial grid of 1129 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /scratch/dheidenf/AlMgB14 DFT/PseudoPotentials/Al.pbe-n-kjpaw_psl.1.0.0.UPF MD5 check sum: da22aad9e98c60ce88de1cf925d56fcc Pseudo is Projector augmented-wave + core cor, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.1.2 Shape of augmentation charge: PSQ Using radial grid of 1135 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 PseudoPot. # 3 for B read from file: /scratch/dheidenf/AlMgB14 DFT/PseudoPotentials/B.pbe-n-kjpaw_psl.1.0.0.UPF MD5 check sum: d9c678ba5d3b2fd7b74e61139c9288d8 Pseudo is Projector augmented-wave + core cor, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.1.2 Shape of augmentation charge: PSQ Using radial grid of 1059 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Al 3.00 26.98154 Al( 1.00) B 3.00 10.81100 B ( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) Cartesian axes site n. atom positions (alat units) 1 Mg tau( 1) = ( 0.5000000 0.2070875 1.3138170 ) 2 Mg tau( 2) = ( 0.5000000 1.1680459 0.4379354 ) 3 Mg tau( 3) = ( 0.0000000 0.8946515 0.4379375 ) 4 Mg tau( 4) = ( 0.0000000 0.4804819 1.3138150 ) 5 Al tau( 5) = ( 0.7499999 1.0313503 1.3138045 ) 6 Al tau( 6) = ( 0.2500000 1.0313503 1.3138045 ) 7 Al tau( 7) = ( 0.2500000 0.3437832 0.4379479 ) 8 Al tau( 8) = ( 0.7499999 0.3437832 0.4379479 ) 9 B tau( 9) = ( 0.1596010 0.2254467 1.6420057 ) 10 B tau( 10) = ( 0.5000000 1.2142363 1.1371028 ) 11 B tau( 11) = ( 0.7535092 1.3122068 1.0170272 ) 12 B tau( 12) = ( 0.7535092 0.0629267 0.7347252 ) 13 B tau( 13) = ( 0.2464910 1.3122116 1.6105856 ) 14 B tau( 14) = ( 0.2464910 0.0629219 0.1411668 ) 15 B tau( 15) = ( 0.2464907 0.0629267 0.7347252 ) 16 B tau( 16) = ( 0.2464907 1.3122068 1.0170272 ) 17 B tau( 17) = ( 0.7535089 0.0629219 0.1411668 ) 18 B tau( 18) = ( 0.7535089 1.3122116 1.6105856 ) 19 B tau( 19) = ( 0.3403989 0.9130132 0.1097466 ) 20 B tau( 20) = ( 0.3403989 0.4621202 1.6420058 ) 21 B tau( 21) = ( 0.6596010 0.4621202 1.6420058 ) 22 B tau( 22) = ( 0.1596010 1.1496867 0.1097467 ) 23 B tau( 23) = ( 0.6596010 0.9130132 0.1097466 ) 24 B tau( 24) = ( 0.5000000 1.2142351 1.4905211 ) 25 B tau( 25) = ( 0.8403990 1.1496867 0.1097467 ) 26 B tau( 26) = ( 0.8403990 0.2254467 1.6420057 ) 27 B tau( 27) = ( 0.5000000 0.4518277 0.1529991 ) 28 B tau( 28) = ( 0.5000000 0.9233057 1.5987533 ) 29 B tau( 29) = ( 0.0000000 1.1393947 1.5987534 ) 30 B tau( 30) = ( 0.0000000 0.2357388 0.1529990 ) 31 B tau( 31) = ( 0.0000000 0.0438642 1.1681680 ) 32 B tau( 32) = ( 0.0000000 1.3312692 0.5835844 ) 33 B tau( 33) = ( 0.0000000 0.0438711 1.4594797 ) 34 B tau( 34) = ( 0.0000000 1.3312624 0.2922727 ) 35 B tau( 35) = ( 0.5000000 0.1608983 0.2612313 ) 36 B tau( 36) = ( 0.5000000 0.1608971 0.6146497 ) 37 B tau( 37) = ( 0.6595998 0.9130106 0.7661042 ) 38 B tau( 38) = ( 0.0000000 0.5266679 0.2612314 ) 39 B tau( 39) = ( 0.2535089 0.6246447 0.1411669 ) 40 B tau( 40) = ( 0.2535089 0.7504888 1.6105855 ) 41 B tau( 41) = ( 0.7464906 0.6246399 0.7347253 ) 42 B tau( 42) = ( 0.7464906 0.7504935 1.0170271 ) 43 B tau( 43) = ( 0.7464911 0.7504888 1.6105855 ) 44 B tau( 44) = ( 0.7464911 0.6246447 0.1411669 ) 45 B tau( 45) = ( 0.2535093 0.7504935 1.0170271 ) 46 B tau( 46) = ( 0.2535093 0.6246399 0.7347253 ) 47 B tau( 47) = ( 0.8404001 0.2254438 0.9856482 ) 48 B tau( 48) = ( 0.8404001 1.1496896 0.7661043 ) 49 B tau( 49) = ( 0.1595999 1.1496896 0.7661043 ) 50 B tau( 50) = ( 0.6595998 0.4621229 0.9856482 ) 51 B tau( 51) = ( 0.1595999 0.2254438 0.9856482 ) 52 B tau( 52) = ( 0.0000000 0.5266690 0.6146500 ) 53 B tau( 53) = ( 0.3404001 0.4621229 0.9856482 ) 54 B tau( 54) = ( 0.3404001 0.9130106 0.7661042 ) 55 B tau( 55) = ( 0.0000000 1.1393853 1.0288378 ) 56 B tau( 56) = ( 0.0000000 0.2357482 0.7229146 ) 57 B tau( 57) = ( 0.5000000 0.4518185 0.7229145 ) 58 B tau( 58) = ( 0.5000000 0.9233150 1.0288380 ) 59 B tau( 59) = ( 0.5000000 0.7314376 0.2922726 ) 60 B tau( 60) = ( 0.5000000 0.6436959 1.4594798 ) 61 B tau( 61) = ( 0.5000000 0.7314309 0.5835844 ) 62 B tau( 62) = ( 0.5000000 0.6437026 1.1681680 ) 63 B tau( 63) = ( 0.0000000 0.8484645 1.1371025 ) 64 B tau( 64) = ( 0.0000000 0.8484656 1.4905211 ) number of k points= 27 Marzari-Vanderbilt smearing, width (Ry)= 0.0050 cart. coord. in units 2pi/alat k( 1) = ( 0.0833333 0.0606002 0.0475714), wk = 0.0740741 k( 2) = ( 0.0833333 0.0606002 0.1427142), wk = 0.0740741 k( 3) = ( 0.0833333 0.0606002 0.2378570), wk = 0.0740741 k( 4) = ( 0.0833333 0.1818005 0.0475714), wk = 0.0740741 k( 5) = ( 0.0833333 0.1818005 0.1427142), wk = 0.0740741 k( 6) = ( 0.0833333 0.1818005 0.2378570), wk = 0.0740741 k( 7) = ( 0.0833333 0.3030009 0.0475714), wk = 0.0740741 k( 8) = ( 0.0833333 0.3030009 0.1427142), wk = 0.0740741 k( 9) = ( 0.0833333 0.3030009 0.2378570), wk = 0.0740741 k( 10) = ( 0.2500000 0.0606002 0.0475714), wk = 0.0740741 k( 11) = ( 0.2500000 0.0606002 0.1427142), wk = 0.0740741 k( 12) = ( 0.2500000 0.0606002 0.2378570), wk = 0.0740741 k( 13) = ( 0.2500000 0.1818005 0.0475714), wk = 0.0740741 k( 14) = ( 0.2500000 0.1818005 0.1427142), wk = 0.0740741 k( 15) = ( 0.2500000 0.1818005 0.2378570), wk = 0.0740741 k( 16) = ( 0.2500000 0.3030009 0.0475714), wk = 0.0740741 k( 17) = ( 0.2500000 0.3030009 0.1427142), wk = 0.0740741 k( 18) = ( 0.2500000 0.3030009 0.2378570), wk = 0.0740741 k( 19) = ( 0.4166667 0.0606002 0.0475714), wk = 0.0740741 k( 20) = ( 0.4166667 0.0606002 0.1427142), wk = 0.0740741 k( 21) = ( 0.4166667 0.0606002 0.2378570), wk = 0.0740741 k( 22) = ( 0.4166667 0.1818005 0.0475714), wk = 0.0740741 k( 23) = ( 0.4166667 0.1818005 0.1427142), wk = 0.0740741 k( 24) = ( 0.4166667 0.1818005 0.2378570), wk = 0.0740741 k( 25) = ( 0.4166667 0.3030009 0.0475714), wk = 0.0740741 k( 26) = ( 0.4166667 0.3030009 0.1427142), wk = 0.0740741 k( 27) = ( 0.4166667 0.3030009 0.2378570), wk = 0.0740741 Dense grid: 595811 G-vectors FFT dimensions: ( 80, 108, 144) Smooth grid: 210681 G-vectors FFT dimensions: ( 60, 80, 100) Estimated max dynamical RAM per process > 11.81 GB Estimated total dynamical RAM > 378.02 GB EXX: ACE will be initialized later Check: negative core charge= -0.000003 Initial potential from superposition of free atoms starting charge 219.9713, renormalised to 220.0000 Starting wfcs are 260 randomized atomic wfcs + 12 random wfcs total cpu time spent up to now is 7.8 secs Self-consistent Calculation iteration # 1 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 7.0 total cpu time spent up to now is 59.7 secs total energy = -1366.18967616 Ry estimated scf accuracy < 5.33027983 Ry iteration # 2 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 2.42E-03, avg # of iterations = 1.2 total cpu time spent up to now is 80.0 secs total energy = -1365.56291630 Ry estimated scf accuracy < 2.00766586 Ry iteration # 3 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 9.13E-04, avg # of iterations = 2.7 total cpu time spent up to now is 104.5 secs total energy = -1365.68886425 Ry estimated scf accuracy < 0.27614775 Ry iteration # 4 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 1.26E-04, avg # of iterations = 10.3 total cpu time spent up to now is 148.2 secs total energy = -1365.71189693 Ry estimated scf accuracy < 0.03992841 Ry iteration # 5 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 1.81E-05, avg # of iterations = 5.8 total cpu time spent up to now is 180.4 secs total energy = -1365.71304113 Ry estimated scf accuracy < 0.01670810 Ry iteration # 6 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 7.59E-06, avg # of iterations = 2.1 total cpu time spent up to now is 203.4 secs total energy = -1365.71548590 Ry estimated scf accuracy < 0.00200607 Ry iteration # 7 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap c_bands: 1 eigenvalues not converged ethr = 9.12E-07, avg # of iterations = 7.2 total cpu time spent up to now is 235.9 secs total energy = -1365.71564590 Ry estimated scf accuracy < 0.00046761 Ry iteration # 8 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 2.13E-07, avg # of iterations = 2.1 total cpu time spent up to now is 258.6 secs total energy = -1365.71566379 Ry estimated scf accuracy < 0.00021579 Ry iteration # 9 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 9.81E-08, avg # of iterations = 1.2 total cpu time spent up to now is 279.0 secs total energy = -1365.71567752 Ry estimated scf accuracy < 0.00001694 Ry iteration # 10 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 7.70E-09, avg # of iterations = 1.8 total cpu time spent up to now is 301.2 secs total energy = -1365.71568016 Ry estimated scf accuracy < 0.00000272 Ry iteration # 11 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 1.24E-09, avg # of iterations = 2.0 total cpu time spent up to now is 324.2 secs total energy = -1365.71568102 Ry estimated scf accuracy < 0.00000052 Ry iteration # 12 ecut= 60.00 Ry beta= 0.20 Davidson diagonalization with overlap ethr = 2.35E-10, avg # of iterations = 2.1 total cpu time spent up to now is 347.4 secs End of self-consistent calculation k = 0.0833 0.0606 0.0476 ( 26341 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1685 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.9927 -5.5689 -5.2023 -4.8918 -4.0464 -2.8664 -2.7966 -2.5958 -2.3544 -2.0238 -1.9524 -1.6411 -1.3127 -1.1414 -1.0872 -1.0844 -0.8607 -0.6514 -0.3442 0.1126 0.1341 0.4179 0.4364 0.4716 0.7000 0.8347 1.0066 1.1571 1.5168 1.6348 1.7140 2.0686 2.3999 2.5032 2.5667 2.7488 3.0276 3.1595 3.1778 3.3579 3.3930 3.6317 3.7698 3.7848 4.0453 4.1369 4.2757 4.3757 4.4194 4.6954 4.7303 4.8171 4.9127 5.0532 5.0756 5.2043 5.3225 5.3434 5.4130 5.6559 5.7468 5.9862 6.2358 6.3464 6.3572 6.3837 6.4785 6.5379 6.6808 6.7323 6.7325 6.8534 7.0706 7.1551 7.2798 7.3595 7.3845 7.5686 7.5810 7.6566 7.8190 7.8608 7.8642 7.9147 8.1078 8.2443 8.2808 8.3575 8.6730 8.7739 8.9223 9.0819 10.4320 11.3217 11.4364 11.5918 12.1505 12.2423 12.4880 12.5119 12.6427 12.8659 12.9751 13.0280 13.4107 13.4370 13.4911 13.6383 13.8147 13.8992 14.1676 14.2387 14.3304 14.3700 14.4019 14.5079 14.5530 14.6258 14.7186 14.8051 14.9098 15.0288 15.0345 15.1373 15.4671 15.4690 15.5155 15.8234 15.8674 15.9400 16.1551 16.2490 16.2723 16.3573 16.4294 16.4451 16.4997 16.5737 16.6429 16.7098 16.8171 16.8400 16.8983 17.0379 17.1436 17.2054 17.2457 17.4396 17.5222 17.6723 17.8053 17.9361 17.9723 18.0031 18.0419 18.1011 18.1766 18.2925 18.3333 18.4690 18.7299 18.7957 18.9062 19.0321 19.0884 19.1172 19.3936 19.4603 19.5563 19.7189 19.7730 19.7846 19.8680 20.0542 20.1497 20.1779 20.2829 20.3418 20.3615 20.4124 20.4504 20.5486 20.6965 20.8055 20.8198 20.8455 20.9385 21.1269 21.2750 21.2781 21.5331 21.6026 21.6093 21.7284 21.8001 21.9462 21.9583 22.1152 22.1571 22.3842 22.4440 22.5831 22.6336 22.6848 22.7377 22.9199 22.9874 23.0159 23.0417 23.0559 23.1451 23.2189 23.3228 23.4294 23.5149 23.6009 23.6572 23.7648 23.8100 23.8914 23.9864 24.0376 24.0789 24.1340 24.1778 24.3547 24.4244 24.4501 24.5994 24.7041 24.7873 24.8240 24.9440 24.9974 25.1112 25.1252 25.2345 25.3051 25.4592 25.5158 25.5479 25.6024 25.6559 25.8701 25.9761 26.0916 26.1423 26.1730 26.2981 26.3295 26.4987 26.6447 26.6960 26.7370 26.7852 26.8570 k = 0.0833 0.0606 0.1427 ( 26333 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.9503 -5.6480 -5.1670 -4.9426 -3.8967 -3.0778 -2.7209 -2.4376 -2.3141 -2.1184 -2.0234 -1.5887 -1.4234 -1.1865 -1.1607 -1.0453 -0.8614 -0.6558 -0.3479 -0.2065 0.0442 0.5277 0.6402 0.6980 0.8727 1.0118 1.2470 1.3299 1.3757 1.5855 1.8703 1.9507 2.1935 2.2143 2.5808 2.8315 2.8907 2.9938 3.0506 3.0728 3.5070 3.5518 3.6902 3.7767 3.9031 4.1790 4.2345 4.4140 4.6195 4.7007 4.8491 4.9124 5.0596 5.0790 5.1693 5.2489 5.3621 5.4495 5.6084 5.6635 5.7732 5.9885 6.0568 6.1242 6.2277 6.3498 6.5156 6.5890 6.7592 6.7843 6.8800 6.9836 7.0232 7.1528 7.3586 7.4097 7.4145 7.4774 7.5658 7.6890 7.7496 7.8417 7.9252 7.9619 8.0352 8.1874 8.2595 8.3016 8.4318 8.7826 8.7872 8.9925 10.5794 11.1908 11.3232 11.7934 11.8128 12.3798 12.5028 12.5548 13.0058 13.0150 13.1401 13.2733 13.3274 13.4921 13.5821 13.6208 13.7074 13.9203 14.0085 14.1987 14.2913 14.3490 14.4286 14.4742 14.5528 14.6133 14.7036 14.7216 14.9680 15.0574 15.0810 15.2877 15.3156 15.3360 15.5058 15.5244 15.9604 15.9855 15.9898 16.2022 16.2177 16.2602 16.3716 16.4117 16.5104 16.6357 16.6625 16.8606 16.8890 16.9371 16.9471 17.0262 17.0741 17.2975 17.3382 17.3806 17.4795 17.6645 17.6985 17.7238 17.9163 18.0320 18.1365 18.1517 18.2615 18.2784 18.4210 18.4801 18.6441 18.7401 18.7989 18.8026 18.9367 19.0178 19.0896 19.2468 19.4728 19.5915 19.7228 19.8046 19.8909 20.0561 20.1492 20.1820 20.3592 20.3619 20.4568 20.4633 20.7292 20.8857 20.8957 20.9702 21.0696 21.1183 21.2726 21.3160 21.4389 21.5332 21.5446 21.6428 21.7480 21.7952 21.8943 21.9590 22.0704 22.0895 22.1381 22.2668 22.3240 22.4168 22.5151 22.6089 22.6641 22.8021 22.8618 22.8727 22.9407 23.0938 23.1821 23.2251 23.3661 23.4146 23.4946 23.5146 23.5795 23.6477 23.6931 23.8070 23.8283 23.8608 24.1045 24.1792 24.3336 24.3600 24.5250 24.5363 24.6284 24.7151 24.7907 24.8301 24.8519 25.0973 25.1421 25.1731 25.2439 25.2641 25.4063 25.4265 25.4306 25.6207 25.6862 25.7811 25.7924 25.9684 26.0751 26.1417 26.3300 26.4620 26.5150 26.6016 26.6155 26.6899 26.7655 26.7831 k = 0.0833 0.0606 0.2379 ( 26323 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.8697 -5.7616 -5.1030 -5.0218 -3.6490 -3.3600 -2.5709 -2.3634 -2.2375 -2.1453 -2.1332 -1.7983 -1.4282 -1.2804 -0.9935 -0.9335 -0.9113 -0.6626 -0.5049 -0.4462 0.1626 0.3576 0.8597 1.0035 1.0856 1.1916 1.3708 1.3727 1.4455 1.7139 1.8754 1.8873 2.0697 2.3763 2.3810 2.4448 2.6080 2.7405 2.8301 2.9320 3.2829 3.5539 3.8217 3.9742 4.0084 4.2121 4.3302 4.5801 4.6133 4.8138 4.9044 4.9911 5.0686 5.0961 5.2624 5.2654 5.3563 5.4901 5.6230 5.6691 5.7640 5.8157 5.8472 6.0710 6.1595 6.4923 6.5198 6.6896 6.7759 6.9349 6.9718 7.1079 7.1547 7.2664 7.2714 7.3675 7.4721 7.5116 7.5799 7.6708 7.6841 7.8457 7.9497 7.9805 8.0056 8.0325 8.1214 8.1880 8.3662 8.5671 8.8133 8.8818 10.8221 11.0179 11.1758 11.3805 12.3971 12.4919 12.5590 12.7199 13.0117 13.1024 13.2487 13.4091 13.4279 13.6084 13.6594 13.6805 13.7089 13.9266 14.0565 14.1141 14.1305 14.1985 14.3041 14.4188 14.4494 14.5495 14.6029 14.6452 14.7635 15.0138 15.0966 15.1779 15.3270 15.5304 15.5595 15.7320 15.8487 15.9645 16.0423 16.1207 16.1526 16.4013 16.4303 16.4420 16.4966 16.5755 16.6906 16.7419 16.9005 16.9776 17.0133 17.0761 17.0808 17.2029 17.2971 17.4005 17.5296 17.5299 17.7692 17.8013 17.8822 17.9877 18.0595 18.1629 18.1779 18.2532 18.3244 18.3551 18.3719 18.5517 18.6289 18.7843 18.8885 19.1361 19.2300 19.2368 19.4125 19.5174 19.6793 19.7892 20.0344 20.0600 20.1510 20.2723 20.3487 20.4247 20.4875 20.6771 20.8038 20.8545 20.9128 21.0598 21.1995 21.2574 21.4187 21.4252 21.6027 21.6162 21.7046 21.9163 21.9397 21.9581 22.0242 22.0738 22.0855 22.2239 22.2405 22.3093 22.3530 22.4728 22.5132 22.5494 22.5856 22.6472 22.7392 22.7867 22.8330 22.9921 23.0082 23.1299 23.2901 23.3393 23.3425 23.4708 23.5012 23.6439 23.7227 23.8004 23.8851 23.9069 24.0615 24.0974 24.1345 24.2179 24.3304 24.4844 24.6373 24.6926 24.7023 24.8371 24.8884 25.0176 25.0582 25.2081 25.2354 25.3524 25.3920 25.4495 25.4888 25.6333 25.6852 25.7173 25.7703 25.9105 26.0527 26.2751 26.3864 26.4973 26.5155 26.5452 26.6603 26.6871 26.6989 26.7923 k = 0.0833 0.1818 0.0476 ( 26337 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.9205 -5.5039 -5.3684 -5.0202 -3.8558 -2.9297 -2.6804 -2.6258 -2.2226 -1.9807 -1.8395 -1.6372 -1.4751 -1.4221 -1.2395 -1.0601 -0.8797 -0.7721 -0.3685 -0.0083 0.2580 0.5018 0.5504 0.6441 1.0360 1.0679 1.1366 1.3951 1.4773 1.6218 1.7993 2.0003 2.1060 2.2860 2.3133 2.6709 2.7265 2.8774 3.1158 3.3416 3.4742 3.5395 3.6148 3.6939 3.7599 4.0876 4.1705 4.4431 4.5316 4.6912 4.7786 4.8236 5.1561 5.1811 5.2671 5.3335 5.3528 5.5210 5.7712 5.8279 5.9963 6.0851 6.1158 6.2755 6.2786 6.3417 6.5491 6.6199 6.6444 6.6886 6.8916 6.8923 6.9651 7.0469 7.2044 7.2685 7.5556 7.6210 7.6228 7.6584 7.7087 7.7639 7.9347 8.0624 8.0810 8.1675 8.4183 8.4407 8.6049 8.6708 8.7897 8.9841 10.4616 11.3074 11.5564 11.6353 11.8197 12.2950 12.4241 12.5249 12.5855 12.6270 12.8153 12.9204 13.3302 13.4436 13.5376 13.6530 13.8729 13.9277 13.9541 14.1445 14.2753 14.3393 14.3683 14.4695 14.6147 14.6776 14.7161 14.8319 14.9062 15.0091 15.1258 15.2399 15.2548 15.3622 15.3974 15.7097 15.8351 15.8731 16.0421 16.1447 16.2638 16.2767 16.3749 16.4783 16.5708 16.6609 16.7778 16.8481 16.8573 16.8805 16.9640 17.0638 17.2424 17.3415 17.4066 17.6462 17.7990 17.8039 17.9024 17.9192 18.0275 18.0622 18.1995 18.2560 18.2931 18.3140 18.5598 18.5875 18.6276 18.6582 18.7652 18.8096 18.9553 18.9644 19.1261 19.2043 19.4098 19.5991 19.6413 19.8464 19.9041 20.1609 20.2471 20.2888 20.3639 20.4301 20.4961 20.5671 20.7250 20.7471 20.8648 20.8672 21.0017 21.0433 21.1052 21.2621 21.3189 21.3523 21.5029 21.5573 21.6674 21.7156 21.8755 21.9441 21.9955 22.1426 22.1551 22.2167 22.4228 22.4383 22.5061 22.6498 22.6580 22.7385 22.8464 22.8886 22.9890 22.9895 23.1498 23.1506 23.2657 23.3069 23.3465 23.6493 23.7272 23.7558 23.8469 23.8735 23.9464 24.0194 24.0923 24.2425 24.2558 24.3816 24.4390 24.5962 24.7372 24.7426 24.7906 24.8247 24.8890 24.9729 25.0540 25.1387 25.2062 25.2348 25.2984 25.5071 25.5197 25.5604 25.6135 25.8187 26.0643 26.1105 26.1789 26.2541 26.2898 26.3407 26.5412 26.6142 26.6743 26.7693 26.8063 26.8531 k = 0.0833 0.1818 0.1427 ( 26333 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.8791 -5.5850 -5.3234 -5.0763 -3.7097 -2.9711 -2.6117 -2.6092 -2.1844 -2.0454 -1.8780 -1.7868 -1.6547 -1.4463 -1.2713 -0.9448 -0.9396 -0.7145 -0.3406 0.0163 0.2645 0.4972 0.7118 0.9053 0.9797 1.2070 1.2488 1.4474 1.4790 1.6946 1.8206 1.8418 1.9815 2.1066 2.3778 2.5819 2.7639 2.8408 3.0136 3.0776 3.3137 3.3818 3.4808 3.6543 4.0013 4.0048 4.3269 4.3966 4.5022 4.7898 4.8079 4.8667 4.9507 5.1798 5.4654 5.4849 5.6473 5.7411 5.7842 5.9377 5.9651 6.0457 6.2145 6.2537 6.3346 6.3954 6.4759 6.4984 6.6079 6.6482 6.8835 6.9373 6.9844 7.0309 7.2274 7.3155 7.3967 7.6008 7.6628 7.7186 7.7240 7.8365 7.8959 7.9230 8.0491 8.1116 8.2571 8.3428 8.4696 8.7251 8.7333 8.9304 10.6216 11.2673 11.5677 11.7731 11.9177 11.9590 12.4900 12.6788 12.7216 12.7948 12.9782 13.0540 13.1160 13.4380 13.4734 13.6686 13.7315 13.8818 14.0603 14.1450 14.2862 14.3307 14.4821 14.5070 14.5695 14.7123 14.7148 14.7433 14.7661 14.9225 15.1166 15.1956 15.2433 15.3364 15.4789 15.7458 15.8100 15.8867 15.9487 16.1963 16.2749 16.4179 16.4377 16.5269 16.5938 16.6170 16.6588 16.7243 16.8061 16.9341 16.9684 17.1292 17.2231 17.3697 17.3835 17.4849 17.6638 17.7145 17.8686 17.8705 17.9845 18.0868 18.1430 18.2104 18.2523 18.3947 18.4305 18.5315 18.5677 18.6064 18.7466 18.7992 18.9283 19.0884 19.2363 19.4250 19.4978 19.6443 19.6651 19.6942 19.9024 19.9077 20.1533 20.1831 20.3618 20.5059 20.5600 20.6608 20.7952 20.8568 21.0155 21.0607 21.0997 21.2007 21.2456 21.4125 21.4199 21.4638 21.6428 21.6586 21.6941 21.7090 21.8739 21.9316 22.0314 22.0807 22.1488 22.1765 22.1831 22.3729 22.5256 22.6669 22.7182 22.8094 22.8096 22.9008 22.9823 23.0520 23.0960 23.2649 23.2763 23.3169 23.3888 23.4645 23.4918 23.4941 23.7351 23.8085 23.9090 24.0108 24.1181 24.1287 24.1395 24.4648 24.6105 24.6836 24.7244 24.8281 24.8433 24.8527 24.9196 24.9434 25.1114 25.1202 25.1595 25.2889 25.4301 25.4420 25.5110 25.5232 25.7076 25.7252 25.8439 25.8617 26.0848 26.2875 26.3424 26.4133 26.4649 26.4664 26.6879 26.6993 26.7137 26.7656 k = 0.0833 0.1818 0.2379 ( 26319 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.8007 -5.6957 -5.2517 -5.1630 -3.4674 -3.1937 -2.4764 -2.3985 -2.2291 -2.1134 -2.0096 -2.0054 -1.7086 -1.5908 -1.1452 -1.0379 -0.7382 -0.6585 -0.3510 -0.2133 0.4095 0.5769 0.8951 0.9428 1.1896 1.2246 1.3370 1.5163 1.5404 1.7368 1.7448 1.7739 2.1393 2.1809 2.2115 2.4621 2.5455 2.7493 2.8350 2.8898 2.9710 3.0358 3.5737 3.9514 4.0297 4.1952 4.3246 4.3823 4.6088 4.6679 4.9714 5.0261 5.1493 5.2251 5.2616 5.4104 5.7341 5.7598 5.8065 5.8904 5.9173 6.0684 6.1302 6.3649 6.3674 6.4914 6.4974 6.5273 6.6432 6.8578 6.8970 6.9290 7.0047 7.2274 7.2518 7.3053 7.3284 7.6204 7.6238 7.6876 7.7132 7.7637 7.8693 7.9359 7.9794 7.9852 8.0623 8.1205 8.4184 8.5509 8.8590 8.9056 10.9065 11.1732 11.3903 11.4815 12.1595 12.3992 12.5574 12.6339 12.7720 12.9379 12.9861 13.1025 13.2981 13.3697 13.5225 13.5640 13.6118 13.9798 14.0428 14.1196 14.2759 14.3274 14.3718 14.4372 14.5152 14.6213 14.7336 14.7767 14.8406 14.8503 15.0487 15.0595 15.1635 15.2094 15.5874 15.8259 15.8712 16.0374 16.0569 16.1357 16.1837 16.3116 16.3812 16.4543 16.4647 16.6911 16.8124 16.8375 16.9877 17.0205 17.0241 17.0459 17.2086 17.3602 17.3805 17.4602 17.5792 17.6862 17.7606 17.8141 17.8621 17.8830 18.0465 18.2017 18.2379 18.2866 18.4189 18.4219 18.5342 18.6827 18.6932 18.7885 18.9294 19.2042 19.2714 19.4080 19.6178 19.6772 19.7530 19.8625 19.9403 20.0917 20.1187 20.1354 20.2482 20.2934 20.4153 20.5587 20.8095 20.9136 20.9985 21.0988 21.1150 21.1914 21.4661 21.4843 21.6354 21.6554 21.7042 21.7308 21.7824 21.8586 21.9824 22.0066 22.0342 22.1716 22.2380 22.3936 22.4586 22.4910 22.6107 22.6352 22.6492 22.6878 22.6947 22.8168 22.8471 22.9742 23.0366 23.0551 23.1333 23.2927 23.4185 23.4784 23.5262 23.6702 23.6812 23.8546 23.9216 23.9433 24.0195 24.1066 24.1563 24.2143 24.3150 24.3774 24.5626 24.6478 24.8260 24.8418 24.9656 25.0438 25.0752 25.1803 25.2248 25.3979 25.4454 25.5335 25.5996 25.6426 25.6968 25.7689 25.7703 25.9401 25.9422 26.2531 26.3124 26.3730 26.4327 26.5213 26.6382 26.6485 26.7225 26.7642 k = 0.0833 0.3030 0.0476 ( 26313 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1685 -33.1684 -33.1560 -33.1559 -33.1542 -33.1541 -5.7813 -5.5892 -5.3725 -5.2020 -3.5784 -3.2624 -2.4753 -2.2897 -2.2108 -1.9781 -1.8776 -1.6571 -1.6418 -1.4835 -1.4188 -1.2336 -0.8755 -0.6779 -0.4091 -0.3712 0.5275 0.7975 0.8013 0.9189 0.9967 1.1874 1.2554 1.4267 1.5917 1.6669 1.8254 1.9391 2.2055 2.2599 2.2787 2.3274 2.3486 2.6432 2.6588 3.1900 3.2213 3.3096 3.7046 3.8201 3.8771 3.9701 4.1146 4.2843 4.3876 4.8743 4.9175 4.9682 5.2489 5.3472 5.4692 5.4753 5.5929 5.6688 5.7059 5.9972 6.0002 6.1750 6.1955 6.2236 6.2560 6.5169 6.5908 6.6116 6.7845 6.8423 6.8499 6.9141 6.9402 7.1206 7.1795 7.3064 7.3359 7.4133 7.4851 7.5998 7.6898 7.7326 7.8382 8.1128 8.1846 8.2136 8.4798 8.4935 8.6541 8.6544 8.6998 8.8492 10.6411 11.0301 11.4948 11.8004 11.9692 12.1409 12.2537 12.4634 12.5747 12.6027 12.8640 12.9388 12.9468 13.1111 13.4807 13.6691 13.7377 13.8984 14.0927 14.1250 14.2542 14.2962 14.3610 14.3940 14.7102 14.7124 14.8018 14.8108 14.8898 14.9862 15.1403 15.2233 15.2786 15.3631 15.4744 15.4892 15.7003 15.7252 16.0469 16.0790 16.3390 16.4098 16.5063 16.5203 16.6048 16.7079 16.8102 16.8613 16.9392 16.9444 17.0030 17.2207 17.2488 17.2727 17.3156 17.5962 17.6641 17.7667 17.8059 17.8100 18.0456 18.1364 18.1917 18.2075 18.3575 18.4219 18.4488 18.7553 18.7872 18.9077 18.9419 19.0675 19.0906 19.1944 19.3977 19.4834 19.5864 19.6107 19.7824 19.8921 19.9491 20.0180 20.0937 20.1765 20.2424 20.2520 20.3997 20.4943 20.5124 20.6399 20.7762 20.8394 21.0397 21.1877 21.3396 21.4145 21.4953 21.6089 21.6803 21.7262 21.7369 21.7524 21.8122 21.8885 21.9674 21.9726 22.1546 22.1612 22.2186 22.3094 22.3592 22.4511 22.4815 22.6751 22.6902 22.8149 22.8908 23.0303 23.1532 23.2658 23.4302 23.4388 23.5041 23.6106 23.6496 23.7845 23.8612 23.8851 23.9706 24.1119 24.1137 24.1851 24.3055 24.4081 24.4590 24.5508 24.6022 24.7060 24.7299 24.7957 24.8473 24.9207 25.0067 25.2207 25.3517 25.3847 25.5209 25.5671 25.6656 25.6955 25.7346 25.8659 25.9055 25.9747 26.0329 26.1431 26.3214 26.3412 26.4673 26.5519 26.5618 26.6831 26.8017 26.8454 k = 0.0833 0.3030 0.1427 ( 26339 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.7431 -5.5682 -5.4224 -5.2624 -3.4388 -3.1489 -2.4172 -2.4162 -2.1620 -2.0670 -1.8937 -1.8329 -1.6631 -1.6474 -1.5592 -1.2993 -0.6880 -0.6176 -0.3134 -0.1437 0.6364 0.7786 0.8261 1.0192 1.0924 1.1785 1.2777 1.4311 1.5127 1.5315 1.9534 2.0398 2.0682 2.0718 2.3781 2.4193 2.4364 2.4658 2.5734 3.0420 3.1394 3.2860 3.5855 3.6021 3.6578 3.9875 4.0398 4.4207 4.6223 4.6525 5.0354 5.1397 5.1769 5.3027 5.6642 5.7035 5.7222 5.8401 5.8677 5.9800 6.1779 6.1854 6.2958 6.3185 6.3889 6.3950 6.5012 6.6040 6.6343 6.7347 6.8308 6.8703 6.9006 7.1320 7.1651 7.2731 7.3894 7.4502 7.5088 7.6047 7.6941 7.7093 7.7791 7.8715 8.0545 8.1097 8.2872 8.3397 8.5795 8.6594 8.8432 8.9025 10.8210 11.2181 11.5203 11.8903 12.1041 12.1961 12.2164 12.3756 12.5470 12.6200 12.8774 12.9068 13.0477 13.0498 13.3409 13.5822 13.7840 13.8960 13.9777 14.1878 14.1891 14.3239 14.4368 14.5280 14.6336 14.6601 14.7311 14.8439 14.8954 14.9433 15.1792 15.2144 15.2434 15.2610 15.4870 15.5285 15.9070 15.9898 16.0491 16.2320 16.2858 16.3540 16.3889 16.4932 16.6138 16.6942 16.7561 16.7992 16.8703 16.8801 16.9384 16.9919 17.1405 17.1961 17.4296 17.5021 17.5147 17.7834 17.8411 17.9761 17.9918 18.1428 18.2642 18.2852 18.3686 18.4520 18.4930 18.5977 18.6604 18.8975 18.9846 19.0190 19.1243 19.2350 19.3109 19.5118 19.6557 19.6845 19.8037 19.8733 19.8803 19.9692 20.0644 20.1440 20.1636 20.4218 20.4903 20.5248 20.6595 20.7395 20.9430 21.0262 21.1161 21.1859 21.3208 21.4384 21.4973 21.5345 21.6241 21.6438 21.6636 21.7642 21.8267 21.9179 21.9541 22.0169 22.1156 22.1375 22.2637 22.3783 22.4089 22.6131 22.6551 22.6917 22.6986 22.8900 22.9125 22.9899 23.0749 23.1714 23.3206 23.4363 23.4585 23.5708 23.5816 23.6908 23.7376 23.7546 23.8482 24.0161 24.1149 24.1946 24.3396 24.3713 24.5454 24.6598 24.6724 24.7084 24.7484 24.9185 24.9337 25.0458 25.1154 25.1748 25.3154 25.3444 25.5453 25.5905 25.6771 25.7152 25.7407 25.7972 25.9522 25.9700 26.0142 26.1948 26.2534 26.2940 26.4180 26.4352 26.4848 26.6443 26.6858 26.7173 k = 0.0833 0.3030 0.2379 ( 26347 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1887 -33.1887 -33.1820 -33.1820 -33.1698 -33.1697 -33.1686 -33.1685 -33.1560 -33.1559 -33.1542 -33.1541 -5.6728 -5.5918 -5.4275 -5.3516 -3.2206 -3.0682 -2.4913 -2.3120 -2.2909 -2.1347 -2.0210 -1.9237 -1.7961 -1.7280 -1.4872 -1.3913 -0.5594 -0.5590 -0.1513 -0.0076 0.6480 0.7336 0.9322 0.9700 1.0165 1.2191 1.3428 1.5359 1.7067 1.7865 1.8027 1.9157 2.0901 2.1385 2.2696 2.2979 2.4336 2.4615 2.6983 2.7322 2.7450 2.9443 3.4533 3.6068 3.8126 4.0448 4.2043 4.4234 4.5968 4.8713 4.9750 5.0942 5.4169 5.4498 5.5480 5.6296 5.8095 5.8139 5.9990 6.0337 6.1023 6.2534 6.3323 6.3436 6.4462 6.4846 6.5644 6.6779 6.7584 6.7710 6.9102 6.9294 6.9774 7.0691 7.1320 7.2502 7.3211 7.3438 7.4288 7.4656 7.6686 7.6954 7.8553 7.8943 7.9149 7.9747 8.0313 8.1391 8.4960 8.5321 8.9794 8.9893 11.1468 11.4791 11.5314 11.7095 11.8340 12.0996 12.3526 12.4501 12.5535 12.6548 12.9988 13.0031 13.2235 13.2468 13.4414 13.5418 13.6166 13.6762 13.7999 13.9161 14.4097 14.4530 14.5144 14.5338 14.5857 14.6713 14.7408 14.7653 14.9101 14.9149 15.1677 15.2397 15.2430 15.2630 15.4076 15.5298 15.7832 15.7888 16.0009 16.1550 16.2434 16.2952 16.4222 16.5451 16.6078 16.6634 16.6842 16.7423 16.8559 17.0546 17.1217 17.2139 17.2668 17.3807 17.4252 17.5183 17.7280 17.7506 17.8110 17.8565 18.0000 18.0092 18.2121 18.2650 18.2800 18.3296 18.3967 18.5434 18.7042 18.7053 18.8552 18.8834 19.0196 19.2525 19.3354 19.3785 19.6511 19.6641 19.8060 19.8546 20.0486 20.0496 20.1502 20.2105 20.2258 20.3954 20.5400 20.6888 20.8354 20.8651 21.1285 21.1533 21.1785 21.2267 21.2333 21.2888 21.4130 21.4339 21.4415 21.6154 21.6517 21.7847 21.8579 21.8816 22.0667 22.1604 22.3108 22.3307 22.3560 22.3755 22.4170 22.5384 22.6766 22.7746 22.9302 22.9656 23.0157 23.0845 23.1258 23.1893 23.2732 23.2900 23.3512 23.4273 23.4669 23.4812 23.5709 23.7194 23.8210 23.8980 24.1810 24.2061 24.2838 24.2898 24.5112 24.5214 24.5898 24.5961 24.7609 24.9424 25.0591 25.0876 25.1475 25.2559 25.3082 25.3479 25.4657 25.5884 25.6096 25.6966 25.7843 25.9399 25.9496 26.0229 26.0779 26.1054 26.1783 26.2833 26.4057 26.4062 26.5603 26.5992 26.7077 26.7544 k = 0.2500 0.0606 0.0476 ( 26295 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.8706 -5.4637 -5.2604 -4.9476 -3.8799 -2.7957 -2.7534 -2.6904 -2.5838 -2.2907 -2.1425 -1.8442 -1.6762 -1.5852 -1.1867 -1.1317 -1.1222 -0.5839 -0.3475 -0.0344 0.5928 0.6197 0.7453 0.9704 1.0891 1.1516 1.3701 1.4511 1.5605 1.7877 1.9129 2.0941 2.1594 2.6096 2.7707 2.7882 2.9109 2.9841 3.1665 3.3590 3.4841 3.5976 3.7093 3.8407 4.0980 4.2541 4.3368 4.3412 4.6097 4.6454 4.7082 5.0369 5.1344 5.2294 5.2731 5.3245 5.3711 5.4589 5.6432 5.6580 5.7031 5.7435 5.9414 6.0418 6.1409 6.1748 6.2584 6.3843 6.4574 6.6783 6.7104 6.8203 6.9868 7.0037 7.0416 7.1115 7.2415 7.4605 7.5286 7.5616 7.7613 7.7664 7.8037 7.8671 8.0212 8.0295 8.2149 8.2446 8.4353 8.5763 8.5871 9.0148 10.0368 11.2804 11.6399 11.6681 12.0269 12.0607 12.2686 12.3911 12.6133 12.8559 13.0887 13.1210 13.1907 13.3008 13.3394 13.9603 14.0133 14.0695 14.2358 14.2905 14.3242 14.6032 14.6928 14.7084 14.8470 14.9067 14.9652 15.0440 15.0714 15.1218 15.1474 15.3016 15.4284 15.4881 15.5620 15.6911 15.8216 15.8920 15.9983 16.0150 16.0762 16.2280 16.3971 16.4412 16.6604 16.7517 16.7875 16.9462 16.9945 17.0366 17.1502 17.2001 17.2730 17.3087 17.4595 17.6130 17.6542 17.7321 17.7399 17.7540 17.8124 17.8650 18.1813 18.2136 18.2187 18.2581 18.3933 18.5280 18.6264 18.6963 18.8969 18.9943 19.0966 19.1524 19.3649 19.4594 19.6106 19.6173 19.6997 19.7247 19.8327 20.0146 20.0757 20.3518 20.4377 20.4834 20.6249 20.7445 20.7625 20.8912 21.0033 21.0884 21.0996 21.2590 21.3159 21.3293 21.4461 21.5584 21.6617 21.7319 21.8677 21.9304 21.9376 22.0932 22.1222 22.2213 22.2554 22.2699 22.3924 22.4461 22.5177 22.6040 22.6967 22.7564 22.8734 22.9310 23.0286 23.0306 23.1445 23.1807 23.2010 23.3226 23.4768 23.5493 23.5887 23.6694 23.7312 23.7574 23.7860 23.9409 24.0219 24.0879 24.1845 24.2270 24.3595 24.4936 24.5831 24.6389 24.6595 24.7560 24.8214 24.9184 25.0125 25.1016 25.1411 25.2147 25.2243 25.3243 25.3595 25.4487 25.5458 25.5916 25.5992 25.6754 25.7335 25.8082 25.9084 25.9152 26.0846 26.2922 26.3125 26.3697 26.6734 26.7070 k = 0.2500 0.0606 0.1427 ( 26323 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1698 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.8293 -5.5383 -5.2254 -4.9992 -3.7363 -2.9540 -2.7356 -2.5689 -2.5250 -2.2921 -2.1379 -1.8945 -1.7716 -1.6428 -1.4603 -1.2096 -0.9252 -0.4662 -0.2706 -0.0978 0.5772 0.7908 0.9460 0.9480 1.0461 1.1541 1.4322 1.5255 1.6877 1.6883 1.7956 1.9746 2.2999 2.3848 2.7285 2.8737 2.9232 3.0845 3.0945 3.2243 3.3880 3.4398 3.6977 3.8086 3.8839 4.2907 4.3423 4.5674 4.5836 4.6806 4.8477 4.8755 4.9675 5.2284 5.3558 5.3912 5.4639 5.6368 5.7665 5.7879 5.8026 5.9319 6.0066 6.0481 6.1479 6.1608 6.1833 6.2598 6.4797 6.5111 6.5855 6.6053 6.8657 6.9442 7.0819 7.2338 7.3708 7.4561 7.5379 7.6685 7.6983 7.7461 7.8096 7.8208 8.0849 8.1553 8.2040 8.2359 8.2844 8.5400 8.5560 8.9000 10.2069 11.1477 11.6576 11.7709 11.8919 11.9948 12.4235 12.5243 12.8304 12.9979 13.0761 13.1354 13.1702 13.3350 13.5369 13.8298 13.8831 14.0825 14.1486 14.2391 14.3067 14.4191 14.5109 14.6414 14.7721 14.8879 14.9023 15.0035 15.0376 15.1601 15.1966 15.2803 15.4351 15.4543 15.5759 15.8398 15.8610 15.9688 16.0022 16.0113 16.0692 16.1322 16.2874 16.5391 16.6696 16.7493 16.8187 16.8545 16.9702 16.9847 17.1105 17.1516 17.2485 17.2994 17.3585 17.4314 17.6769 17.6869 17.7581 17.7971 17.9379 17.9685 18.0420 18.0927 18.2900 18.4302 18.4433 18.5617 18.6980 18.8115 18.8741 18.9847 19.0873 19.2599 19.3829 19.5093 19.6388 19.6671 19.7592 19.8443 19.9694 20.0995 20.2078 20.4771 20.5031 20.5413 20.5514 20.6963 20.8465 20.9564 21.0193 21.1476 21.1630 21.2192 21.3680 21.4091 21.5101 21.5252 21.6435 21.7197 21.7246 21.7974 21.8597 22.0067 22.0159 22.0794 22.1474 22.2476 22.4089 22.4197 22.4610 22.5395 22.5790 22.7038 22.7391 22.8019 22.9209 23.1281 23.2050 23.2607 23.3065 23.3802 23.3967 23.5736 23.6320 23.6672 23.7160 23.7699 23.9167 24.0317 24.0470 24.0599 24.1270 24.2186 24.2538 24.3181 24.4421 24.6113 24.6408 24.8611 24.8820 24.9533 25.0486 25.0757 25.0993 25.2091 25.2091 25.2204 25.2511 25.3699 25.5038 25.6084 25.6924 25.6971 25.8357 25.8502 25.9652 26.1000 26.2245 26.2984 26.3008 26.4012 26.5583 26.5651 k = 0.2500 0.0606 0.2379 ( 26315 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1696 -33.1686 -33.1686 -33.1558 -33.1557 -33.1543 -33.1542 -5.7511 -5.6467 -5.1614 -5.0794 -3.4985 -3.2226 -2.6278 -2.5129 -2.4008 -2.2271 -2.2107 -1.9580 -1.9414 -1.7673 -1.5010 -1.3461 -0.6500 -0.3546 -0.3039 -0.2091 0.7136 0.7162 0.8048 1.0578 1.1810 1.3159 1.4535 1.5352 1.7424 1.8075 1.9338 2.0951 2.1002 2.3220 2.4761 2.7535 2.7657 2.9704 3.0047 3.1182 3.1963 3.4929 3.6948 4.0416 4.0743 4.1761 4.3392 4.5450 4.6507 4.8325 4.8686 4.9938 5.1022 5.1848 5.2379 5.3790 5.5484 5.6135 5.6888 5.7146 5.8501 5.8804 5.9263 5.9828 6.1009 6.2084 6.2800 6.3986 6.4601 6.4996 6.6213 6.6730 6.8901 6.9772 6.9990 7.3013 7.4027 7.4265 7.5517 7.5635 7.7411 7.8271 7.8547 7.8751 7.9095 8.0853 8.1025 8.2039 8.3642 8.4784 8.6333 8.7474 10.4956 10.8379 11.5641 11.5669 12.0461 12.3003 12.5829 12.6186 12.8490 12.9717 13.1123 13.3317 13.4263 13.5504 13.6507 13.7468 13.8224 13.9362 14.0335 14.1223 14.1966 14.3354 14.3586 14.5263 14.6288 14.6762 14.8063 14.8469 14.8998 14.9204 15.2335 15.3185 15.4921 15.5123 15.6835 15.8917 15.9429 15.9815 16.0123 16.1162 16.1740 16.3438 16.4387 16.4624 16.6010 16.7038 16.7476 16.7872 16.8965 16.9607 17.0034 17.0786 17.1396 17.2543 17.4342 17.5062 17.6779 17.7687 17.8262 17.8394 17.8728 18.0821 18.2122 18.2437 18.2646 18.4112 18.4305 18.4603 18.5648 18.6642 18.7522 19.0412 19.1089 19.2255 19.3428 19.6361 19.7936 19.7963 19.9273 20.0343 20.0725 20.1599 20.2223 20.3245 20.4780 20.5733 20.7117 20.7987 20.8864 21.0267 21.0426 21.1781 21.2709 21.3088 21.3573 21.4484 21.5625 21.5972 21.6386 21.6612 21.7581 21.8658 21.8973 21.9025 21.9201 22.0183 22.1174 22.1639 22.2203 22.2431 22.3312 22.3967 22.5237 22.5952 22.6803 22.8256 22.9663 23.0229 23.0663 23.0693 23.2199 23.3240 23.5257 23.6939 23.7300 23.8188 23.8254 23.9115 23.9622 23.9851 24.0615 24.1335 24.1634 24.1864 24.2561 24.2880 24.3822 24.4952 24.6385 24.7289 24.7428 24.8628 24.8966 24.9373 25.0734 25.0745 25.1945 25.2644 25.3068 25.3386 25.5715 25.6012 25.7177 25.7204 25.8309 25.8896 26.0863 26.1902 26.3238 26.3914 26.4654 26.4674 26.5065 26.6270 k = 0.2500 0.1818 0.0476 ( 26327 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.8072 -5.4102 -5.3654 -5.0321 -3.7683 -3.0061 -2.8561 -2.7095 -2.4003 -2.2574 -2.0557 -1.8595 -1.7466 -1.4927 -1.2504 -1.0152 -0.7507 -0.6141 -0.4495 -0.0512 0.2478 0.5632 0.8816 0.9230 1.0862 1.3424 1.3524 1.5237 1.5264 1.7548 1.9040 1.9894 2.1695 2.4603 2.4998 2.6866 2.8066 2.9389 3.0382 3.1386 3.5619 3.6260 3.7753 3.9739 4.1728 4.1973 4.5281 4.6050 4.8353 4.9283 4.9478 5.1113 5.1581 5.2212 5.2461 5.3946 5.3951 5.4115 5.4437 5.5582 5.6212 5.6999 5.7226 5.9312 5.9367 6.2051 6.2718 6.3510 6.4236 6.7706 6.8391 6.9232 6.9743 7.0919 7.2409 7.2634 7.4483 7.4951 7.5048 7.5694 7.6084 7.6692 7.8284 7.9274 8.0453 8.0585 8.0785 8.3194 8.4068 8.4387 8.5852 8.9942 10.1146 11.0156 11.5411 11.7714 11.9640 12.0571 12.1814 12.4648 12.5924 12.8867 12.9268 13.0315 13.2613 13.3613 13.6050 13.6584 13.7718 13.8504 13.8724 14.1481 14.2876 14.5153 14.6086 14.6464 14.7567 14.8453 14.9094 15.0128 15.1072 15.1364 15.2714 15.4012 15.5419 15.5529 15.5787 15.7494 15.7907 15.8915 16.0211 16.1815 16.2743 16.3184 16.4106 16.5016 16.6371 16.6565 16.7345 16.9362 16.9881 17.1123 17.1176 17.1696 17.3266 17.3691 17.4388 17.5211 17.6632 17.7264 17.8319 17.9164 18.0596 18.0958 18.2736 18.2935 18.4344 18.4397 18.6221 18.6327 18.7085 18.7467 18.8666 19.0579 19.1317 19.2016 19.2853 19.4619 19.5153 19.6432 19.6990 19.8152 19.9221 19.9450 20.0824 20.1924 20.4008 20.4635 20.5737 20.7015 20.7989 20.8847 20.9748 21.0050 21.0801 21.3415 21.3990 21.4081 21.4952 21.5234 21.6018 21.7509 21.7657 21.9339 21.9626 22.0035 22.0524 22.1539 22.2242 22.2448 22.2915 22.4208 22.4862 22.5965 22.6003 22.7380 22.8192 22.9312 22.9375 22.9955 23.0746 23.1714 23.2971 23.4066 23.4446 23.4645 23.6277 23.6446 23.6979 23.7776 23.8621 23.8698 23.9854 24.0338 24.1105 24.2098 24.2975 24.3625 24.5043 24.5539 24.5963 24.7796 24.8285 24.9497 24.9905 25.0524 25.1033 25.1090 25.2354 25.2798 25.3954 25.5815 25.6888 25.7687 25.7886 25.8495 25.9110 25.9170 25.9881 26.0345 26.1629 26.2880 26.2950 26.3987 26.6809 26.7209 k = 0.2500 0.1818 0.1427 ( 26338 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1698 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.7668 -5.4850 -5.3249 -5.0870 -3.6352 -2.9976 -2.7865 -2.7705 -2.3299 -2.2737 -2.0764 -2.0085 -1.8087 -1.5320 -1.4001 -0.9540 -0.8199 -0.4622 -0.2954 -0.2828 0.4090 0.6201 0.9897 1.1550 1.1601 1.2346 1.2581 1.4844 1.5672 1.7086 2.0365 2.1057 2.2487 2.3331 2.4096 2.5786 2.7039 2.9146 3.1028 3.1974 3.2932 3.4488 3.6690 3.7781 3.9480 4.4630 4.6356 4.7207 4.8263 4.8306 4.9505 5.1332 5.1690 5.2090 5.2739 5.3437 5.4892 5.5251 5.5978 5.6881 5.7285 5.7820 5.9045 5.9565 6.0700 6.1286 6.2720 6.4087 6.4311 6.5214 6.6774 6.8316 6.8961 7.1073 7.2446 7.3606 7.3697 7.5008 7.5559 7.5703 7.6443 7.6464 7.8140 7.9473 7.9508 8.0240 8.0947 8.1905 8.3200 8.5044 8.6120 8.9055 10.2870 11.1434 11.3753 11.8918 11.9397 12.0968 12.1192 12.5024 12.6543 12.8063 12.9613 13.1462 13.2350 13.4535 13.5171 13.7548 13.8098 13.8414 13.9940 14.1607 14.3501 14.4098 14.4895 14.6677 14.7002 14.9109 14.9414 14.9778 15.0219 15.0674 15.1895 15.2468 15.3972 15.5000 15.6049 15.7457 15.8972 15.9602 16.0160 16.1243 16.2147 16.2677 16.5221 16.5284 16.5317 16.6608 16.6851 16.7776 16.7911 16.9998 17.0683 17.0778 17.2488 17.4279 17.5048 17.5726 17.7596 17.8253 17.9973 18.0112 18.0162 18.1968 18.2332 18.3197 18.3845 18.4781 18.6046 18.6503 18.8078 18.9451 18.9684 19.0478 19.0766 19.2736 19.3438 19.4398 19.5291 19.6116 19.7969 19.8249 19.9013 19.9405 20.1842 20.2724 20.3250 20.5071 20.7376 20.7396 20.8752 20.9438 20.9806 21.1370 21.1699 21.1787 21.2560 21.3339 21.4728 21.5055 21.5753 21.5904 21.8107 21.8467 21.8899 22.0330 22.1092 22.2169 22.2191 22.2738 22.2902 22.3804 22.4330 22.4946 22.5879 22.7139 22.7687 22.8229 22.9935 23.0159 23.1308 23.2243 23.2902 23.3419 23.3847 23.5624 23.5955 23.5992 23.7189 23.7281 23.8220 23.8630 23.9879 24.0434 24.1067 24.1706 24.2378 24.3253 24.5954 24.6679 24.7134 24.7200 24.8142 24.9442 24.9786 25.0062 25.1327 25.2087 25.2679 25.3600 25.3680 25.5455 25.5471 25.5909 25.6472 25.7350 25.7551 25.8859 25.9722 26.1692 26.2186 26.2573 26.4289 26.4468 26.5692 26.6729 k = 0.2500 0.1818 0.2379 ( 26323 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.6907 -5.5896 -5.2576 -5.1717 -3.4184 -3.1787 -2.6772 -2.6754 -2.3291 -2.2626 -2.1427 -2.0400 -1.9271 -1.8662 -1.1525 -0.9454 -0.8338 -0.6082 -0.2589 -0.1739 0.6066 0.6886 0.8816 0.9132 1.0682 1.2374 1.6737 1.7076 1.8036 2.0045 2.0456 2.0728 2.1553 2.3134 2.3503 2.3873 2.5352 2.6556 2.7627 3.0874 3.1090 3.2692 3.8697 3.9068 4.2627 4.3355 4.4377 4.8484 4.8790 4.9418 4.9773 5.1483 5.2450 5.2583 5.3103 5.4013 5.4329 5.4488 5.5521 5.6198 5.7388 5.8970 5.9275 5.9327 6.1552 6.2204 6.3002 6.3750 6.4391 6.5380 6.7858 6.8027 6.9288 7.2114 7.2463 7.2551 7.3940 7.4531 7.5140 7.5817 7.6203 7.6962 7.7777 7.8173 7.8450 7.9307 8.1177 8.1380 8.2807 8.4312 8.7379 8.8220 10.5845 10.9462 11.4186 11.6296 11.9752 12.1935 12.3422 12.4884 12.6803 12.9380 12.9667 13.2108 13.2394 13.5000 13.6215 13.8575 13.9587 13.9883 14.1132 14.1230 14.2397 14.2403 14.4347 14.4525 14.6149 14.6279 14.7444 14.8076 15.0139 15.0632 15.2021 15.2631 15.3798 15.3893 15.6311 15.7881 15.9303 15.9465 16.1079 16.1891 16.2960 16.3153 16.3382 16.4378 16.5595 16.5765 16.6643 16.7667 16.8826 16.9794 17.0022 17.0579 17.3195 17.4654 17.5516 17.6538 17.7059 17.7771 17.8454 17.9173 18.0936 18.1194 18.3991 18.4001 18.5187 18.5658 18.6639 18.7265 18.8724 18.9041 18.9357 18.9906 19.1415 19.2125 19.2983 19.3132 19.4675 19.7377 19.8049 19.9433 20.1962 20.1993 20.2890 20.3411 20.3570 20.4676 20.6504 20.6856 20.7761 20.8422 21.0020 21.0774 21.1788 21.2438 21.3793 21.4118 21.4775 21.5152 21.5446 21.5984 21.5989 21.8525 21.9890 22.0050 22.0132 22.1097 22.1520 22.1845 22.3351 22.3957 22.4487 22.5409 22.5563 22.7226 22.7420 22.9690 22.9892 22.9966 23.0488 23.1613 23.3479 23.3548 23.4560 23.5300 23.6273 23.6657 23.7271 23.7466 23.7745 23.8790 23.9470 24.0234 24.0274 24.1101 24.2845 24.4456 24.5083 24.6169 24.6336 24.7014 24.7088 24.7765 24.9940 25.0680 25.1629 25.1822 25.2601 25.2946 25.3591 25.4524 25.4930 25.5156 25.6027 25.6481 25.6687 25.7825 26.0612 26.1278 26.3981 26.4719 26.5271 26.5378 26.5683 26.6066 k = 0.2500 0.3030 0.0476 ( 26323 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1830 -33.1829 -33.1697 -33.1696 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.6879 -5.5311 -5.2995 -5.1644 -3.5701 -3.3078 -2.7877 -2.6335 -2.5873 -2.3857 -1.8513 -1.6392 -1.5057 -1.3744 -1.3048 -1.0501 -0.9061 -0.8797 -0.2096 -0.0543 0.3684 0.6704 0.8374 0.8598 1.0342 1.2936 1.3060 1.5138 1.6009 1.6476 1.7778 1.8693 1.9567 2.1682 2.4512 2.6576 2.8359 2.9203 3.2711 3.4514 3.5397 3.8107 3.8684 3.9720 4.2036 4.2481 4.3750 4.4037 4.5401 4.6794 4.8836 4.8967 5.0976 5.1515 5.3214 5.3493 5.4223 5.6165 5.7116 5.7908 5.8848 5.9293 6.0511 6.1590 6.2339 6.3168 6.3316 6.4780 6.6089 6.6469 6.7243 6.7246 6.8622 6.9362 7.0153 7.1146 7.1215 7.2305 7.3508 7.6633 7.6922 7.7304 7.7466 7.8909 8.1594 8.2504 8.2566 8.2946 8.5008 8.5418 8.6304 8.8513 10.3308 10.6566 11.6822 11.8299 11.8708 12.1422 12.1648 12.3060 12.4789 12.6273 12.9370 13.1901 13.2932 13.3236 13.3624 13.4426 13.6732 13.7379 13.7855 14.1280 14.2124 14.2522 14.5164 14.5299 14.5758 14.7316 15.0771 15.1789 15.2213 15.2323 15.3386 15.4652 15.4658 15.5944 15.7691 15.7772 15.9183 15.9520 16.1120 16.1276 16.1821 16.4277 16.4771 16.5218 16.6638 16.7634 16.7809 16.8288 16.9069 16.9950 17.0628 17.0640 17.1994 17.2655 17.4875 17.7138 17.7328 17.8901 17.9500 18.0038 18.0920 18.2005 18.2603 18.4132 18.4177 18.6348 18.6557 18.6714 18.8206 18.8986 18.9409 19.1346 19.2075 19.3550 19.4607 19.5023 19.6672 19.7399 19.8693 20.0310 20.0530 20.0747 20.2525 20.2786 20.3780 20.4046 20.4193 20.5470 20.5595 20.8259 20.8872 21.0026 21.0157 21.1381 21.1472 21.4261 21.4386 21.4809 21.6370 21.6809 21.7608 21.7838 21.7965 21.8687 21.9103 21.9408 22.2235 22.2247 22.3478 22.3793 22.4787 22.5464 22.6387 22.7071 22.7799 22.8296 22.8462 23.0391 23.1470 23.2049 23.3304 23.4957 23.5039 23.5495 23.5973 23.6247 23.6629 23.7212 23.7525 23.9049 23.9411 23.9489 24.0845 24.1877 24.3395 24.4543 24.4921 24.5652 24.7016 24.7094 24.9136 24.9214 24.9358 25.0555 25.1224 25.1929 25.2209 25.2940 25.3270 25.5316 25.7552 25.8314 25.8814 25.9502 26.0781 26.2069 26.2289 26.2645 26.3088 26.3737 26.3828 26.4593 26.4768 26.5616 k = 0.2500 0.3030 0.1427 ( 26336 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1696 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.6502 -5.5029 -5.3553 -5.2230 -3.4519 -3.2115 -2.7491 -2.7305 -2.5076 -2.4824 -1.8561 -1.7690 -1.6634 -1.4423 -1.3401 -0.9673 -0.9413 -0.7401 -0.2146 -0.1216 0.4910 0.6666 0.8839 1.0988 1.1769 1.3136 1.3930 1.4332 1.4742 1.6594 1.8213 1.8333 2.1236 2.1760 2.4015 2.5929 2.8008 2.9770 3.1169 3.3048 3.3596 3.3652 3.6922 4.0419 4.1170 4.3105 4.3246 4.5437 4.5985 4.6655 4.7011 4.9616 5.2147 5.2921 5.5149 5.5261 5.6327 5.7501 5.8962 5.9016 6.0002 6.0189 6.0982 6.1339 6.1663 6.2225 6.2961 6.3676 6.4813 6.5525 6.7554 6.8026 6.8633 6.9144 7.0057 7.1163 7.1478 7.2212 7.4105 7.5291 7.5678 7.5932 7.7442 7.8191 8.1120 8.2255 8.2318 8.2397 8.4191 8.4657 8.7375 8.8539 10.5126 10.8400 11.5554 11.8667 12.0149 12.0561 12.0606 12.4131 12.5306 12.7699 12.8111 12.9579 13.0816 13.2322 13.4872 13.6297 13.7461 13.9951 14.0085 14.0479 14.2239 14.2663 14.4894 14.5159 14.6270 14.7476 14.9314 15.0685 15.1363 15.1585 15.3290 15.3631 15.5345 15.5419 15.7228 15.7757 15.8228 15.8415 16.0786 16.1570 16.2444 16.3049 16.4539 16.6005 16.6770 16.7335 16.7844 16.8045 16.8777 17.0003 17.0409 17.0505 17.1697 17.3028 17.3680 17.6777 17.6910 17.8507 17.9443 18.0419 18.1749 18.2524 18.2828 18.3922 18.4545 18.5180 18.6983 18.7838 18.9150 18.9483 19.0611 19.1581 19.3222 19.3999 19.4930 19.5542 19.7018 19.7357 19.8024 20.0072 20.0401 20.2632 20.2772 20.3320 20.4156 20.4169 20.5207 20.5351 20.6971 20.7613 20.8804 20.9986 21.0034 21.1598 21.1665 21.2656 21.2791 21.5491 21.5695 21.6418 21.7220 21.7277 21.8174 21.8766 21.9392 22.1461 22.1531 22.2634 22.3140 22.3460 22.3532 22.5655 22.6229 22.6824 22.7368 22.8714 22.9762 22.9895 23.1473 23.1513 23.3170 23.3912 23.4992 23.5848 23.6156 23.6341 23.6398 23.7184 23.7867 23.8540 23.8592 24.0383 24.0960 24.1936 24.4620 24.4746 24.6047 24.6359 24.6672 24.7696 24.8475 24.8615 24.8709 25.0009 25.1559 25.1913 25.2813 25.3231 25.3498 25.4244 25.6133 25.7884 25.8468 25.8537 25.9106 26.0333 26.0494 26.2076 26.2084 26.3765 26.4619 26.4689 26.5634 26.5685 k = 0.2500 0.3030 0.2379 ( 26351 PWs) bands (ev): -66.4261 -66.4260 -66.4250 -66.4249 -33.1879 -33.1878 -33.1829 -33.1829 -33.1697 -33.1697 -33.1686 -33.1685 -33.1558 -33.1557 -33.1543 -33.1542 -5.5809 -5.5038 -5.3821 -5.3101 -3.2703 -3.1371 -2.8504 -2.7615 -2.4358 -2.3200 -2.1776 -2.0275 -1.6350 -1.5156 -1.1914 -1.0470 -0.7925 -0.5688 -0.4310 -0.2340 0.6748 0.7981 0.8697 1.0825 1.2305 1.3260 1.5342 1.5512 1.6522 1.6760 1.8472 1.9046 2.1365 2.1672 2.3572 2.5584 2.5998 2.7627 2.9392 3.0344 3.1856 3.2424 3.8784 3.8892 4.0208 4.1653 4.3710 4.4995 4.6668 4.9816 5.1037 5.1536 5.2452 5.3105 5.4578 5.5082 5.6475 5.6933 5.7148 5.9075 5.9506 6.0214 6.1130 6.1274 6.2064 6.3010 6.3960 6.5650 6.6265 6.6891 6.7157 6.8142 6.8801 6.9637 6.9793 7.1022 7.1607 7.2282 7.2716 7.2954 7.6092 7.6831 7.7607 7.7751 7.8657 7.9940 8.1387 8.1444 8.3938 8.4272 8.8627 8.8936 10.8166 11.1223 11.1975 11.4841 12.1412 12.2583 12.2775 12.4644 12.5580 12.7593 12.7952 12.8988 13.0276 13.0957 13.6393 13.7335 13.8396 13.9257 14.2367 14.2595 14.3389 14.3833 14.4077 14.4234 14.5261 14.5991 14.7217 14.7226 15.0816 15.0861 15.1501 15.2910 15.5838 15.5947 15.6531 15.7135 15.9124 15.9252 16.1889 16.1939 16.2467 16.3485 16.4515 16.5718 16.6107 16.6225 16.6428 16.6845 16.9652 16.9832 17.1434 17.1849 17.2448 17.3399 17.4573 17.5493 17.6619 17.6684 17.8826 17.9215 18.0795 18.1268 18.2749 18.3807 18.6780 18.7055 18.8385 18.8637 18.9680 19.0449 19.1594 19.2156 19.3583 19.4048 19.4830 19.5254 19.6742 19.8385 19.9072 20.0220 20.0317 20.2053 20.2730 20.2848 20.4007 20.4537 20.5789 20.5928 20.6862 20.7554 20.8546 20.8852 21.0695 21.1701 21.2316 21.2680 21.3217 21.4204 21.5418 21.6253 21.6854 21.7974 21.8092 21.8587 21.9055 21.9476 22.2160 22.3101 22.3202 22.3912 22.4504 22.5194 22.6128 22.7532 22.8306 22.9886 23.0775 23.1101 23.2238 23.2604 23.2679 23.2882 23.3996 23.4945 23.5165 23.5880 23.5940 23.6954 23.8341 23.8363 23.8704 23.8852 23.9921 24.1938 24.4176 24.4941 24.5955 24.6267 24.6660 24.6925 24.8043 24.8721 25.0187 25.0587 25.1958 25.2415 25.2798 25.2962 25.3540 25.4366 25.4524 25.5838 25.6866 25.7430 25.8777 25.8974 25.9681 26.1747 26.1758 26.2270 26.5387 26.5642 26.6549 26.6581 k = 0.4167 0.0606 0.0476 ( 26322 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1555 -33.1554 -33.1544 -33.1543 -5.6563 -5.4210 -5.2818 -5.0852 -3.5558 -3.1114 -2.8664 -2.6729 -2.4833 -2.4111 -2.1677 -2.1661 -2.0856 -1.7029 -1.4472 -1.2802 -0.9668 -0.6763 -0.6183 -0.2861 0.8907 0.9181 1.0724 1.3026 1.3787 1.5233 1.5466 1.7955 1.9343 2.0416 2.1244 2.2934 2.4474 2.6242 2.6474 2.7121 2.8907 2.9477 3.2381 3.3024 3.4029 3.4747 3.8371 3.8719 4.2460 4.3639 4.4105 4.5215 4.5299 4.5860 4.6973 4.9561 4.9604 5.0877 5.1217 5.3357 5.3881 5.4524 5.5144 5.5647 5.6684 5.7410 5.8108 6.0822 6.1299 6.1895 6.2984 6.3446 6.3922 6.4855 6.6443 6.7628 6.7844 6.8249 7.0288 7.0876 7.1509 7.2150 7.4042 7.5136 7.6752 7.6866 7.7986 7.8866 7.9191 7.9997 8.0337 8.1227 8.1737 8.2882 8.4619 8.5567 10.2694 10.8662 11.3745 11.5997 12.1512 12.2679 12.2869 12.6405 12.6456 12.6814 12.9936 13.0753 13.2337 13.3107 13.3680 13.6182 13.6723 13.9783 14.0576 14.2257 14.4157 14.5951 14.6435 14.8572 14.9980 15.0180 15.1084 15.1289 15.2611 15.2979 15.3459 15.4382 15.5727 15.5888 15.6766 15.7068 15.8140 15.8237 15.9169 16.0517 16.0983 16.4643 16.4765 16.6047 16.6049 16.8452 16.9928 17.0172 17.1334 17.1896 17.2950 17.3806 17.4350 17.5530 17.6097 17.6190 17.7559 17.7898 17.8703 17.9792 18.0484 18.1346 18.2711 18.2844 18.3805 18.5061 18.5956 18.6638 18.7302 18.8420 18.8909 18.9227 19.1023 19.2967 19.3034 19.4800 19.7259 19.7729 19.8796 20.0280 20.1846 20.2597 20.2872 20.3804 20.4181 20.4923 20.5187 20.7876 20.8161 20.8403 21.0155 21.0562 21.1403 21.2161 21.3742 21.3952 21.4498 21.5619 21.6546 21.6696 21.7644 21.8288 22.0069 22.0196 22.0271 22.2167 22.2583 22.3675 22.3954 22.4142 22.4837 22.5566 22.5687 22.6533 22.9109 22.9779 22.9846 23.0620 23.0762 23.0828 23.1274 23.1941 23.2503 23.4649 23.4981 23.5745 23.6096 23.7213 23.7925 23.9368 24.0375 24.1382 24.1995 24.2148 24.2314 24.2802 24.3420 24.4826 24.6589 24.6676 24.7037 24.7371 24.7551 24.9340 24.9522 25.0402 25.0518 25.1615 25.2253 25.3091 25.3909 25.4756 25.5073 25.5908 25.6443 25.7086 25.9241 25.9546 25.9934 26.2257 26.2820 26.3438 26.3688 26.5236 k = 0.4167 0.0606 0.1427 ( 26327 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1554 -33.1544 -33.1543 -5.6172 -5.3851 -5.3474 -5.1420 -3.4269 -3.0045 -2.8282 -2.7824 -2.4573 -2.3749 -2.2142 -2.1856 -2.0567 -1.8352 -1.7118 -1.5193 -0.7573 -0.4968 -0.4348 -0.1750 0.7378 0.9654 1.0751 1.1947 1.4229 1.4479 1.6221 1.6420 1.9288 2.1150 2.1689 2.2095 2.4885 2.5911 2.7612 2.8578 3.1198 3.1315 3.2192 3.2731 3.3014 3.4186 3.6055 3.8160 3.9277 4.1914 4.2005 4.3638 4.6655 4.6655 4.7572 4.8240 5.1195 5.2814 5.2879 5.3413 5.3627 5.5561 5.5844 5.8148 5.8357 5.8527 5.9605 6.0349 6.0851 6.1371 6.1731 6.3100 6.3462 6.3599 6.4795 6.5472 6.6269 6.9158 6.9643 7.1174 7.2501 7.3022 7.4069 7.4888 7.6533 7.6602 7.7457 7.8747 7.9806 7.9929 8.0368 8.0875 8.1288 8.3967 8.4878 8.5111 10.4669 11.0475 11.4082 11.7861 11.9570 12.2196 12.4512 12.4890 12.5374 12.9196 12.9842 13.0562 13.2743 13.2814 13.4883 13.6938 13.7313 13.8321 14.0624 14.1294 14.2356 14.3696 14.7075 14.7951 14.8010 14.9496 15.0716 15.1043 15.1386 15.2046 15.3563 15.3587 15.4287 15.4682 15.6129 15.7084 15.8433 15.8475 15.9496 16.1096 16.1989 16.3049 16.3077 16.6320 16.6421 16.6713 16.9090 17.1063 17.1374 17.2873 17.2969 17.4492 17.4798 17.5790 17.6162 17.7549 17.7568 17.8618 17.8732 18.0084 18.1356 18.1779 18.2154 18.3224 18.5189 18.6541 18.6619 18.6758 18.9696 18.9738 19.2324 19.3123 19.3765 19.4510 19.5037 19.5771 19.7628 19.8828 19.9748 20.0092 20.0849 20.1420 20.2594 20.3015 20.4872 20.5030 20.6080 20.7309 20.7550 20.8985 20.9234 21.0506 21.0856 21.2157 21.2357 21.2556 21.3987 21.4245 21.5216 21.5510 21.5949 21.7047 21.7075 21.9129 21.9954 22.1602 22.2328 22.2330 22.2742 22.3974 22.4127 22.5812 22.5839 22.6410 22.6785 22.8566 22.8635 22.9043 22.9338 23.0382 23.0590 23.2425 23.2805 23.4131 23.5136 23.5511 23.6232 23.6323 23.7199 23.8747 24.0783 24.1753 24.1961 24.2147 24.2150 24.3948 24.4123 24.4807 24.6161 24.7128 24.7334 24.7781 24.8915 24.8969 24.9056 25.0085 25.0847 25.1097 25.3519 25.4411 25.4896 25.6352 25.7652 25.8512 25.9324 25.9612 25.9978 26.1129 26.1239 26.1443 26.3107 26.3417 26.3623 26.5125 k = 0.4167 0.0606 0.2379 ( 26327 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1555 -33.1554 -33.1544 -33.1543 -5.5436 -5.4468 -5.3168 -5.2292 -3.2175 -2.9904 -2.8529 -2.7929 -2.3611 -2.3401 -2.2790 -2.1781 -2.0709 -2.0088 -1.8916 -1.7421 -0.4864 -0.2836 -0.2418 -0.2317 0.6983 0.7127 0.8284 1.0723 1.5974 1.7176 1.7660 1.8366 1.9302 2.0008 2.2755 2.3345 2.4087 2.4287 2.5728 2.6747 3.0302 3.2610 3.2825 3.3462 3.4624 3.4813 3.5345 3.5781 3.9304 3.9845 4.0576 4.3430 4.5992 4.9258 5.0158 5.0294 5.0587 5.1492 5.3181 5.4490 5.5182 5.5410 5.5996 5.6609 5.6981 5.7086 5.8896 5.9585 6.0838 6.1666 6.1796 6.2592 6.3462 6.4446 6.5332 6.6027 6.7416 6.8642 7.0403 7.2135 7.2915 7.3348 7.4312 7.4739 7.5102 7.5807 7.5895 7.7942 7.9212 7.9287 8.0206 8.0284 8.3064 8.4233 8.5396 8.5494 10.7871 11.1526 11.3658 11.7420 11.9419 12.1136 12.2308 12.5040 12.8657 12.9689 13.1376 13.2357 13.3577 13.5332 13.5980 13.6535 13.7482 13.8364 13.9465 14.0887 14.0908 14.1086 14.3119 14.3274 14.7600 14.8556 14.8726 14.9378 15.1437 15.1558 15.2247 15.3082 15.4692 15.4952 15.5764 15.7372 15.8441 15.8504 16.0532 16.0563 16.1999 16.2664 16.4357 16.5752 16.5918 16.8277 16.9583 17.0754 17.1214 17.1273 17.3797 17.3833 17.4780 17.5391 17.6318 17.6449 17.8181 17.8419 18.1687 18.2001 18.3108 18.3188 18.3856 18.5765 18.5933 18.7828 18.8397 18.9272 19.0217 19.1448 19.2830 19.4062 19.4402 19.4499 19.7030 19.7728 19.8236 19.8366 19.9445 19.9516 20.0860 20.1142 20.1877 20.2652 20.5670 20.5692 20.5965 20.6747 20.6804 20.8289 20.8693 20.9502 21.0517 21.0582 21.1459 21.2342 21.3135 21.3664 21.4356 21.5144 21.5456 21.7282 21.8171 21.8838 21.9877 22.0772 22.0859 22.1115 22.1759 22.2412 22.3268 22.4209 22.4472 22.6101 22.6103 22.7431 22.7562 22.9757 22.9998 23.0453 23.0744 23.0813 23.1845 23.2759 23.4006 23.4179 23.5856 23.6317 23.7139 23.8891 23.8991 24.0973 24.1966 24.2264 24.3260 24.3580 24.4605 24.4744 24.5351 24.6365 24.7052 24.8947 25.0026 25.0080 25.0541 25.0903 25.1548 25.2775 25.4385 25.4768 25.5111 25.5830 25.8213 25.9396 25.9954 26.0658 26.0980 26.1978 26.2485 26.3123 26.3298 26.3979 26.5149 26.6135 k = 0.4167 0.1818 0.0476 ( 26336 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1554 -33.1544 -33.1543 -5.6185 -5.4426 -5.2503 -5.1042 -3.6146 -3.3303 -2.8643 -2.7475 -2.6209 -2.5227 -2.1229 -2.0197 -1.6324 -1.3862 -1.3252 -1.1649 -1.0814 -0.9829 -0.2513 0.0678 0.4716 0.7536 0.8645 0.8685 1.1271 1.4033 1.5411 1.6582 1.7011 1.9238 2.0056 2.2365 2.4277 2.5916 2.6447 3.2167 3.2590 3.3207 3.3237 3.4435 3.7007 3.7443 3.7757 3.7867 4.1746 4.2334 4.3946 4.4775 4.5374 4.6767 4.7543 4.7557 4.9364 5.0130 5.0821 5.2405 5.3477 5.3775 5.4600 5.5522 5.7576 5.8765 5.9402 6.1363 6.2029 6.2436 6.2822 6.3854 6.3890 6.5066 6.7333 6.8317 6.8361 6.9045 6.9885 7.0635 7.0739 7.1040 7.2036 7.4569 7.4719 7.6216 7.6490 7.8005 7.9441 8.1341 8.1459 8.2700 8.3357 8.3448 8.4898 8.6322 10.2765 10.6350 11.6238 11.7032 11.8646 12.0597 12.1578 12.2628 12.6392 12.9715 12.9864 13.1575 13.2291 13.2579 13.3550 13.4424 13.5333 13.8878 13.9835 13.9912 14.2654 14.4244 14.5838 14.6199 14.8072 15.0227 15.2106 15.2607 15.2885 15.3721 15.4872 15.5433 15.5681 15.6535 15.7448 15.7694 15.9451 15.9691 16.0827 16.1362 16.3862 16.5197 16.5288 16.5847 16.6624 16.6912 16.7664 17.0487 17.0887 17.3008 17.3335 17.3668 17.4388 17.4976 17.6546 17.7014 17.7747 17.8554 17.8715 17.9830 18.0730 18.2799 18.4236 18.4318 18.4626 18.5262 18.5871 18.7069 18.8748 18.9676 18.9826 19.1830 19.2718 19.3420 19.4714 19.6506 19.6690 19.7595 19.9424 20.0051 20.0778 20.1536 20.1991 20.2208 20.3306 20.4809 20.5651 20.7248 20.8358 20.8801 21.0035 21.0473 21.0890 21.1630 21.1732 21.3865 21.4486 21.5402 21.5645 21.6353 21.7228 21.8209 21.8870 21.8999 22.0372 22.1189 22.1640 22.1882 22.3061 22.3915 22.5290 22.6643 22.6758 22.6936 22.7352 22.9649 22.9912 23.0159 23.0378 23.1411 23.1604 23.2190 23.2610 23.3820 23.3940 23.5000 23.6106 23.6971 23.7131 23.7693 23.8725 23.9599 24.1115 24.1254 24.2138 24.3439 24.3784 24.4688 24.5352 24.5680 24.6588 24.7494 24.9292 24.9795 25.0066 25.1729 25.2515 25.2851 25.3012 25.3583 25.4892 25.5015 25.6206 25.6283 25.7332 25.7680 25.8942 26.0415 26.0514 26.0810 26.3165 26.3684 26.5824 26.7255 k = 0.4167 0.1818 0.1427 ( 26341 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1555 -33.1545 -33.1543 -5.5801 -5.4074 -5.3135 -5.1614 -3.5070 -3.2406 -2.9132 -2.8341 -2.5898 -2.5053 -2.0183 -1.9386 -1.7641 -1.6100 -1.5376 -1.2562 -0.9591 -0.8057 -0.1533 -0.1471 0.6565 0.6678 0.9392 1.1640 1.3615 1.4355 1.5054 1.5755 1.6915 1.8748 1.9317 2.0568 2.4654 2.6141 2.7760 3.0159 3.1459 3.2725 3.3001 3.4316 3.6507 3.7121 3.7582 3.9354 3.9978 4.0532 4.3604 4.5324 4.6031 4.6937 4.7198 4.8515 4.8550 4.9784 5.0780 5.1808 5.3626 5.6858 5.7910 5.8107 5.8861 5.9281 6.0003 6.0802 6.1044 6.1370 6.2184 6.2390 6.3743 6.4901 6.5697 6.6489 6.9051 6.9121 6.9451 7.0951 7.1023 7.2107 7.2264 7.3125 7.4407 7.6162 7.6938 7.8834 8.0408 8.0977 8.1302 8.2387 8.2485 8.3300 8.4811 8.5617 10.4725 10.8279 11.5136 11.8354 11.8806 11.9329 12.0417 12.3002 12.7554 12.8512 13.0477 13.1541 13.2075 13.3457 13.4209 13.4632 13.7089 13.7513 14.0630 14.0908 14.3371 14.3906 14.4705 14.6282 14.8855 14.9605 15.0413 15.0625 15.1926 15.2004 15.2322 15.4366 15.5449 15.5709 15.6479 15.6955 15.8270 16.0740 16.1122 16.1240 16.2667 16.4682 16.5089 16.5947 16.6010 16.7413 16.8832 17.0489 17.1322 17.1597 17.2875 17.3426 17.4145 17.5135 17.6375 17.8016 17.8533 17.9004 17.9264 18.1299 18.1881 18.2803 18.4349 18.5144 18.5596 18.7035 18.7598 18.8764 19.0405 19.0914 19.1075 19.3198 19.3575 19.5041 19.6647 19.6937 19.7015 19.8223 20.0014 20.0342 20.1093 20.1681 20.2045 20.2616 20.4786 20.5449 20.5510 20.6162 20.7046 20.7807 20.8224 20.8531 20.9813 21.1721 21.1998 21.2680 21.3838 21.4291 21.5292 21.5679 21.6854 21.8174 21.8314 21.8633 21.9469 22.1087 22.1175 22.1769 22.2734 22.3068 22.3940 22.4698 22.5868 22.7120 22.7663 22.8027 22.9040 22.9558 22.9638 23.0631 23.1816 23.2567 23.2745 23.3312 23.4776 23.4933 23.5819 23.7265 23.7693 23.7710 23.8979 23.9464 24.1097 24.1716 24.1829 24.3508 24.3922 24.4422 24.5168 24.6652 24.7063 24.7192 24.7648 24.9584 25.0888 25.1064 25.1781 25.2229 25.2934 25.4004 25.4504 25.5444 25.5958 25.6974 25.8609 25.8923 26.0229 26.0680 26.2024 26.2098 26.3506 26.4129 26.5876 26.6457 k = 0.4167 0.1818 0.2379 ( 26338 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1555 -33.1544 -33.1543 -5.5080 -5.4147 -5.3349 -5.2488 -3.3322 -3.1440 -3.0727 -2.9301 -2.4648 -2.2870 -2.1930 -1.9970 -1.8491 -1.7447 -1.5640 -1.4031 -0.7483 -0.5448 -0.4620 -0.2669 0.7868 0.9598 1.0415 1.1427 1.3185 1.4255 1.4444 1.6230 1.9008 1.9411 2.0290 2.1295 2.4754 2.4954 2.6267 2.7550 2.9646 2.9911 3.1100 3.3117 3.6270 3.7639 3.9162 4.0642 4.2225 4.2374 4.4158 4.4742 4.5644 4.6349 4.6492 4.8146 4.8463 5.0262 5.1924 5.3895 5.4586 5.4759 5.5854 5.7786 5.9132 5.9489 6.0348 6.0631 6.0716 6.1277 6.1669 6.2062 6.4890 6.6360 6.6839 6.7265 6.8193 6.9410 7.0131 7.0576 7.1095 7.1228 7.2129 7.2496 7.5214 7.5668 7.7094 7.9168 8.0157 8.0165 8.1159 8.1419 8.2249 8.2999 8.5099 8.5382 10.7731 11.1038 11.1334 11.4500 12.1150 12.2308 12.2346 12.3005 12.6769 12.7887 12.8153 12.9801 13.3596 13.5460 13.6297 13.6693 13.8281 13.8610 14.0391 14.0568 14.2507 14.2701 14.4373 14.4846 14.7069 14.7551 14.8366 14.9300 14.9676 15.0788 15.1762 15.3805 15.5345 15.5356 15.7676 15.8352 15.8648 15.8868 16.1543 16.2187 16.3494 16.4412 16.4463 16.6343 16.6495 16.7165 16.7499 16.7866 16.9777 17.0568 17.1546 17.1710 17.5286 17.6031 17.6588 17.7737 17.8588 17.8980 18.2322 18.3727 18.4798 18.5077 18.6535 18.6673 18.7269 18.7315 18.9400 18.9917 19.1554 19.2800 19.3518 19.3526 19.4384 19.4873 19.6423 19.7717 19.7789 19.8851 19.8859 20.0094 20.0519 20.0577 20.2904 20.3125 20.4872 20.5069 20.5566 20.5664 20.6248 20.6843 20.7388 20.7810 20.8607 21.0222 21.1233 21.1438 21.3805 21.4674 21.4691 21.5508 21.6102 21.6933 21.8052 21.9166 21.9781 22.0026 22.0850 22.1746 22.2357 22.2619 22.3456 22.4775 22.6248 22.6645 22.7092 22.7957 22.8199 22.9231 22.9648 23.1218 23.1395 23.2043 23.2400 23.2663 23.4655 23.5010 23.5419 23.6478 23.6709 23.7734 23.8710 23.9384 24.1552 24.1628 24.2157 24.2822 24.3077 24.5074 24.5603 24.6394 24.6863 24.7582 24.7885 24.8655 24.9853 25.0043 25.1374 25.1773 25.2008 25.2432 25.4068 25.4300 25.8041 25.8497 26.0130 26.0717 26.1958 26.2440 26.3908 26.4074 26.4510 26.5564 26.5920 26.6177 k = 0.4167 0.3030 0.0476 ( 26362 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1555 -33.1545 -33.1543 -5.5555 -5.4897 -5.1983 -5.1440 -3.6265 -3.5286 -2.8287 -2.8003 -2.7316 -2.6782 -1.9127 -1.9025 -1.3879 -1.3386 -1.1003 -1.0592 -1.0389 -0.7595 -0.0737 0.0517 0.3403 0.4364 0.5583 0.6183 0.9339 0.9915 1.4923 1.5386 1.6288 1.6595 2.3266 2.3912 2.5099 2.5622 2.9899 3.0063 3.3268 3.3757 3.5478 3.6023 3.6789 3.7360 3.7959 3.9198 3.9869 4.1199 4.4889 4.6088 4.6330 4.6641 4.8395 4.8600 5.0986 5.2000 5.2026 5.2395 5.2813 5.3669 5.3870 5.4624 5.5119 5.8533 6.0163 6.0764 6.1230 6.2291 6.3835 6.3983 6.4270 6.4403 6.5760 6.6965 6.8014 6.9191 7.0047 7.0535 7.0780 7.1303 7.3238 7.3268 7.5088 7.5964 7.7140 7.9334 7.9376 8.0768 8.1943 8.2552 8.4398 8.4633 8.5186 8.6146 10.3475 10.4652 11.4294 11.4730 11.8669 11.9104 12.1708 12.4311 12.6988 12.7812 12.8851 13.0565 13.2231 13.3322 13.4534 13.6202 13.6712 13.7286 13.7711 13.9279 14.0259 14.0398 14.4228 14.5109 14.9662 15.0042 15.2195 15.3061 15.3105 15.4553 15.4651 15.4708 15.4875 15.5287 15.7023 15.8367 16.0033 16.0950 16.1306 16.3472 16.3806 16.5525 16.6470 16.7418 16.8602 16.8685 16.9298 17.0223 17.0469 17.1847 17.2038 17.3749 17.4616 17.5180 17.5796 17.6128 17.7504 17.8435 18.0224 18.1701 18.1757 18.3477 18.4067 18.5655 18.6260 18.7546 18.7993 18.9338 19.0724 19.1405 19.2138 19.2416 19.3445 19.4030 19.4823 19.5467 19.6345 19.8343 19.9300 19.9393 20.0601 20.0858 20.1912 20.2618 20.4169 20.4716 20.5088 20.5722 20.6513 20.7431 20.9381 20.9641 21.0132 21.0519 21.1206 21.1575 21.4130 21.4187 21.4849 21.6313 21.6345 21.6747 21.8260 21.9962 22.0042 22.1411 22.2195 22.2617 22.3697 22.4826 22.5009 22.5864 22.5921 22.6640 22.7077 22.8011 22.9093 22.9358 23.0126 23.1073 23.1852 23.2213 23.3614 23.3649 23.4270 23.4962 23.4997 23.6191 23.6894 23.7122 23.7744 23.8842 23.8860 24.0070 24.2131 24.2368 24.4357 24.5387 24.5928 24.7393 24.7791 24.8102 24.8622 24.9849 25.0027 25.1841 25.2229 25.2322 25.4023 25.4511 25.5889 25.5962 25.6990 25.7634 25.7832 25.9182 25.9825 26.0976 26.1558 26.2364 26.2646 26.2864 26.3981 26.4377 k = 0.4167 0.3030 0.1427 ( 26349 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1555 -33.1545 -33.1543 -5.5183 -5.4538 -5.2589 -5.2024 -3.5332 -3.4411 -2.9843 -2.9239 -2.6353 -2.5590 -1.8356 -1.7972 -1.5455 -1.5158 -1.1191 -1.0220 -1.0054 -0.8170 -0.4503 -0.2198 0.5653 0.7063 0.7260 0.7990 1.1812 1.2661 1.4146 1.4417 1.7382 1.8548 2.1447 2.1805 2.5335 2.6595 2.6978 2.7879 3.0570 3.1355 3.4131 3.4986 3.7910 3.8689 3.9324 3.9550 4.0144 4.1067 4.4455 4.4723 4.6202 4.6607 4.9432 5.0878 5.1007 5.2064 5.2124 5.2884 5.3022 5.4399 5.5246 5.5700 5.7127 5.7207 6.0020 6.0053 6.1841 6.2344 6.2823 6.4098 6.4291 6.4879 6.6153 6.6649 6.8393 6.8607 6.9092 6.9442 7.0703 7.1690 7.3016 7.3878 7.5462 7.6556 7.7205 7.9153 8.0282 8.0787 8.1615 8.1798 8.3352 8.3562 8.4948 8.5376 10.5450 10.6644 11.5043 11.5896 11.5909 11.6374 12.2691 12.4101 12.5881 12.5980 13.0505 13.1564 13.3087 13.5275 13.5657 13.6505 13.7330 13.8186 13.8837 13.9818 14.0751 14.1205 14.4405 14.5439 14.7761 14.8540 15.0054 15.1195 15.1434 15.1689 15.3816 15.4184 15.5698 15.5926 15.7805 15.8666 15.9591 16.0047 16.0886 16.1997 16.3220 16.3596 16.5454 16.6478 16.6488 16.7317 16.9933 17.0024 17.1275 17.1652 17.2370 17.3629 17.4115 17.5981 17.7347 17.8060 18.0768 18.1054 18.1588 18.1604 18.2392 18.3437 18.4447 18.4830 18.7683 18.8287 18.9200 19.0330 19.0832 19.1703 19.2953 19.2965 19.3522 19.5047 19.5571 19.6542 19.7175 19.7763 19.8562 19.9712 20.0833 20.1173 20.1603 20.2070 20.3788 20.4054 20.5845 20.6708 20.6907 20.6993 20.7370 20.9192 20.9653 20.9989 21.1526 21.2178 21.3202 21.3976 21.4871 21.5378 21.7535 21.8182 21.9352 21.9361 22.0671 22.0802 22.1318 22.2329 22.2952 22.3861 22.4824 22.5292 22.6080 22.7079 22.7503 22.7807 22.8329 22.8700 22.9064 22.9924 23.0678 23.2041 23.2952 23.3101 23.3680 23.5027 23.5457 23.6009 23.6327 23.7165 23.9138 24.0075 24.0388 24.1585 24.1869 24.2882 24.4089 24.4566 24.4700 24.6375 24.6730 24.8277 24.8334 24.8728 25.0295 25.0481 25.0939 25.1314 25.3259 25.3548 25.4582 25.5559 25.6707 25.7066 25.8577 25.8621 26.0201 26.1289 26.2831 26.3329 26.3942 26.4039 26.4612 26.5104 k = 0.4167 0.3030 0.2379 ( 26346 PWs) bands (ev): -66.4261 -66.4260 -66.4251 -66.4250 -33.1865 -33.1865 -33.1845 -33.1844 -33.1697 -33.1696 -33.1687 -33.1686 -33.1556 -33.1555 -33.1544 -33.1543 -5.4494 -5.3946 -5.3424 -5.2904 -3.3788 -3.2994 -3.1771 -3.1079 -2.4122 -2.3341 -2.0986 -2.0210 -1.4525 -1.3198 -1.2105 -0.9527 -0.9453 -0.8255 -0.8012 -0.5444 0.7374 0.8377 0.9203 0.9488 1.2826 1.4094 1.6558 1.7379 1.7419 1.9623 2.1476 2.1638 2.2602 2.4341 2.5975 2.6213 2.8203 2.8660 3.0202 3.0280 4.0216 4.0956 4.0962 4.1700 4.2886 4.2952 4.4614 4.4917 4.5669 4.7611 4.7781 4.8341 5.0231 5.1715 5.2523 5.3463 5.3680 5.4216 5.4877 5.7211 5.7574 5.7836 5.9253 6.0947 6.1372 6.2006 6.3069 6.3156 6.4888 6.5996 6.6594 6.7140 6.7220 6.7436 6.9778 6.9861 7.1389 7.2779 7.3132 7.3646 7.6126 7.6444 7.8006 7.8487 8.0153 8.0597 8.1047 8.1168 8.1909 8.2064 8.4861 8.4986 10.8256 10.9351 11.1441 11.2395 11.8504 11.9190 12.1360 12.1933 12.6617 12.8380 12.9612 13.1154 13.2969 13.4066 13.6664 13.7280 13.8411 13.8941 14.1182 14.1270 14.2026 14.2558 14.4199 14.5555 14.6474 14.6503 14.7601 14.8494 15.0558 15.0942 15.3096 15.4100 15.4923 15.5466 15.7781 15.8913 15.9338 16.0137 16.0888 16.1277 16.1988 16.2429 16.4485 16.5286 16.6978 16.7257 16.9218 16.9268 17.0352 17.1571 17.2114 17.2467 17.5143 17.6498 17.7055 17.7822 17.9853 18.1157 18.2962 18.3224 18.4024 18.4160 18.6254 18.6707 18.9353 19.1047 19.1241 19.1467 19.2594 19.3164 19.4073 19.4203 19.4994 19.5459 19.6428 19.6572 19.8148 19.8319 19.8606 19.9123 19.9797 20.0834 20.2026 20.2439 20.2809 20.3263 20.3741 20.4504 20.5955 20.6062 20.7088 20.7563 20.7569 20.8785 21.0681 21.1281 21.3295 21.3600 21.4632 21.5769 21.8681 21.9041 21.9716 22.0199 22.0993 22.1359 22.1647 22.2293 22.2857 22.3647 22.4396 22.5273 22.5916 22.6677 22.7570 22.7988 22.9200 22.9454 23.0253 23.0612 23.1030 23.1226 23.2256 23.3042 23.3728 23.4172 23.5082 23.5524 23.8106 23.8131 23.8659 23.9188 24.1016 24.1244 24.2150 24.2471 24.2568 24.3648 24.4377 24.4805 24.5691 24.6680 24.6798 24.7279 24.9025 24.9099 24.9727 25.0478 25.2087 25.2305 25.3604 25.4412 25.8157 25.8535 25.9033 25.9075 26.1186 26.1252 26.3404 26.4401 26.5311 26.5800 26.6234 26.6717 the Fermi energy is 11.2439 ev ! total energy = -1365.71568238 Ry estimated scf accuracy < 0.00000004 Ry smearing contrib. (-TS) = 0.00031838 Ry internal energy E=F+TS = -1365.71600076 Ry convergence has been achieved in 12 iterations Using ACE for calculation of exact exchange EXX grid: 210681 G-vectors FFT dimensions: ( 60, 80, 100) ACE projected onto 272 (nbndproj) and applied to 272 (nbnd) bands forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FDAF243FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FDAF242A610 Unknown Unknown Unknown libc.so.6 00007FDAF242A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FD636C3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FD636C2A610 Unknown Unknown Unknown libc.so.6 00007FD636C2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FC14E43FC30 Unknown Unknown Unknown pw.x 000000000044B6CF exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FC14E42A610 Unknown Unknown Unknown libc.so.6 00007FC14E42A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F4F53C3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F4F53C2A610 Unknown Unknown Unknown libc.so.6 00007F4F53C2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F0C4463FC30 Unknown Unknown Unknown pw.x 000000000044B6CF exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F0C4462A610 Unknown Unknown Unknown libc.so.6 00007F0C4462A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FE3E1E3FC30 Unknown Unknown Unknown pw.x 000000000044B6D9 exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FE3E1E2A610 Unknown Unknown Unknown libc.so.6 00007FE3E1E2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F171903FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F171902A610 Unknown Unknown Unknown libc.so.6 00007F171902A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FA6D0A3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FA6D0A2A610 Unknown Unknown Unknown libc.so.6 00007FA6D0A2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F622763FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F622762A610 Unknown Unknown Unknown libc.so.6 00007F622762A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F119663FC30 Unknown Unknown Unknown pw.x 000000000044B6D9 exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F119662A610 Unknown Unknown Unknown libc.so.6 00007F119662A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FB4BA63FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FB4BA62A610 Unknown Unknown Unknown libc.so.6 00007FB4BA62A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F8D7463FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F8D7462A610 Unknown Unknown Unknown libc.so.6 00007F8D7462A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F0A0BE3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F0A0BE2A610 Unknown Unknown Unknown libc.so.6 00007F0A0BE2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F783E83FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F783E82A610 Unknown Unknown Unknown libc.so.6 00007F783E82A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FC31F43FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FC31F42A610 Unknown Unknown Unknown libc.so.6 00007FC31F42A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FC967E3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FC967E2A610 Unknown Unknown Unknown libc.so.6 00007FC967E2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FEF4E23FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FEF4E22A610 Unknown Unknown Unknown libc.so.6 00007FEF4E22A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F6EE663FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F6EE662A610 Unknown Unknown Unknown libc.so.6 00007F6EE662A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F8150E3FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F8150E2A610 Unknown Unknown Unknown libc.so.6 00007F8150E2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F6E9663FC30 Unknown Unknown Unknown pw.x 000000000044B6CF exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F6E9662A610 Unknown Unknown Unknown libc.so.6 00007F6E9662A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F398203FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F398202A610 Unknown Unknown Unknown libc.so.6 00007F398202A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F79B1C3FC30 Unknown Unknown Unknown pw.x 000000000044B6C5 exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F79B1C2A610 Unknown Unknown Unknown libc.so.6 00007F79B1C2A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007F6D9363FC30 Unknown Unknown Unknown pw.x 000000000044B6DE exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007F6D9362A610 Unknown Unknown Unknown libc.so.6 00007F6D9362A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00007FE96743FC30 Unknown Unknown Unknown pw.x 000000000044B6D9 exxinit 595 exx.f90 pw.x 000000000041A0FB electrons 228 electrons.f90 pw.x 0000000000566987 run_pwscf 186 run_pwscf.f90 pw.x 0000000000415724 pwscf 84 pwscf.f90 pw.x 00000000004155AD Unknown Unknown Unknown libc.so.6 00007FE96742A610 Unknown Unknown Unknown libc.so.6 00007FE96742A6C0 __libc_start_main Unknown Unknown pw.x 00000000004154C5 Unknown Unknown Unknown -------------------------------------------------------------------------- prterun noticed that process rank 28 with PID 37917 on node str-c65 exited on signal 9 (Killed). -------------------------------------------------------------------------- ====================================================== End Time : Mon Jun 22 12:20:01 PM EDT 2026 ====================================================== slurmstepd: error: Detected 2 oom_kill events in StepId=26183583.batch. Some of the step tasks have been OOM Killed.