Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 16:11:35 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 Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input 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 Atomic positions and unit cell read from directory: ./Cu.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 16 4 1867 1274 193 Max 22 17 5 1882 1293 213 Sum 1519 1183 351 135195 92335 14877 bravais-lattice index = 14 lattice parameter (alat) = 14.7066 a.u. unit-cell volume = 2193.8219 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.706625 celldm(2)= 1.000000 celldm(3)= 1.885534 celldm(4)= 0.203269 celldm(5)= 0.203269 celldm(6)= 0.927473 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.927473 0.373889 0.000000 ) a(3) = ( 0.383271 0.074346 1.844672 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.480608 -0.107795 ) b(2) = ( 0.000000 2.674587 -0.107795 ) b(3) = ( 0.000000 0.000000 0.542102 ) PseudoPot. # 1 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0227273 0.0044086 -0.0048998), wk = 0.0025773 k( 3) = ( 0.0454546 0.0088172 -0.0097995), wk = 0.0025773 k( 4) = ( 0.0681818 0.0132258 -0.0146993), wk = 0.0025773 k( 5) = ( 0.0909091 0.0176345 -0.0195991), wk = 0.0025773 k( 6) = ( 0.1136364 0.0220431 -0.0244988), wk = 0.0025773 k( 7) = ( 0.1363636 0.0264517 -0.0293986), wk = 0.0025773 k( 8) = ( 0.1590909 0.0308603 -0.0342984), wk = 0.0025773 k( 9) = ( 0.1818182 0.0352689 -0.0391981), wk = 0.0025773 k( 10) = ( 0.2045454 0.0396775 -0.0440979), wk = 0.0025773 k( 11) = ( 0.2272727 0.0440861 -0.0489977), wk = 0.0025773 k( 12) = ( 0.2500000 0.0484948 -0.0538974), wk = 0.0025773 k( 13) = ( 0.2727273 0.0529034 -0.0587972), wk = 0.0025773 k( 14) = ( 0.2954545 0.0573120 -0.0636970), wk = 0.0025773 k( 15) = ( 0.3181818 0.0617206 -0.0685967), wk = 0.0025773 k( 16) = ( 0.3409091 0.0661292 -0.0734965), wk = 0.0025773 k( 17) = ( 0.3636364 0.0705378 -0.0783963), wk = 0.0025773 k( 18) = ( 0.3863636 0.0749465 -0.0832960), wk = 0.0025773 k( 19) = ( 0.4090909 0.0793551 -0.0881958), wk = 0.0025773 k( 20) = ( 0.4318182 0.0837637 -0.0930956), wk = 0.0025773 k( 21) = ( 0.4545455 0.0881723 -0.0979953), wk = 0.0025773 k( 22) = ( 0.4772727 0.0925809 -0.1028951), wk = 0.0025773 k( 23) = ( 0.5000000 0.0969895 -0.1077949), wk = 0.0025773 k( 24) = ( 0.5000000 0.0969895 -0.1077949), wk = 0.0025773 k( 25) = ( 0.5048457 0.0979295 -0.0844726), wk = 0.0025773 k( 26) = ( 0.5096914 0.0988695 -0.0611503), wk = 0.0025773 k( 27) = ( 0.5145371 0.0998094 -0.0378280), wk = 0.0025773 k( 28) = ( 0.5193828 0.1007494 -0.0145057), wk = 0.0025773 k( 29) = ( 0.5242286 0.1016894 0.0088166), wk = 0.0025773 k( 30) = ( 0.5290743 0.1026293 0.0321389), wk = 0.0025773 k( 31) = ( 0.5339200 0.1035693 0.0554612), wk = 0.0025773 k( 32) = ( 0.5339200 0.1035693 0.0554612), wk = 0.0025773 k( 33) = ( 0.5271360 0.1022533 0.0770202), wk = 0.0025773 k( 34) = ( 0.5203520 0.1009374 0.0985791), wk = 0.0025773 k( 35) = ( 0.5135680 0.0996214 0.1201381), wk = 0.0025773 k( 36) = ( 0.5067840 0.0983055 0.1416971), wk = 0.0025773 k( 37) = ( 0.5000000 0.0969895 0.1632560), wk = 0.0025773 k( 38) = ( 0.5000000 0.0969895 0.1632560), wk = 0.0025773 k( 39) = ( 0.5046594 0.0729692 0.1632560), wk = 0.0025773 k( 40) = ( 0.5093189 0.0489489 0.1632560), wk = 0.0025773 k( 41) = ( 0.5139783 0.0249286 0.1632560), wk = 0.0025773 k( 42) = ( 0.5186378 0.0009083 0.1632560), wk = 0.0025773 k( 43) = ( 0.5232972 -0.0231120 0.1632560), wk = 0.0025773 k( 44) = ( 0.5279566 -0.0471323 0.1632560), wk = 0.0025773 k( 45) = ( 0.5326161 -0.0711526 0.1632560), wk = 0.0025773 k( 46) = ( 0.5372755 -0.0951730 0.1632560), wk = 0.0025773 k( 47) = ( 0.5419349 -0.1191933 0.1632560), wk = 0.0025773 k( 48) = ( 0.5465944 -0.1432136 0.1632560), wk = 0.0025773 k( 49) = ( 0.5512538 -0.1672339 0.1632560), wk = 0.0025773 k( 50) = ( 0.5559133 -0.1912542 0.1632560), wk = 0.0025773 k( 51) = ( 0.5605727 -0.2152745 0.1632560), wk = 0.0025773 k( 52) = ( 0.5652321 -0.2392948 0.1632560), wk = 0.0025773 k( 53) = ( 0.5698916 -0.2633151 0.1632560), wk = 0.0025773 k( 54) = ( 0.5745510 -0.2873355 0.1632560), wk = 0.0025773 k( 55) = ( 0.5792104 -0.3113557 0.1632560), wk = 0.0025773 k( 56) = ( 0.5838699 -0.3353761 0.1632560), wk = 0.0025773 k( 57) = ( 0.5885293 -0.3593964 0.1632560), wk = 0.0025773 k( 58) = ( 0.5931888 -0.3834167 0.1632560), wk = 0.0025773 k( 59) = ( 0.5978482 -0.4074370 0.1632560), wk = 0.0025773 k( 60) = ( 0.6025076 -0.4314573 0.1632560), wk = 0.0025773 k( 61) = ( 0.6071671 -0.4554776 0.1632560), wk = 0.0025773 k( 62) = ( 0.6118265 -0.4794979 0.1632560), wk = 0.0025773 k( 63) = ( 0.6164859 -0.5035182 0.1632560), wk = 0.0025773 k( 64) = ( 0.6211454 -0.5275386 0.1632560), wk = 0.0025773 k( 65) = ( 0.6258048 -0.5515589 0.1632560), wk = 0.0025773 k( 66) = ( 0.6304642 -0.5755792 0.1632560), wk = 0.0025773 k( 67) = ( 0.6351237 -0.5995995 0.1632560), wk = 0.0025773 k( 68) = ( 0.6397831 -0.6236198 0.1632560), wk = 0.0025773 k( 69) = ( 0.6444426 -0.6476401 0.1632560), wk = 0.0025773 k( 70) = ( 0.6491020 -0.6716604 0.1632560), wk = 0.0025773 k( 71) = ( 0.6537614 -0.6956807 0.1632560), wk = 0.0025773 k( 72) = ( 0.6584209 -0.7197011 0.1632560), wk = 0.0025773 k( 73) = ( 0.6630803 -0.7437214 0.1632560), wk = 0.0025773 k( 74) = ( 0.6677397 -0.7677417 0.1632560), wk = 0.0025773 k( 75) = ( 0.6723992 -0.7917620 0.1632560), wk = 0.0025773 k( 76) = ( 0.6770586 -0.8157823 0.1632560), wk = 0.0025773 k( 77) = ( 0.6817180 -0.8398026 0.1632560), wk = 0.0025773 k( 78) = ( 0.6863775 -0.8638229 0.1632560), wk = 0.0025773 k( 79) = ( 0.6910369 -0.8878432 0.1632560), wk = 0.0025773 k( 80) = ( 0.6956964 -0.9118636 0.1632560), wk = 0.0025773 k( 81) = ( 0.7003558 -0.9358838 0.1632560), wk = 0.0025773 k( 82) = ( 0.7050152 -0.9599042 0.1632560), wk = 0.0025773 k( 83) = ( 0.7096747 -0.9839245 0.1632560), wk = 0.0025773 k( 84) = ( 0.7143341 -1.0079448 0.1632560), wk = 0.0025773 k( 85) = ( 0.7189935 -1.0319651 0.1632560), wk = 0.0025773 k( 86) = ( 0.7236530 -1.0559854 0.1632560), wk = 0.0025773 k( 87) = ( 0.7283124 -1.0800057 0.1632560), wk = 0.0025773 k( 88) = ( 0.7329719 -1.1040260 0.1632560), wk = 0.0025773 k( 89) = ( 0.7376313 -1.1280463 0.1632560), wk = 0.0025773 k( 90) = ( 0.7422907 -1.1520666 0.1632560), wk = 0.0025773 k( 91) = ( 0.2577093 -1.3285417 0.2710509), wk = 0.0025773 k( 92) = ( 0.2530236 -1.3043864 0.2710509), wk = 0.0025773 k( 93) = ( 0.2483380 -1.2802311 0.2710509), wk = 0.0025773 k( 94) = ( 0.2436524 -1.2560757 0.2710509), wk = 0.0025773 k( 95) = ( 0.2389668 -1.2319205 0.2710509), wk = 0.0025773 k( 96) = ( 0.2342811 -1.2077652 0.2710509), wk = 0.0025773 k( 97) = ( 0.2295955 -1.1836098 0.2710509), wk = 0.0025773 k( 98) = ( 0.2249099 -1.1594545 0.2710509), wk = 0.0025773 k( 99) = ( 0.2202243 -1.1352993 0.2710509), wk = 0.0025773 k( 100) = ( 0.2155386 -1.1111439 0.2710509), wk = 0.0025773 k( 101) = ( 0.2108530 -1.0869886 0.2710509), wk = 0.0025773 k( 102) = ( 0.2061674 -1.0628333 0.2710509), wk = 0.0025773 k( 103) = ( 0.2014818 -1.0386781 0.2710509), wk = 0.0025773 k( 104) = ( 0.1967962 -1.0145227 0.2710509), wk = 0.0025773 k( 105) = ( 0.1921105 -0.9903674 0.2710509), wk = 0.0025773 k( 106) = ( 0.1874249 -0.9662121 0.2710509), wk = 0.0025773 k( 107) = ( 0.1827393 -0.9420568 0.2710509), wk = 0.0025773 k( 108) = ( 0.1780537 -0.9179015 0.2710509), wk = 0.0025773 k( 109) = ( 0.1733680 -0.8937462 0.2710509), wk = 0.0025773 k( 110) = ( 0.1686824 -0.8695909 0.2710509), wk = 0.0025773 k( 111) = ( 0.1639968 -0.8454356 0.2710509), wk = 0.0025773 k( 112) = ( 0.1593112 -0.8212803 0.2710509), wk = 0.0025773 k( 113) = ( 0.1546256 -0.7971250 0.2710509), wk = 0.0025773 k( 114) = ( 0.1499399 -0.7729697 0.2710509), wk = 0.0025773 k( 115) = ( 0.1452543 -0.7488144 0.2710509), wk = 0.0025773 k( 116) = ( 0.1405687 -0.7246591 0.2710509), wk = 0.0025773 k( 117) = ( 0.1358831 -0.7005038 0.2710509), wk = 0.0025773 k( 118) = ( 0.1311974 -0.6763485 0.2710509), wk = 0.0025773 k( 119) = ( 0.1265118 -0.6521932 0.2710509), wk = 0.0025773 k( 120) = ( 0.1218262 -0.6280379 0.2710509), wk = 0.0025773 k( 121) = ( 0.1171406 -0.6038826 0.2710509), wk = 0.0025773 k( 122) = ( 0.1124549 -0.5797273 0.2710509), wk = 0.0025773 k( 123) = ( 0.1077693 -0.5555720 0.2710509), wk = 0.0025773 k( 124) = ( 0.1030837 -0.5314166 0.2710509), wk = 0.0025773 k( 125) = ( 0.0983981 -0.5072614 0.2710509), wk = 0.0025773 k( 126) = ( 0.0937125 -0.4831061 0.2710509), wk = 0.0025773 k( 127) = ( 0.0890268 -0.4589508 0.2710509), wk = 0.0025773 k( 128) = ( 0.0843412 -0.4347954 0.2710509), wk = 0.0025773 k( 129) = ( 0.0796556 -0.4106402 0.2710509), wk = 0.0025773 k( 130) = ( 0.0749700 -0.3864849 0.2710509), wk = 0.0025773 k( 131) = ( 0.0702843 -0.3623295 0.2710509), wk = 0.0025773 k( 132) = ( 0.0655987 -0.3381742 0.2710509), wk = 0.0025773 k( 133) = ( 0.0609131 -0.3140190 0.2710509), wk = 0.0025773 k( 134) = ( 0.0562275 -0.2898637 0.2710509), wk = 0.0025773 k( 135) = ( 0.0515419 -0.2657083 0.2710509), wk = 0.0025773 k( 136) = ( 0.0468562 -0.2415530 0.2710509), wk = 0.0025773 k( 137) = ( 0.0421706 -0.2173977 0.2710509), wk = 0.0025773 k( 138) = ( 0.0374850 -0.1932424 0.2710509), wk = 0.0025773 k( 139) = ( 0.0327994 -0.1690871 0.2710509), wk = 0.0025773 k( 140) = ( 0.0281137 -0.1449318 0.2710509), wk = 0.0025773 k( 141) = ( 0.0234281 -0.1207765 0.2710509), wk = 0.0025773 k( 142) = ( 0.0187425 -0.0966212 0.2710509), wk = 0.0025773 k( 143) = ( 0.0140569 -0.0724659 0.2710509), wk = 0.0025773 k( 144) = ( 0.0093712 -0.0483106 0.2710509), wk = 0.0025773 k( 145) = ( 0.0046856 -0.0241553 0.2710509), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.2710509), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.2710509), wk = 0.0025773 k( 148) = ( 0.0233040 0.0045205 0.2710509), wk = 0.0025773 k( 149) = ( 0.0466080 0.0090410 0.2710509), wk = 0.0025773 k( 150) = ( 0.0699120 0.0135615 0.2710509), wk = 0.0025773 k( 151) = ( 0.0932160 0.0180820 0.2710509), wk = 0.0025773 k( 152) = ( 0.1165200 0.0226024 0.2710509), wk = 0.0025773 k( 153) = ( 0.1398240 0.0271229 0.2710509), wk = 0.0025773 k( 154) = ( 0.1631280 0.0316434 0.2710509), wk = 0.0025773 k( 155) = ( 0.1864320 0.0361639 0.2710509), wk = 0.0025773 k( 156) = ( 0.2097360 0.0406844 0.2710509), wk = 0.0025773 k( 157) = ( 0.2330400 0.0452049 0.2710509), wk = 0.0025773 k( 158) = ( 0.2563440 0.0497254 0.2710509), wk = 0.0025773 k( 159) = ( 0.2796480 0.0542459 0.2710509), wk = 0.0025773 k( 160) = ( 0.3029520 0.0587663 0.2710509), wk = 0.0025773 k( 161) = ( 0.3262560 0.0632868 0.2710509), wk = 0.0025773 k( 162) = ( 0.3495600 0.0678073 0.2710509), wk = 0.0025773 k( 163) = ( 0.3728640 0.0723278 0.2710509), wk = 0.0025773 k( 164) = ( 0.3961680 0.0768483 0.2710509), wk = 0.0025773 k( 165) = ( 0.4194720 0.0813688 0.2710509), wk = 0.0025773 k( 166) = ( 0.4427760 0.0858893 0.2710509), wk = 0.0025773 k( 167) = ( 0.4660800 0.0904098 0.2710509), wk = 0.0025773 k( 168) = ( 0.5000000 0.0969895 -0.1077949), wk = 0.0025773 k( 169) = ( 0.5047092 0.0727124 -0.1077949), wk = 0.0025773 k( 170) = ( 0.5094185 0.0484353 -0.1077949), wk = 0.0025773 k( 171) = ( 0.5141277 0.0241583 -0.1077949), wk = 0.0025773 k( 172) = ( 0.5188370 -0.0001188 -0.1077949), wk = 0.0025773 k( 173) = ( 0.5235462 -0.0243959 -0.1077949), wk = 0.0025773 k( 174) = ( 0.5282555 -0.0486731 -0.1077949), wk = 0.0025773 k( 175) = ( 0.5329647 -0.0729502 -0.1077949), wk = 0.0025773 k( 176) = ( 0.5376740 -0.0972273 -0.1077949), wk = 0.0025773 k( 177) = ( 0.5423832 -0.1215043 -0.1077949), wk = 0.0025773 k( 178) = ( 0.5470925 -0.1457814 -0.1077949), wk = 0.0025773 k( 179) = ( 0.5518017 -0.1700585 -0.1077949), wk = 0.0025773 k( 180) = ( 0.5565110 -0.1943356 -0.1077949), wk = 0.0025773 k( 181) = ( 0.5612202 -0.2186127 -0.1077949), wk = 0.0025773 k( 182) = ( 0.5659295 -0.2428898 -0.1077949), wk = 0.0025773 k( 183) = ( 0.5706387 -0.2671669 -0.1077949), wk = 0.0025773 k( 184) = ( 0.5753480 -0.2914440 -0.1077949), wk = 0.0025773 k( 185) = ( 0.5800572 -0.3157211 -0.1077949), wk = 0.0025773 k( 186) = ( 0.5847665 -0.3399982 -0.1077949), wk = 0.0025773 k( 187) = ( 0.5894757 -0.3642753 -0.1077949), wk = 0.0025773 k( 188) = ( 0.5941850 -0.3885524 -0.1077949), wk = 0.0025773 k( 189) = ( 0.5988942 -0.4128295 -0.1077949), wk = 0.0025773 k( 190) = ( 0.6036035 -0.4371066 -0.1077949), wk = 0.0025773 k( 191) = ( 0.6083127 -0.4613837 -0.1077949), wk = 0.0025773 k( 192) = ( 0.6130220 -0.4856608 -0.1077949), wk = 0.0025773 k( 193) = ( 0.6177312 -0.5099379 -0.1077949), wk = 0.0025773 k( 194) = ( 0.6224405 -0.5342150 -0.1077949), wk = 0.0025773 k( 195) = ( 0.6271497 -0.5584921 -0.1077949), wk = 0.0025773 k( 196) = ( 0.6318590 -0.5827692 -0.1077949), wk = 0.0025773 k( 197) = ( 0.6365682 -0.6070463 -0.1077949), wk = 0.0025773 k( 198) = ( 0.6412775 -0.6313234 -0.1077949), wk = 0.0025773 k( 199) = ( 0.6459867 -0.6556005 -0.1077949), wk = 0.0025773 k( 200) = ( 0.6506959 -0.6798775 -0.1077949), wk = 0.0025773 k( 201) = ( 0.6554052 -0.7041546 -0.1077949), wk = 0.0025773 k( 202) = ( 0.6601144 -0.7284317 -0.1077949), wk = 0.0025773 k( 203) = ( 0.6648237 -0.7527088 -0.1077949), wk = 0.0025773 k( 204) = ( 0.6695329 -0.7769860 -0.1077949), wk = 0.0025773 k( 205) = ( 0.6742422 -0.8012631 -0.1077949), wk = 0.0025773 k( 206) = ( 0.6789514 -0.8255401 -0.1077949), wk = 0.0025773 k( 207) = ( 0.6836607 -0.8498172 -0.1077949), wk = 0.0025773 k( 208) = ( 0.6883699 -0.8740943 -0.1077949), wk = 0.0025773 k( 209) = ( 0.6930792 -0.8983714 -0.1077949), wk = 0.0025773 k( 210) = ( 0.6977884 -0.9226485 -0.1077949), wk = 0.0025773 k( 211) = ( 0.7024977 -0.9469256 -0.1077949), wk = 0.0025773 k( 212) = ( 0.7072069 -0.9712027 -0.1077949), wk = 0.0025773 k( 213) = ( 0.7119162 -0.9954798 -0.1077949), wk = 0.0025773 k( 214) = ( 0.7166254 -1.0197569 -0.1077949), wk = 0.0025773 k( 215) = ( 0.7213347 -1.0440340 -0.1077949), wk = 0.0025773 k( 216) = ( 0.7260439 -1.0683111 -0.1077949), wk = 0.0025773 k( 217) = ( 0.7307532 -1.0925882 -0.1077949), wk = 0.0025773 k( 218) = ( 0.7354624 -1.1168653 -0.1077949), wk = 0.0025773 k( 219) = ( 0.7401717 -1.1411424 -0.1077949), wk = 0.0025773 k( 220) = ( 0.2598283 -1.3394659 0.0000000), wk = 0.0025773 k( 221) = ( 0.2551886 -1.3155469 0.0000000), wk = 0.0025773 k( 222) = ( 0.2505488 -1.2916279 0.0000000), wk = 0.0025773 k( 223) = ( 0.2459090 -1.2677088 0.0000000), wk = 0.0025773 k( 224) = ( 0.2412692 -1.2437898 0.0000000), wk = 0.0025773 k( 225) = ( 0.2366294 -1.2198708 0.0000000), wk = 0.0025773 k( 226) = ( 0.2319896 -1.1959517 0.0000000), wk = 0.0025773 k( 227) = ( 0.2273498 -1.1720327 0.0000000), wk = 0.0025773 k( 228) = ( 0.2227100 -1.1481137 0.0000000), wk = 0.0025773 k( 229) = ( 0.2180702 -1.1241946 0.0000000), wk = 0.0025773 k( 230) = ( 0.2134304 -1.1002756 0.0000000), wk = 0.0025773 k( 231) = ( 0.2087906 -1.0763566 0.0000000), wk = 0.0025773 k( 232) = ( 0.2041508 -1.0524375 0.0000000), wk = 0.0025773 k( 233) = ( 0.1995110 -1.0285185 0.0000000), wk = 0.0025773 k( 234) = ( 0.1948712 -1.0045994 0.0000000), wk = 0.0025773 k( 235) = ( 0.1902315 -0.9806804 0.0000000), wk = 0.0025773 k( 236) = ( 0.1855917 -0.9567614 0.0000000), wk = 0.0025773 k( 237) = ( 0.1809519 -0.9328424 0.0000000), wk = 0.0025773 k( 238) = ( 0.1763121 -0.9089233 0.0000000), wk = 0.0025773 k( 239) = ( 0.1716723 -0.8850043 0.0000000), wk = 0.0025773 k( 240) = ( 0.1670325 -0.8610852 0.0000000), wk = 0.0025773 k( 241) = ( 0.1623927 -0.8371662 0.0000000), wk = 0.0025773 k( 242) = ( 0.1577529 -0.8132472 0.0000000), wk = 0.0025773 k( 243) = ( 0.1531131 -0.7893281 0.0000000), wk = 0.0025773 k( 244) = ( 0.1484733 -0.7654091 0.0000000), wk = 0.0025773 k( 245) = ( 0.1438335 -0.7414900 0.0000000), wk = 0.0025773 k( 246) = ( 0.1391938 -0.7175710 0.0000000), wk = 0.0025773 k( 247) = ( 0.1345540 -0.6936520 0.0000000), wk = 0.0025773 k( 248) = ( 0.1299142 -0.6697330 0.0000000), wk = 0.0025773 k( 249) = ( 0.1252744 -0.6458139 0.0000000), wk = 0.0025773 k( 250) = ( 0.1206346 -0.6218949 0.0000000), wk = 0.0025773 k( 251) = ( 0.1159948 -0.5979758 0.0000000), wk = 0.0025773 k( 252) = ( 0.1113550 -0.5740568 0.0000000), wk = 0.0025773 k( 253) = ( 0.1067152 -0.5501378 0.0000000), wk = 0.0025773 k( 254) = ( 0.1020754 -0.5262188 0.0000000), wk = 0.0025773 k( 255) = ( 0.0974356 -0.5022997 0.0000000), wk = 0.0025773 k( 256) = ( 0.0927958 -0.4783807 0.0000000), wk = 0.0025773 k( 257) = ( 0.0881560 -0.4544616 0.0000000), wk = 0.0025773 k( 258) = ( 0.0835163 -0.4305426 0.0000000), wk = 0.0025773 k( 259) = ( 0.0788765 -0.4066236 0.0000000), wk = 0.0025773 k( 260) = ( 0.0742367 -0.3827046 0.0000000), wk = 0.0025773 k( 261) = ( 0.0695969 -0.3587855 0.0000000), wk = 0.0025773 k( 262) = ( 0.0649571 -0.3348665 0.0000000), wk = 0.0025773 k( 263) = ( 0.0603173 -0.3109474 0.0000000), wk = 0.0025773 k( 264) = ( 0.0556775 -0.2870284 0.0000000), wk = 0.0025773 k( 265) = ( 0.0510377 -0.2631094 0.0000000), wk = 0.0025773 k( 266) = ( 0.0463979 -0.2391904 0.0000000), wk = 0.0025773 k( 267) = ( 0.0417581 -0.2152713 0.0000000), wk = 0.0025773 k( 268) = ( 0.0371183 -0.1913523 0.0000000), wk = 0.0025773 k( 269) = ( 0.0324785 -0.1674332 0.0000000), wk = 0.0025773 k( 270) = ( 0.0278387 -0.1435142 0.0000000), wk = 0.0025773 k( 271) = ( 0.0231990 -0.1195952 0.0000000), wk = 0.0025773 k( 272) = ( 0.0185592 -0.0956762 0.0000000), wk = 0.0025773 k( 273) = ( 0.0139194 -0.0717571 0.0000000), wk = 0.0025773 k( 274) = ( 0.0092796 -0.0478381 0.0000000), wk = 0.0025773 k( 275) = ( 0.0046398 -0.0239190 0.0000000), wk = 0.0025773 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 278) = ( 0.0090909 -0.0225510 -0.0009800), wk = 0.0025773 k( 279) = ( 0.0181818 -0.0451020 -0.0019599), wk = 0.0025773 k( 280) = ( 0.0272727 -0.0676530 -0.0029399), wk = 0.0025773 k( 281) = ( 0.0363636 -0.0902039 -0.0039198), wk = 0.0025773 k( 282) = ( 0.0454546 -0.1127549 -0.0048998), wk = 0.0025773 k( 283) = ( 0.0545455 -0.1353059 -0.0058797), wk = 0.0025773 k( 284) = ( 0.0636364 -0.1578569 -0.0068597), wk = 0.0025773 k( 285) = ( 0.0727273 -0.1804079 -0.0078396), wk = 0.0025773 k( 286) = ( 0.0818182 -0.2029589 -0.0088196), wk = 0.0025773 k( 287) = ( 0.0909091 -0.2255098 -0.0097995), wk = 0.0025773 k( 288) = ( 0.1000000 -0.2480608 -0.0107795), wk = 0.0025773 k( 289) = ( 0.1090909 -0.2706118 -0.0117594), wk = 0.0025773 k( 290) = ( 0.1181818 -0.2931628 -0.0127394), wk = 0.0025773 k( 291) = ( 0.1272727 -0.3157138 -0.0137193), wk = 0.0025773 k( 292) = ( 0.1363636 -0.3382648 -0.0146993), wk = 0.0025773 k( 293) = ( 0.1454545 -0.3608158 -0.0156793), wk = 0.0025773 k( 294) = ( 0.1545455 -0.3833667 -0.0166592), wk = 0.0025773 k( 295) = ( 0.1636364 -0.4059177 -0.0176392), wk = 0.0025773 k( 296) = ( 0.1727273 -0.4284687 -0.0186191), wk = 0.0025773 k( 297) = ( 0.1818182 -0.4510197 -0.0195991), wk = 0.0025773 k( 298) = ( 0.1909091 -0.4735707 -0.0205790), wk = 0.0025773 k( 299) = ( 0.2000000 -0.4961217 -0.0215590), wk = 0.0025773 k( 300) = ( 0.2090909 -0.5186726 -0.0225389), wk = 0.0025773 k( 301) = ( 0.2181818 -0.5412236 -0.0235189), wk = 0.0025773 k( 302) = ( 0.2272727 -0.5637746 -0.0244988), wk = 0.0025773 k( 303) = ( 0.2363636 -0.5863256 -0.0254788), wk = 0.0025773 k( 304) = ( 0.2454545 -0.6088766 -0.0264587), wk = 0.0025773 k( 305) = ( 0.2545455 -0.6314276 -0.0274387), wk = 0.0025773 k( 306) = ( 0.2636364 -0.6539785 -0.0284186), wk = 0.0025773 k( 307) = ( 0.2727273 -0.6765295 -0.0293986), wk = 0.0025773 k( 308) = ( 0.2818182 -0.6990805 -0.0303786), wk = 0.0025773 k( 309) = ( 0.2909091 -0.7216315 -0.0313585), wk = 0.0025773 k( 310) = ( 0.3000000 -0.7441825 -0.0323385), wk = 0.0025773 k( 311) = ( 0.3090909 -0.7667335 -0.0333184), wk = 0.0025773 k( 312) = ( 0.3181818 -0.7892845 -0.0342984), wk = 0.0025773 k( 313) = ( 0.3272727 -0.8118355 -0.0352783), wk = 0.0025773 k( 314) = ( 0.3363636 -0.8343864 -0.0362583), wk = 0.0025773 k( 315) = ( 0.3454546 -0.8569374 -0.0372382), wk = 0.0025773 k( 316) = ( 0.3545454 -0.8794884 -0.0382182), wk = 0.0025773 k( 317) = ( 0.3636364 -0.9020394 -0.0391981), wk = 0.0025773 k( 318) = ( 0.3727273 -0.9245904 -0.0401781), wk = 0.0025773 k( 319) = ( 0.3818182 -0.9471414 -0.0411580), wk = 0.0025773 k( 320) = ( 0.3909091 -0.9696923 -0.0421380), wk = 0.0025773 k( 321) = ( 0.4000000 -0.9922433 -0.0431179), wk = 0.0025773 k( 322) = ( 0.4090909 -1.0147943 -0.0440979), wk = 0.0025773 k( 323) = ( 0.4181818 -1.0373453 -0.0450779), wk = 0.0025773 k( 324) = ( 0.4272727 -1.0598963 -0.0460578), wk = 0.0025773 k( 325) = ( 0.4363636 -1.0824473 -0.0470378), wk = 0.0025773 k( 326) = ( 0.4454546 -1.1049983 -0.0480177), wk = 0.0025773 k( 327) = ( 0.4545455 -1.1275492 -0.0489977), wk = 0.0025773 k( 328) = ( 0.4636364 -1.1501002 -0.0499776), wk = 0.0025773 k( 329) = ( 0.4727273 -1.1726512 -0.0509576), wk = 0.0025773 k( 330) = ( 0.4818182 -1.1952022 -0.0519375), wk = 0.0025773 k( 331) = ( 0.4909091 -1.2177532 -0.0529175), wk = 0.0025773 k( 332) = ( 0.5000000 -1.2403042 -0.0538974), wk = 0.0025773 k( 333) = ( 0.5000000 -1.2403042 0.2171535), wk = 0.0025773 k( 334) = ( 0.4909091 -1.2177532 0.2132052), wk = 0.0025773 k( 335) = ( 0.4818182 -1.1952022 0.2092570), wk = 0.0025773 k( 336) = ( 0.4727273 -1.1726512 0.2053087), wk = 0.0025773 k( 337) = ( 0.4636364 -1.1501002 0.2013605), wk = 0.0025773 k( 338) = ( 0.4545455 -1.1275492 0.1974123), wk = 0.0025773 k( 339) = ( 0.4454546 -1.1049983 0.1934640), wk = 0.0025773 k( 340) = ( 0.4363636 -1.0824473 0.1895158), wk = 0.0025773 k( 341) = ( 0.4272727 -1.0598963 0.1855675), wk = 0.0025773 k( 342) = ( 0.4181818 -1.0373453 0.1816193), wk = 0.0025773 k( 343) = ( 0.4090909 -1.0147943 0.1776710), wk = 0.0025773 k( 344) = ( 0.4000000 -0.9922433 0.1737228), wk = 0.0025773 k( 345) = ( 0.3909091 -0.9696923 0.1697745), wk = 0.0025773 k( 346) = ( 0.3818182 -0.9471414 0.1658263), wk = 0.0025773 k( 347) = ( 0.3727273 -0.9245904 0.1618781), wk = 0.0025773 k( 348) = ( 0.3636364 -0.9020394 0.1579298), wk = 0.0025773 k( 349) = ( 0.3545454 -0.8794884 0.1539816), wk = 0.0025773 k( 350) = ( 0.3454546 -0.8569374 0.1500333), wk = 0.0025773 k( 351) = ( 0.3363636 -0.8343864 0.1460851), wk = 0.0025773 k( 352) = ( 0.3272727 -0.8118355 0.1421368), wk = 0.0025773 k( 353) = ( 0.3181818 -0.7892845 0.1381886), wk = 0.0025773 k( 354) = ( 0.3090909 -0.7667335 0.1342403), wk = 0.0025773 k( 355) = ( 0.3000000 -0.7441825 0.1302921), wk = 0.0025773 k( 356) = ( 0.2909091 -0.7216315 0.1263438), wk = 0.0025773 k( 357) = ( 0.2818182 -0.6990805 0.1223956), wk = 0.0025773 k( 358) = ( 0.2727273 -0.6765295 0.1184474), wk = 0.0025773 k( 359) = ( 0.2636364 -0.6539785 0.1144991), wk = 0.0025773 k( 360) = ( 0.2545455 -0.6314276 0.1105509), wk = 0.0025773 k( 361) = ( 0.2454545 -0.6088766 0.1066026), wk = 0.0025773 k( 362) = ( 0.2363636 -0.5863256 0.1026544), wk = 0.0025773 k( 363) = ( 0.2272727 -0.5637746 0.0987061), wk = 0.0025773 k( 364) = ( 0.2181818 -0.5412236 0.0947579), wk = 0.0025773 k( 365) = ( 0.2090909 -0.5186726 0.0908096), wk = 0.0025773 k( 366) = ( 0.2000000 -0.4961217 0.0868614), wk = 0.0025773 k( 367) = ( 0.1909091 -0.4735707 0.0829131), wk = 0.0025773 k( 368) = ( 0.1818182 -0.4510197 0.0789649), wk = 0.0025773 k( 369) = ( 0.1727273 -0.4284687 0.0750167), wk = 0.0025773 k( 370) = ( 0.1636364 -0.4059177 0.0710684), wk = 0.0025773 k( 371) = ( 0.1545455 -0.3833667 0.0671202), wk = 0.0025773 k( 372) = ( 0.1454545 -0.3608158 0.0631719), wk = 0.0025773 k( 373) = ( 0.1363636 -0.3382648 0.0592237), wk = 0.0025773 k( 374) = ( 0.1272727 -0.3157138 0.0552754), wk = 0.0025773 k( 375) = ( 0.1181818 -0.2931628 0.0513272), wk = 0.0025773 k( 376) = ( 0.1090909 -0.2706118 0.0473789), wk = 0.0025773 k( 377) = ( 0.1000000 -0.2480608 0.0434307), wk = 0.0025773 k( 378) = ( 0.0909091 -0.2255098 0.0394825), wk = 0.0025773 k( 379) = ( 0.0818182 -0.2029589 0.0355342), wk = 0.0025773 k( 380) = ( 0.0727273 -0.1804079 0.0315860), wk = 0.0025773 k( 381) = ( 0.0636364 -0.1578569 0.0276377), wk = 0.0025773 k( 382) = ( 0.0545455 -0.1353059 0.0236895), wk = 0.0025773 k( 383) = ( 0.0454546 -0.1127549 0.0197412), wk = 0.0025773 k( 384) = ( 0.0363636 -0.0902039 0.0157930), wk = 0.0025773 k( 385) = ( 0.0272727 -0.0676530 0.0118447), wk = 0.0025773 k( 386) = ( 0.0181818 -0.0451020 0.0078965), wk = 0.0025773 k( 387) = ( 0.0090909 -0.0225510 0.0039482), wk = 0.0025773 k( 388) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0025773 k( 5) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0025773 k( 6) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0025773 k( 7) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0025773 k( 8) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0025773 k( 9) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0025773 k( 10) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0025773 k( 11) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0025773 k( 12) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025773 k( 13) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0025773 k( 14) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0025773 k( 15) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0025773 k( 16) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0025773 k( 17) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0025773 k( 18) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0025773 k( 19) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0025773 k( 20) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0025773 k( 21) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0025773 k( 22) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0025773 k( 23) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 24) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 25) = ( 0.5048457 0.5048457 0.0449491), wk = 0.0025773 k( 26) = ( 0.5096914 0.5096914 0.0898982), wk = 0.0025773 k( 27) = ( 0.5145371 0.5145371 0.1348472), wk = 0.0025773 k( 28) = ( 0.5193828 0.5193828 0.1797963), wk = 0.0025773 k( 29) = ( 0.5242286 0.5242286 0.2247454), wk = 0.0025773 k( 30) = ( 0.5290743 0.5290743 0.2696945), wk = 0.0025773 k( 31) = ( 0.5339200 0.5339200 0.3146436), wk = 0.0025773 k( 32) = ( 0.5339200 0.5339200 0.3146436), wk = 0.0025773 k( 33) = ( 0.5271360 0.5271360 0.3517149), wk = 0.0025773 k( 34) = ( 0.5203520 0.5203520 0.3887861), wk = 0.0025773 k( 35) = ( 0.5135680 0.5135680 0.4258574), wk = 0.0025773 k( 36) = ( 0.5067840 0.5067840 0.4629287), wk = 0.0025773 k( 37) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 38) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 39) = ( 0.5046594 0.4953406 0.5000000), wk = 0.0025773 k( 40) = ( 0.5093189 0.4906811 0.5000000), wk = 0.0025773 k( 41) = ( 0.5139783 0.4860217 0.5000000), wk = 0.0025773 k( 42) = ( 0.5186378 0.4813622 0.5000000), wk = 0.0025773 k( 43) = ( 0.5232972 0.4767028 0.5000000), wk = 0.0025773 k( 44) = ( 0.5279566 0.4720434 0.5000000), wk = 0.0025773 k( 45) = ( 0.5326161 0.4673839 0.5000000), wk = 0.0025773 k( 46) = ( 0.5372755 0.4627245 0.5000000), wk = 0.0025773 k( 47) = ( 0.5419349 0.4580651 0.5000000), wk = 0.0025773 k( 48) = ( 0.5465944 0.4534056 0.5000000), wk = 0.0025773 k( 49) = ( 0.5512538 0.4487462 0.5000000), wk = 0.0025773 k( 50) = ( 0.5559133 0.4440867 0.5000000), wk = 0.0025773 k( 51) = ( 0.5605727 0.4394273 0.5000000), wk = 0.0025773 k( 52) = ( 0.5652321 0.4347679 0.5000000), wk = 0.0025773 k( 53) = ( 0.5698916 0.4301084 0.5000000), wk = 0.0025773 k( 54) = ( 0.5745510 0.4254490 0.5000000), wk = 0.0025773 k( 55) = ( 0.5792104 0.4207896 0.5000000), wk = 0.0025773 k( 56) = ( 0.5838699 0.4161301 0.5000000), wk = 0.0025773 k( 57) = ( 0.5885293 0.4114707 0.5000000), wk = 0.0025773 k( 58) = ( 0.5931888 0.4068113 0.5000000), wk = 0.0025773 k( 59) = ( 0.5978482 0.4021518 0.5000000), wk = 0.0025773 k( 60) = ( 0.6025076 0.3974924 0.5000000), wk = 0.0025773 k( 61) = ( 0.6071671 0.3928329 0.5000000), wk = 0.0025773 k( 62) = ( 0.6118265 0.3881735 0.5000000), wk = 0.0025773 k( 63) = ( 0.6164859 0.3835141 0.5000000), wk = 0.0025773 k( 64) = ( 0.6211454 0.3788546 0.5000000), wk = 0.0025773 k( 65) = ( 0.6258048 0.3741952 0.5000000), wk = 0.0025773 k( 66) = ( 0.6304642 0.3695358 0.5000000), wk = 0.0025773 k( 67) = ( 0.6351237 0.3648763 0.5000000), wk = 0.0025773 k( 68) = ( 0.6397831 0.3602169 0.5000000), wk = 0.0025773 k( 69) = ( 0.6444426 0.3555574 0.5000000), wk = 0.0025773 k( 70) = ( 0.6491020 0.3508980 0.5000000), wk = 0.0025773 k( 71) = ( 0.6537614 0.3462386 0.5000000), wk = 0.0025773 k( 72) = ( 0.6584209 0.3415791 0.5000000), wk = 0.0025773 k( 73) = ( 0.6630803 0.3369197 0.5000000), wk = 0.0025773 k( 74) = ( 0.6677397 0.3322603 0.5000000), wk = 0.0025773 k( 75) = ( 0.6723992 0.3276008 0.5000000), wk = 0.0025773 k( 76) = ( 0.6770586 0.3229414 0.5000000), wk = 0.0025773 k( 77) = ( 0.6817180 0.3182819 0.5000000), wk = 0.0025773 k( 78) = ( 0.6863775 0.3136225 0.5000000), wk = 0.0025773 k( 79) = ( 0.6910369 0.3089631 0.5000000), wk = 0.0025773 k( 80) = ( 0.6956964 0.3043036 0.5000000), wk = 0.0025773 k( 81) = ( 0.7003558 0.2996442 0.5000000), wk = 0.0025773 k( 82) = ( 0.7050152 0.2949848 0.5000000), wk = 0.0025773 k( 83) = ( 0.7096747 0.2903253 0.5000000), wk = 0.0025773 k( 84) = ( 0.7143341 0.2856659 0.5000000), wk = 0.0025773 k( 85) = ( 0.7189935 0.2810065 0.5000000), wk = 0.0025773 k( 86) = ( 0.7236530 0.2763470 0.5000000), wk = 0.0025773 k( 87) = ( 0.7283124 0.2716876 0.5000000), wk = 0.0025773 k( 88) = ( 0.7329719 0.2670281 0.5000000), wk = 0.0025773 k( 89) = ( 0.7376313 0.2623687 0.5000000), wk = 0.0025773 k( 90) = ( 0.7422907 0.2577093 0.5000000), wk = 0.0025773 k( 91) = ( 0.2577093 -0.2577093 0.5000000), wk = 0.0025773 k( 92) = ( 0.2530236 -0.2530236 0.5000000), wk = 0.0025773 k( 93) = ( 0.2483380 -0.2483380 0.5000000), wk = 0.0025773 k( 94) = ( 0.2436524 -0.2436524 0.5000000), wk = 0.0025773 k( 95) = ( 0.2389668 -0.2389668 0.5000000), wk = 0.0025773 k( 96) = ( 0.2342811 -0.2342811 0.5000000), wk = 0.0025773 k( 97) = ( 0.2295955 -0.2295955 0.5000000), wk = 0.0025773 k( 98) = ( 0.2249099 -0.2249099 0.5000000), wk = 0.0025773 k( 99) = ( 0.2202243 -0.2202243 0.5000000), wk = 0.0025773 k( 100) = ( 0.2155386 -0.2155386 0.5000000), wk = 0.0025773 k( 101) = ( 0.2108530 -0.2108530 0.5000000), wk = 0.0025773 k( 102) = ( 0.2061674 -0.2061674 0.5000000), wk = 0.0025773 k( 103) = ( 0.2014818 -0.2014818 0.5000000), wk = 0.0025773 k( 104) = ( 0.1967962 -0.1967962 0.5000000), wk = 0.0025773 k( 105) = ( 0.1921105 -0.1921105 0.5000000), wk = 0.0025773 k( 106) = ( 0.1874249 -0.1874249 0.5000000), wk = 0.0025773 k( 107) = ( 0.1827393 -0.1827393 0.5000000), wk = 0.0025773 k( 108) = ( 0.1780537 -0.1780537 0.5000000), wk = 0.0025773 k( 109) = ( 0.1733680 -0.1733680 0.5000000), wk = 0.0025773 k( 110) = ( 0.1686824 -0.1686824 0.5000000), wk = 0.0025773 k( 111) = ( 0.1639968 -0.1639968 0.5000000), wk = 0.0025773 k( 112) = ( 0.1593112 -0.1593112 0.5000000), wk = 0.0025773 k( 113) = ( 0.1546256 -0.1546256 0.5000000), wk = 0.0025773 k( 114) = ( 0.1499399 -0.1499399 0.5000000), wk = 0.0025773 k( 115) = ( 0.1452543 -0.1452543 0.5000000), wk = 0.0025773 k( 116) = ( 0.1405687 -0.1405687 0.5000000), wk = 0.0025773 k( 117) = ( 0.1358831 -0.1358831 0.5000000), wk = 0.0025773 k( 118) = ( 0.1311974 -0.1311974 0.5000000), wk = 0.0025773 k( 119) = ( 0.1265118 -0.1265118 0.5000000), wk = 0.0025773 k( 120) = ( 0.1218262 -0.1218262 0.5000000), wk = 0.0025773 k( 121) = ( 0.1171406 -0.1171406 0.5000000), wk = 0.0025773 k( 122) = ( 0.1124549 -0.1124549 0.5000000), wk = 0.0025773 k( 123) = ( 0.1077693 -0.1077693 0.5000000), wk = 0.0025773 k( 124) = ( 0.1030837 -0.1030837 0.5000000), wk = 0.0025773 k( 125) = ( 0.0983981 -0.0983981 0.5000000), wk = 0.0025773 k( 126) = ( 0.0937125 -0.0937125 0.5000000), wk = 0.0025773 k( 127) = ( 0.0890268 -0.0890268 0.5000000), wk = 0.0025773 k( 128) = ( 0.0843412 -0.0843412 0.5000000), wk = 0.0025773 k( 129) = ( 0.0796556 -0.0796556 0.5000000), wk = 0.0025773 k( 130) = ( 0.0749700 -0.0749700 0.5000000), wk = 0.0025773 k( 131) = ( 0.0702843 -0.0702843 0.5000000), wk = 0.0025773 k( 132) = ( 0.0655987 -0.0655987 0.5000000), wk = 0.0025773 k( 133) = ( 0.0609131 -0.0609131 0.5000000), wk = 0.0025773 k( 134) = ( 0.0562275 -0.0562275 0.5000000), wk = 0.0025773 k( 135) = ( 0.0515419 -0.0515418 0.5000000), wk = 0.0025773 k( 136) = ( 0.0468562 -0.0468562 0.5000000), wk = 0.0025773 k( 137) = ( 0.0421706 -0.0421706 0.5000000), wk = 0.0025773 k( 138) = ( 0.0374850 -0.0374850 0.5000000), wk = 0.0025773 k( 139) = ( 0.0327994 -0.0327994 0.5000000), wk = 0.0025773 k( 140) = ( 0.0281137 -0.0281137 0.5000000), wk = 0.0025773 k( 141) = ( 0.0234281 -0.0234281 0.5000000), wk = 0.0025773 k( 142) = ( 0.0187425 -0.0187425 0.5000000), wk = 0.0025773 k( 143) = ( 0.0140569 -0.0140569 0.5000000), wk = 0.0025773 k( 144) = ( 0.0093712 -0.0093712 0.5000000), wk = 0.0025773 k( 145) = ( 0.0046856 -0.0046856 0.5000000), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 148) = ( 0.0233040 0.0233040 0.5092678), wk = 0.0025773 k( 149) = ( 0.0466080 0.0466080 0.5185356), wk = 0.0025773 k( 150) = ( 0.0699120 0.0699120 0.5278035), wk = 0.0025773 k( 151) = ( 0.0932160 0.0932160 0.5370713), wk = 0.0025773 k( 152) = ( 0.1165200 0.1165200 0.5463391), wk = 0.0025773 k( 153) = ( 0.1398240 0.1398240 0.5556069), wk = 0.0025773 k( 154) = ( 0.1631280 0.1631280 0.5648747), wk = 0.0025773 k( 155) = ( 0.1864320 0.1864320 0.5741426), wk = 0.0025773 k( 156) = ( 0.2097360 0.2097360 0.5834104), wk = 0.0025773 k( 157) = ( 0.2330400 0.2330400 0.5926782), wk = 0.0025773 k( 158) = ( 0.2563440 0.2563440 0.6019460), wk = 0.0025773 k( 159) = ( 0.2796480 0.2796480 0.6112139), wk = 0.0025773 k( 160) = ( 0.3029520 0.3029520 0.6204817), wk = 0.0025773 k( 161) = ( 0.3262560 0.3262560 0.6297495), wk = 0.0025773 k( 162) = ( 0.3495600 0.3495600 0.6390173), wk = 0.0025773 k( 163) = ( 0.3728640 0.3728640 0.6482852), wk = 0.0025773 k( 164) = ( 0.3961680 0.3961680 0.6575530), wk = 0.0025773 k( 165) = ( 0.4194720 0.4194720 0.6668208), wk = 0.0025773 k( 166) = ( 0.4427760 0.4427760 0.6760886), wk = 0.0025773 k( 167) = ( 0.4660800 0.4660800 0.6853564), wk = 0.0025773 k( 168) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 169) = ( 0.5047092 0.4952908 0.0000000), wk = 0.0025773 k( 170) = ( 0.5094185 0.4905815 0.0000000), wk = 0.0025773 k( 171) = ( 0.5141277 0.4858723 0.0000000), wk = 0.0025773 k( 172) = ( 0.5188370 0.4811630 -0.0000000), wk = 0.0025773 k( 173) = ( 0.5235462 0.4764538 0.0000000), wk = 0.0025773 k( 174) = ( 0.5282555 0.4717445 -0.0000000), wk = 0.0025773 k( 175) = ( 0.5329647 0.4670353 -0.0000000), wk = 0.0025773 k( 176) = ( 0.5376740 0.4623260 -0.0000000), wk = 0.0025773 k( 177) = ( 0.5423832 0.4576168 0.0000000), wk = 0.0025773 k( 178) = ( 0.5470925 0.4529075 0.0000000), wk = 0.0025773 k( 179) = ( 0.5518017 0.4481983 0.0000000), wk = 0.0025773 k( 180) = ( 0.5565110 0.4434890 0.0000000), wk = 0.0025773 k( 181) = ( 0.5612202 0.4387798 0.0000000), wk = 0.0025773 k( 182) = ( 0.5659295 0.4340705 0.0000000), wk = 0.0025773 k( 183) = ( 0.5706387 0.4293613 0.0000000), wk = 0.0025773 k( 184) = ( 0.5753480 0.4246520 0.0000000), wk = 0.0025773 k( 185) = ( 0.5800572 0.4199428 0.0000000), wk = 0.0025773 k( 186) = ( 0.5847665 0.4152335 0.0000000), wk = 0.0025773 k( 187) = ( 0.5894757 0.4105243 0.0000000), wk = 0.0025773 k( 188) = ( 0.5941850 0.4058150 0.0000000), wk = 0.0025773 k( 189) = ( 0.5988942 0.4011058 0.0000000), wk = 0.0025773 k( 190) = ( 0.6036035 0.3963965 -0.0000000), wk = 0.0025773 k( 191) = ( 0.6083127 0.3916873 -0.0000000), wk = 0.0025773 k( 192) = ( 0.6130220 0.3869780 0.0000000), wk = 0.0025773 k( 193) = ( 0.6177312 0.3822688 0.0000000), wk = 0.0025773 k( 194) = ( 0.6224405 0.3775596 0.0000000), wk = 0.0025773 k( 195) = ( 0.6271497 0.3728503 -0.0000000), wk = 0.0025773 k( 196) = ( 0.6318590 0.3681411 -0.0000000), wk = 0.0025773 k( 197) = ( 0.6365682 0.3634318 0.0000000), wk = 0.0025773 k( 198) = ( 0.6412775 0.3587226 0.0000000), wk = 0.0025773 k( 199) = ( 0.6459867 0.3540133 0.0000000), wk = 0.0025773 k( 200) = ( 0.6506959 0.3493041 0.0000000), wk = 0.0025773 k( 201) = ( 0.6554052 0.3445948 -0.0000000), wk = 0.0025773 k( 202) = ( 0.6601144 0.3398856 0.0000000), wk = 0.0025773 k( 203) = ( 0.6648237 0.3351763 -0.0000000), wk = 0.0025773 k( 204) = ( 0.6695329 0.3304671 0.0000000), wk = 0.0025773 k( 205) = ( 0.6742422 0.3257578 0.0000000), wk = 0.0025773 k( 206) = ( 0.6789514 0.3210486 0.0000000), wk = 0.0025773 k( 207) = ( 0.6836607 0.3163393 0.0000000), wk = 0.0025773 k( 208) = ( 0.6883699 0.3116301 0.0000000), wk = 0.0025773 k( 209) = ( 0.6930792 0.3069208 -0.0000000), wk = 0.0025773 k( 210) = ( 0.6977884 0.3022116 -0.0000000), wk = 0.0025773 k( 211) = ( 0.7024977 0.2975023 0.0000000), wk = 0.0025773 k( 212) = ( 0.7072069 0.2927931 0.0000000), wk = 0.0025773 k( 213) = ( 0.7119162 0.2880838 0.0000000), wk = 0.0025773 k( 214) = ( 0.7166254 0.2833746 0.0000000), wk = 0.0025773 k( 215) = ( 0.7213347 0.2786653 0.0000000), wk = 0.0025773 k( 216) = ( 0.7260439 0.2739561 0.0000000), wk = 0.0025773 k( 217) = ( 0.7307532 0.2692468 0.0000000), wk = 0.0025773 k( 218) = ( 0.7354624 0.2645376 0.0000000), wk = 0.0025773 k( 219) = ( 0.7401717 0.2598283 0.0000000), wk = 0.0025773 k( 220) = ( 0.2598283 -0.2598283 0.0000000), wk = 0.0025773 k( 221) = ( 0.2551886 -0.2551885 0.0000000), wk = 0.0025773 k( 222) = ( 0.2505488 -0.2505488 0.0000000), wk = 0.0025773 k( 223) = ( 0.2459090 -0.2459090 0.0000000), wk = 0.0025773 k( 224) = ( 0.2412692 -0.2412692 0.0000000), wk = 0.0025773 k( 225) = ( 0.2366294 -0.2366294 0.0000000), wk = 0.0025773 k( 226) = ( 0.2319896 -0.2319896 0.0000000), wk = 0.0025773 k( 227) = ( 0.2273498 -0.2273498 0.0000000), wk = 0.0025773 k( 228) = ( 0.2227100 -0.2227100 0.0000000), wk = 0.0025773 k( 229) = ( 0.2180702 -0.2180702 0.0000000), wk = 0.0025773 k( 230) = ( 0.2134304 -0.2134304 0.0000000), wk = 0.0025773 k( 231) = ( 0.2087906 -0.2087906 0.0000000), wk = 0.0025773 k( 232) = ( 0.2041508 -0.2041508 0.0000000), wk = 0.0025773 k( 233) = ( 0.1995110 -0.1995110 0.0000000), wk = 0.0025773 k( 234) = ( 0.1948712 -0.1948712 0.0000000), wk = 0.0025773 k( 235) = ( 0.1902315 -0.1902315 0.0000000), wk = 0.0025773 k( 236) = ( 0.1855917 -0.1855917 0.0000000), wk = 0.0025773 k( 237) = ( 0.1809519 -0.1809519 -0.0000000), wk = 0.0025773 k( 238) = ( 0.1763121 -0.1763121 0.0000000), wk = 0.0025773 k( 239) = ( 0.1716723 -0.1716723 0.0000000), wk = 0.0025773 k( 240) = ( 0.1670325 -0.1670325 0.0000000), wk = 0.0025773 k( 241) = ( 0.1623927 -0.1623927 0.0000000), wk = 0.0025773 k( 242) = ( 0.1577529 -0.1577529 -0.0000000), wk = 0.0025773 k( 243) = ( 0.1531131 -0.1531131 0.0000000), wk = 0.0025773 k( 244) = ( 0.1484733 -0.1484733 -0.0000000), wk = 0.0025773 k( 245) = ( 0.1438335 -0.1438335 0.0000000), wk = 0.0025773 k( 246) = ( 0.1391938 -0.1391937 0.0000000), wk = 0.0025773 k( 247) = ( 0.1345540 -0.1345540 0.0000000), wk = 0.0025773 k( 248) = ( 0.1299142 -0.1299142 0.0000000), wk = 0.0025773 k( 249) = ( 0.1252744 -0.1252744 0.0000000), wk = 0.0025773 k( 250) = ( 0.1206346 -0.1206346 0.0000000), wk = 0.0025773 k( 251) = ( 0.1159948 -0.1159948 -0.0000000), wk = 0.0025773 k( 252) = ( 0.1113550 -0.1113550 0.0000000), wk = 0.0025773 k( 253) = ( 0.1067152 -0.1067152 0.0000000), wk = 0.0025773 k( 254) = ( 0.1020754 -0.1020754 0.0000000), wk = 0.0025773 k( 255) = ( 0.0974356 -0.0974356 -0.0000000), wk = 0.0025773 k( 256) = ( 0.0927958 -0.0927958 -0.0000000), wk = 0.0025773 k( 257) = ( 0.0881560 -0.0881560 0.0000000), wk = 0.0025773 k( 258) = ( 0.0835163 -0.0835162 0.0000000), wk = 0.0025773 k( 259) = ( 0.0788765 -0.0788765 -0.0000000), wk = 0.0025773 k( 260) = ( 0.0742367 -0.0742367 -0.0000000), wk = 0.0025773 k( 261) = ( 0.0695969 -0.0695969 0.0000000), wk = 0.0025773 k( 262) = ( 0.0649571 -0.0649571 0.0000000), wk = 0.0025773 k( 263) = ( 0.0603173 -0.0603173 0.0000000), wk = 0.0025773 k( 264) = ( 0.0556775 -0.0556775 0.0000000), wk = 0.0025773 k( 265) = ( 0.0510377 -0.0510377 0.0000000), wk = 0.0025773 k( 266) = ( 0.0463979 -0.0463979 -0.0000000), wk = 0.0025773 k( 267) = ( 0.0417581 -0.0417581 0.0000000), wk = 0.0025773 k( 268) = ( 0.0371183 -0.0371183 0.0000000), wk = 0.0025773 k( 269) = ( 0.0324785 -0.0324785 0.0000000), wk = 0.0025773 k( 270) = ( 0.0278387 -0.0278387 0.0000000), wk = 0.0025773 k( 271) = ( 0.0231990 -0.0231990 -0.0000000), wk = 0.0025773 k( 272) = ( 0.0185592 -0.0185592 0.0000000), wk = 0.0025773 k( 273) = ( 0.0139194 -0.0139194 0.0000000), wk = 0.0025773 k( 274) = ( 0.0092796 -0.0092796 0.0000000), wk = 0.0025773 k( 275) = ( 0.0046398 -0.0046398 0.0000000), wk = 0.0025773 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 278) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0025773 k( 279) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0025773 k( 280) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0025773 k( 281) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0025773 k( 282) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0025773 k( 283) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0025773 k( 284) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0025773 k( 285) = ( 0.0727273 0.0000000 -0.0000000), wk = 0.0025773 k( 286) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0025773 k( 287) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0025773 k( 288) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0025773 k( 289) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0025773 k( 290) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0025773 k( 291) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0025773 k( 292) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0025773 k( 293) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0025773 k( 294) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0025773 k( 295) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0025773 k( 296) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0025773 k( 297) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0025773 k( 298) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0025773 k( 299) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0025773 k( 300) = ( 0.2090909 -0.0000000 0.0000000), wk = 0.0025773 k( 301) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0025773 k( 302) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0025773 k( 303) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0025773 k( 304) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0025773 k( 305) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0025773 k( 306) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0025773 k( 307) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0025773 k( 308) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0025773 k( 309) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0025773 k( 310) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0025773 k( 311) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0025773 k( 312) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0025773 k( 313) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0025773 k( 314) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0025773 k( 315) = ( 0.3454546 0.0000000 -0.0000000), wk = 0.0025773 k( 316) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0025773 k( 317) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0025773 k( 318) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0025773 k( 319) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0025773 k( 320) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0025773 k( 321) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0025773 k( 322) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0025773 k( 323) = ( 0.4181818 -0.0000000 0.0000000), wk = 0.0025773 k( 324) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0025773 k( 325) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0025773 k( 326) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0025773 k( 327) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0025773 k( 328) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0025773 k( 329) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0025773 k( 330) = ( 0.4818182 0.0000000 -0.0000000), wk = 0.0025773 k( 331) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0025773 k( 332) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 333) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 334) = ( 0.4909091 0.0000000 0.4909091), wk = 0.0025773 k( 335) = ( 0.4818182 0.0000000 0.4818182), wk = 0.0025773 k( 336) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0025773 k( 337) = ( 0.4636364 0.0000000 0.4636364), wk = 0.0025773 k( 338) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0025773 k( 339) = ( 0.4454546 0.0000000 0.4454546), wk = 0.0025773 k( 340) = ( 0.4363636 0.0000000 0.4363636), wk = 0.0025773 k( 341) = ( 0.4272727 0.0000000 0.4272727), wk = 0.0025773 k( 342) = ( 0.4181818 -0.0000000 0.4181818), wk = 0.0025773 k( 343) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0025773 k( 344) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0025773 k( 345) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0025773 k( 346) = ( 0.3818182 0.0000000 0.3818182), wk = 0.0025773 k( 347) = ( 0.3727273 0.0000000 0.3727273), wk = 0.0025773 k( 348) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0025773 k( 349) = ( 0.3545454 0.0000000 0.3545454), wk = 0.0025773 k( 350) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0025773 k( 351) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0025773 k( 352) = ( 0.3272727 0.0000000 0.3272727), wk = 0.0025773 k( 353) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0025773 k( 354) = ( 0.3090909 0.0000000 0.3090909), wk = 0.0025773 k( 355) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0025773 k( 356) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0025773 k( 357) = ( 0.2818182 0.0000000 0.2818182), wk = 0.0025773 k( 358) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0025773 k( 359) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0025773 k( 360) = ( 0.2545455 0.0000000 0.2545455), wk = 0.0025773 k( 361) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0025773 k( 362) = ( 0.2363636 0.0000000 0.2363636), wk = 0.0025773 k( 363) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0025773 k( 364) = ( 0.2181818 0.0000000 0.2181818), wk = 0.0025773 k( 365) = ( 0.2090909 -0.0000000 0.2090909), wk = 0.0025773 k( 366) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0025773 k( 367) = ( 0.1909091 0.0000000 0.1909091), wk = 0.0025773 k( 368) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0025773 k( 369) = ( 0.1727273 0.0000000 0.1727273), wk = 0.0025773 k( 370) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0025773 k( 371) = ( 0.1545455 0.0000000 0.1545455), wk = 0.0025773 k( 372) = ( 0.1454545 0.0000000 0.1454546), wk = 0.0025773 k( 373) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0025773 k( 374) = ( 0.1272727 0.0000000 0.1272727), wk = 0.0025773 k( 375) = ( 0.1181818 0.0000000 0.1181818), wk = 0.0025773 k( 376) = ( 0.1090909 0.0000000 0.1090909), wk = 0.0025773 k( 377) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0025773 k( 378) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0025773 k( 379) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0025773 k( 380) = ( 0.0727273 0.0000000 0.0727273), wk = 0.0025773 k( 381) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0025773 k( 382) = ( 0.0545455 0.0000000 0.0545455), wk = 0.0025773 k( 383) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0025773 k( 384) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0025773 k( 385) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0025773 k( 386) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0025773 k( 387) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0025773 k( 388) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 Dense grid: 135195 G-vectors FFT dimensions: ( 75, 75, 135) Smooth grid: 92335 G-vectors FFT dimensions: ( 64, 64, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 330, 30) NL pseudopotentials 0.17 Mb ( 165, 68) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.01 Mb ( 1874) G-vector shells 0.01 Mb ( 1874) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 330, 120) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu.save/charge-density.dat negative rho (up, down): 1.071E-03 0.000E+00 Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.2 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.3 secs Computing kpt 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24.8 secs Computing kpt #: 33 total cpu time spent up to now is 25.5 secs Computing kpt #: 34 total cpu time spent up to now is 26.3 secs Computing kpt #: 35 total cpu time spent up to now is 27.0 secs Computing kpt #: 36 total cpu time spent up to now is 27.9 secs Computing kpt #: 37 total cpu time spent up to now is 28.6 secs Computing kpt #: 38 total cpu time spent up to now is 29.3 secs Computing kpt #: 39 total cpu time spent up to now is 30.1 secs Computing kpt #: 40 total cpu time spent up to now is 30.8 secs Computing kpt #: 41 total cpu time spent up to now is 31.6 secs Computing kpt #: 42 total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 33.1 secs Computing kpt #: 44 total cpu time spent up to now is 33.8 secs Computing kpt #: 45 total cpu time spent up to now is 34.5 secs Computing kpt #: 46 total cpu time spent up to now is 35.2 secs Computing kpt #: 47 total cpu time spent up to now is 35.9 secs Computing kpt #: 48 total cpu 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Computing kpt #: 64 total cpu time spent up to now is 47.5 secs Computing kpt #: 65 total cpu time spent up to now is 48.2 secs Computing kpt #: 66 total cpu time spent up to now is 48.9 secs Computing kpt #: 67 total cpu time spent up to now is 49.6 secs Computing kpt #: 68 total cpu time spent up to now is 50.3 secs Computing kpt #: 69 total cpu time spent up to now is 51.0 secs Computing kpt #: 70 total cpu time spent up to now is 51.8 secs Computing kpt #: 71 total cpu time spent up to now is 52.5 secs Computing kpt #: 72 total cpu time spent up to now is 53.2 secs Computing kpt #: 73 total cpu time spent up to now is 54.0 secs Computing kpt #: 74 total cpu time spent up to now is 54.9 secs Computing kpt #: 75 total cpu time spent up to now is 55.7 secs Computing kpt #: 76 total cpu time spent up to now is 56.7 secs Computing kpt #: 77 total cpu time spent up to now is 57.7 secs Computing kpt #: 78 total cpu time spent up to now is 58.6 secs Computing kpt #: 79 total cpu time spent up to now is 59.2 secs Computing kpt #: 80 total cpu time spent up to now is 59.9 secs Computing kpt #: 81 total cpu time spent up to now is 60.5 secs Computing kpt #: 82 total cpu time spent up to now is 61.2 secs Computing kpt #: 83 total cpu time spent up to now is 61.8 secs Computing kpt #: 84 total cpu time spent up to now is 62.5 secs Computing kpt #: 85 total cpu time spent up to now is 63.1 secs Computing kpt #: 86 total cpu time spent up to now is 63.7 secs Computing kpt #: 87 total cpu time spent up to now is 64.4 secs Computing kpt #: 88 total cpu time spent up to now is 65.0 secs Computing kpt #: 89 total cpu time spent up to now is 65.6 secs Computing kpt #: 90 total cpu time spent up to now is 66.3 secs Computing kpt #: 91 total cpu time spent up to now is 67.0 secs Computing kpt #: 92 total cpu time spent up to now is 67.7 secs Computing kpt #: 93 total cpu time spent up to now is 68.5 secs Computing kpt #: 94 total cpu time spent up to now is 69.3 secs Computing kpt #: 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Computing kpt #: 126 total cpu time spent up to now is 90.8 secs Computing kpt #: 127 total cpu time spent up to now is 91.4 secs Computing kpt #: 128 total cpu time spent up to now is 91.9 secs Computing kpt #: 129 total cpu time spent up to now is 92.4 secs Computing kpt #: 130 total cpu time spent up to now is 92.9 secs Computing kpt #: 131 total cpu time spent up to now is 93.5 secs Computing kpt #: 132 total cpu time spent up to now is 94.1 secs Computing kpt #: 133 total cpu time spent up to now is 94.7 secs Computing kpt #: 134 total cpu time spent up to now is 95.3 secs Computing kpt #: 135 total cpu time spent up to now is 95.8 secs Computing kpt #: 136 total cpu time spent up to now is 96.4 secs Computing kpt #: 137 total cpu time spent up to now is 97.0 secs Computing kpt #: 138 total cpu time spent up to now is 97.6 secs Computing kpt #: 139 total cpu time spent up to now is 98.2 secs Computing kpt #: 140 total cpu time spent up to now is 98.8 secs Computing kpt #: 141 total cpu time spent up to now is 99.3 secs Computing kpt #: 142 total cpu time spent up to now is 99.9 secs Computing kpt #: 143 total cpu time spent up to now is 100.5 secs Computing kpt #: 144 total cpu time spent up to now is 101.0 secs Computing kpt #: 145 total cpu time spent up to now is 101.5 secs Computing kpt #: 146 total cpu time spent up to now is 102.1 secs Computing kpt #: 147 total cpu time spent up to now is 102.7 secs Computing kpt #: 148 total cpu time spent up to now is 103.2 secs Computing kpt #: 149 total cpu time spent up to now is 103.8 secs Computing kpt #: 150 total cpu time spent up to now is 104.3 secs Computing kpt #: 151 total cpu time spent up to now is 104.9 secs Computing kpt #: 152 total cpu time spent up to now is 105.4 secs Computing kpt #: 153 total cpu time spent up to now is 105.9 secs Computing kpt #: 154 total cpu time spent up to now is 106.4 secs Computing kpt #: 155 total cpu time spent up to now is 106.9 secs Computing kpt #: 156 total cpu 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up to now is 117.1 secs Computing kpt #: 172 total cpu time spent up to now is 117.7 secs Computing kpt #: 173 total cpu time spent up to now is 118.4 secs Computing kpt #: 174 total cpu time spent up to now is 119.1 secs Computing kpt #: 175 total cpu time spent up to now is 119.9 secs Computing kpt #: 176 total cpu time spent up to now is 120.6 secs Computing kpt #: 177 total cpu time spent up to now is 121.3 secs Computing kpt #: 178 total cpu time spent up to now is 122.0 secs Computing kpt #: 179 total cpu time spent up to now is 122.6 secs Computing kpt #: 180 total cpu time spent up to now is 123.4 secs Computing kpt #: 181 total cpu time spent up to now is 124.1 secs Computing kpt #: 182 total cpu time spent up to now is 124.8 secs Computing kpt #: 183 total cpu time spent up to now is 125.5 secs Computing kpt #: 184 total cpu time spent up to now is 126.2 secs Computing kpt #: 185 total cpu time spent up to now is 126.9 secs Computing kpt #: 186 total cpu time spent up to now is 127.5 secs Computing kpt #: 187 total cpu time spent up to now is 128.3 secs Computing kpt #: 188 total cpu time spent up to now is 129.0 secs Computing kpt #: 189 total cpu time spent up to now is 129.7 secs Computing kpt #: 190 total cpu time spent up to now is 130.4 secs Computing kpt #: 191 total cpu time spent up to now is 131.1 secs Computing kpt #: 192 total cpu time spent up to now is 131.8 secs Computing kpt #: 193 total cpu time spent up to now is 132.6 secs Computing kpt #: 194 total cpu time spent up to now is 133.3 secs Computing kpt #: 195 total cpu time spent up to now is 134.0 secs Computing kpt #: 196 total cpu time spent up to now is 134.8 secs Computing kpt #: 197 total cpu time spent up to now is 135.4 secs Computing kpt #: 198 total cpu time spent up to now is 136.2 secs Computing kpt #: 199 total cpu time spent up to now is 137.0 secs Computing kpt #: 200 total cpu time spent up to now is 137.8 secs Computing kpt #: 201 total cpu time spent up to now is 138.5 secs Computing kpt #: 202 total cpu time spent up to now is 139.2 secs Computing kpt #: 203 total cpu time spent up to now is 140.1 secs Computing kpt #: 204 total cpu time spent up to now is 141.1 secs Computing kpt #: 205 total cpu time spent up to now is 142.1 secs Computing kpt #: 206 total cpu time spent up to now is 143.0 secs Computing kpt #: 207 total cpu time spent up to now is 144.0 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.6 secs Computing kpt #: 209 total cpu time spent up to now is 146.4 secs Computing kpt #: 210 total cpu time spent up to now is 147.1 secs Computing kpt #: 211 total cpu time spent up to now is 147.8 secs Computing kpt #: 212 total cpu time spent up to now is 148.4 secs Computing kpt #: 213 total cpu time spent up to now is 149.0 secs Computing kpt #: 214 total cpu time spent up to now is 149.6 secs Computing kpt #: 215 total cpu time spent up to now is 150.2 secs Computing kpt #: 216 total cpu time spent up to now is 150.8 secs Computing kpt #: 217 total cpu time spent up to now is 151.5 secs Computing kpt #: 218 total cpu time spent up to now is 152.1 secs Computing kpt #: 219 total cpu time spent up to now is 152.8 secs Computing kpt #: 220 total cpu time spent up to now is 153.5 secs Computing kpt #: 221 total cpu time spent up to now is 154.2 secs Computing kpt #: 222 total cpu time spent up to now is 155.0 secs Computing kpt #: 223 total cpu time spent up to now is 155.8 secs Computing kpt #: 224 total cpu time spent up to now is 156.5 secs Computing kpt #: 225 total cpu time spent up to now is 157.2 secs Computing kpt #: 226 total cpu time spent up to now is 157.8 secs Computing kpt #: 227 total cpu time spent up to now is 158.5 secs Computing kpt #: 228 total cpu time spent up to now is 159.4 secs Computing kpt #: 229 total cpu time spent up to now is 160.2 secs Computing kpt #: 230 total cpu time spent up to now is 160.9 secs Computing kpt #: 231 total cpu time spent up to now is 161.5 secs Computing kpt #: 232 total cpu time spent up to now is 162.1 secs Computing kpt #: 233 total cpu time spent up to now is 162.6 secs Computing kpt #: 234 total cpu time spent up to now is 163.2 secs Computing kpt #: 235 total cpu time spent up to now is 163.7 secs Computing kpt #: 236 total cpu time spent up to now is 164.3 secs Computing kpt #: 237 total cpu time spent up to now is 164.8 secs Computing kpt #: 238 total cpu time spent up to now is 165.4 secs Computing kpt #: 239 total cpu time spent up to now is 166.0 secs Computing kpt #: 240 total cpu time spent up to now is 166.5 secs Computing kpt #: 241 total cpu time spent up to now is 167.1 secs Computing kpt #: 242 total cpu time spent up to now is 167.7 secs Computing kpt #: 243 total cpu time spent up to now is 168.3 secs Computing kpt #: 244 total cpu time spent up to now is 168.8 secs Computing kpt #: 245 total cpu time spent up to now is 169.4 secs Computing kpt #: 246 total cpu time spent up to now is 170.0 secs Computing kpt #: 247 total cpu time spent up to now is 170.7 secs Computing kpt #: 248 total cpu time spent up to now is 171.4 secs Computing kpt #: 249 total cpu time spent up to now is 172.0 secs Computing kpt #: 250 total cpu time spent up to now is 172.6 secs Computing kpt #: 251 total cpu time spent up to now is 173.3 secs Computing kpt #: 252 total cpu time spent up to now is 174.0 secs Computing kpt #: 253 total cpu time spent up to now is 174.7 secs Computing kpt #: 254 total cpu time spent up to now is 175.4 secs Computing kpt #: 255 total cpu time spent up to now is 176.1 secs Computing kpt #: 256 total cpu time spent up to now is 176.7 secs Computing kpt #: 257 total cpu time spent up to now is 177.4 secs Computing kpt #: 258 total cpu time spent up to now is 178.4 secs Computing kpt #: 259 total cpu time spent up to now is 179.0 secs Computing kpt #: 260 total cpu time spent up to now is 179.7 secs Computing kpt #: 261 total cpu time spent up to now is 180.3 secs Computing kpt #: 262 total cpu time spent up to now is 181.0 secs Computing kpt #: 263 total cpu time spent up to now is 181.7 secs Computing kpt #: 264 total cpu time spent up to now is 182.3 secs Computing kpt #: 265 total cpu time spent up to now is 183.0 secs Computing kpt #: 266 total cpu time spent up to now is 183.7 secs Computing kpt #: 267 total cpu time spent up to now is 184.3 secs Computing kpt #: 268 total cpu time spent up to now is 185.0 secs Computing kpt #: 269 total cpu time spent up to now is 185.6 secs Computing kpt #: 270 total cpu time spent up to now is 186.3 secs Computing kpt #: 271 total cpu time spent up to now is 186.8 secs Computing kpt #: 272 total cpu time spent up to now is 187.4 secs Computing kpt #: 273 total cpu time spent up to now is 188.0 secs Computing kpt #: 274 total cpu time spent up to now is 188.6 secs Computing kpt #: 275 total cpu time spent up to now is 189.2 secs Computing kpt #: 276 total cpu time spent up to now is 189.8 secs Computing kpt #: 277 total cpu time spent up to now is 190.5 secs Computing kpt #: 278 total cpu time spent up to now is 191.1 secs Computing kpt #: 279 total cpu time spent up to now is 191.7 secs Computing kpt #: 280 total cpu time spent up to now is 192.3 secs Computing kpt #: 281 total cpu time spent up to now is 192.9 secs Computing kpt #: 282 total cpu time spent up to now is 193.5 secs Computing kpt #: 283 total cpu time spent up to now is 194.2 secs Computing kpt #: 284 total cpu time spent up to now is 194.9 secs Computing kpt #: 285 total cpu time spent up to now is 195.6 secs Computing kpt #: 286 total cpu time spent up to now is 196.2 secs Computing kpt #: 287 total cpu time spent up to now is 196.9 secs Computing kpt #: 288 total cpu time spent up to now is 197.5 secs Computing kpt #: 289 total cpu time spent up to now is 198.2 secs Computing kpt #: 290 total cpu time spent up to now is 198.9 secs Computing kpt #: 291 total cpu time spent up to now is 199.6 secs Computing kpt #: 292 total cpu time spent up to now is 200.3 secs Computing kpt #: 293 total cpu time spent up to now is 201.0 secs Computing kpt #: 294 total cpu time spent up to now is 201.6 secs Computing kpt #: 295 total cpu time spent up to now is 202.2 secs Computing kpt #: 296 total cpu time spent up to now is 203.0 secs Computing kpt #: 297 total cpu time spent up to now is 203.7 secs Computing kpt #: 298 total cpu time spent up to now is 204.4 secs Computing kpt #: 299 total cpu time spent up to now is 205.1 secs Computing kpt #: 300 total cpu time spent up to now is 205.8 secs Computing kpt #: 301 total cpu time spent up to now is 206.5 secs Computing kpt #: 302 total cpu time spent up to now is 207.1 secs Computing kpt #: 303 total cpu time spent up to now is 207.8 secs Computing kpt #: 304 total cpu time spent up to now is 208.5 secs Computing kpt #: 305 total cpu time spent up to now is 209.2 secs Computing kpt #: 306 total cpu time spent up to now is 209.8 secs Computing kpt #: 307 total cpu time spent up to now is 210.5 secs Computing kpt #: 308 total cpu time spent up to now is 211.1 secs Computing kpt #: 309 total cpu time spent up to now is 211.6 secs Computing kpt #: 310 total cpu time spent up to now is 212.2 secs Computing kpt #: 311 total cpu time spent up to now is 213.1 secs Computing kpt #: 312 total cpu time spent up to now is 213.7 secs Computing kpt #: 313 total cpu time spent up to now is 214.2 secs Computing kpt #: 314 total cpu time spent up to now is 214.8 secs Computing kpt #: 315 total cpu time spent up to now is 215.3 secs Computing kpt #: 316 total cpu time spent up to now is 215.9 secs Computing kpt #: 317 total cpu time spent up to now is 216.5 secs Computing kpt #: 318 total cpu time spent up to now is 217.0 secs Computing kpt #: 319 total cpu time spent up to now is 217.6 secs Computing kpt #: 320 total cpu time spent up to now is 218.2 secs Computing kpt #: 321 total cpu time spent up to now is 218.8 secs Computing kpt #: 322 total cpu time spent up to now is 219.4 secs Computing kpt #: 323 total cpu time spent up to now is 220.0 secs Computing kpt #: 324 total cpu time spent up to now is 220.7 secs Computing kpt #: 325 total cpu time spent up to now is 221.5 secs Computing kpt #: 326 total cpu time spent up to now is 222.3 secs Computing kpt #: 327 total cpu time spent up to now is 223.1 secs Computing kpt #: 328 total cpu time spent up to now is 223.9 secs Computing kpt #: 329 total cpu time spent up to now is 224.7 secs Computing kpt #: 330 total cpu time spent up to now is 225.4 secs Computing kpt #: 331 total cpu time spent up to now is 226.2 secs Computing kpt #: 332 total cpu time spent up to now is 226.9 secs Computing kpt #: 333 total cpu time spent up to now is 227.7 secs Computing kpt #: 334 total cpu time spent up to now is 228.5 secs Computing kpt #: 335 total cpu time spent up to now is 229.3 secs Computing kpt #: 336 total cpu time spent up to now is 230.1 secs Computing kpt #: 337 total cpu time spent up to now is 231.0 secs Computing kpt #: 338 total cpu time spent up to now is 231.8 secs Computing kpt #: 339 total cpu time spent up to now is 232.6 secs Computing kpt #: 340 total cpu time spent up to now is 233.4 secs Computing kpt #: 341 total cpu time spent up to now is 234.2 secs Computing kpt #: 342 total cpu time spent up to now is 234.9 secs Computing kpt #: 343 total cpu time spent up to now is 235.6 secs Computing kpt #: 344 total cpu time spent up to now is 236.3 secs Computing kpt #: 345 total cpu time spent up to now is 236.9 secs Computing kpt #: 346 total cpu time spent up to now is 237.5 secs Computing kpt #: 347 total cpu time spent up to now is 238.2 secs Computing kpt #: 348 total cpu time spent up to now is 238.8 secs Computing kpt #: 349 total cpu time spent up to now is 239.4 secs Computing kpt #: 350 total cpu time spent up to now is 240.0 secs Computing kpt #: 351 total cpu time spent up to now is 240.7 secs Computing kpt #: 352 total cpu time spent up to now is 241.3 secs Computing kpt #: 353 total cpu time spent up to now is 241.9 secs Computing kpt #: 354 total cpu time spent up to now is 242.6 secs Computing kpt #: 355 total cpu time spent up to now is 243.2 secs Computing kpt #: 356 total cpu time spent up to now is 243.9 secs Computing kpt #: 357 total cpu time spent up to now is 244.6 secs Computing kpt #: 358 total cpu time spent up to now is 245.2 secs Computing kpt #: 359 total cpu time spent up to now is 245.9 secs Computing kpt #: 360 total cpu time spent up to now is 246.5 secs Computing kpt #: 361 total cpu time spent up to now is 247.2 secs Computing kpt #: 362 total cpu time spent up to now is 247.8 secs Computing kpt #: 363 total cpu time spent up to now is 248.5 secs Computing kpt #: 364 total cpu time spent up to now is 249.1 secs Computing kpt #: 365 total cpu time spent up to now is 249.7 secs Computing kpt #: 366 total cpu time spent up to now is 250.4 secs Computing kpt #: 367 total cpu time spent up to now is 251.0 secs Computing kpt #: 368 total cpu time spent up to now is 251.7 secs Computing kpt #: 369 total cpu time spent up to now is 252.3 secs Computing kpt #: 370 total cpu time spent up to now is 252.9 secs Computing kpt #: 371 total cpu time spent up to now is 253.5 secs Computing kpt #: 372 total cpu time spent up to now is 254.1 secs Computing kpt #: 373 total cpu time spent up to now is 254.8 secs Computing kpt #: 374 total cpu time spent up to now is 255.4 secs Computing kpt #: 375 total cpu time spent up to now is 256.1 secs Computing kpt #: 376 total cpu time spent up to now is 256.7 secs Computing kpt #: 377 total cpu time spent up to now is 257.4 secs Computing kpt #: 378 total cpu time spent up to now is 258.0 secs Computing kpt #: 379 total cpu time spent up to now is 258.6 secs Computing kpt #: 380 total cpu time spent up to now is 259.3 secs Computing kpt #: 381 total cpu time spent up to now is 259.9 secs Computing kpt #: 382 total cpu time spent up to now is 260.6 secs Computing kpt #: 383 total cpu time spent up to now is 261.3 secs Computing kpt #: 384 total cpu time spent up to now is 261.9 secs Computing kpt #: 385 total cpu time spent up to now is 262.7 secs Computing kpt #: 386 total cpu time spent up to now is 263.6 secs Computing kpt #: 387 total cpu time spent up to now is 264.2 secs Computing kpt #: 388 total cpu time spent up to now is 264.9 secs ethr = 4.55E-08, avg # of iterations = 31.9 total cpu time spent up to now is 264.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11475 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3632 -3.3632 -3.2554 -3.2554 -3.2429 -3.2429 -3.1030 -3.1030 0.6440 0.6440 1.2952 1.2952 k = 0.0227 0.0044-0.0049 ( 11470 PWs) bands (ev): -24.1162 -24.1162 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3633 -3.3633 -3.2554 -3.2554 -3.2433 -3.2433 -3.1030 -3.1030 0.6463 0.6463 1.2972 1.2972 k = 0.0455 0.0088-0.0098 ( 11472 PWs) bands (ev): -24.1162 -24.1162 -23.9805 -23.9805 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3882 -7.3882 -6.3380 -6.3380 -3.3636 -3.3636 -3.2554 -3.2554 -3.2444 -3.2444 -3.1030 -3.1030 0.6533 0.6533 1.3031 1.3031 k = 0.0682 0.0132-0.0147 ( 11476 PWs) bands (ev): -24.1162 -24.1162 -23.9806 -23.9806 -21.3126 -21.3126 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3880 -7.3880 -6.3380 -6.3380 -3.3642 -3.3642 -3.2554 -3.2554 -3.2463 -3.2463 -3.1030 -3.1030 0.6649 0.6649 1.3129 1.3129 k = 0.0909 0.0176-0.0196 ( 11484 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3877 -7.3877 -6.3380 -6.3380 -3.3650 -3.3650 -3.2554 -3.2554 -3.2487 -3.2487 -3.1030 -3.1030 0.6810 0.6810 1.3264 1.3264 k = 0.1136 0.0220-0.0245 ( 11491 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3874 -7.3874 -6.3380 -6.3380 -3.3661 -3.3661 -3.2555 -3.2555 -3.2517 -3.2517 -3.1030 -3.1030 0.7013 0.7013 1.3433 1.3433 k = 0.1364 0.0265-0.0294 ( 11489 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3870 -7.3870 -6.3380 -6.3380 -3.3675 -3.3675 -3.2555 -3.2555 -3.2550 -3.2550 -3.1030 -3.1030 0.7256 0.7256 1.3629 1.3629 k = 0.1591 0.0309-0.0343 ( 11480 PWs) bands (ev): -24.1162 -24.1162 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3866 -7.3866 -6.3380 -6.3380 -3.3692 -3.3692 -3.2587 -3.2587 -3.2554 -3.2554 -3.1029 -3.1029 0.7537 0.7537 1.3837 1.3837 k = 0.1818 0.0353-0.0392 ( 11481 PWs) bands (ev): -24.1161 -24.1161 -23.9805 -23.9805 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3861 -7.3861 -6.3380 -6.3380 -3.3713 -3.3713 -3.2625 -3.2625 -3.2554 -3.2554 -3.1030 -3.1030 0.7852 0.7852 1.4027 1.4027 k = 0.2045 0.0397-0.0441 ( 11493 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3855 -7.3855 -6.3380 -6.3380 -3.3738 -3.3738 -3.2662 -3.2662 -3.2554 -3.2554 -3.1030 -3.1030 0.8199 0.8199 1.4146 1.4146 k = 0.2273 0.0441-0.0490 ( 11499 PWs) bands (ev): -24.1162 -24.1162 -23.9805 -23.9805 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3850 -7.3850 -6.3380 -6.3380 -3.3767 -3.3767 -3.2697 -3.2697 -3.2554 -3.2554 -3.1030 -3.1030 0.8573 0.8573 1.4159 1.4159 k = 0.2500 0.0485-0.0539 ( 11497 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3844 -7.3844 -6.3380 -6.3380 -3.3799 -3.3799 -3.2729 -3.2729 -3.2554 -3.2554 -3.1030 -3.1030 0.8972 0.8972 1.4092 1.4092 k = 0.2727 0.0529-0.0588 ( 11499 PWs) bands (ev): -24.1162 -24.1162 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3839 -7.3839 -6.3380 -6.3380 -3.3834 -3.3834 -3.2758 -3.2758 -3.2554 -3.2554 -3.1030 -3.1030 0.9392 0.9392 1.3983 1.3983 k = 0.2955 0.0573-0.0637 ( 11504 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3833 -7.3833 -6.3380 -6.3380 -3.3871 -3.3871 -3.2783 -3.2783 -3.2554 -3.2554 -3.1030 -3.1030 0.9830 0.9830 1.3858 1.3858 k = 0.3182 0.0617-0.0686 ( 11504 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3828 -7.3828 -6.3380 -6.3380 -3.3909 -3.3909 -3.2805 -3.2805 -3.2554 -3.2554 -3.1029 -3.1029 1.0282 1.0282 1.3731 1.3731 k = 0.3409 0.0661-0.0735 ( 11514 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3823 -7.3823 -6.3380 -6.3380 -3.3947 -3.3947 -3.2822 -3.2822 -3.2554 -3.2554 -3.1030 -3.1030 1.0744 1.0744 1.3611 1.3611 k = 0.3636 0.0705-0.0784 ( 11515 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3819 -7.3819 -6.3380 -6.3380 -3.3983 -3.3983 -3.2837 -3.2837 -3.2554 -3.2554 -3.1030 -3.1030 1.1210 1.1210 1.3509 1.3509 k = 0.3864 0.0749-0.0833 ( 11514 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3815 -7.3815 -6.3380 -6.3380 -3.4015 -3.4015 -3.2848 -3.2848 -3.2554 -3.2554 -3.1030 -3.1030 1.1667 1.1667 1.3434 1.3434 k = 0.4091 0.0794-0.0882 ( 11513 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3811 -7.3811 -6.3380 -6.3380 -3.4044 -3.4044 -3.2856 -3.2856 -3.2554 -3.2554 -3.1030 -3.1030 1.2093 1.2093 1.3409 1.3409 k = 0.4318 0.0838-0.0931 ( 11511 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3809 -7.3809 -6.3380 -6.3380 -3.4067 -3.4067 -3.2862 -3.2862 -3.2554 -3.2554 -3.1030 -3.1030 1.2440 1.2440 1.3474 1.3474 k = 0.4545 0.0882-0.0980 ( 11503 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3807 -7.3807 -6.3380 -6.3380 -3.4084 -3.4084 -3.2867 -3.2867 -3.2554 -3.2554 -3.1029 -3.1029 1.2646 1.2646 1.3674 1.3674 k = 0.4773 0.0926-0.1029 ( 11519 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4095 -3.4095 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2729 1.2729 1.3943 1.3943 k = 0.5000 0.0970-0.1078 ( 11506 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2748 1.2748 1.4085 1.4085 k = 0.5000 0.0970-0.1078 ( 11506 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2748 1.2748 1.4085 1.4085 k = 0.5048 0.0979-0.0845 ( 11515 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2751 1.2751 1.4074 1.4074 k = 0.5097 0.0989-0.0612 ( 11524 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2756 1.2756 1.4050 1.4050 k = 0.5145 0.0998-0.0378 ( 11535 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4097 -3.4097 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2760 1.2760 1.4032 1.4032 k = 0.5194 0.1007-0.0145 ( 11538 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4096 -3.4096 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2754 1.2754 1.4038 1.4038 k = 0.5242 0.1017 0.0088 ( 11532 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4094 -3.4094 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2734 1.2734 1.4077 1.4077 k = 0.5291 0.1026 0.0321 ( 11523 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4093 -3.4093 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2701 1.2701 1.4148 1.4148 k = 0.5339 0.1036 0.0555 ( 11528 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4090 -3.4090 -3.2868 -3.2868 -3.2554 -3.2554 -3.1030 -3.1030 1.2659 1.2659 1.4232 1.4232 k = 0.5339 0.1036 0.0555 ( 11528 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4090 -3.4090 -3.2868 -3.2868 -3.2554 -3.2554 -3.1030 -3.1030 1.2659 1.2659 1.4232 1.4232 k = 0.5271 0.1023 0.0770 ( 11521 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4093 -3.4093 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2644 1.2644 1.4305 1.4305 k = 0.5204 0.1009 0.0986 ( 11521 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4095 -3.4095 -3.2869 -3.2869 -3.2554 -3.2554 -3.1030 -3.1030 1.2625 1.2625 1.4380 1.4380 k = 0.5136 0.0996 0.1201 ( 11529 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4097 -3.4097 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2606 1.2606 1.4448 1.4448 k = 0.5068 0.0983 0.1417 ( 11516 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1029 -3.1029 1.2593 1.2593 1.4497 1.4497 k = 0.5000 0.0970 0.1633 ( 11512 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1029 -3.1029 1.2589 1.2589 1.4515 1.4515 k = 0.5000 0.0970 0.1633 ( 11512 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1029 -3.1029 1.2589 1.2589 1.4515 1.4515 k = 0.5047 0.0730 0.1633 ( 11514 PWs) bands (ev): -24.1161 -24.1161 -23.9804 -23.9804 -21.3127 -21.3127 -21.1188 -21.1188 -16.2964 -16.2964 -9.7446 -9.7446 -9.4823 -9.4823 -7.3800 -7.3800 -6.3385 -6.3385 -3.4314 -3.4314 -3.3085 -3.3085 -3.2312 -3.2312 -3.0852 -3.0852 1.2604 1.2604 1.4530 1.4530 k = 0.5093 0.0489 0.1633 ( 11502 PWs) bands (ev): -24.1152 -24.1152 -23.9795 -23.9795 -21.3125 -21.3125 -21.1186 -21.1186 -16.2935 -16.2935 -9.7450 -9.7450 -9.4827 -9.4827 -7.3783 -7.3783 -6.3400 -6.3400 -3.4787 -3.4787 -3.3528 -3.3528 -3.1841 -3.1841 -3.0439 -3.0439 1.2648 1.2648 1.4572 1.4572 k = 0.5140 0.0249 0.1633 ( 11498 PWs) bands (ev): -24.1138 -24.1138 -23.9781 -23.9781 -21.3123 -21.3123 -21.1184 -21.1184 -16.2888 -16.2888 -9.7456 -9.7456 -9.4834 -9.4834 -7.3756 -7.3756 -6.3425 -6.3425 -3.5353 -3.5353 -3.4064 -3.4064 -3.1299 -3.1299 -2.9931 -2.9931 1.2722 1.2722 1.4644 1.4644 k = 0.5186 0.0009 0.1633 ( 11508 PWs) bands (ev): -24.1121 -24.1121 -23.9763 -23.9763 -21.3119 -21.3119 -21.1180 -21.1180 -16.2822 -16.2822 -9.7466 -9.7466 -9.4843 -9.4843 -7.3719 -7.3719 -6.3458 -6.3458 -3.5957 -3.5957 -3.4646 -3.4646 -3.0731 -3.0731 -2.9386 -2.9386 1.2826 1.2826 1.4744 1.4744 k = 0.5233-0.0231 0.1633 ( 11504 PWs) bands (ev): -24.1098 -24.1098 -23.9739 -23.9739 -21.3114 -21.3114 -21.1174 -21.1174 -16.2738 -16.2738 -9.7478 -9.7478 -9.4856 -9.4856 -7.3673 -7.3673 -6.3497 -6.3497 -3.6583 -3.6583 -3.5252 -3.5252 -3.0152 -3.0152 -2.8825 -2.8825 1.2959 1.2959 1.4872 1.4872 k = 0.5280-0.0471 0.1633 ( 11506 PWs) bands (ev): -24.1069 -24.1069 -23.9709 -23.9709 -21.3108 -21.3108 -21.1168 -21.1168 -16.2635 -16.2635 -9.7493 -9.7493 -9.4871 -9.4871 -7.3621 -7.3621 -6.3541 -6.3541 -3.7222 -3.7222 -3.5875 -3.5875 -2.9569 -2.9569 -2.8254 -2.8254 1.3122 1.3122 1.5029 1.5029 k = 0.5326-0.0712 0.1633 ( 11504 PWs) bands (ev): -24.1036 -24.1036 -23.9674 -23.9674 -21.3101 -21.3101 -21.1161 -21.1161 -16.2514 -16.2514 -9.7510 -9.7510 -9.4888 -9.4888 -7.3565 -7.3565 -6.3588 -6.3588 -3.7873 -3.7873 -3.6510 -3.6510 -2.8983 -2.8983 -2.7679 -2.7679 1.3314 1.3314 1.5214 1.5214 k = 0.5373-0.0952 0.1633 ( 11518 PWs) bands (ev): -24.0998 -24.0998 -23.9635 -23.9635 -21.3093 -21.3093 -21.1153 -21.1153 -16.2376 -16.2376 -9.7530 -9.7530 -9.4909 -9.4909 -7.3506 -7.3506 -6.3634 -6.3634 -3.8533 -3.8533 -3.7156 -3.7156 -2.8396 -2.8396 -2.7100 -2.7100 1.3536 1.3536 1.5426 1.5426 k = 0.5419-0.1192 0.1633 ( 11528 PWs) bands (ev): -24.0956 -24.0956 -23.9592 -23.9592 -21.3084 -21.3084 -21.1144 -21.1144 -16.2219 -16.2219 -9.7552 -9.7552 -9.4931 -9.4931 -7.3448 -7.3448 -6.3675 -6.3675 -3.9200 -3.9200 -3.7810 -3.7810 -2.7807 -2.7807 -2.6518 -2.6518 1.3787 1.3787 1.5666 1.5666 k = 0.5466-0.1432 0.1633 ( 11528 PWs) bands (ev): -24.0908 -24.0908 -23.9542 -23.9542 -21.3075 -21.3075 -21.1134 -21.1134 -16.2046 -16.2046 -9.7576 -9.7576 -9.4956 -9.4956 -7.3394 -7.3394 -6.3708 -6.3708 -3.9875 -3.9875 -3.8472 -3.8472 -2.7217 -2.7217 -2.5932 -2.5932 1.4068 1.4068 1.5934 1.5934 k = 0.5513-0.1672 0.1633 ( 11534 PWs) bands (ev): -24.0856 -24.0856 -23.9487 -23.9487 -21.3064 -21.3064 -21.1124 -21.1124 -16.1855 -16.1855 -9.7603 -9.7603 -9.4984 -9.4984 -7.3349 -7.3349 -6.3727 -6.3727 -4.0555 -4.0555 -3.9141 -3.9141 -2.6625 -2.6625 -2.5344 -2.5344 1.4378 1.4378 1.6228 1.6228 k = 0.5559-0.1913 0.1633 ( 11544 PWs) bands (ev): -24.0800 -24.0800 -23.9429 -23.9429 -21.3053 -21.3053 -21.1112 -21.1112 -16.1648 -16.1648 -9.7632 -9.7632 -9.5013 -9.5013 -7.3317 -7.3317 -6.3728 -6.3728 -4.1241 -4.1241 -3.9816 -3.9816 -2.6029 -2.6029 -2.4752 -2.4752 1.4718 1.4718 1.6549 1.6549 k = 0.5606-0.2153 0.1633 ( 11560 PWs) bands (ev): -24.0740 -24.0740 -23.9367 -23.9367 -21.3041 -21.3041 -21.1099 -21.1099 -16.1425 -16.1425 -9.7663 -9.7663 -9.5045 -9.5045 -7.3301 -7.3301 -6.3706 -6.3706 -4.1932 -4.1932 -4.0495 -4.0495 -2.5431 -2.5431 -2.4156 -2.4156 1.5087 1.5087 1.6895 1.6895 k = 0.5652-0.2393 0.1633 ( 11558 PWs) bands (ev): -24.0675 -24.0675 -23.9300 -23.9300 -21.3027 -21.3027 -21.1086 -21.1086 -16.1187 -16.1187 -9.7695 -9.7695 -9.5079 -9.5079 -7.3308 -7.3308 -6.3654 -6.3654 -4.2625 -4.2625 -4.1179 -4.1179 -2.4829 -2.4829 -2.3556 -2.3556 1.5485 1.5485 1.7267 1.7267 k = 0.5699-0.2633 0.1633 ( 11564 PWs) bands (ev): -24.0608 -24.0608 -23.9229 -23.9229 -21.3013 -21.3013 -21.1071 -21.1071 -16.0933 -16.0933 -9.7730 -9.7730 -9.5115 -9.5115 -7.3340 -7.3340 -6.3569 -6.3569 -4.3322 -4.3322 -4.1866 -4.1866 -2.4223 -2.4223 -2.2951 -2.2951 1.5913 1.5913 1.7662 1.7662 k = 0.5746-0.2873 0.1633 ( 11558 PWs) bands (ev): -24.0535 -24.0535 -23.9154 -23.9154 -21.2998 -21.2998 -21.1056 -21.1056 -16.0666 -16.0666 -9.7767 -9.7767 -9.5152 -9.5152 -7.3402 -7.3402 -6.3444 -6.3444 -4.4020 -4.4020 -4.2555 -4.2555 -2.3611 -2.3611 -2.2340 -2.2340 1.6369 1.6369 1.8079 1.8079 k = 0.5792-0.3114 0.1633 ( 11556 PWs) bands (ev): -24.0460 -24.0460 -23.9076 -23.9076 -21.2982 -21.2982 -21.1040 -21.1040 -16.0384 -16.0384 -9.7805 -9.7805 -9.5191 -9.5191 -7.3497 -7.3497 -6.3277 -6.3277 -4.4719 -4.4719 -4.3245 -4.3245 -2.2995 -2.2995 -2.1724 -2.1724 1.6854 1.6854 1.8516 1.8516 k = 0.5839-0.3354 0.1633 ( 11550 PWs) bands (ev): -24.0381 -24.0381 -23.8994 -23.8994 -21.2966 -21.2966 -21.1023 -21.1023 -16.0090 -16.0090 -9.7844 -9.7844 -9.5232 -9.5232 -7.3626 -7.3626 -6.3063 -6.3063 -4.5418 -4.5418 -4.3936 -4.3936 -2.2372 -2.2372 -2.1101 -2.1101 1.7368 1.7368 1.8971 1.8971 k = 0.5885-0.3594 0.1633 ( 11562 PWs) bands (ev): -24.0301 -24.0301 -23.8911 -23.8911 -21.2949 -21.2949 -21.1006 -21.1006 -15.9783 -15.9783 -9.7885 -9.7885 -9.5274 -9.5274 -7.3790 -7.3790 -6.2802 -6.2802 -4.6115 -4.6115 -4.4626 -4.4626 -2.1743 -2.1743 -2.0472 -2.0472 1.7909 1.7909 1.9439 1.9439 k = 0.5932-0.3834 0.1633 ( 11558 PWs) bands (ev): -24.0217 -24.0217 -23.8824 -23.8824 -21.2932 -21.2932 -21.0988 -21.0988 -15.9465 -15.9465 -9.7927 -9.7927 -9.5317 -9.5317 -7.3989 -7.3989 -6.2493 -6.2493 -4.6810 -4.6810 -4.5314 -4.5314 -2.1108 -2.1108 -1.9836 -1.9836 1.8477 1.8477 1.9915 1.9915 k = 0.5978-0.4074 0.1633 ( 11554 PWs) bands (ev): -24.0130 -24.0130 -23.8734 -23.8734 -21.2915 -21.2915 -21.0971 -21.0971 -15.9136 -15.9136 -9.7970 -9.7970 -9.5361 -9.5361 -7.4221 -7.4221 -6.2135 -6.2135 -4.7502 -4.7502 -4.5999 -4.5999 -2.0466 -2.0466 -1.9194 -1.9194 1.9068 1.9068 2.0391 2.0391 k = 0.6025-0.4315 0.1633 ( 11552 PWs) bands (ev): -24.0042 -24.0042 -23.8642 -23.8642 -21.2897 -21.2897 -21.0953 -21.0953 -15.8797 -15.8797 -9.8014 -9.8014 -9.5406 -9.5406 -7.4486 -7.4486 -6.1729 -6.1729 -4.8188 -4.8188 -4.6679 -4.6679 -1.9817 -1.9817 -1.8544 -1.8544 1.9679 1.9679 2.0856 2.0856 k = 0.6072-0.4555 0.1633 ( 11548 PWs) bands (ev): -23.9953 -23.9953 -23.8549 -23.8549 -21.2879 -21.2879 -21.0934 -21.0934 -15.8450 -15.8450 -9.8058 -9.8058 -9.5452 -9.5452 -7.4779 -7.4779 -6.1277 -6.1277 -4.8869 -4.8869 -4.7355 -4.7355 -1.9162 -1.9162 -1.7888 -1.7888 2.0294 2.0294 2.1297 2.1297 k = 0.6118-0.4795 0.1633 ( 11544 PWs) bands (ev): -23.9861 -23.9861 -23.8454 -23.8454 -21.2860 -21.2860 -21.0915 -21.0915 -15.8095 -15.8095 -9.8104 -9.8104 -9.5498 -9.5498 -7.5099 -7.5099 -6.0779 -6.0779 -4.9543 -4.9543 -4.8023 -4.8023 -1.8499 -1.8499 -1.7224 -1.7224 2.0867 2.0867 2.1716 2.1716 k = 0.6165-0.5035 0.1633 ( 11544 PWs) bands (ev): -23.9769 -23.9769 -23.8359 -23.8359 -21.2842 -21.2842 -21.0895 -21.0895 -15.7732 -15.7732 -9.8149 -9.8149 -9.5545 -9.5545 -7.5442 -7.5442 -6.0238 -6.0238 -5.0208 -5.0208 -4.8684 -4.8684 -1.7829 -1.7829 -1.6554 -1.6554 2.1250 2.1250 2.2188 2.2188 k = 0.6211-0.5275 0.1633 ( 11564 PWs) bands (ev): -23.9678 -23.9678 -23.8263 -23.8263 -21.2823 -21.2823 -21.0877 -21.0877 -15.7364 -15.7364 -9.8195 -9.8195 -9.5592 -9.5592 -7.5805 -7.5805 -5.9656 -5.9656 -5.0864 -5.0864 -4.9335 -4.9335 -1.7154 -1.7154 -1.5878 -1.5878 2.1247 2.1247 2.2805 2.2805 k = 0.6258-0.5516 0.1633 ( 11564 PWs) bands (ev): -23.9585 -23.9585 -23.8166 -23.8166 -21.2804 -21.2804 -21.0857 -21.0857 -15.6992 -15.6992 -9.8241 -9.8241 -9.5640 -9.5640 -7.6186 -7.6186 -5.9033 -5.9033 -5.1509 -5.1509 -4.9977 -4.9977 -1.6472 -1.6472 -1.5195 -1.5195 2.0793 2.0793 2.3529 2.3529 k = 0.6305-0.5756 0.1633 ( 11566 PWs) bands (ev): -23.9491 -23.9491 -23.8069 -23.8069 -21.2786 -21.2786 -21.0838 -21.0838 -15.6615 -15.6615 -9.8288 -9.8288 -9.5687 -9.5687 -7.6581 -7.6581 -5.8373 -5.8373 -5.2143 -5.2143 -5.0607 -5.0607 -1.5784 -1.5784 -1.4507 -1.4507 1.9900 1.9900 2.4313 2.4313 k = 0.6351-0.5996 0.1633 ( 11572 PWs) bands (ev): -23.9398 -23.9398 -23.7972 -23.7972 -21.2767 -21.2767 -21.0819 -21.0819 -15.6236 -15.6236 -9.8333 -9.8333 -9.5734 -9.5734 -7.6987 -7.6987 -5.7676 -5.7676 -5.2763 -5.2763 -5.1224 -5.1224 -1.5092 -1.5092 -1.3815 -1.3815 1.8645 1.8645 2.5139 2.5139 k = 0.6398-0.6236 0.1633 ( 11584 PWs) bands (ev): -23.9305 -23.9305 -23.7876 -23.7876 -21.2749 -21.2749 -21.0800 -21.0800 -15.5857 -15.5857 -9.8379 -9.8379 -9.5781 -9.5781 -7.7402 -7.7402 -5.6944 -5.6944 -5.3369 -5.3369 -5.1827 -5.1827 -1.4395 -1.4395 -1.3118 -1.3118 1.7138 1.7138 2.6001 2.6001 k = 0.6444-0.6476 0.1633 ( 11584 PWs) bands (ev): -23.9213 -23.9213 -23.7780 -23.7780 -21.2730 -21.2730 -21.0781 -21.0781 -15.5477 -15.5477 -9.8424 -9.8424 -9.5827 -9.5827 -7.7822 -7.7822 -5.6179 -5.6179 -5.3959 -5.3959 -5.2415 -5.2415 -1.3696 -1.3696 -1.2418 -1.2418 1.5468 1.5468 2.6896 2.6896 k = 0.6491-0.6717 0.1633 ( 11590 PWs) bands (ev): -23.9122 -23.9122 -23.7686 -23.7686 -21.2712 -21.2712 -21.0763 -21.0763 -15.5099 -15.5099 -9.8468 -9.8468 -9.5873 -9.5873 -7.8246 -7.8246 -5.5382 -5.5382 -5.4532 -5.4532 -5.2987 -5.2987 -1.2994 -1.2994 -1.1717 -1.1717 1.3700 1.3700 2.7823 2.7823 k = 0.6538-0.6957 0.1633 ( 11584 PWs) bands (ev): -23.9032 -23.9032 -23.7592 -23.7592 -21.2694 -21.2694 -21.0744 -21.0744 -15.4723 -15.4723 -9.8512 -9.8512 -9.5917 -9.5917 -7.8671 -7.8671 -5.5095 -5.5095 -5.4548 -5.4548 -5.3542 -5.3542 -1.2293 -1.2293 -1.1014 -1.1014 1.1874 1.1874 2.8780 2.8780 k = 0.6584-0.7197 0.1633 ( 11576 PWs) bands (ev): -23.8944 -23.8944 -23.7501 -23.7501 -21.2676 -21.2676 -21.0726 -21.0726 -15.4352 -15.4352 -9.8554 -9.8554 -9.5961 -9.5961 -7.9094 -7.9094 -5.5630 -5.5630 -5.4078 -5.4078 -5.3692 -5.3692 -1.1592 -1.1592 -1.0313 -1.0313 1.0016 1.0016 2.9768 2.9768 k = 0.6631-0.7437 0.1633 ( 11576 PWs) bands (ev): -23.8858 -23.8858 -23.7411 -23.7411 -21.2659 -21.2659 -21.0708 -21.0708 -15.3987 -15.3987 -9.8596 -9.8596 -9.6004 -9.6004 -7.9512 -7.9512 -5.6148 -5.6148 -5.4595 -5.4595 -5.2807 -5.2807 -1.0894 -1.0894 -0.9614 -0.9614 0.8144 0.8144 3.0786 3.0786 k = 0.6677-0.7677 0.1633 ( 11574 PWs) bands (ev): -23.8774 -23.8774 -23.7324 -23.7324 -21.2643 -21.2643 -21.0692 -21.0692 -15.3629 -15.3629 -9.8636 -9.8636 -9.6045 -9.6045 -7.9925 -7.9925 -5.6645 -5.6645 -5.5091 -5.5091 -5.1895 -5.1895 -1.0201 -1.0201 -0.8920 -0.8920 0.6273 0.6273 3.1834 3.1834 k = 0.6724-0.7918 0.1633 ( 11598 PWs) bands (ev): -23.8695 -23.8695 -23.7242 -23.7242 -21.2627 -21.2627 -21.0676 -21.0676 -15.3280 -15.3280 -9.8675 -9.8675 -9.6085 -9.6085 -8.0330 -8.0330 -5.7121 -5.7121 -5.5566 -5.5566 -5.0958 -5.0958 -0.9515 -0.9515 -0.8232 -0.8232 0.4411 0.4411 3.2912 3.2912 k = 0.6771-0.8158 0.1633 ( 11592 PWs) bands (ev): -23.8617 -23.8617 -23.7161 -23.7161 -21.2612 -21.2612 -21.0660 -21.0660 -15.2940 -15.2940 -9.8712 -9.8712 -9.6123 -9.6123 -8.0723 -8.0723 -5.7574 -5.7574 -5.6018 -5.6018 -4.9999 -4.9999 -0.8840 -0.8840 -0.7554 -0.7554 0.2567 0.2567 3.4019 3.4019 k = 0.6817-0.8398 0.1633 ( 11584 PWs) bands (ev): -23.8543 -23.8543 -23.7083 -23.7083 -21.2596 -21.2596 -21.0644 -21.0644 -15.2612 -15.2612 -9.8748 -9.8748 -9.6160 -9.6160 -8.1105 -8.1105 -5.8004 -5.8004 -5.6447 -5.6447 -4.9019 -4.9019 -0.8178 -0.8178 -0.6888 -0.6888 0.0749 0.0749 3.5156 3.5156 k = 0.6864-0.8638 0.1633 ( 11594 PWs) bands (ev): -23.8472 -23.8472 -23.7010 -23.7010 -21.2583 -21.2583 -21.0630 -21.0630 -15.2298 -15.2298 -9.8782 -9.8782 -9.6195 -9.6195 -8.1471 -8.1471 -5.8409 -5.8409 -5.6852 -5.6852 -4.8022 -4.8022 -0.7535 -0.7535 -0.6237 -0.6237 -0.1037 -0.1037 3.6322 3.6322 k = 0.6910-0.8878 0.1633 ( 11590 PWs) bands (ev): -23.8405 -23.8405 -23.6940 -23.6940 -21.2570 -21.2570 -21.0616 -21.0616 -15.1998 -15.1998 -9.8814 -9.8814 -9.6227 -9.6227 -8.1821 -8.1821 -5.8789 -5.8789 -5.7232 -5.7232 -4.7011 -4.7011 -0.6918 -0.6918 -0.5604 -0.5604 -0.2779 -0.2779 3.7649 3.7649 k = 0.6957-0.9119 0.1633 ( 11588 PWs) bands (ev): -23.8341 -23.8341 -23.6874 -23.6874 -21.2557 -21.2557 -21.0604 -21.0604 -15.1714 -15.1714 -9.8844 -9.8844 -9.6258 -9.6258 -8.2152 -8.2152 -5.9144 -5.9144 -5.7585 -5.7585 -4.5989 -4.5989 -0.6362 -0.6362 -0.5003 -0.5003 -0.4431 -0.4431 3.8292 3.8292 k = 0.7004-0.9359 0.1633 ( 11586 PWs) bands (ev): -23.8282 -23.8282 -23.6812 -23.6812 -21.2546 -21.2546 -21.0592 -21.0592 -15.1447 -15.1447 -9.8872 -9.8872 -9.6287 -9.6287 -8.2463 -8.2463 -5.9471 -5.9471 -5.7913 -5.7913 -4.4962 -4.4962 -0.6445 -0.6445 -0.5452 -0.5452 -0.4400 -0.4400 3.8873 3.8873 k = 0.7050-0.9599 0.1633 ( 11578 PWs) bands (ev): -23.8227 -23.8227 -23.6755 -23.6755 -21.2535 -21.2535 -21.0581 -21.0581 -15.1199 -15.1199 -9.8897 -9.8897 -9.6313 -9.6313 -8.2753 -8.2753 -5.9772 -5.9772 -5.8213 -5.8213 -4.3936 -4.3936 -0.7891 -0.7891 -0.5064 -0.5064 -0.3846 -0.3846 3.9386 3.9386 k = 0.7097-0.9839 0.1633 ( 11576 PWs) bands (ev): -23.8178 -23.8178 -23.6704 -23.6704 -21.2525 -21.2525 -21.0571 -21.0571 -15.0972 -15.0972 -9.8921 -9.8921 -9.6337 -9.6337 -8.3019 -8.3019 -6.0044 -6.0044 -5.8485 -5.8485 -4.2920 -4.2920 -0.9412 -0.9412 -0.4572 -0.4572 -0.3325 -0.3325 3.9830 3.9830 k = 0.7143-1.0079 0.1633 ( 11594 PWs) bands (ev): -23.8134 -23.8134 -23.6658 -23.6658 -21.2517 -21.2517 -21.0563 -21.0563 -15.0766 -15.0766 -9.8942 -9.8942 -9.6359 -9.6359 -8.3259 -8.3259 -6.0289 -6.0289 -5.8729 -5.8729 -4.1923 -4.1923 -1.0875 -1.0875 -0.4103 -0.4103 -0.2843 -0.2843 4.0208 4.0208 k = 0.7190-1.0320 0.1633 ( 11598 PWs) bands (ev): -23.8095 -23.8095 -23.6618 -23.6618 -21.2509 -21.2509 -21.0555 -21.0555 -15.0582 -15.0582 -9.8961 -9.8961 -9.6378 -9.6378 -8.3474 -8.3474 -6.0504 -6.0504 -5.8945 -5.8945 -4.0959 -4.0959 -1.2252 -1.2252 -0.3672 -0.3672 -0.2404 -0.2404 4.0527 4.0527 k = 0.7237-1.0560 0.1633 ( 11598 PWs) bands (ev): -23.8060 -23.8060 -23.6582 -23.6582 -21.2503 -21.2503 -21.0548 -21.0548 -15.0422 -15.0422 -9.8977 -9.8977 -9.6395 -9.6395 -8.3661 -8.3661 -6.0690 -6.0690 -5.9131 -5.9131 -4.0046 -4.0046 -1.3524 -1.3524 -0.3287 -0.3287 -0.2012 -0.2012 4.0799 4.0799 k = 0.7283-1.0800 0.1633 ( 11594 PWs) bands (ev): -23.8031 -23.8031 -23.6551 -23.6551 -21.2497 -21.2497 -21.0542 -21.0542 -15.0287 -15.0287 -9.8990 -9.8990 -9.6409 -9.6409 -8.3819 -8.3819 -6.0846 -6.0846 -5.9287 -5.9287 -3.9207 -3.9207 -1.4666 -1.4666 -0.2953 -0.2953 -0.1673 -0.1673 4.1040 4.1040 k = 0.7330-1.1040 0.1633 ( 11596 PWs) bands (ev): -23.8007 -23.8007 -23.6527 -23.6527 -21.2493 -21.2493 -21.0538 -21.0538 -15.0177 -15.0177 -9.9002 -9.9002 -9.6420 -9.6420 -8.3948 -8.3948 -6.0973 -6.0973 -5.9413 -5.9413 -3.8467 -3.8467 -1.5650 -1.5650 -0.2674 -0.2674 -0.1391 -0.1391 4.1265 4.1265 k = 0.7376-1.1280 0.1633 ( 11594 PWs) bands (ev): -23.7990 -23.7990 -23.6508 -23.6508 -21.2489 -21.2489 -21.0534 -21.0534 -15.0092 -15.0092 -9.9010 -9.9010 -9.6429 -9.6429 -8.4046 -8.4046 -6.1069 -6.1069 -5.9510 -5.9510 -3.7860 -3.7860 -1.6443 -1.6443 -0.2455 -0.2455 -0.1169 -0.1169 4.1492 4.1492 k = 0.7423-1.1521 0.1633 ( 11594 PWs) bands (ev): -23.7977 -23.7977 -23.6495 -23.6495 -21.2487 -21.2487 -21.0532 -21.0532 -15.0034 -15.0034 -9.9016 -9.9016 -9.6435 -9.6435 -8.4114 -8.4114 -6.1135 -6.1135 -5.9575 -5.9575 -3.7420 -3.7420 -1.7012 -1.7012 -0.2298 -0.2298 -0.1009 -0.1009 4.1736 4.1736 k = 0.2577-1.3285 0.2711 ( 11594 PWs) bands (ev): -23.7977 -23.7977 -23.6495 -23.6495 -21.2487 -21.2487 -21.0532 -21.0532 -15.0034 -15.0034 -9.9016 -9.9016 -9.6435 -9.6435 -8.4114 -8.4114 -6.1135 -6.1135 -5.9575 -5.9575 -3.7420 -3.7420 -1.7012 -1.7012 -0.2298 -0.2298 -0.1009 -0.1009 4.1736 4.1736 k = 0.2530-1.3044 0.2711 ( 11594 PWs) bands (ev): -23.7970 -23.7970 -23.6488 -23.6488 -21.2486 -21.2486 -21.0531 -21.0531 -15.0003 -15.0003 -9.9019 -9.9019 -9.6438 -9.6438 -8.4151 -8.4151 -6.1170 -6.1170 -5.9611 -5.9611 -3.7175 -3.7175 -1.7327 -1.7327 -0.2205 -0.2205 -0.0915 -0.0915 4.2012 4.2012 k = 0.2483-1.2802 0.2711 ( 11600 PWs) bands (ev): -23.7970 -23.7970 -23.6488 -23.6488 -21.2486 -21.2486 -21.0531 -21.0531 -14.9999 -14.9999 -9.9019 -9.9019 -9.6438 -9.6438 -8.4155 -8.4155 -6.1174 -6.1174 -5.9615 -5.9615 -3.7149 -3.7149 -1.7364 -1.7364 -0.2178 -0.2178 -0.0888 -0.0888 4.2254 4.2254 k = 0.2437-1.2561 0.2711 ( 11606 PWs) bands (ev): -23.7975 -23.7975 -23.6493 -23.6493 -21.2487 -21.2487 -21.0532 -21.0532 -15.0023 -15.0023 -9.9017 -9.9017 -9.6436 -9.6436 -8.4128 -8.4128 -6.1148 -6.1148 -5.9588 -5.9588 -3.7344 -3.7344 -1.7121 -1.7121 -0.2217 -0.2217 -0.0928 -0.0928 4.2102 4.2102 k = 0.2390-1.2319 0.2711 ( 11610 PWs) bands (ev): -23.7986 -23.7986 -23.6505 -23.6505 -21.2489 -21.2489 -21.0534 -21.0534 -15.0073 -15.0073 -9.9012 -9.9012 -9.6431 -9.6431 -8.4069 -8.4069 -6.1090 -6.1090 -5.9531 -5.9531 -3.7744 -3.7744 -1.6614 -1.6614 -0.2322 -0.2322 -0.1036 -0.1036 4.1937 4.1937 k = 0.2343-1.2078 0.2711 ( 11614 PWs) bands (ev): -23.8003 -23.8003 -23.6522 -23.6522 -21.2492 -21.2492 -21.0537 -21.0537 -15.0150 -15.0150 -9.9004 -9.9004 -9.6423 -9.6423 -8.3979 -8.3979 -6.1002 -6.1002 -5.9442 -5.9442 -3.8320 -3.8320 -1.5872 -1.5872 -0.2491 -0.2491 -0.1208 -0.1208 4.1736 4.1736 k = 0.2296-1.1836 0.2711 ( 11614 PWs) bands (ev): -23.8025 -23.8025 -23.6545 -23.6545 -21.2497 -21.2497 -21.0542 -21.0542 -15.0254 -15.0254 -9.8994 -9.8994 -9.6412 -9.6412 -8.3858 -8.3858 -6.0883 -6.0883 -5.9323 -5.9323 -3.9038 -3.9038 -1.4930 -1.4930 -0.2721 -0.2721 -0.1443 -0.1443 4.1465 4.1465 k = 0.2249-1.1595 0.2711 ( 11604 PWs) bands (ev): -23.8052 -23.8052 -23.6573 -23.6573 -21.2502 -21.2502 -21.0547 -21.0547 -15.0383 -15.0383 -9.8981 -9.8981 -9.6399 -9.6399 -8.3707 -8.3707 -6.0733 -6.0733 -5.9174 -5.9174 -3.9864 -3.9864 -1.3822 -1.3822 -0.3010 -0.3010 -0.1737 -0.1737 4.1093 4.1093 k = 0.2202-1.1353 0.2711 ( 11598 PWs) bands (ev): -23.8085 -23.8085 -23.6607 -23.6607 -21.2508 -21.2508 -21.0553 -21.0553 -15.0538 -15.0538 -9.8965 -9.8965 -9.6383 -9.6383 -8.3526 -8.3526 -6.0554 -6.0554 -5.8994 -5.8994 -4.0770 -4.0770 -1.2577 -1.2577 -0.3353 -0.3353 -0.2087 -0.2087 4.0594 4.0594 k = 0.2155-1.1111 0.2711 ( 11594 PWs) bands (ev): -23.8123 -23.8123 -23.6647 -23.6647 -21.2516 -21.2516 -21.0561 -21.0561 -15.0716 -15.0716 -9.8947 -9.8947 -9.6364 -9.6364 -8.3318 -8.3318 -6.0344 -6.0344 -5.8785 -5.8785 -4.1732 -4.1732 -1.1221 -1.1221 -0.3745 -0.3745 -0.2488 -0.2488 3.9958 3.9958 k = 0.2109-1.0870 0.2711 ( 11596 PWs) bands (ev): -23.8167 -23.8167 -23.6692 -23.6692 -21.2524 -21.2524 -21.0570 -21.0570 -15.0918 -15.0918 -9.8926 -9.8926 -9.6343 -9.6343 -8.3082 -8.3082 -6.0106 -6.0106 -5.8546 -5.8546 -4.2731 -4.2731 -0.9775 -0.9775 -0.4180 -0.4180 -0.2935 -0.2935 3.8832 3.8832 k = 0.2062-1.0628 0.2711 ( 11586 PWs) bands (ev): -23.8214 -23.8214 -23.6742 -23.6742 -21.2534 -21.2534 -21.0580 -21.0580 -15.1141 -15.1141 -9.8903 -9.8903 -9.6319 -9.6319 -8.2821 -8.2821 -5.9838 -5.9838 -5.8279 -5.8279 -4.3752 -4.3752 -0.8262 -0.8262 -0.4646 -0.4646 -0.3425 -0.3425 3.7561 3.7561 k = 0.2015-1.0387 0.2711 ( 11586 PWs) bands (ev): -23.8268 -23.8268 -23.6797 -23.6797 -21.2544 -21.2544 -21.0590 -21.0590 -15.1386 -15.1386 -9.8878 -9.8878 -9.6293 -9.6293 -8.2536 -8.2536 -5.9542 -5.9542 -5.7983 -5.7983 -4.4785 -4.4785 -0.6736 -0.6736 -0.5098 -0.5098 -0.3951 -0.3951 3.6322 3.6322 k = 0.1968-1.0145 0.2711 ( 11594 PWs) bands (ev): -23.8326 -23.8326 -23.6858 -23.6858 -21.2556 -21.2556 -21.0602 -21.0602 -15.1649 -15.1649 -9.8850 -9.8850 -9.6265 -9.6265 -8.2228 -8.2228 -5.9219 -5.9219 -5.7660 -5.7660 -4.5820 -4.5820 -0.5966 -0.5966 -0.4787 -0.4787 -0.4495 -0.4495 3.5118 3.5118 k = 0.1921-0.9904 0.2711 ( 11584 PWs) bands (ev): -23.8389 -23.8389 -23.6923 -23.6923 -21.2568 -21.2568 -21.0615 -21.0615 -15.1931 -15.1931 -9.8821 -9.8821 -9.6235 -9.6235 -8.1899 -8.1899 -5.8868 -5.8868 -5.7310 -5.7310 -4.6851 -4.6851 -0.6424 -0.6424 -0.5104 -0.5104 -0.3196 -0.3196 3.3950 3.3950 k = 0.1874-0.9662 0.2711 ( 11592 PWs) bands (ev): -23.8456 -23.8456 -23.6994 -23.6994 -21.2581 -21.2581 -21.0628 -21.0628 -15.2229 -15.2229 -9.8789 -9.8789 -9.6202 -9.6202 -8.1552 -8.1552 -5.8491 -5.8491 -5.6933 -5.6933 -4.7872 -4.7872 -0.7010 -0.7010 -0.5715 -0.5715 -0.1486 -0.1486 3.2823 3.2823 k = 0.1827-0.9421 0.2711 ( 11596 PWs) bands (ev): -23.8527 -23.8527 -23.7067 -23.7067 -21.2595 -21.2595 -21.0642 -21.0642 -15.2542 -15.2542 -9.8755 -9.8755 -9.6167 -9.6167 -8.1187 -8.1187 -5.8088 -5.8088 -5.6531 -5.6531 -4.8879 -4.8879 -0.7631 -0.7631 -0.6349 -0.6349 0.0270 0.0270 3.1738 3.1738 k = 0.1781-0.9179 0.2711 ( 11592 PWs) bands (ev): -23.8601 -23.8601 -23.7144 -23.7144 -21.2609 -21.2609 -21.0657 -21.0657 -15.2869 -15.2869 -9.8720 -9.8720 -9.6131 -9.6131 -8.0807 -8.0807 -5.7660 -5.7660 -5.6104 -5.6104 -4.9869 -4.9869 -0.8275 -0.8275 -0.7000 -0.7000 0.2052 0.2052 3.0702 3.0702 k = 0.1734-0.8937 0.2711 ( 11588 PWs) bands (ev): -23.8679 -23.8679 -23.7225 -23.7225 -21.2624 -21.2624 -21.0672 -21.0672 -15.3208 -15.3208 -9.8683 -9.8683 -9.6093 -9.6093 -8.0413 -8.0413 -5.7209 -5.7209 -5.5653 -5.5653 -5.0839 -5.0839 -0.8935 -0.8935 -0.7665 -0.7665 0.3849 0.3849 2.9719 2.9719 k = 0.1687-0.8696 0.2711 ( 11578 PWs) bands (ev): -23.8759 -23.8759 -23.7308 -23.7308 -21.2640 -21.2640 -21.0689 -21.0689 -15.3557 -15.3557 -9.8644 -9.8644 -9.6053 -9.6053 -8.0009 -8.0009 -5.6734 -5.6734 -5.5179 -5.5179 -5.1786 -5.1786 -0.9609 -0.9609 -0.8342 -0.8342 0.5646 0.5646 2.8800 2.8800 k = 0.1640-0.8454 0.2711 ( 11572 PWs) bands (ev): -23.8842 -23.8842 -23.7394 -23.7394 -21.2656 -21.2656 -21.0705 -21.0705 -15.3916 -15.3916 -9.8604 -9.8604 -9.6012 -9.6012 -7.9596 -7.9596 -5.6237 -5.6237 -5.4683 -5.4683 -5.2709 -5.2709 -1.0292 -1.0292 -0.9027 -0.9027 0.7425 0.7425 2.7959 2.7959 k = 0.1593-0.8213 0.2711 ( 11572 PWs) bands (ev): -23.8927 -23.8927 -23.7483 -23.7483 -21.2674 -21.2674 -21.0723 -21.0723 -15.4282 -15.4282 -9.8562 -9.8562 -9.5969 -9.5969 -7.9176 -7.9176 -5.5719 -5.5719 -5.4166 -5.4166 -5.3605 -5.3605 -1.0982 -1.0982 -0.9719 -0.9719 0.9164 0.9164 2.7216 2.7216 k = 0.1546-0.7971 0.2711 ( 11568 PWs) bands (ev): -23.9015 -23.9015 -23.7575 -23.7575 -21.2691 -21.2691 -21.0741 -21.0741 -15.4654 -15.4654 -9.8520 -9.8520 -9.5925 -9.5925 -7.8751 -7.8751 -5.5182 -5.5182 -5.4472 -5.4472 -5.3629 -5.3629 -1.1677 -1.1677 -1.0415 -1.0415 1.0825 1.0825 2.6603 2.6603 k = 0.1499-0.7730 0.2711 ( 11560 PWs) bands (ev): -23.9105 -23.9105 -23.7668 -23.7668 -21.2708 -21.2708 -21.0759 -21.0759 -15.5031 -15.5031 -9.8476 -9.8476 -9.5881 -9.5881 -7.8325 -7.8325 -5.5316 -5.5316 -5.4619 -5.4619 -5.3073 -5.3073 -1.2374 -1.2374 -1.1114 -1.1114 1.2356 1.2356 2.6168 2.6168 k = 0.1453-0.7488 0.2711 ( 11566 PWs) bands (ev): -23.9197 -23.9197 -23.7764 -23.7764 -21.2727 -21.2727 -21.0777 -21.0777 -15.5411 -15.5411 -9.8432 -9.8432 -9.5835 -9.5835 -7.7899 -7.7899 -5.6122 -5.6122 -5.4044 -5.4044 -5.2499 -5.2499 -1.3073 -1.3073 -1.1813 -1.1813 1.3683 1.3683 2.5557 2.5557 k = 0.1406-0.7247 0.2711 ( 11560 PWs) bands (ev): -23.9289 -23.9289 -23.7859 -23.7859 -21.2745 -21.2745 -21.0797 -21.0797 -15.5792 -15.5792 -9.8386 -9.8386 -9.5789 -9.5789 -7.7476 -7.7476 -5.6896 -5.6896 -5.3452 -5.3452 -5.1909 -5.1909 -1.3772 -1.3772 -1.2513 -1.2513 1.4717 1.4717 2.4677 2.4677 k = 0.1359-0.7005 0.2711 ( 11562 PWs) bands (ev): -23.9383 -23.9383 -23.7957 -23.7957 -21.2764 -21.2764 -21.0816 -21.0816 -15.6174 -15.6174 -9.8341 -9.8341 -9.5742 -9.5742 -7.7059 -7.7059 -5.7637 -5.7637 -5.2843 -5.2843 -5.1302 -5.1302 -1.4469 -1.4469 -1.3210 -1.3210 1.5388 1.5388 2.3820 2.3820 k = 0.1312-0.6763 0.2711 ( 11562 PWs) bands (ev): -23.9477 -23.9477 -23.8054 -23.8054 -21.2783 -21.2783 -21.0835 -21.0835 -15.6556 -15.6556 -9.8295 -9.8295 -9.5694 -9.5694 -7.6650 -7.6650 -5.8343 -5.8343 -5.2219 -5.2219 -5.0682 -5.0682 -1.5163 -1.5163 -1.3905 -1.3905 1.5692 1.5692 2.2988 2.2988 k = 0.1265-0.6522 0.2711 ( 11562 PWs) bands (ev): -23.9571 -23.9571 -23.8152 -23.8152 -21.2802 -21.2802 -21.0854 -21.0854 -15.6934 -15.6934 -9.8248 -9.8248 -9.5647 -9.5647 -7.6252 -7.6252 -5.9012 -5.9012 -5.1582 -5.1582 -5.0048 -5.0048 -1.5854 -1.5854 -1.4597 -1.4597 1.5693 1.5693 2.2182 2.2182 k = 0.1218-0.6280 0.2711 ( 11556 PWs) bands (ev): -23.9665 -23.9665 -23.8250 -23.8250 -21.2820 -21.2820 -21.0874 -21.0874 -15.7310 -15.7310 -9.8202 -9.8202 -9.5599 -9.5599 -7.5869 -7.5869 -5.9642 -5.9642 -5.0932 -5.0932 -4.9402 -4.9402 -1.6541 -1.6541 -1.5284 -1.5284 1.5480 1.5480 2.1403 2.1403 k = 0.1171-0.6039 0.2711 ( 11562 PWs) bands (ev): -23.9759 -23.9759 -23.8348 -23.8348 -21.2839 -21.2839 -21.0893 -21.0893 -15.7681 -15.7681 -9.8156 -9.8156 -9.5552 -9.5552 -7.5502 -7.5502 -6.0232 -6.0232 -5.0271 -5.0271 -4.8745 -4.8745 -1.7223 -1.7223 -1.5967 -1.5967 1.5131 1.5131 2.0650 2.0650 k = 0.1125-0.5797 0.2711 ( 11560 PWs) bands (ev): -23.9852 -23.9852 -23.8444 -23.8444 -21.2858 -21.2858 -21.0912 -21.0912 -15.8046 -15.8046 -9.8110 -9.8110 -9.5505 -9.5505 -7.5156 -7.5156 -6.0780 -6.0780 -4.9600 -4.9600 -4.8079 -4.8079 -1.7900 -1.7900 -1.6644 -1.6644 1.4699 1.4699 1.9925 1.9925 k = 0.1078-0.5556 0.2711 ( 11552 PWs) bands (ev): -23.9943 -23.9943 -23.8539 -23.8539 -21.2876 -21.2876 -21.0931 -21.0931 -15.8404 -15.8404 -9.8064 -9.8064 -9.5458 -9.5458 -7.4834 -7.4834 -6.1283 -6.1283 -4.8920 -4.8920 -4.7404 -4.7404 -1.8571 -1.8571 -1.7315 -1.7315 1.4221 1.4221 1.9226 1.9226 k = 0.1031-0.5314 0.2711 ( 11546 PWs) bands (ev): -24.0032 -24.0032 -23.8632 -23.8632 -21.2894 -21.2894 -21.0950 -21.0950 -15.8755 -15.8755 -9.8019 -9.8019 -9.5411 -9.5411 -7.4538 -7.4538 -6.1741 -6.1741 -4.8233 -4.8233 -4.6721 -4.6721 -1.9236 -1.9236 -1.7981 -1.7981 1.3720 1.3720 1.8556 1.8556 k = 0.0984-0.5073 0.2711 ( 11546 PWs) bands (ev): -24.0121 -24.0121 -23.8724 -23.8724 -21.2913 -21.2913 -21.0968 -21.0968 -15.9096 -15.9096 -9.7975 -9.7975 -9.5366 -9.5366 -7.4272 -7.4272 -6.2152 -6.2152 -4.7539 -4.7539 -4.6033 -4.6033 -1.9896 -1.9896 -1.8641 -1.8641 1.3211 1.3211 1.7914 1.7914 k = 0.0937-0.4831 0.2711 ( 11534 PWs) bands (ev): -24.0206 -24.0206 -23.8813 -23.8813 -21.2930 -21.2930 -21.0986 -21.0986 -15.9428 -15.9428 -9.7931 -9.7931 -9.5321 -9.5321 -7.4037 -7.4037 -6.2514 -6.2514 -4.6839 -4.6839 -4.5340 -4.5340 -2.0550 -2.0550 -1.9295 -1.9295 1.2704 1.2704 1.7299 1.7299 k = 0.0890-0.4590 0.2711 ( 11534 PWs) bands (ev): -24.0290 -24.0290 -23.8900 -23.8900 -21.2947 -21.2947 -21.1004 -21.1004 -15.9749 -15.9749 -9.7889 -9.7889 -9.5278 -9.5278 -7.3837 -7.3837 -6.2826 -6.2826 -4.6136 -4.6136 -4.4643 -4.4643 -2.1198 -2.1198 -1.9943 -1.9943 1.2207 1.2207 1.6714 1.6714 k = 0.0843-0.4348 0.2711 ( 11542 PWs) bands (ev): -24.0373 -24.0373 -23.8986 -23.8986 -21.2964 -21.2964 -21.1021 -21.1021 -16.0059 -16.0059 -9.7848 -9.7848 -9.5236 -9.5236 -7.3673 -7.3673 -6.3089 -6.3089 -4.5429 -4.5429 -4.3944 -4.3944 -2.1840 -2.1840 -2.0585 -2.0585 1.1723 1.1723 1.6156 1.6156 k = 0.0797-0.4106 0.2711 ( 11544 PWs) bands (ev): -24.0452 -24.0452 -23.9068 -23.9068 -21.2981 -21.2981 -21.1038 -21.1038 -16.0356 -16.0356 -9.7808 -9.7808 -9.5195 -9.5195 -7.3544 -7.3544 -6.3304 -6.3304 -4.4720 -4.4720 -4.3243 -4.3243 -2.2477 -2.2477 -2.1222 -2.1222 1.1256 1.1256 1.5628 1.5628 k = 0.0750-0.3865 0.2711 ( 11542 PWs) bands (ev): -24.0528 -24.0528 -23.9147 -23.9147 -21.2996 -21.2996 -21.1054 -21.1054 -16.0641 -16.0641 -9.7770 -9.7770 -9.5155 -9.5155 -7.3450 -7.3450 -6.3472 -6.3472 -4.4011 -4.4011 -4.2542 -4.2542 -2.3109 -2.3109 -2.1853 -2.1853 1.0810 1.0810 1.5128 1.5128 k = 0.0703-0.3623 0.2711 ( 11530 PWs) bands (ev): -24.0601 -24.0601 -23.9222 -23.9222 -21.3011 -21.3011 -21.1069 -21.1069 -16.0911 -16.0911 -9.7733 -9.7733 -9.5118 -9.5118 -7.3390 -7.3390 -6.3596 -6.3596 -4.3301 -4.3301 -4.1841 -4.1841 -2.3737 -2.3737 -2.2479 -2.2479 1.0386 1.0386 1.4658 1.4658 k = 0.0656-0.3382 0.2711 ( 11518 PWs) bands (ev): -24.0669 -24.0669 -23.9293 -23.9293 -21.3024 -21.3024 -21.1083 -21.1083 -16.1167 -16.1167 -9.7698 -9.7698 -9.5082 -9.5082 -7.3359 -7.3359 -6.3680 -6.3680 -4.2593 -4.2593 -4.1142 -4.1142 -2.4361 -2.4361 -2.3101 -2.3101 0.9984 0.9984 1.4217 1.4217 k = 0.0609-0.3140 0.2711 ( 11516 PWs) bands (ev): -24.0734 -24.0734 -23.9361 -23.9361 -21.3038 -21.3038 -21.1097 -21.1097 -16.1408 -16.1408 -9.7665 -9.7665 -9.5047 -9.5047 -7.3355 -7.3355 -6.3730 -6.3730 -4.1886 -4.1886 -4.0445 -4.0445 -2.4981 -2.4981 -2.3719 -2.3719 0.9608 0.9608 1.3805 1.3805 k = 0.0562-0.2899 0.2711 ( 11512 PWs) bands (ev): -24.0795 -24.0795 -23.9424 -23.9424 -21.3050 -21.3050 -21.1109 -21.1109 -16.1633 -16.1633 -9.7633 -9.7633 -9.5015 -9.5015 -7.3373 -7.3373 -6.3750 -6.3750 -4.1182 -4.1182 -3.9751 -3.9751 -2.5598 -2.5598 -2.4333 -2.4333 0.9257 0.9257 1.3424 1.3424 k = 0.0515-0.2657 0.2711 ( 11488 PWs) bands (ev): -24.0851 -24.0851 -23.9482 -23.9482 -21.3061 -21.3061 -21.1121 -21.1121 -16.1843 -16.1843 -9.7604 -9.7604 -9.4985 -9.4985 -7.3408 -7.3408 -6.3746 -6.3746 -4.0482 -4.0482 -3.9061 -3.9061 -2.6213 -2.6213 -2.4944 -2.4944 0.8932 0.8932 1.3071 1.3071 k = 0.0469-0.2416 0.2711 ( 11482 PWs) bands (ev): -24.0903 -24.0903 -23.9536 -23.9536 -21.3072 -21.3072 -21.1132 -21.1132 -16.2035 -16.2035 -9.7577 -9.7577 -9.4958 -9.4958 -7.3456 -7.3456 -6.3724 -6.3724 -3.9785 -3.9785 -3.8376 -3.8376 -2.6826 -2.6826 -2.5553 -2.5553 0.8634 0.8634 1.2749 1.2749 k = 0.0422-0.2174 0.2711 ( 11480 PWs) bands (ev): -24.0951 -24.0951 -23.9586 -23.9586 -21.3082 -21.3082 -21.1142 -21.1142 -16.2211 -16.2211 -9.7553 -9.7553 -9.4932 -9.4932 -7.3512 -7.3512 -6.3689 -6.3689 -3.9094 -3.9094 -3.7697 -3.7697 -2.7437 -2.7437 -2.6159 -2.6159 0.8363 0.8363 1.2457 1.2457 k = 0.0375-0.1932 0.2711 ( 11482 PWs) bands (ev): -24.0994 -24.0994 -23.9631 -23.9631 -21.3092 -21.3092 -21.1152 -21.1152 -16.2369 -16.2369 -9.7530 -9.7530 -9.4909 -9.4909 -7.3573 -7.3573 -6.3645 -6.3645 -3.8409 -3.8409 -3.7024 -3.7024 -2.8048 -2.8048 -2.6763 -2.6763 0.8120 0.8120 1.2196 1.2196 k = 0.0328-0.1691 0.2711 ( 11484 PWs) bands (ev): -24.1033 -24.1033 -23.9671 -23.9671 -21.3100 -21.3100 -21.1160 -21.1160 -16.2509 -16.2509 -9.7510 -9.7510 -9.4889 -9.4889 -7.3634 -7.3634 -6.3597 -6.3597 -3.7729 -3.7729 -3.6358 -3.6358 -2.8659 -2.8659 -2.7366 -2.7366 0.7905 0.7905 1.1964 1.1964 k = 0.0281-0.1449 0.2711 ( 11482 PWs) bands (ev): -24.1067 -24.1067 -23.9707 -23.9707 -21.3107 -21.3107 -21.1167 -21.1167 -16.2631 -16.2631 -9.7493 -9.7493 -9.4871 -9.4871 -7.3693 -7.3693 -6.3548 -6.3548 -3.7057 -3.7057 -3.5700 -3.5700 -2.9270 -2.9270 -2.7967 -2.7967 0.7718 0.7718 1.1764 1.1764 k = 0.0234-0.1208 0.2711 ( 11482 PWs) bands (ev): -24.1097 -24.1097 -23.9738 -23.9738 -21.3113 -21.3113 -21.1173 -21.1173 -16.2735 -16.2735 -9.7478 -9.7478 -9.4856 -9.4856 -7.3747 -7.3747 -6.3502 -6.3502 -3.6393 -3.6393 -3.5052 -3.5052 -2.9880 -2.9880 -2.8566 -2.8566 0.7559 0.7559 1.1594 1.1594 k = 0.0187-0.0966 0.2711 ( 11482 PWs) bands (ev): -24.1121 -24.1121 -23.9763 -23.9763 -21.3117 -21.3117 -21.1178 -21.1178 -16.2821 -16.2821 -9.7466 -9.7466 -9.4843 -9.4843 -7.3794 -7.3794 -6.3461 -6.3461 -3.5739 -3.5739 -3.4416 -3.4416 -3.0489 -3.0489 -2.9160 -2.9160 0.7429 0.7429 1.1454 1.1454 k = 0.0141-0.0725 0.2711 ( 11486 PWs) bands (ev): -24.1139 -24.1139 -23.9782 -23.9782 -21.3121 -21.3121 -21.1182 -21.1182 -16.2887 -16.2887 -9.7456 -9.7456 -9.4834 -9.4834 -7.3832 -7.3832 -6.3427 -6.3427 -3.5098 -3.5098 -3.3799 -3.3799 -3.1094 -3.1094 -2.9745 -2.9745 0.7328 0.7328 1.1346 1.1346 k = 0.0094-0.0483 0.2711 ( 11482 PWs) bands (ev): -24.1153 -24.1153 -23.9796 -23.9796 -21.3124 -21.3124 -21.1185 -21.1185 -16.2935 -16.2935 -9.7450 -9.7450 -9.4827 -9.4827 -7.3860 -7.3860 -6.3401 -6.3401 -3.4481 -3.4481 -3.3214 -3.3214 -3.1684 -3.1684 -3.0306 -3.0306 0.7256 0.7256 1.1269 1.1269 k = 0.0047-0.0242 0.2711 ( 11484 PWs) bands (ev): -24.1162 -24.1162 -23.9805 -23.9805 -21.3125 -21.3125 -21.1186 -21.1186 -16.2963 -16.2963 -9.7446 -9.7446 -9.4822 -9.4822 -7.3878 -7.3878 -6.3385 -6.3385 -3.3926 -3.3926 -3.2716 -3.2716 -3.2219 -3.2219 -3.0795 -3.0795 0.7212 0.7212 1.1222 1.1222 k = 0.0000 0.0000 0.2711 ( 11474 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3633 -3.3633 -3.2554 -3.2554 -3.2429 -3.2429 -3.1029 -3.1029 0.7198 0.7198 1.1207 1.1207 k = 0.0000 0.0000 0.2711 ( 11474 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3633 -3.3633 -3.2554 -3.2554 -3.2429 -3.2429 -3.1029 -3.1029 0.7198 0.7198 1.1207 1.1207 k = 0.0233 0.0045 0.2711 ( 11484 PWs) bands (ev): -24.1164 -24.1164 -23.9808 -23.9808 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3634 -3.3634 -3.2554 -3.2554 -3.2433 -3.2433 -3.1029 -3.1029 0.7225 0.7225 1.1214 1.1214 k = 0.0466 0.0090 0.2711 ( 11489 PWs) bands (ev): -24.1164 -24.1164 -23.9808 -23.9808 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3882 -7.3882 -6.3380 -6.3380 -3.3637 -3.3637 -3.2554 -3.2554 -3.2445 -3.2445 -3.1030 -3.1030 0.7308 0.7308 1.1237 1.1237 k = 0.0699 0.0136 0.2711 ( 11485 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3880 -7.3880 -6.3380 -6.3380 -3.3643 -3.3643 -3.2554 -3.2554 -3.2464 -3.2464 -3.1030 -3.1030 0.7446 0.7446 1.1275 1.1275 k = 0.0932 0.0181 0.2711 ( 11488 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3877 -7.3877 -6.3380 -6.3380 -3.3651 -3.3651 -3.2554 -3.2554 -3.2490 -3.2490 -3.1030 -3.1030 0.7636 0.7636 1.1327 1.1327 k = 0.1165 0.0226 0.2711 ( 11490 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3874 -7.3874 -6.3380 -6.3380 -3.3663 -3.3663 -3.2554 -3.2554 -3.2521 -3.2521 -3.1030 -3.1030 0.7876 0.7876 1.1392 1.1392 k = 0.1398 0.0271 0.2711 ( 11506 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3869 -7.3869 -6.3380 -6.3380 -3.3677 -3.3677 -3.2558 -3.2558 -3.2553 -3.2553 -3.1030 -3.1030 0.8164 0.8164 1.1469 1.1469 k = 0.1631 0.0316 0.2711 ( 11508 PWs) bands (ev): -24.1164 -24.1164 -23.9808 -23.9808 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3865 -7.3865 -6.3380 -6.3380 -3.3696 -3.3696 -3.2594 -3.2594 -3.2554 -3.2554 -3.1030 -3.1030 0.8496 0.8496 1.1557 1.1557 k = 0.1864 0.0362 0.2711 ( 11520 PWs) bands (ev): -24.1165 -24.1165 -23.9808 -23.9808 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3860 -7.3860 -6.3380 -6.3380 -3.3718 -3.3718 -3.2632 -3.2632 -3.2554 -3.2554 -3.1030 -3.1030 0.8869 0.8869 1.1653 1.1653 k = 0.2097 0.0407 0.2711 ( 11511 PWs) bands (ev): -24.1164 -24.1164 -23.9808 -23.9808 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3854 -7.3854 -6.3380 -6.3380 -3.3744 -3.3744 -3.2670 -3.2670 -3.2554 -3.2554 -3.1030 -3.1030 0.9278 0.9278 1.1754 1.1754 k = 0.2330 0.0452 0.2711 ( 11512 PWs) bands (ev): -24.1164 -24.1164 -23.9808 -23.9808 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3849 -7.3849 -6.3380 -6.3380 -3.3775 -3.3775 -3.2705 -3.2705 -3.2554 -3.2554 -3.1030 -3.1030 0.9719 0.9719 1.1859 1.1859 k = 0.2563 0.0497 0.2711 ( 11511 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3843 -7.3843 -6.3380 -6.3380 -3.3809 -3.3809 -3.2738 -3.2738 -3.2554 -3.2554 -3.1030 -3.1030 1.0187 1.0187 1.1965 1.1965 k = 0.2796 0.0542 0.2711 ( 11508 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3837 -7.3837 -6.3380 -6.3380 -3.3845 -3.3845 -3.2767 -3.2767 -3.2554 -3.2554 -3.1029 -3.1029 1.0677 1.0677 1.2068 1.2068 k = 0.3030 0.0588 0.2711 ( 11513 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3832 -7.3832 -6.3380 -6.3380 -3.3884 -3.3884 -3.2791 -3.2791 -3.2554 -3.2554 -3.1029 -3.1029 1.1184 1.1184 1.2167 1.2167 k = 0.3263 0.0633 0.2711 ( 11524 PWs) bands (ev): -24.1163 -24.1163 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3826 -7.3826 -6.3380 -6.3380 -3.3923 -3.3923 -3.2812 -3.2812 -3.2554 -3.2554 -3.1030 -3.1030 1.1700 1.1700 1.2258 1.2258 k = 0.3496 0.0678 0.2711 ( 11534 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3821 -7.3821 -6.3380 -6.3380 -3.3961 -3.3961 -3.2828 -3.2828 -3.2554 -3.2554 -3.1030 -3.1030 1.2217 1.2217 1.2345 1.2345 k = 0.3729 0.0723 0.2711 ( 11538 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3817 -7.3817 -6.3380 -6.3380 -3.3996 -3.3996 -3.2842 -3.2842 -3.2554 -3.2554 -3.1030 -3.1030 1.2411 1.2411 1.2744 1.2744 k = 0.3962 0.0768 0.2711 ( 11530 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3813 -7.3813 -6.3380 -6.3380 -3.4028 -3.4028 -3.2852 -3.2852 -3.2554 -3.2554 -3.1029 -3.1029 1.2479 1.2479 1.3246 1.3246 k = 0.4195 0.0814 0.2711 ( 11533 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3810 -7.3810 -6.3380 -6.3380 -3.4055 -3.4055 -3.2860 -3.2860 -3.2554 -3.2554 -3.1030 -3.1030 1.2541 1.2541 1.3709 1.3709 k = 0.4428 0.0859 0.2711 ( 11537 PWs) bands (ev): -24.1164 -24.1164 -23.9807 -23.9807 -21.3129 -21.3129 -21.1190 -21.1190 -16.2974 -16.2974 -9.7444 -9.7444 -9.4821 -9.4821 -7.3808 -7.3808 -6.3380 -6.3380 -3.4076 -3.4076 -3.2865 -3.2865 -3.2554 -3.2554 -3.1030 -3.1030 1.2600 1.2600 1.4079 1.4079 k = 0.4661 0.0904 0.2711 ( 11528 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3128 -21.3128 -21.1189 -21.1189 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3806 -7.3806 -6.3380 -6.3380 -3.4090 -3.4090 -3.2868 -3.2868 -3.2554 -3.2554 -3.1030 -3.1030 1.2659 1.2659 1.4232 1.4232 k = 0.5000 0.0970-0.1078 ( 11506 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3127 -21.3127 -21.1188 -21.1188 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3805 -7.3805 -6.3380 -6.3380 -3.4098 -3.4098 -3.2870 -3.2870 -3.2554 -3.2554 -3.1030 -3.1030 1.2748 1.2748 1.4085 1.4085 k = 0.5047 0.0727-0.1078 ( 11516 PWs) bands (ev): -24.1161 -24.1161 -23.9804 -23.9804 -21.3127 -21.3127 -21.1188 -21.1188 -16.2964 -16.2964 -9.7446 -9.7446 -9.4823 -9.4823 -7.3799 -7.3799 -6.3385 -6.3385 -3.4318 -3.4318 -3.3089 -3.3089 -3.2308 -3.2308 -3.0848 -3.0848 1.2763 1.2763 1.4099 1.4099 k = 0.5094 0.0484-0.1078 ( 11506 PWs) bands (ev): -24.1153 -24.1153 -23.9796 -23.9796 -21.3125 -21.3125 -21.1186 -21.1186 -16.2935 -16.2935 -9.7450 -9.7450 -9.4827 -9.4827 -7.3782 -7.3782 -6.3401 -6.3401 -3.4799 -3.4799 -3.3538 -3.3538 -3.1830 -3.1830 -3.0429 -3.0429 1.2808 1.2808 1.4144 1.4144 k = 0.5141 0.0242-0.1078 ( 11520 PWs) bands (ev): -24.1140 -24.1140 -23.9783 -23.9783 -21.3123 -21.3123 -21.1184 -21.1184 -16.2887 -16.2887 -9.7457 -9.7457 -9.4834 -9.4834 -7.3755 -7.3755 -6.3426 -6.3426 -3.5372 -3.5372 -3.4082 -3.4082 -3.1281 -3.1281 -2.9914 -2.9914 1.2884 1.2884 1.4217 1.4217 k = 0.5188-0.0001-0.1078 ( 11520 PWs) bands (ev): -24.1121 -24.1121 -23.9762 -23.9762 -21.3119 -21.3119 -21.1180 -21.1180 -16.2819 -16.2819 -9.7466 -9.7466 -9.4844 -9.4844 -7.3717 -7.3717 -6.3459 -6.3459 -3.5984 -3.5984 -3.4671 -3.4671 -3.0706 -3.0706 -2.9363 -2.9363 1.2989 1.2989 1.4320 1.4320 k = 0.5235-0.0244-0.1078 ( 11518 PWs) bands (ev): -24.1097 -24.1097 -23.9738 -23.9738 -21.3114 -21.3114 -21.1174 -21.1174 -16.2733 -16.2733 -9.7479 -9.7479 -9.4856 -9.4856 -7.3671 -7.3671 -6.3499 -6.3499 -3.6616 -3.6616 -3.5285 -3.5285 -3.0121 -3.0121 -2.8794 -2.8794 1.3125 1.3125 1.4452 1.4452 k = 0.5283-0.0487-0.1078 ( 11514 PWs) bands (ev): -24.1067 -24.1067 -23.9707 -23.9707 -21.3108 -21.3108 -21.1168 -21.1168 -16.2628 -16.2628 -9.7494 -9.7494 -9.4872 -9.4872 -7.3618 -7.3618 -6.3544 -6.3544 -3.7264 -3.7264 -3.5915 -3.5915 -2.9531 -2.9531 -2.8217 -2.8217 1.3291 1.3291 1.4614 1.4614 k = 0.5330-0.0730-0.1078 ( 11532 PWs) bands (ev): -24.1034 -24.1034 -23.9672 -23.9672 -21.3101 -21.3101 -21.1161 -21.1161 -16.2505 -16.2505 -9.7511 -9.7511 -9.4890 -9.4890 -7.3560 -7.3560 -6.3591 -6.3591 -3.7922 -3.7922 -3.6558 -3.6558 -2.8939 -2.8939 -2.7635 -2.7635 1.3486 1.3486 1.4804 1.4804 k = 0.5377-0.0972-0.1078 ( 11524 PWs) bands (ev): -24.0995 -24.0995 -23.9632 -23.9632 -21.3092 -21.3092 -21.1153 -21.1153 -16.2363 -16.2363 -9.7531 -9.7531 -9.4910 -9.4910 -7.3501 -7.3501 -6.3637 -6.3637 -3.8589 -3.8589 -3.7211 -3.7211 -2.8346 -2.8346 -2.7050 -2.7050 1.3712 1.3712 1.5023 1.5023 k = 0.5424-0.1215-0.1078 ( 11522 PWs) bands (ev): -24.0951 -24.0951 -23.9586 -23.9586 -21.3083 -21.3083 -21.1143 -21.1143 -16.2203 -16.2203 -9.7554 -9.7554 -9.4934 -9.4934 -7.3442 -7.3442 -6.3678 -6.3678 -3.9265 -3.9265 -3.7874 -3.7874 -2.7751 -2.7751 -2.6461 -2.6461 1.3968 1.3968 1.5271 1.5271 k = 0.5471-0.1458-0.1078 ( 11538 PWs) bands (ev): -24.0903 -24.0903 -23.9536 -23.9536 -21.3074 -21.3074 -21.1133 -21.1133 -16.2026 -16.2026 -9.7579 -9.7579 -9.4959 -9.4959 -7.3389 -7.3389 -6.3710 -6.3710 -3.9947 -3.9947 -3.8543 -3.8543 -2.7154 -2.7154 -2.5870 -2.5870 1.4254 1.4254 1.5548 1.5548 k = 0.5518-0.1701-0.1078 ( 11540 PWs) bands (ev): -24.0850 -24.0850 -23.9481 -23.9481 -21.3062 -21.3062 -21.1122 -21.1122 -16.1832 -16.1832 -9.7606 -9.7606 -9.4987 -9.4987 -7.3344 -7.3344 -6.3728 -6.3728 -4.0636 -4.0636 -3.9220 -3.9220 -2.6555 -2.6555 -2.5275 -2.5275 1.4569 1.4569 1.5852 1.5852 k = 0.5565-0.1943-0.1078 ( 11538 PWs) bands (ev): -24.0793 -24.0793 -23.9422 -23.9422 -21.3050 -21.3050 -21.1109 -21.1109 -16.1620 -16.1620 -9.7636 -9.7636 -9.5017 -9.5017 -7.3314 -7.3314 -6.3727 -6.3727 -4.1330 -4.1330 -3.9903 -3.9903 -2.5953 -2.5953 -2.4676 -2.4676 1.4914 1.4914 1.6184 1.6184 k = 0.5612-0.2186-0.1078 ( 11552 PWs) bands (ev): -24.0732 -24.0732 -23.9358 -23.9358 -21.3038 -21.3038 -21.1096 -21.1096 -16.1393 -16.1393 -9.7667 -9.7667 -9.5050 -9.5050 -7.3301 -7.3301 -6.3701 -6.3701 -4.2028 -4.2028 -4.0590 -4.0590 -2.5348 -2.5348 -2.4073 -2.4073 1.5289 1.5289 1.6543 1.6543 k = 0.5659-0.2429-0.1078 ( 11552 PWs) bands (ev): -24.0665 -24.0665 -23.9289 -23.9289 -21.3024 -21.3024 -21.1083 -21.1083 -16.1150 -16.1150 -9.7701 -9.7701 -9.5084 -9.5084 -7.3311 -7.3311 -6.3644 -6.3644 -4.2729 -4.2729 -4.1282 -4.1282 -2.4739 -2.4739 -2.3466 -2.3466 1.5693 1.5693 1.6929 1.6929 k = 0.5706-0.2672-0.1078 ( 11558 PWs) bands (ev): -24.0596 -24.0596 -23.9217 -23.9217 -21.3010 -21.3010 -21.1068 -21.1068 -16.0891 -16.0891 -9.7736 -9.7736 -9.5121 -9.5121 -7.3348 -7.3348 -6.3551 -6.3551 -4.3434 -4.3434 -4.1976 -4.1976 -2.4125 -2.4125 -2.2853 -2.2853 1.6126 1.6126 1.7340 1.7340 k = 0.5753-0.2914-0.1078 ( 11556 PWs) bands (ev): -24.0522 -24.0522 -23.9141 -23.9141 -21.2995 -21.2995 -21.1053 -21.1053 -16.0618 -16.0618 -9.7773 -9.7773 -9.5159 -9.5159 -7.3416 -7.3416 -6.3419 -6.3419 -4.4140 -4.4140 -4.2673 -4.2673 -2.3506 -2.3506 -2.2235 -2.2235 1.6588 1.6588 1.7776 1.7776 k = 0.5801-0.3157-0.1078 ( 11556 PWs) bands (ev): -24.0445 -24.0445 -23.9061 -23.9061 -21.2980 -21.2980 -21.1037 -21.1037 -16.0332 -16.0332 -9.7812 -9.7812 -9.5198 -9.5198 -7.3518 -7.3518 -6.3241 -6.3241 -4.4846 -4.4846 -4.3371 -4.3371 -2.2882 -2.2882 -2.1611 -2.1611 1.7077 1.7077 1.8235 1.8235 k = 0.5848-0.3400-0.1078 ( 11550 PWs) bands (ev): -24.0365 -24.0365 -23.8978 -23.8978 -21.2963 -21.2963 -21.1020 -21.1020 -16.0032 -16.0032 -9.7852 -9.7852 -9.5240 -9.5240 -7.3655 -7.3655 -6.3017 -6.3017 -4.5552 -4.5552 -4.4069 -4.4069 -2.2252 -2.2252 -2.0980 -2.0980 1.7594 1.7594 1.8714 1.8714 k = 0.5895-0.3643-0.1078 ( 11558 PWs) bands (ev): -24.0283 -24.0283 -23.8893 -23.8893 -21.2947 -21.2947 -21.1003 -21.1003 -15.9719 -15.9719 -9.7893 -9.7893 -9.5282 -9.5282 -7.3828 -7.3828 -6.2743 -6.2743 -4.6257 -4.6257 -4.4766 -4.4766 -2.1615 -2.1615 -2.0343 -2.0343 1.8135 1.8135 1.9213 1.9213 k = 0.5942-0.3886-0.1078 ( 11570 PWs) bands (ev): -24.0199 -24.0199 -23.8805 -23.8805 -21.2930 -21.2930 -21.0986 -21.0986 -15.9396 -15.9396 -9.7936 -9.7936 -9.5326 -9.5326 -7.4036 -7.4036 -6.2420 -6.2420 -4.6959 -4.6959 -4.5461 -4.5461 -2.0972 -2.0972 -1.9699 -1.9699 1.8697 1.8697 1.9726 1.9726 k = 0.5989-0.4128-0.1078 ( 11564 PWs) bands (ev): -24.0112 -24.0112 -23.8714 -23.8714 -21.2912 -21.2912 -21.0967 -21.0967 -15.9061 -15.9061 -9.7980 -9.7980 -9.5371 -9.5371 -7.4278 -7.4278 -6.2048 -6.2048 -4.7656 -4.7656 -4.6152 -4.6152 -2.0321 -2.0321 -1.9048 -1.9048 1.9275 1.9275 2.0251 2.0251 k = 0.6036-0.4371-0.1078 ( 11562 PWs) bands (ev): -24.0022 -24.0022 -23.8621 -23.8621 -21.2893 -21.2893 -21.0949 -21.0949 -15.8717 -15.8717 -9.8024 -9.8024 -9.5417 -9.5417 -7.4552 -7.4552 -6.1627 -6.1627 -4.8349 -4.8349 -4.6839 -4.6839 -1.9664 -1.9664 -1.8390 -1.8390 1.9853 1.9853 2.0785 2.0785 k = 0.6083-0.4614-0.1078 ( 11572 PWs) bands (ev): -23.9931 -23.9931 -23.8527 -23.8527 -21.2875 -21.2875 -21.0930 -21.0930 -15.8363 -15.8363 -9.8070 -9.8070 -9.5463 -9.5463 -7.4855 -7.4855 -6.1158 -6.1158 -4.9036 -4.9036 -4.7520 -4.7520 -1.8999 -1.8999 -1.7725 -1.7725 2.0400 2.0400 2.1332 2.1332 k = 0.6130-0.4857-0.1078 ( 11588 PWs) bands (ev): -23.9840 -23.9840 -23.8432 -23.8432 -21.2857 -21.2857 -21.0912 -21.0912 -15.8003 -15.8003 -9.8115 -9.8115 -9.5510 -9.5510 -7.5185 -7.5185 -6.0644 -6.0644 -4.9714 -4.9714 -4.8193 -4.8193 -1.8328 -1.8328 -1.7053 -1.7053 2.0850 2.0850 2.1908 2.1908 k = 0.6177-0.5099-0.1078 ( 11574 PWs) bands (ev): -23.9745 -23.9745 -23.8334 -23.8334 -21.2838 -21.2838 -21.0892 -21.0892 -15.7635 -15.7635 -9.8162 -9.8162 -9.5558 -9.5558 -7.5537 -7.5537 -6.0087 -6.0087 -5.0385 -5.0385 -4.8859 -4.8859 -1.7649 -1.7649 -1.6374 -1.6374 2.1096 2.1096 2.2540 2.2540 k = 0.6224-0.5342-0.1078 ( 11578 PWs) bands (ev): -23.9652 -23.9652 -23.8236 -23.8236 -21.2819 -21.2819 -21.0872 -21.0872 -15.7261 -15.7261 -9.8208 -9.8208 -9.5606 -9.5606 -7.5910 -7.5910 -5.9487 -5.9487 -5.1045 -5.1045 -4.9515 -4.9515 -1.6965 -1.6965 -1.5689 -1.5689 2.1009 2.1009 2.3238 2.3238 k = 0.6271-0.5585-0.1078 ( 11574 PWs) bands (ev): -23.9557 -23.9557 -23.8138 -23.8138 -21.2800 -21.2800 -21.0853 -21.0853 -15.6883 -15.6883 -9.8255 -9.8255 -9.5653 -9.5653 -7.6299 -7.6299 -5.8847 -5.8847 -5.1694 -5.1694 -5.0160 -5.0160 -1.6274 -1.6274 -1.4997 -1.4997 2.0485 2.0485 2.3992 2.3992 k = 0.6319-0.5828-0.1078 ( 11576 PWs) bands (ev): -23.9463 -23.9463 -23.8040 -23.8040 -21.2781 -21.2781 -21.0833 -21.0833 -15.6502 -15.6502 -9.8301 -9.8301 -9.5701 -9.5701 -7.6701 -7.6701 -5.8168 -5.8168 -5.2330 -5.2330 -5.0793 -5.0793 -1.5577 -1.5577 -1.4300 -1.4300 1.9511 1.9511 2.4793 2.4793 k = 0.6366-0.6070-0.1078 ( 11576 PWs) bands (ev): -23.9368 -23.9368 -23.7942 -23.7942 -21.2762 -21.2762 -21.0813 -21.0813 -15.6119 -15.6119 -9.8348 -9.8348 -9.5749 -9.5749 -7.7115 -7.7115 -5.7453 -5.7453 -5.2952 -5.2952 -5.1412 -5.1412 -1.4876 -1.4876 -1.3599 -1.3599 1.8178 1.8178 2.5633 2.5633 k = 0.6413-0.6313-0.1078 ( 11572 PWs) bands (ev): -23.9275 -23.9275 -23.7844 -23.7844 -21.2743 -21.2743 -21.0794 -21.0794 -15.5735 -15.5735 -9.8393 -9.8393 -9.5796 -9.5796 -7.7536 -7.7536 -5.6702 -5.6702 -5.3560 -5.3560 -5.2017 -5.2017 -1.4171 -1.4171 -1.2894 -1.2894 1.6606 1.6606 2.6510 2.6510 k = 0.6460-0.6556-0.1078 ( 11568 PWs) bands (ev): -23.9182 -23.9182 -23.7748 -23.7748 -21.2724 -21.2724 -21.0775 -21.0775 -15.5351 -15.5351 -9.8439 -9.8439 -9.5842 -9.5842 -7.7962 -7.7962 -5.5918 -5.5918 -5.4151 -5.4151 -5.2607 -5.2607 -1.3464 -1.3464 -1.2186 -1.2186 1.4886 1.4886 2.7421 2.7421 k = 0.6507-0.6799-0.1078 ( 11558 PWs) bands (ev): -23.9090 -23.9090 -23.7652 -23.7652 -21.2705 -21.2705 -21.0756 -21.0756 -15.4970 -15.4970 -9.8483 -9.8483 -9.5888 -9.5888 -7.8391 -7.8391 -5.5105 -5.5105 -5.4722 -5.4722 -5.3179 -5.3179 -1.2754 -1.2754 -1.1476 -1.1476 1.3078 1.3078 2.8364 2.8364 k = 0.6554-0.7042-0.1078 ( 11556 PWs) bands (ev): -23.8999 -23.8999 -23.7558 -23.7558 -21.2687 -21.2687 -21.0737 -21.0737 -15.4592 -15.4592 -9.8527 -9.8527 -9.5933 -9.5933 -7.8820 -7.8820 -5.5285 -5.5285 -5.4250 -5.4250 -5.3733 -5.3733 -1.2045 -1.2045 -1.0766 -1.0766 1.1219 1.1219 2.9339 2.9339 k = 0.6601-0.7284-0.1078 ( 11560 PWs) bands (ev): -23.8912 -23.8912 -23.7467 -23.7467 -21.2670 -21.2670 -21.0720 -21.0720 -15.4219 -15.4219 -9.8569 -9.8569 -9.5977 -9.5977 -7.9246 -7.9246 -5.5821 -5.5821 -5.4268 -5.4268 -5.3374 -5.3374 -1.1338 -1.1338 -1.0058 -1.0058 0.9336 0.9336 3.0346 3.0346 k = 0.6648-0.7527-0.1078 ( 11562 PWs) bands (ev): -23.8826 -23.8826 -23.7378 -23.7378 -21.2653 -21.2653 -21.0702 -21.0702 -15.3852 -15.3852 -9.8611 -9.8611 -9.6019 -9.6019 -7.9668 -7.9668 -5.6337 -5.6337 -5.4783 -5.4783 -5.2469 -5.2469 -1.0634 -1.0634 -0.9353 -0.9353 0.7443 0.7443 3.1384 3.1384 k = 0.6695-0.7770-0.1078 ( 11562 PWs) bands (ev): -23.8743 -23.8743 -23.7292 -23.7292 -21.2636 -21.2636 -21.0685 -21.0685 -15.3493 -15.3493 -9.8651 -9.8651 -9.6060 -9.6060 -8.0082 -8.0082 -5.6831 -5.6831 -5.5276 -5.5276 -5.1537 -5.1537 -0.9936 -0.9936 -0.8654 -0.8654 0.5555 0.5555 3.2452 3.2452 k = 0.6742-0.8013-0.1078 ( 11564 PWs) bands (ev): -23.8662 -23.8662 -23.7207 -23.7207 -21.2620 -21.2620 -21.0669 -21.0669 -15.3144 -15.3144 -9.8690 -9.8690 -9.6100 -9.6100 -8.0487 -8.0487 -5.7303 -5.7303 -5.5748 -5.5748 -5.0581 -5.0581 -0.9247 -0.9247 -0.7963 -0.7963 0.3679 0.3679 3.3551 3.3551 k = 0.6790-0.8255-0.1078 ( 11562 PWs) bands (ev): -23.8585 -23.8585 -23.7127 -23.7127 -21.2605 -21.2605 -21.0653 -21.0653 -15.2805 -15.2805 -9.8727 -9.8727 -9.6138 -9.6138 -8.0880 -8.0880 -5.7752 -5.7752 -5.6195 -5.6195 -4.9603 -4.9603 -0.8569 -0.8569 -0.7282 -0.7282 0.1825 0.1825 3.4681 3.4681 k = 0.6837-0.8498-0.1078 ( 11568 PWs) bands (ev): -23.8511 -23.8511 -23.7051 -23.7051 -21.2591 -21.2591 -21.0638 -21.0638 -15.2480 -15.2480 -9.8762 -9.8762 -9.6174 -9.6174 -8.1259 -8.1259 -5.8176 -5.8176 -5.6619 -5.6619 -4.8606 -4.8606 -0.7907 -0.7907 -0.6614 -0.6614 -0.0000 -0.0000 3.5841 3.6343 k = 0.6884-0.8741-0.1078 ( 11568 PWs) bands (ev): -23.8441 -23.8441 -23.6978 -23.6978 -21.2577 -21.2577 -21.0624 -21.0624 -15.2168 -15.2168 -9.8796 -9.8796 -9.6209 -9.6209 -8.1623 -8.1623 -5.8575 -5.8575 -5.7017 -5.7017 -4.7591 -4.7591 -0.7267 -0.7267 -0.5963 -0.5963 -0.1788 -0.1788 3.7030 3.7083 k = 0.6931-0.8984-0.1078 ( 11584 PWs) bands (ev): -23.8376 -23.8376 -23.6910 -23.6910 -21.2564 -21.2564 -21.0611 -21.0611 -15.1871 -15.1871 -9.8827 -9.8827 -9.6241 -9.6241 -8.1969 -8.1969 -5.8948 -5.8948 -5.7390 -5.7390 -4.6564 -4.6564 -0.6662 -0.6662 -0.5335 -0.5335 -0.3521 -0.3521 3.7803 3.7803 k = 0.6978-0.9226-0.1078 ( 11602 PWs) bands (ev): -23.8315 -23.8315 -23.6846 -23.6846 -21.2553 -21.2553 -21.0599 -21.0599 -15.1592 -15.1592 -9.8857 -9.8857 -9.6271 -9.6271 -8.2295 -8.2295 -5.9294 -5.9294 -5.7736 -5.7736 -4.5528 -4.5528 -0.6197 -0.6197 -0.5118 -0.5118 -0.4706 -0.4706 3.8449 3.8449 k = 0.7025-0.9469-0.1078 ( 11600 PWs) bands (ev): -23.8257 -23.8257 -23.6786 -23.6786 -21.2541 -21.2541 -21.0588 -21.0588 -15.1331 -15.1331 -9.8884 -9.8884 -9.6299 -9.6299 -8.2599 -8.2599 -5.9613 -5.9613 -5.8054 -5.8054 -4.4490 -4.4490 -0.7070 -0.7070 -0.5316 -0.5316 -0.4142 -0.4142 3.9027 3.9027 k = 0.7072-0.9712-0.1078 ( 11610 PWs) bands (ev): -23.8205 -23.8205 -23.6732 -23.6732 -21.2532 -21.2532 -21.0578 -21.0578 -15.1090 -15.1090 -9.8909 -9.8909 -9.6325 -9.6325 -8.2881 -8.2881 -5.9904 -5.9904 -5.8345 -5.8345 -4.3456 -4.3456 -0.8611 -0.8611 -0.4832 -0.4832 -0.3597 -0.3597 3.9533 3.9533 k = 0.7119-0.9955-0.1078 ( 11602 PWs) bands (ev): -23.8156 -23.8156 -23.6681 -23.6681 -21.2522 -21.2522 -21.0568 -21.0568 -15.0870 -15.0870 -9.8931 -9.8931 -9.6348 -9.6348 -8.3138 -8.3138 -6.0166 -6.0166 -5.8606 -5.8606 -4.2437 -4.2437 -1.0125 -1.0125 -0.4342 -0.4342 -0.3088 -0.3088 3.9966 3.9966 k = 0.7166-1.0198-0.1078 ( 11604 PWs) bands (ev): -23.8114 -23.8114 -23.6637 -23.6637 -21.2514 -21.2514 -21.0560 -21.0560 -15.0673 -15.0673 -9.8951 -9.8951 -9.6369 -9.6369 -8.3368 -8.3368 -6.0398 -6.0398 -5.8839 -5.8839 -4.1444 -4.1444 -1.1564 -1.1564 -0.3885 -0.3885 -0.2621 -0.2621 4.0331 4.0331 k = 0.7213-1.0440-0.1078 ( 11602 PWs) bands (ev): -23.8076 -23.8076 -23.6598 -23.6598 -21.2507 -21.2507 -21.0552 -21.0552 -15.0499 -15.0499 -9.8969 -9.8969 -9.6387 -9.6387 -8.3571 -8.3571 -6.0601 -6.0601 -5.9042 -5.9042 -4.0493 -4.0493 -1.2906 -1.2906 -0.3472 -0.3472 -0.2201 -0.2201 4.0639 4.0639 k = 0.7260-1.0683-0.1078 ( 11598 PWs) bands (ev): -23.8044 -23.8044 -23.6565 -23.6565 -21.2500 -21.2500 -21.0546 -21.0546 -15.0350 -15.0350 -9.8984 -9.8984 -9.6402 -9.6402 -8.3746 -8.3746 -6.0774 -6.0774 -5.9215 -5.9215 -3.9605 -3.9605 -1.4128 -1.4128 -0.3109 -0.3109 -0.1831 -0.1831 4.0904 4.0904 k = 0.7308-1.0926-0.1078 ( 11592 PWs) bands (ev): -23.8017 -23.8017 -23.6537 -23.6537 -21.2495 -21.2495 -21.0540 -21.0540 -15.0226 -15.0226 -9.8997 -9.8997 -9.6415 -9.6415 -8.3890 -8.3890 -6.0916 -6.0916 -5.9357 -5.9357 -3.8805 -3.8805 -1.5203 -1.5203 -0.2800 -0.2800 -0.1518 -0.1518 4.1143 4.1143 k = 0.7355-1.1169-0.1078 ( 11588 PWs) bands (ev): -23.7996 -23.7996 -23.6515 -23.6515 -21.2491 -21.2491 -21.0536 -21.0536 -15.0128 -15.0128 -9.9006 -9.9006 -9.6425 -9.6425 -8.4004 -8.4004 -6.1028 -6.1028 -5.9469 -5.9469 -3.8124 -3.8124 -1.6100 -1.6100 -0.2550 -0.2550 -0.1264 -0.1264 4.1374 4.1374 k = 0.7402-1.1411-0.1078 ( 11600 PWs) bands (ev): -23.7982 -23.7982 -23.6500 -23.6500 -21.2488 -21.2488 -21.0533 -21.0533 -15.0057 -15.0057 -9.9013 -9.9013 -9.6433 -9.6433 -8.4087 -8.4087 -6.1109 -6.1109 -5.9549 -5.9549 -3.7598 -3.7598 -1.6784 -1.6784 -0.2362 -0.2362 -0.1074 -0.1074 4.1614 4.1614 k = 0.2598-1.3395 0.0000 ( 11600 PWs) bands (ev): -23.7982 -23.7982 -23.6500 -23.6500 -21.2488 -21.2488 -21.0533 -21.0533 -15.0057 -15.0057 -9.9013 -9.9013 -9.6433 -9.6433 -8.4087 -8.4087 -6.1109 -6.1109 -5.9549 -5.9549 -3.7598 -3.7598 -1.6784 -1.6784 -0.2362 -0.2362 -0.1074 -0.1074 4.1614 4.1614 k = 0.2552-1.3155 0.0000 ( 11610 PWs) bands (ev): -23.7973 -23.7973 -23.6491 -23.6491 -21.2487 -21.2487 -21.0532 -21.0532 -15.0014 -15.0014 -9.9018 -9.9018 -9.6437 -9.6437 -8.4138 -8.4138 -6.1158 -6.1158 -5.9598 -5.9598 -3.7262 -3.7262 -1.7215 -1.7215 -0.2240 -0.2240 -0.0950 -0.0950 4.1874 4.1874 k = 0.2505-1.2916 0.0000 ( 11590 PWs) bands (ev): -23.7968 -23.7968 -23.6485 -23.6485 -21.2486 -21.2486 -21.0531 -21.0531 -14.9998 -14.9998 -9.9019 -9.9019 -9.6439 -9.6439 -8.4157 -8.4157 -6.1176 -6.1176 -5.9617 -5.9617 -3.7134 -3.7134 -1.7382 -1.7382 -0.2182 -0.2182 -0.0892 -0.0892 4.2170 4.2170 k = 0.2459-1.2677 0.0000 ( 11598 PWs) bands (ev): -23.7971 -23.7971 -23.6489 -23.6489 -21.2486 -21.2486 -21.0531 -21.0531 -15.0008 -15.0008 -9.9018 -9.9018 -9.6438 -9.6438 -8.4145 -8.4145 -6.1164 -6.1164 -5.9605 -5.9605 -3.7223 -3.7223 -1.7272 -1.7272 -0.2190 -0.2190 -0.0900 -0.0900 4.2340 4.2340 k = 0.2413-1.2438 0.0000 ( 11604 PWs) bands (ev): -23.7979 -23.7979 -23.6497 -23.6497 -21.2488 -21.2488 -21.0533 -21.0533 -15.0045 -15.0045 -9.9015 -9.9015 -9.6434 -9.6434 -8.4102 -8.4102 -6.1122 -6.1122 -5.9563 -5.9563 -3.7523 -3.7523 -1.6895 -1.6895 -0.2262 -0.2262 -0.0975 -0.0975 4.2248 4.2248 k = 0.2366-1.2199 0.0000 ( 11614 PWs) bands (ev): -23.7994 -23.7994 -23.6512 -23.6512 -21.2491 -21.2491 -21.0536 -21.0536 -15.0108 -15.0108 -9.9008 -9.9008 -9.6427 -9.6427 -8.4028 -8.4028 -6.1050 -6.1050 -5.9490 -5.9490 -3.8011 -3.8011 -1.6272 -1.6272 -0.2398 -0.2398 -0.1114 -0.1114 4.2163 4.2163 k = 0.2320-1.1960 0.0000 ( 11620 PWs) bands (ev): -23.8013 -23.8013 -23.6533 -23.6533 -21.2495 -21.2495 -21.0540 -21.0540 -15.0198 -15.0198 -9.9000 -9.9000 -9.6418 -9.6418 -8.3924 -8.3924 -6.0947 -6.0947 -5.9388 -5.9388 -3.8655 -3.8655 -1.5435 -1.5435 -0.2596 -0.2596 -0.1315 -0.1315 4.2067 4.2067 k = 0.2273-1.1720 0.0000 ( 11624 PWs) bands (ev): -23.8038 -23.8038 -23.6558 -23.6558 -21.2500 -21.2500 -21.0545 -21.0545 -15.0313 -15.0313 -9.8988 -9.8988 -9.6406 -9.6406 -8.3789 -8.3789 -6.0815 -6.0815 -5.9255 -5.9255 -3.9422 -3.9422 -1.4418 -1.4418 -0.2852 -0.2852 -0.1577 -0.1577 4.1940 4.1940 k = 0.2227-1.1481 0.0000 ( 11616 PWs) bands (ev): -23.8067 -23.8067 -23.6589 -23.6589 -21.2506 -21.2506 -21.0551 -21.0551 -15.0453 -15.0453 -9.8974 -9.8974 -9.6392 -9.6392 -8.3625 -8.3625 -6.0653 -6.0653 -5.9093 -5.9093 -4.0281 -4.0281 -1.3253 -1.3253 -0.3164 -0.3164 -0.1895 -0.1895 4.1263 4.1263 k = 0.2181-1.1242 0.0000 ( 11618 PWs) bands (ev): -23.8103 -23.8103 -23.6626 -23.6626 -21.2512 -21.2512 -21.0558 -21.0558 -15.0617 -15.0617 -9.8957 -9.8957 -9.6375 -9.6375 -8.3434 -8.3434 -6.0461 -6.0461 -5.8902 -5.8902 -4.1207 -4.1207 -1.1966 -1.1966 -0.3527 -0.3527 -0.2265 -0.2265 3.9914 3.9914 k = 0.2134-1.1003 0.0000 ( 11604 PWs) bands (ev): -23.8142 -23.8142 -23.6667 -23.6667 -21.2520 -21.2520 -21.0565 -21.0565 -15.0804 -15.0804 -9.8938 -9.8938 -9.6355 -9.6355 -8.3215 -8.3215 -6.0240 -6.0240 -5.8681 -5.8681 -4.2178 -4.2178 -1.0580 -1.0580 -0.3935 -0.3935 -0.2684 -0.2684 3.8594 3.8594 k = 0.2088-1.0764 0.0000 ( 11602 PWs) bands (ev): -23.8188 -23.8188 -23.6715 -23.6715 -21.2528 -21.2528 -21.0574 -21.0574 -15.1014 -15.1014 -9.8917 -9.8917 -9.6333 -9.6333 -8.2970 -8.2970 -5.9991 -5.9991 -5.8432 -5.8432 -4.3179 -4.3179 -0.9116 -0.9116 -0.4382 -0.4382 -0.3146 -0.3146 3.7303 3.7303 k = 0.2042-1.0524 0.0000 ( 11594 PWs) bands (ev): -23.8238 -23.8238 -23.6767 -23.6767 -21.2538 -21.2538 -21.0584 -21.0584 -15.1244 -15.1244 -9.8893 -9.8893 -9.6309 -9.6309 -8.2701 -8.2701 -5.9714 -5.9714 -5.8155 -5.8155 -4.4196 -4.4196 -0.7599 -0.7599 -0.4850 -0.4850 -0.3647 -0.3647 3.6044 3.6044 k = 0.1995-1.0285 0.0000 ( 11600 PWs) bands (ev): -23.8294 -23.8294 -23.6825 -23.6825 -21.2549 -21.2549 -21.0595 -21.0595 -15.1494 -15.1494 -9.8867 -9.8867 -9.6282 -9.6282 -8.2409 -8.2409 -5.9409 -5.9409 -5.7851 -5.7851 -4.5220 -4.5220 -0.6182 -0.6182 -0.5195 -0.5195 -0.4181 -0.4181 3.4817 3.4817 k = 0.1949-1.0046 0.0000 ( 11600 PWs) bands (ev): -23.8354 -23.8354 -23.6887 -23.6887 -21.2560 -21.2560 -21.0606 -21.0606 -15.1763 -15.1763 -9.8839 -9.8839 -9.6253 -9.6253 -8.2095 -8.2095 -5.9078 -5.9078 -5.7519 -5.7519 -4.6244 -4.6244 -0.6118 -0.6118 -0.4759 -0.4759 -0.4154 -0.4154 3.3625 3.3625 k = 0.1902-0.9807 0.0000 ( 11598 PWs) bands (ev): -23.8417 -23.8417 -23.6953 -23.6953 -21.2572 -21.2572 -21.0619 -21.0619 -15.2048 -15.2048 -9.8808 -9.8808 -9.6222 -9.6222 -8.1762 -8.1762 -5.8720 -5.8720 -5.7162 -5.7162 -4.7262 -4.7262 -0.6652 -0.6652 -0.5346 -0.5346 -0.2518 -0.2518 3.2468 3.2468 k = 0.1856-0.9568 0.0000 ( 11592 PWs) bands (ev): -23.8484 -23.8484 -23.7023 -23.7023 -21.2585 -21.2585 -21.0633 -21.0633 -15.2350 -15.2350 -9.8776 -9.8776 -9.6189 -9.6189 -8.1411 -8.1411 -5.8336 -5.8336 -5.6779 -5.6779 -4.8268 -4.8268 -0.7249 -0.7249 -0.5961 -0.5961 -0.0803 -0.0803 3.1350 3.1350 k = 0.1810-0.9328 0.0000 ( 11572 PWs) bands (ev): -23.8554 -23.8554 -23.7095 -23.7095 -21.2599 -21.2599 -21.0647 -21.0647 -15.2665 -15.2665 -9.8742 -9.8742 -9.6154 -9.6154 -8.1043 -8.1043 -5.7928 -5.7928 -5.6371 -5.6371 -4.9259 -4.9259 -0.7874 -0.7874 -0.6595 -0.6595 0.0947 0.0947 3.0273 3.0273 k = 0.1763-0.9089 0.0000 ( 11570 PWs) bands (ev): -23.8628 -23.8628 -23.7173 -23.7173 -21.2614 -21.2614 -21.0662 -21.0662 -15.2993 -15.2993 -9.8706 -9.8706 -9.6117 -9.6117 -8.0662 -8.0662 -5.7495 -5.7495 -5.5939 -5.5939 -5.0232 -5.0232 -0.8518 -0.8518 -0.7245 -0.7245 0.2718 0.2718 2.9241 2.9241 k = 0.1717-0.8850 0.0000 ( 11570 PWs) bands (ev): -23.8706 -23.8706 -23.7254 -23.7254 -21.2629 -21.2629 -21.0678 -21.0678 -15.3333 -15.3333 -9.8669 -9.8669 -9.6079 -9.6079 -8.0268 -8.0268 -5.7039 -5.7039 -5.5484 -5.5484 -5.1185 -5.1185 -0.9177 -0.9177 -0.7908 -0.7908 0.4499 0.4499 2.8261 2.8261 k = 0.1670-0.8611 0.0000 ( 11570 PWs) bands (ev): -23.8788 -23.8788 -23.7338 -23.7338 -21.2645 -21.2645 -21.0694 -21.0694 -15.3683 -15.3683 -9.8630 -9.8630 -9.6039 -9.6039 -7.9864 -7.9864 -5.6561 -5.6561 -5.5007 -5.5007 -5.2114 -5.2114 -0.9848 -0.9848 -0.8582 -0.8582 0.6273 0.6273 2.7341 2.7341 k = 0.1624-0.8372 0.0000 ( 11568 PWs) bands (ev): -23.8871 -23.8871 -23.7425 -23.7425 -21.2661 -21.2661 -21.0711 -21.0711 -15.4040 -15.4040 -9.8590 -9.8590 -9.5997 -9.5997 -7.9453 -7.9453 -5.6062 -5.6062 -5.4508 -5.4508 -5.3019 -5.3019 -1.0527 -1.0527 -0.9263 -0.9263 0.8022 0.8022 2.6495 2.6495 k = 0.1578-0.8132 0.0000 ( 11572 PWs) bands (ev): -23.8957 -23.8957 -23.7514 -23.7514 -21.2679 -21.2679 -21.0729 -21.0729 -15.4405 -15.4405 -9.8548 -9.8548 -9.5955 -9.5955 -7.9035 -7.9035 -5.5542 -5.5542 -5.3990 -5.3990 -5.3897 -5.3897 -1.1212 -1.1212 -0.9949 -0.9949 0.9719 0.9719 2.5740 2.5740 k = 0.1531-0.7893 0.0000 ( 11570 PWs) bands (ev): -23.9044 -23.9044 -23.7604 -23.7604 -21.2697 -21.2697 -21.0747 -21.0747 -15.4775 -15.4775 -9.8506 -9.8506 -9.5911 -9.5911 -7.8614 -7.8614 -5.5008 -5.5008 -5.4741 -5.4741 -5.3452 -5.3452 -1.1901 -1.1901 -1.0640 -1.0640 1.1320 1.1320 2.5106 2.5106 k = 0.1485-0.7654 0.0000 ( 11576 PWs) bands (ev): -23.9134 -23.9134 -23.7698 -23.7698 -21.2715 -21.2715 -21.0765 -21.0765 -15.5149 -15.5149 -9.8462 -9.8462 -9.5866 -9.5866 -7.8192 -7.8192 -5.5571 -5.5571 -5.4441 -5.4441 -5.2895 -5.2895 -1.2592 -1.2592 -1.1332 -1.1332 1.2764 1.2764 2.4632 2.4632 k = 0.1438-0.7415 0.0000 ( 11566 PWs) bands (ev): -23.9224 -23.9224 -23.7792 -23.7792 -21.2732 -21.2732 -21.0783 -21.0783 -15.5526 -15.5526 -9.8418 -9.8418 -9.5821 -9.5821 -7.7770 -7.7770 -5.6360 -5.6360 -5.3867 -5.3867 -5.2322 -5.2322 -1.3284 -1.3284 -1.2025 -1.2025 1.3964 1.3964 2.4357 2.4357 k = 0.1392-0.7176 0.0000 ( 11574 PWs) bands (ev): -23.9317 -23.9317 -23.7889 -23.7889 -21.2751 -21.2751 -21.0802 -21.0802 -15.5904 -15.5904 -9.8373 -9.8373 -9.5775 -9.5775 -7.7353 -7.7353 -5.7117 -5.7117 -5.3275 -5.3275 -5.1732 -5.1732 -1.3976 -1.3976 -1.2717 -1.2717 1.4827 1.4827 2.4257 2.4257 k = 0.1346-0.6937 0.0000 ( 11564 PWs) bands (ev): -23.9409 -23.9409 -23.7984 -23.7984 -21.2769 -21.2769 -21.0821 -21.0821 -15.6283 -15.6283 -9.8328 -9.8328 -9.5728 -9.5728 -7.6942 -7.6942 -5.7841 -5.7841 -5.2667 -5.2667 -5.1128 -5.1128 -1.4665 -1.4665 -1.3407 -1.3407 1.5301 1.5301 2.4147 2.4147 k = 0.1299-0.6697 0.0000 ( 11560 PWs) bands (ev): -23.9502 -23.9502 -23.8081 -23.8081 -21.2788 -21.2788 -21.0840 -21.0840 -15.6659 -15.6659 -9.8282 -9.8282 -9.5681 -9.5681 -7.6540 -7.6540 -5.8530 -5.8530 -5.2046 -5.2046 -5.0509 -5.0509 -1.5352 -1.5352 -1.4095 -1.4095 1.5418 1.5418 2.3794 2.3794 k = 0.1253-0.6458 0.0000 ( 11560 PWs) bands (ev): -23.9596 -23.9596 -23.8178 -23.8178 -21.2806 -21.2806 -21.0859 -21.0859 -15.7034 -15.7034 -9.8236 -9.8236 -9.5634 -9.5634 -7.6149 -7.6149 -5.9182 -5.9182 -5.1412 -5.1412 -4.9878 -4.9878 -1.6035 -1.6035 -1.4778 -1.4778 1.5267 1.5267 2.3236 2.3236 k = 0.1206-0.6219 0.0000 ( 11554 PWs) bands (ev): -23.9688 -23.9688 -23.8274 -23.8274 -21.2825 -21.2825 -21.0878 -21.0878 -15.7405 -15.7405 -9.8190 -9.8190 -9.5587 -9.5587 -7.5774 -7.5774 -5.9796 -5.9796 -5.0765 -5.0765 -4.9236 -4.9236 -1.6714 -1.6714 -1.5458 -1.5458 1.4942 1.4942 2.2591 2.2591 k = 0.1160-0.5980 0.0000 ( 11550 PWs) bands (ev): -23.9781 -23.9781 -23.8370 -23.8370 -21.2843 -21.2843 -21.0897 -21.0897 -15.7770 -15.7770 -9.8144 -9.8144 -9.5540 -9.5540 -7.5416 -7.5416 -6.0370 -6.0370 -5.0108 -5.0108 -4.8583 -4.8583 -1.7388 -1.7388 -1.6132 -1.6132 1.4514 1.4514 2.1921 2.1921 k = 0.1114-0.5741 0.0000 ( 11544 PWs) bands (ev): -23.9872 -23.9872 -23.8465 -23.8465 -21.2862 -21.2862 -21.0916 -21.0916 -15.8131 -15.8131 -9.8099 -9.8099 -9.5493 -9.5493 -7.5078 -7.5078 -6.0902 -6.0902 -4.9441 -4.9441 -4.7921 -4.7921 -1.8057 -1.8057 -1.6801 -1.6801 1.4028 1.4028 2.1253 2.1253 k = 0.1067-0.5501 0.0000 ( 11550 PWs) bands (ev): -23.9962 -23.9962 -23.8559 -23.8559 -21.2881 -21.2881 -21.0935 -21.0935 -15.8484 -15.8484 -9.8054 -9.8054 -9.5447 -9.5447 -7.4765 -7.4765 -6.1390 -6.1390 -4.8766 -4.8766 -4.7251 -4.7251 -1.8720 -1.8720 -1.7465 -1.7465 1.3512 1.3512 2.0598 2.0598 k = 0.1021-0.5262 0.0000 ( 11542 PWs) bands (ev): -24.0051 -24.0051 -23.8651 -23.8651 -21.2898 -21.2898 -21.0954 -21.0954 -15.8829 -15.8829 -9.8009 -9.8009 -9.5401 -9.5401 -7.4478 -7.4478 -6.1834 -6.1834 -4.8084 -4.8084 -4.6574 -4.6574 -1.9378 -1.9378 -1.8123 -1.8123 1.2985 1.2985 1.9963 1.9963 k = 0.0974-0.5023 0.0000 ( 11540 PWs) bands (ev): -24.0139 -24.0139 -23.8742 -23.8742 -21.2916 -21.2916 -21.0972 -21.0972 -15.9165 -15.9165 -9.7966 -9.7966 -9.5357 -9.5357 -7.4221 -7.4221 -6.2230 -6.2230 -4.7395 -4.7395 -4.5891 -4.5891 -2.0030 -2.0030 -1.8775 -1.8775 1.2458 1.2458 1.9351 1.9351 k = 0.0928-0.4784 0.0000 ( 11540 PWs) bands (ev): -24.0224 -24.0224 -23.8831 -23.8831 -21.2933 -21.2933 -21.0989 -21.0989 -15.9492 -15.9492 -9.7923 -9.7923 -9.5313 -9.5313 -7.3996 -7.3996 -6.2579 -6.2579 -4.6702 -4.6702 -4.5204 -4.5204 -2.0676 -2.0676 -1.9422 -1.9422 1.1939 1.1939 1.8764 1.8764 k = 0.0882-0.4545 0.0000 ( 11524 PWs) bands (ev): -24.0306 -24.0306 -23.8916 -23.8916 -21.2950 -21.2950 -21.1006 -21.1006 -15.9808 -15.9808 -9.7881 -9.7881 -9.5270 -9.5270 -7.3804 -7.3804 -6.2879 -6.2879 -4.6005 -4.6005 -4.4514 -4.4514 -2.1317 -2.1317 -2.0062 -2.0062 1.1433 1.1433 1.8203 1.8203 k = 0.0835-0.4305 0.0000 ( 11520 PWs) bands (ev): -24.0386 -24.0386 -23.8999 -23.8999 -21.2966 -21.2966 -21.1023 -21.1023 -16.0112 -16.0112 -9.7841 -9.7841 -9.5228 -9.5228 -7.3648 -7.3648 -6.3131 -6.3131 -4.5304 -4.5304 -4.3821 -4.3821 -2.1952 -2.1952 -2.0697 -2.0697 1.0944 1.0944 1.7669 1.7669 k = 0.0789-0.4066 0.0000 ( 11510 PWs) bands (ev): -24.0463 -24.0463 -23.9079 -23.9079 -21.2982 -21.2982 -21.1039 -21.1039 -16.0404 -16.0404 -9.7802 -9.7802 -9.5188 -9.5188 -7.3526 -7.3526 -6.3335 -6.3335 -4.4602 -4.4602 -4.3126 -4.3126 -2.2582 -2.2582 -2.1327 -2.1327 1.0475 1.0475 1.7163 1.7163 k = 0.0742-0.3827 0.0000 ( 11512 PWs) bands (ev): -24.0538 -24.0538 -23.9158 -23.9158 -21.2997 -21.2997 -21.1055 -21.1055 -16.0684 -16.0684 -9.7764 -9.7764 -9.5149 -9.5149 -7.3439 -7.3439 -6.3494 -6.3494 -4.3900 -4.3900 -4.2432 -4.2432 -2.3207 -2.3207 -2.1951 -2.1951 1.0028 1.0028 1.6684 1.6684 k = 0.0696-0.3588 0.0000 ( 11508 PWs) bands (ev): -24.0610 -24.0610 -23.9232 -23.9232 -21.3012 -21.3012 -21.1070 -21.1070 -16.0949 -16.0949 -9.7728 -9.7728 -9.5112 -9.5112 -7.3383 -7.3383 -6.3611 -6.3611 -4.3197 -4.3197 -4.1738 -4.1738 -2.3828 -2.3828 -2.2570 -2.2570 0.9603 0.9603 1.6234 1.6234 k = 0.0650-0.3349 0.0000 ( 11506 PWs) bands (ev): -24.0677 -24.0677 -23.9302 -23.9302 -21.3026 -21.3026 -21.1084 -21.1084 -16.1201 -16.1201 -9.7693 -9.7693 -9.5077 -9.5077 -7.3357 -7.3357 -6.3689 -6.3689 -4.2496 -4.2496 -4.1046 -4.1046 -2.4445 -2.4445 -2.3186 -2.3186 0.9203 0.9203 1.5812 1.5812 k = 0.0603-0.3109 0.0000 ( 11500 PWs) bands (ev): -24.0741 -24.0741 -23.9368 -23.9368 -21.3039 -21.3039 -21.1097 -21.1097 -16.1437 -16.1437 -9.7661 -9.7661 -9.5043 -9.5043 -7.3356 -7.3356 -6.3734 -6.3734 -4.1796 -4.1796 -4.0356 -4.0356 -2.5059 -2.5059 -2.3797 -2.3797 0.8828 0.8828 1.5419 1.5419 k = 0.0557-0.2870 0.0000 ( 11484 PWs) bands (ev): -24.0800 -24.0800 -23.9429 -23.9429 -21.3051 -21.3051 -21.1110 -21.1110 -16.1658 -16.1658 -9.7630 -9.7630 -9.5012 -9.5012 -7.3376 -7.3376 -6.3751 -6.3751 -4.1100 -4.1100 -3.9670 -3.9670 -2.5670 -2.5670 -2.4405 -2.4405 0.8479 0.8479 1.5055 1.5055 k = 0.0510-0.2631 0.0000 ( 11486 PWs) bands (ev): -24.0856 -24.0856 -23.9488 -23.9488 -21.3062 -21.3062 -21.1122 -21.1122 -16.1864 -16.1864 -9.7601 -9.7601 -9.4982 -9.4982 -7.3413 -7.3413 -6.3745 -6.3745 -4.0406 -4.0406 -3.8987 -3.8987 -2.6278 -2.6278 -2.5009 -2.5009 0.8157 0.8157 1.4720 1.4720 k = 0.0464-0.2392 0.0000 ( 11504 PWs) bands (ev): -24.0910 -24.0910 -23.9543 -23.9543 -21.3073 -21.3073 -21.1133 -21.1133 -16.2053 -16.2053 -9.7575 -9.7575 -9.4955 -9.4955 -7.3461 -7.3461 -6.3721 -6.3721 -3.9717 -3.9717 -3.8310 -3.8310 -2.6885 -2.6885 -2.5612 -2.5612 0.7861 0.7861 1.4413 1.4413 k = 0.0418-0.2153 0.0000 ( 11506 PWs) bands (ev): -24.0958 -24.0958 -23.9593 -23.9593 -21.3083 -21.3083 -21.1143 -21.1143 -16.2225 -16.2225 -9.7551 -9.7551 -9.4930 -9.4930 -7.3518 -7.3518 -6.3685 -6.3685 -3.9034 -3.9034 -3.7638 -3.7638 -2.7491 -2.7491 -2.6212 -2.6212 0.7593 0.7593 1.4136 1.4136 k = 0.0371-0.1914 0.0000 ( 11488 PWs) bands (ev): -24.0999 -24.0999 -23.9637 -23.9637 -21.3092 -21.3092 -21.1152 -21.1152 -16.2380 -16.2380 -9.7529 -9.7529 -9.4908 -9.4908 -7.3578 -7.3578 -6.3641 -6.3641 -3.8355 -3.8355 -3.6972 -3.6972 -2.8096 -2.8096 -2.6810 -2.6810 0.7352 0.7352 1.3888 1.3888 k = 0.0325-0.1674 0.0000 ( 11482 PWs) bands (ev): -24.1037 -24.1037 -23.9676 -23.9676 -21.3100 -21.3100 -21.1160 -21.1160 -16.2518 -16.2518 -9.7509 -9.7509 -9.4888 -9.4888 -7.3638 -7.3638 -6.3593 -6.3593 -3.7683 -3.7683 -3.6313 -3.6313 -2.8701 -2.8701 -2.7407 -2.7407 0.7139 0.7139 1.3669 1.3669 k = 0.0278-0.1435 0.0000 ( 11496 PWs) bands (ev): -24.1072 -24.1072 -23.9712 -23.9712 -21.3107 -21.3107 -21.1167 -21.1167 -16.2638 -16.2638 -9.7492 -9.7492 -9.4870 -9.4870 -7.3697 -7.3697 -6.3545 -6.3545 -3.7018 -3.7018 -3.5662 -3.5662 -2.9305 -2.9305 -2.8002 -2.8002 0.6954 0.6954 1.3479 1.3479 k = 0.0232-0.1196 0.0000 ( 11490 PWs) bands (ev): -24.1099 -24.1099 -23.9740 -23.9740 -21.3113 -21.3113 -21.1173 -21.1173 -16.2740 -16.2740 -9.7478 -9.7478 -9.4855 -9.4855 -7.3750 -7.3750 -6.3500 -6.3500 -3.6361 -3.6361 -3.5021 -3.5021 -2.9909 -2.9909 -2.8595 -2.8595 0.6797 0.6797 1.3318 1.3318 k = 0.0186-0.0957 0.0000 ( 11497 PWs) bands (ev): -24.1123 -24.1123 -23.9765 -23.9765 -21.3118 -21.3118 -21.1179 -21.1179 -16.2823 -16.2823 -9.7466 -9.7466 -9.4843 -9.4843 -7.3796 -7.3796 -6.3459 -6.3459 -3.5713 -3.5713 -3.4392 -3.4392 -3.0513 -3.0513 -2.9183 -2.9183 0.6668 0.6668 1.3186 1.3186 k = 0.0139-0.0718 0.0000 ( 11479 PWs) bands (ev): -24.1140 -24.1140 -23.9782 -23.9782 -21.3121 -21.3121 -21.1182 -21.1182 -16.2889 -16.2889 -9.7456 -9.7456 -9.4833 -9.4833 -7.3833 -7.3833 -6.3426 -6.3426 -3.5080 -3.5080 -3.3781 -3.3781 -3.1111 -3.1111 -2.9762 -2.9762 0.6568 0.6568 1.3084 1.3084 k = 0.0093-0.0478 0.0000 ( 11481 PWs) bands (ev): -24.1153 -24.1153 -23.9796 -23.9796 -21.3123 -21.3123 -21.1184 -21.1184 -16.2935 -16.2935 -9.7450 -9.7450 -9.4826 -9.4826 -7.3861 -7.3861 -6.3401 -6.3401 -3.4469 -3.4469 -3.3203 -3.3203 -3.1695 -3.1695 -3.0317 -3.0317 0.6497 0.6497 1.3011 1.3011 k = 0.0046-0.0239 0.0000 ( 11469 PWs) bands (ev): -24.1159 -24.1159 -23.9803 -23.9803 -21.3125 -21.3125 -21.1186 -21.1186 -16.2963 -16.2963 -9.7445 -9.7445 -9.4822 -9.4822 -7.3878 -7.3878 -6.3385 -6.3385 -3.3921 -3.3921 -3.2712 -3.2712 -3.2223 -3.2223 -3.0799 -3.0799 0.6454 0.6454 1.2967 1.2967 k = 0.0000 0.0000 0.0000 ( 11475 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3632 -3.3632 -3.2554 -3.2554 -3.2429 -3.2429 -3.1030 -3.1030 0.6440 0.6440 1.2952 1.2952 k = 0.0000 0.0000 0.0000 ( 11475 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3632 -3.3632 -3.2554 -3.2554 -3.2429 -3.2429 -3.1030 -3.1030 0.6440 0.6440 1.2952 1.2952 k = 0.0091-0.0226-0.0010 ( 11473 PWs) bands (ev): -24.1160 -24.1160 -23.9803 -23.9803 -21.3125 -21.3125 -21.1186 -21.1186 -16.2964 -16.2964 -9.7445 -9.7445 -9.4822 -9.4822 -7.3878 -7.3878 -6.3385 -6.3385 -3.3911 -3.3911 -3.2704 -3.2704 -3.2233 -3.2233 -3.0807 -3.0807 0.6454 0.6454 1.2967 1.2967 k = 0.0182-0.0451-0.0020 ( 11478 PWs) bands (ev): -24.1153 -24.1153 -23.9796 -23.9796 -21.3124 -21.3124 -21.1185 -21.1185 -16.2937 -16.2937 -9.7449 -9.7449 -9.4826 -9.4826 -7.3862 -7.3862 -6.3400 -6.3400 -3.4446 -3.4446 -3.3181 -3.3181 -3.1718 -3.1718 -3.0339 -3.0339 0.6498 0.6498 1.3011 1.3011 k = 0.0273-0.0677-0.0029 ( 11488 PWs) bands (ev): -24.1141 -24.1141 -23.9783 -23.9783 -21.3121 -21.3121 -21.1182 -21.1182 -16.2892 -16.2892 -9.7456 -9.7456 -9.4833 -9.4833 -7.3835 -7.3835 -6.3424 -6.3424 -3.5042 -3.5042 -3.3745 -3.3745 -3.1148 -3.1148 -2.9797 -2.9797 0.6572 0.6572 1.3086 1.3086 k = 0.0364-0.0902-0.0039 ( 11494 PWs) bands (ev): -24.1124 -24.1124 -23.9766 -23.9766 -21.3118 -21.3118 -21.1179 -21.1179 -16.2830 -16.2830 -9.7465 -9.7465 -9.4842 -9.4842 -7.3799 -7.3799 -6.3456 -6.3456 -3.5662 -3.5662 -3.4342 -3.4342 -3.0562 -3.0562 -2.9232 -2.9232 0.6674 0.6674 1.3189 1.3189 k = 0.0455-0.1128-0.0049 ( 11498 PWs) bands (ev): -24.1102 -24.1102 -23.9743 -23.9743 -21.3114 -21.3114 -21.1174 -21.1174 -16.2749 -16.2749 -9.7476 -9.7476 -9.4854 -9.4854 -7.3754 -7.3754 -6.3495 -6.3495 -3.6295 -3.6295 -3.4958 -3.4958 -2.9972 -2.9972 -2.8657 -2.8657 0.6806 0.6806 1.3323 1.3323 k = 0.0545-0.1353-0.0059 ( 11493 PWs) bands (ev): -24.1075 -24.1075 -23.9715 -23.9715 -21.3108 -21.3108 -21.1169 -21.1169 -16.2651 -16.2651 -9.7490 -9.7490 -9.4868 -9.4868 -7.3703 -7.3703 -6.3539 -6.3539 -3.6938 -3.6938 -3.5585 -3.5585 -2.9380 -2.9380 -2.8077 -2.8077 0.6967 0.6967 1.3486 1.3486 k = 0.0636-0.1579-0.0069 ( 11493 PWs) bands (ev): -24.1043 -24.1043 -23.9681 -23.9681 -21.3101 -21.3101 -21.1162 -21.1162 -16.2536 -16.2536 -9.7507 -9.7507 -9.4885 -9.4885 -7.3646 -7.3646 -6.3586 -6.3586 -3.7589 -3.7589 -3.6222 -3.6222 -2.8789 -2.8789 -2.7496 -2.7496 0.7157 0.7157 1.3679 1.3679 k = 0.0727-0.1804-0.0078 ( 11499 PWs) bands (ev): -24.1006 -24.1006 -23.9644 -23.9644 -21.3094 -21.3094 -21.1154 -21.1154 -16.2404 -16.2404 -9.7525 -9.7525 -9.4904 -9.4904 -7.3587 -7.3587 -6.3634 -6.3634 -3.8247 -3.8247 -3.6866 -3.6866 -2.8197 -2.8197 -2.6913 -2.6913 0.7376 0.7376 1.3901 1.3901 k = 0.0818-0.2030-0.0088 ( 11499 PWs) bands (ev): -24.0965 -24.0965 -23.9601 -23.9601 -21.3085 -21.3085 -21.1145 -21.1145 -16.2255 -16.2255 -9.7546 -9.7546 -9.4926 -9.4926 -7.3527 -7.3527 -6.3678 -6.3678 -3.8911 -3.8911 -3.7518 -3.7518 -2.7605 -2.7605 -2.6330 -2.6330 0.7623 0.7623 1.4153 1.4153 k = 0.0909-0.2255-0.0098 ( 11498 PWs) bands (ev): -24.0919 -24.0919 -23.9553 -23.9553 -21.3076 -21.3076 -21.1136 -21.1136 -16.2090 -16.2090 -9.7570 -9.7570 -9.4950 -9.4950 -7.3471 -7.3471 -6.3715 -6.3715 -3.9580 -3.9580 -3.8176 -3.8176 -2.7013 -2.7013 -2.5745 -2.5745 0.7899 0.7899 1.4435 1.4435 k = 0.1000-0.2481-0.0108 ( 11495 PWs) bands (ev): -24.0869 -24.0869 -23.9501 -23.9501 -21.3066 -21.3066 -21.1125 -21.1125 -16.1908 -16.1908 -9.7595 -9.7595 -9.4976 -9.4976 -7.3421 -7.3421 -6.3740 -6.3740 -4.0254 -4.0254 -3.8839 -3.8839 -2.6420 -2.6420 -2.5159 -2.5159 0.8203 0.8203 1.4746 1.4746 k = 0.1091-0.2706-0.0118 ( 11495 PWs) bands (ev): -24.0815 -24.0815 -23.9445 -23.9445 -21.3054 -21.3054 -21.1114 -21.1114 -16.1710 -16.1710 -9.7623 -9.7623 -9.5004 -9.5004 -7.3382 -7.3382 -6.3751 -6.3751 -4.0933 -4.0933 -3.9506 -3.9506 -2.5825 -2.5825 -2.4570 -2.4570 0.8535 0.8535 1.5086 1.5086 k = 0.1182-0.2932-0.0127 ( 11493 PWs) bands (ev): -24.0756 -24.0756 -23.9384 -23.9384 -21.3043 -21.3043 -21.1101 -21.1101 -16.1497 -16.1497 -9.7652 -9.7652 -9.5035 -9.5035 -7.3358 -7.3358 -6.3740 -6.3740 -4.1615 -4.1615 -4.0178 -4.0178 -2.5228 -2.5228 -2.3980 -2.3980 0.8895 0.8895 1.5456 1.5456 k = 0.1273-0.3157-0.0137 ( 11500 PWs) bands (ev): -24.0695 -24.0695 -23.9321 -23.9321 -21.3030 -21.3030 -21.1088 -21.1088 -16.1270 -16.1270 -9.7684 -9.7684 -9.5067 -9.5067 -7.3352 -7.3352 -6.3704 -6.3704 -4.2300 -4.2300 -4.0853 -4.0853 -2.4629 -2.4629 -2.3387 -2.3387 0.9281 0.9281 1.5855 1.5855 k = 0.1364-0.3383-0.0147 ( 11509 PWs) bands (ev): -24.0630 -24.0630 -23.9253 -23.9253 -21.3017 -21.3017 -21.1075 -21.1075 -16.1028 -16.1028 -9.7717 -9.7717 -9.5101 -9.5101 -7.3370 -7.3370 -6.3637 -6.3637 -4.2986 -4.2986 -4.1531 -4.1531 -2.4027 -2.4027 -2.2790 -2.2790 0.9694 0.9694 1.6283 1.6283 k = 0.1455-0.3608-0.0157 ( 11515 PWs) bands (ev): -24.0562 -24.0562 -23.9182 -23.9182 -21.3003 -21.3003 -21.1061 -21.1061 -16.0772 -16.0772 -9.7752 -9.7752 -9.5137 -9.5137 -7.3415 -7.3415 -6.3534 -6.3534 -4.3675 -4.3675 -4.2210 -4.2210 -2.3421 -2.3421 -2.2190 -2.2190 1.0132 1.0132 1.6739 1.6739 k = 0.1545-0.3834-0.0167 ( 11516 PWs) bands (ev): -24.0490 -24.0490 -23.9107 -23.9107 -21.2988 -21.2988 -21.1045 -21.1045 -16.0502 -16.0502 -9.7788 -9.7788 -9.5174 -9.5174 -7.3490 -7.3490 -6.3392 -6.3392 -4.4363 -4.4363 -4.2891 -4.2891 -2.2811 -2.2811 -2.1586 -2.1586 1.0595 1.0595 1.7225 1.7225 k = 0.1636-0.4059-0.0176 ( 11524 PWs) bands (ev): -24.0415 -24.0415 -23.9030 -23.9030 -21.2973 -21.2973 -21.1030 -21.1030 -16.0221 -16.0221 -9.7826 -9.7826 -9.5213 -9.5213 -7.3597 -7.3597 -6.3208 -6.3208 -4.5051 -4.5051 -4.3571 -4.3571 -2.2197 -2.2197 -2.0978 -2.0978 1.1081 1.1081 1.7738 1.7738 k = 0.1727-0.4285-0.0186 ( 11532 PWs) bands (ev): -24.0338 -24.0338 -23.8949 -23.8949 -21.2957 -21.2957 -21.1014 -21.1014 -15.9927 -15.9927 -9.7866 -9.7866 -9.5254 -9.5254 -7.3737 -7.3737 -6.2978 -6.2978 -4.5738 -4.5738 -4.4251 -4.4251 -2.1579 -2.1579 -2.0365 -2.0365 1.1588 1.1588 1.8279 1.8279 k = 0.1818-0.4510-0.0196 ( 11539 PWs) bands (ev): -24.0257 -24.0257 -23.8866 -23.8866 -21.2941 -21.2941 -21.0997 -21.0997 -15.9622 -15.9622 -9.7906 -9.7906 -9.5295 -9.5295 -7.3911 -7.3911 -6.2702 -6.2702 -4.6423 -4.6423 -4.4928 -4.4928 -2.0955 -2.0955 -1.9747 -1.9747 1.2114 1.2114 1.8848 1.8848 k = 0.1909-0.4736-0.0206 ( 11552 PWs) bands (ev): -24.0175 -24.0175 -23.8780 -23.8780 -21.2924 -21.2924 -21.0980 -21.0980 -15.9306 -15.9306 -9.7947 -9.7947 -9.5338 -9.5338 -7.4119 -7.4119 -6.2380 -6.2380 -4.7104 -4.7104 -4.5603 -4.5603 -2.0326 -2.0326 -1.9124 -1.9124 1.2656 1.2656 1.9442 1.9442 k = 0.2000-0.4961-0.0216 ( 11561 PWs) bands (ev): -24.0091 -24.0091 -23.8693 -23.8693 -21.2907 -21.2907 -21.0963 -21.0963 -15.8981 -15.8981 -9.7990 -9.7990 -9.5381 -9.5381 -7.4357 -7.4357 -6.2011 -6.2011 -4.7781 -4.7781 -4.6274 -4.6274 -1.9692 -1.9692 -1.8496 -1.8496 1.3209 1.3209 2.0062 2.0062 k = 0.2091-0.5187-0.0225 ( 11564 PWs) bands (ev): -24.0005 -24.0005 -23.8604 -23.8604 -21.2890 -21.2890 -21.0945 -21.0945 -15.8647 -15.8647 -9.8033 -9.8033 -9.5426 -9.5426 -7.4625 -7.4625 -6.1597 -6.1597 -4.8452 -4.8452 -4.6939 -4.6939 -1.9052 -1.9052 -1.7862 -1.7862 1.3767 1.3767 2.0704 2.0704 k = 0.2182-0.5412-0.0235 ( 11562 PWs) bands (ev): -23.9917 -23.9917 -23.8512 -23.8512 -21.2872 -21.2872 -21.0926 -21.0926 -15.8304 -15.8304 -9.8077 -9.8077 -9.5471 -9.5471 -7.4921 -7.4921 -6.1138 -6.1138 -4.9117 -4.9117 -4.7599 -4.7599 -1.8407 -1.8407 -1.7222 -1.7222 1.4319 1.4319 2.1366 2.1366 k = 0.2273-0.5638-0.0245 ( 11558 PWs) bands (ev): -23.9827 -23.9827 -23.8419 -23.8419 -21.2853 -21.2853 -21.0908 -21.0908 -15.7954 -15.7954 -9.8121 -9.8121 -9.5516 -9.5516 -7.5240 -7.5240 -6.0637 -6.0637 -4.9774 -4.9774 -4.8252 -4.8252 -1.7757 -1.7757 -1.6578 -1.6578 1.4851 1.4851 2.2041 2.2041 k = 0.2364-0.5863-0.0255 ( 11559 PWs) bands (ev): -23.9737 -23.9737 -23.8325 -23.8325 -21.2835 -21.2835 -21.0889 -21.0889 -15.7599 -15.7599 -9.8166 -9.8166 -9.5562 -9.5562 -7.5581 -7.5581 -6.0095 -6.0095 -5.0423 -5.0423 -4.8896 -4.8896 -1.7101 -1.7101 -1.5928 -1.5928 1.5338 1.5338 2.2718 2.2718 k = 0.2455-0.6089-0.0265 ( 11559 PWs) bands (ev): -23.9646 -23.9646 -23.8231 -23.8231 -21.2817 -21.2817 -21.0870 -21.0870 -15.7238 -15.7238 -9.8211 -9.8211 -9.5608 -9.5608 -7.5940 -7.5940 -5.9513 -5.9513 -5.1062 -5.1062 -4.9531 -4.9531 -1.6442 -1.6442 -1.5273 -1.5273 1.5742 1.5742 2.3375 2.3375 k = 0.2545-0.6314-0.0274 ( 11569 PWs) bands (ev): -23.9556 -23.9556 -23.8136 -23.8136 -21.2799 -21.2799 -21.0851 -21.0851 -15.6873 -15.6873 -9.8256 -9.8256 -9.5655 -9.5655 -7.6315 -7.6315 -5.8894 -5.8894 -5.1690 -5.1690 -5.0155 -5.0155 -1.5777 -1.5777 -1.4613 -1.4613 1.5999 1.5999 2.3958 2.3958 k = 0.2636-0.6540-0.0284 ( 11572 PWs) bands (ev): -23.9465 -23.9465 -23.8042 -23.8042 -21.2780 -21.2780 -21.0833 -21.0833 -15.6505 -15.6505 -9.8301 -9.8301 -9.5701 -9.5701 -7.6703 -7.6703 -5.8239 -5.8239 -5.2306 -5.2306 -5.0768 -5.0768 -1.5110 -1.5110 -1.3949 -1.3949 1.6021 1.6021 2.4362 2.4362 k = 0.2727-0.6765-0.0294 ( 11572 PWs) bands (ev): -23.9373 -23.9373 -23.7947 -23.7947 -21.2762 -21.2762 -21.0814 -21.0814 -15.6135 -15.6135 -9.8346 -9.8346 -9.5747 -9.5747 -7.7101 -7.7101 -5.7550 -5.7550 -5.2909 -5.2909 -5.1369 -5.1369 -1.4439 -1.4439 -1.3282 -1.3282 1.5706 1.5706 2.4519 2.4519 k = 0.2818-0.6991-0.0304 ( 11580 PWs) bands (ev): -23.9283 -23.9283 -23.7853 -23.7853 -21.2744 -21.2744 -21.0796 -21.0796 -15.5765 -15.5765 -9.8390 -9.8390 -9.5792 -9.5792 -7.7506 -7.7506 -5.6827 -5.6827 -5.3499 -5.3499 -5.1956 -5.1956 -1.3766 -1.3766 -1.2611 -1.2611 1.4994 1.4994 2.4615 2.4615 k = 0.2909-0.7216-0.0314 ( 11583 PWs) bands (ev): -23.9194 -23.9194 -23.7761 -23.7761 -21.2726 -21.2726 -21.0777 -21.0777 -15.5394 -15.5394 -9.8434 -9.8434 -9.5837 -9.5837 -7.7917 -7.7917 -5.6072 -5.6072 -5.4072 -5.4072 -5.2527 -5.2527 -1.3091 -1.3091 -1.1939 -1.1939 1.3915 1.3915 2.4866 2.4866 k = 0.3000-0.7442-0.0323 ( 11584 PWs) bands (ev): -23.9105 -23.9105 -23.7668 -23.7668 -21.2708 -21.2708 -21.0759 -21.0759 -15.5026 -15.5026 -9.8477 -9.8477 -9.5881 -9.5881 -7.8330 -7.8330 -5.5289 -5.5289 -5.4628 -5.4628 -5.3083 -5.3083 -1.2417 -1.2417 -1.1265 -1.1265 1.2559 1.2559 2.5321 2.5321 k = 0.3091-0.7667-0.0333 ( 11582 PWs) bands (ev): -23.9018 -23.9018 -23.7577 -23.7577 -21.2691 -21.2691 -21.0741 -21.0741 -15.4660 -15.4660 -9.8519 -9.8519 -9.5925 -9.5925 -7.8744 -7.8744 -5.5176 -5.5176 -5.4469 -5.4469 -5.3623 -5.3623 -1.1744 -1.1744 -1.0591 -1.0591 1.1021 1.1021 2.5944 2.5944 k = 0.3182-0.7893-0.0343 ( 11583 PWs) bands (ev): -23.8932 -23.8932 -23.7488 -23.7488 -21.2674 -21.2674 -21.0724 -21.0724 -15.4299 -15.4299 -9.8560 -9.8560 -9.5967 -9.5967 -7.9156 -7.9156 -5.5697 -5.5697 -5.4145 -5.4145 -5.3628 -5.3628 -1.1074 -1.1074 -0.9919 -0.9919 0.9372 0.9372 2.6692 2.6692 k = 0.3273-0.8118-0.0353 ( 11577 PWs) bands (ev): -23.8849 -23.8849 -23.7401 -23.7401 -21.2657 -21.2657 -21.0707 -21.0707 -15.3944 -15.3944 -9.8601 -9.8601 -9.6009 -9.6009 -7.9563 -7.9563 -5.6200 -5.6200 -5.4647 -5.4647 -5.2760 -5.2760 -1.0408 -1.0408 -0.9250 -0.9250 0.7658 0.7658 2.7533 2.7533 k = 0.3364-0.8344-0.0363 ( 11581 PWs) bands (ev): -23.8767 -23.8767 -23.7317 -23.7317 -21.2642 -21.2642 -21.0690 -21.0690 -15.3595 -15.3595 -9.8640 -9.8640 -9.6049 -9.6049 -7.9965 -7.9965 -5.6684 -5.6684 -5.5130 -5.5130 -5.1866 -5.1866 -0.9749 -0.9749 -0.8586 -0.8586 0.5911 0.5911 2.8445 2.8445 k = 0.3455-0.8569-0.0372 ( 11579 PWs) bands (ev): -23.8689 -23.8689 -23.7235 -23.7235 -21.2626 -21.2626 -21.0674 -21.0674 -15.3255 -15.3255 -9.8678 -9.8678 -9.6088 -9.6088 -8.0358 -8.0358 -5.7147 -5.7147 -5.5592 -5.5592 -5.0949 -5.0949 -0.9098 -0.9098 -0.7929 -0.7929 0.4151 0.4151 2.9414 2.9414 k = 0.3545-0.8795-0.0382 ( 11579 PWs) bands (ev): -23.8613 -23.8613 -23.7157 -23.7157 -21.2611 -21.2611 -21.0659 -21.0659 -15.2925 -15.2925 -9.8714 -9.8714 -9.6125 -9.6125 -8.0742 -8.0742 -5.7589 -5.7589 -5.6033 -5.6033 -5.0011 -5.0011 -0.8459 -0.8459 -0.7280 -0.7280 0.2394 0.2394 3.0429 3.0429 k = 0.3636-0.9020-0.0392 ( 11584 PWs) bands (ev): -23.8541 -23.8541 -23.7082 -23.7082 -21.2597 -21.2597 -21.0644 -21.0644 -15.2605 -15.2605 -9.8749 -9.8749 -9.6160 -9.6160 -8.1113 -8.1113 -5.8008 -5.8008 -5.6451 -5.6451 -4.9053 -4.9053 -0.7834 -0.7834 -0.6644 -0.6644 0.0651 0.0651 3.1481 3.1481 k = 0.3727-0.9246-0.0402 ( 11580 PWs) bands (ev): -23.8471 -23.8471 -23.7009 -23.7009 -21.2583 -21.2583 -21.0630 -21.0630 -15.2298 -15.2298 -9.8782 -9.8782 -9.6194 -9.6194 -8.1470 -8.1470 -5.8404 -5.8404 -5.6846 -5.6846 -4.8078 -4.8078 -0.7229 -0.7229 -0.6022 -0.6022 -0.1068 -0.1068 3.2565 3.2565 k = 0.3818-0.9471-0.0412 ( 11576 PWs) bands (ev): -23.8406 -23.8406 -23.6941 -23.6941 -21.2570 -21.2570 -21.0617 -21.0617 -15.2006 -15.2006 -9.8813 -9.8813 -9.6226 -9.6226 -8.1812 -8.1812 -5.8775 -5.8775 -5.7217 -5.7217 -4.7090 -4.7090 -0.6653 -0.6653 -0.5418 -0.5418 -0.2748 -0.2748 3.3672 3.3672 k = 0.3909-0.9697-0.0421 ( 11588 PWs) bands (ev): -23.8344 -23.8344 -23.6877 -23.6877 -21.2559 -21.2559 -21.0605 -21.0605 -15.1728 -15.1728 -9.8842 -9.8842 -9.6257 -9.6257 -8.2136 -8.2136 -5.9123 -5.9123 -5.7564 -5.7564 -4.6091 -4.6091 -0.6145 -0.6145 -0.4846 -0.4846 -0.4336 -0.4336 3.4796 3.4796 k = 0.4000-0.9922-0.0431 ( 11591 PWs) bands (ev): -23.8287 -23.8287 -23.6818 -23.6818 -21.2547 -21.2547 -21.0594 -21.0594 -15.1467 -15.1467 -9.8870 -9.8870 -9.6285 -9.6285 -8.2441 -8.2441 -5.9444 -5.9444 -5.7886 -5.7886 -4.5088 -4.5088 -0.6323 -0.6323 -0.5250 -0.5250 -0.4268 -0.4268 3.5925 3.5925 k = 0.4091-1.0148-0.0441 ( 11594 PWs) bands (ev): -23.8234 -23.8234 -23.6762 -23.6762 -21.2537 -21.2537 -21.0583 -21.0583 -15.1224 -15.1224 -9.8895 -9.8895 -9.6311 -9.6311 -8.2725 -8.2725 -5.9740 -5.9740 -5.8181 -5.8181 -4.4084 -4.4084 -0.7734 -0.7734 -0.4891 -0.4891 -0.3740 -0.3740 3.7046 3.7046 k = 0.4182-1.0373-0.0451 ( 11590 PWs) bands (ev): -23.8185 -23.8185 -23.6711 -23.6711 -21.2527 -21.2527 -21.0573 -21.0573 -15.0999 -15.0999 -9.8918 -9.8918 -9.6334 -9.6334 -8.2987 -8.2987 -6.0010 -6.0010 -5.8450 -5.8450 -4.3088 -4.3088 -0.9218 -0.9218 -0.4434 -0.4434 -0.3242 -0.3242 3.8136 3.8136 k = 0.4273-1.0599-0.0461 ( 11591 PWs) bands (ev): -23.8140 -23.8140 -23.6665 -23.6665 -21.2519 -21.2519 -21.0564 -21.0564 -15.0795 -15.0795 -9.8939 -9.8939 -9.6356 -9.6356 -8.3225 -8.3225 -6.0252 -6.0252 -5.8693 -5.8693 -4.2110 -4.2110 -1.0651 -1.0651 -0.3996 -0.3996 -0.2781 -0.2781 3.9158 3.9158 k = 0.4364-1.0824-0.0470 ( 11585 PWs) bands (ev): -23.8100 -23.8100 -23.6624 -23.6624 -21.2511 -21.2511 -21.0556 -21.0556 -15.0613 -15.0613 -9.8957 -9.8957 -9.6375 -9.6375 -8.3439 -8.3439 -6.0467 -6.0467 -5.8908 -5.8908 -4.1160 -4.1160 -1.2007 -1.2007 -0.3593 -0.3593 -0.2361 -0.2361 4.0061 4.0061 k = 0.4455-1.1050-0.0480 ( 11583 PWs) bands (ev): -23.8066 -23.8066 -23.6587 -23.6587 -21.2504 -21.2504 -21.0549 -21.0549 -15.0452 -15.0452 -9.8974 -9.8974 -9.6392 -9.6392 -8.3626 -8.3626 -6.0654 -6.0654 -5.9095 -5.9095 -4.0255 -4.0255 -1.3267 -1.3267 -0.3233 -0.3233 -0.1986 -0.1986 4.0784 4.0784 k = 0.4545-1.1275-0.0490 ( 11580 PWs) bands (ev): -23.8036 -23.8036 -23.6556 -23.6556 -21.2498 -21.2498 -21.0543 -21.0543 -15.0315 -15.0315 -9.8988 -9.8988 -9.6406 -9.6406 -8.3786 -8.3786 -6.0813 -6.0813 -5.9254 -5.9254 -3.9415 -3.9415 -1.4410 -1.4410 -0.2920 -0.2920 -0.1660 -0.1660 4.1289 4.1289 k = 0.4636-1.1501-0.0500 ( 11579 PWs) bands (ev): -23.8011 -23.8011 -23.6531 -23.6531 -21.2494 -21.2494 -21.0539 -21.0539 -15.0201 -15.0201 -9.8999 -9.8999 -9.6418 -9.6418 -8.3919 -8.3919 -6.0944 -6.0944 -5.9384 -5.9384 -3.8663 -3.8663 -1.5410 -1.5410 -0.2658 -0.2658 -0.1387 -0.1387 4.1592 4.1592 k = 0.4727-1.1727-0.0510 ( 11589 PWs) bands (ev): -23.7993 -23.7993 -23.6512 -23.6512 -21.2490 -21.2490 -21.0535 -21.0535 -15.0112 -15.0112 -9.9008 -9.9008 -9.6427 -9.6427 -8.4023 -8.4023 -6.1045 -6.1045 -5.9486 -5.9486 -3.8029 -3.8029 -1.6238 -1.6238 -0.2450 -0.2450 -0.1172 -0.1172 4.1747 4.1747 k = 0.4818-1.1952-0.0519 ( 11591 PWs) bands (ev): -23.7981 -23.7981 -23.6499 -23.6499 -21.2487 -21.2487 -21.0532 -21.0532 -15.0049 -15.0049 -9.9014 -9.9014 -9.6433 -9.6433 -8.4097 -8.4097 -6.1118 -6.1118 -5.9559 -5.9559 -3.7544 -3.7544 -1.6862 -1.6862 -0.2300 -0.2300 -0.1015 -0.1015 4.1816 4.1816 k = 0.4909-1.2178-0.0529 ( 11592 PWs) bands (ev): -23.7973 -23.7973 -23.6490 -23.6490 -21.2485 -21.2485 -21.0530 -21.0530 -15.0010 -15.0010 -9.9018 -9.9018 -9.6437 -9.6437 -8.4142 -8.4142 -6.1162 -6.1162 -5.9602 -5.9602 -3.7238 -3.7238 -1.7251 -1.7251 -0.2209 -0.2209 -0.0921 -0.0921 4.1841 4.1841 k = 0.5000-1.2403-0.0539 ( 11596 PWs) bands (ev): -23.7970 -23.7970 -23.6488 -23.6488 -21.2485 -21.2485 -21.0530 -21.0530 -14.9997 -14.9997 -9.9019 -9.9019 -9.6439 -9.6439 -8.4157 -8.4157 -6.1176 -6.1176 -5.9617 -5.9617 -3.7133 -3.7133 -1.7383 -1.7383 -0.2179 -0.2179 -0.0889 -0.0889 4.1846 4.1846 k = 0.5000-1.2403 0.2172 ( 11588 PWs) bands (ev): -23.7969 -23.7969 -23.6487 -23.6487 -21.2486 -21.2486 -21.0530 -21.0530 -14.9998 -14.9998 -9.9019 -9.9019 -9.6439 -9.6439 -8.4157 -8.4157 -6.1176 -6.1176 -5.9617 -5.9617 -3.7133 -3.7133 -1.7383 -1.7383 -0.2179 -0.2179 -0.0889 -0.0889 4.1857 4.1857 k = 0.4909-1.2178 0.2132 ( 11597 PWs) bands (ev): -23.7972 -23.7972 -23.6490 -23.6490 -21.2487 -21.2487 -21.0531 -21.0531 -15.0010 -15.0010 -9.9018 -9.9018 -9.6437 -9.6437 -8.4142 -8.4142 -6.1162 -6.1162 -5.9602 -5.9602 -3.7238 -3.7238 -1.7251 -1.7251 -0.2209 -0.2209 -0.0921 -0.0921 4.1854 4.1854 k = 0.4818-1.1952 0.2093 ( 11586 PWs) bands (ev): -23.7979 -23.7979 -23.6498 -23.6498 -21.2488 -21.2488 -21.0532 -21.0532 -15.0049 -15.0049 -9.9014 -9.9014 -9.6433 -9.6433 -8.4097 -8.4097 -6.1118 -6.1118 -5.9559 -5.9559 -3.7544 -3.7544 -1.6862 -1.6862 -0.2300 -0.2300 -0.1015 -0.1015 4.1836 4.1836 k = 0.4727-1.1727 0.2053 ( 11595 PWs) bands (ev): -23.7994 -23.7994 -23.6513 -23.6513 -21.2490 -21.2490 -21.0535 -21.0535 -15.0113 -15.0113 -9.9008 -9.9008 -9.6427 -9.6427 -8.4023 -8.4023 -6.1045 -6.1045 -5.9486 -5.9486 -3.8029 -3.8029 -1.6238 -1.6238 -0.2450 -0.2450 -0.1172 -0.1172 4.1781 4.1781 k = 0.4636-1.1501 0.2014 ( 11596 PWs) bands (ev): -23.8012 -23.8012 -23.6532 -23.6532 -21.2494 -21.2494 -21.0539 -21.0539 -15.0202 -15.0202 -9.8999 -9.8999 -9.6418 -9.6418 -8.3919 -8.3919 -6.0944 -6.0944 -5.9384 -5.9384 -3.8663 -3.8663 -1.5410 -1.5410 -0.2658 -0.2658 -0.1387 -0.1387 4.1653 4.1653 k = 0.4545-1.1275 0.1974 ( 11594 PWs) bands (ev): -23.8036 -23.8036 -23.6557 -23.6557 -21.2499 -21.2499 -21.0544 -21.0544 -15.0315 -15.0315 -9.8988 -9.8988 -9.6406 -9.6406 -8.3786 -8.3786 -6.0813 -6.0813 -5.9254 -5.9254 -3.9415 -3.9415 -1.4410 -1.4410 -0.2920 -0.2920 -0.1660 -0.1660 4.1397 4.1397 k = 0.4455-1.1050 0.1935 ( 11600 PWs) bands (ev): -23.8066 -23.8066 -23.6588 -23.6588 -21.2505 -21.2505 -21.0550 -21.0550 -15.0452 -15.0452 -9.8974 -9.8974 -9.6392 -9.6392 -8.3626 -8.3626 -6.0654 -6.0654 -5.9095 -5.9095 -4.0255 -4.0255 -1.3267 -1.3267 -0.3233 -0.3233 -0.1986 -0.1986 4.0962 4.0962 k = 0.4364-1.0824 0.1895 ( 11608 PWs) bands (ev): -23.8101 -23.8101 -23.6624 -23.6624 -21.2512 -21.2512 -21.0558 -21.0558 -15.0613 -15.0613 -9.8958 -9.8958 -9.6375 -9.6375 -8.3439 -8.3439 -6.0467 -6.0467 -5.8908 -5.8908 -4.1160 -4.1160 -1.2007 -1.2007 -0.3593 -0.3593 -0.2361 -0.2361 4.0324 4.0324 k = 0.4273-1.0599 0.1856 ( 11607 PWs) bands (ev): -23.8141 -23.8141 -23.6665 -23.6665 -21.2520 -21.2520 -21.0565 -21.0565 -15.0796 -15.0796 -9.8939 -9.8939 -9.6356 -9.6356 -8.3225 -8.3225 -6.0252 -6.0252 -5.8693 -5.8693 -4.2110 -4.2110 -1.0651 -1.0651 -0.3996 -0.3996 -0.2781 -0.2781 3.9504 3.9504 k = 0.4182-1.0373 0.1816 ( 11601 PWs) bands (ev): -23.8185 -23.8185 -23.6711 -23.6711 -21.2528 -21.2528 -21.0574 -21.0574 -15.1000 -15.1000 -9.8918 -9.8918 -9.6335 -9.6335 -8.2987 -8.2987 -6.0010 -6.0010 -5.8451 -5.8451 -4.3088 -4.3088 -0.9218 -0.9218 -0.4434 -0.4434 -0.3242 -0.3242 3.8547 3.8547 k = 0.4091-1.0148 0.1777 ( 11604 PWs) bands (ev): -23.8234 -23.8234 -23.6762 -23.6762 -21.2538 -21.2538 -21.0584 -21.0584 -15.1224 -15.1224 -9.8895 -9.8895 -9.6311 -9.6311 -8.2725 -8.2725 -5.9740 -5.9740 -5.8181 -5.8181 -4.4084 -4.4084 -0.7734 -0.7734 -0.4891 -0.4891 -0.3740 -0.3740 3.7504 3.7504 k = 0.4000-0.9922 0.1737 ( 11599 PWs) bands (ev): -23.8287 -23.8287 -23.6817 -23.6817 -21.2548 -21.2548 -21.0594 -21.0594 -15.1467 -15.1467 -9.8870 -9.8870 -9.6285 -9.6285 -8.2441 -8.2441 -5.9444 -5.9444 -5.7886 -5.7886 -4.5088 -4.5088 -0.6323 -0.6323 -0.5250 -0.5250 -0.4268 -0.4268 3.6412 3.6412 k = 0.3909-0.9697 0.1698 ( 11598 PWs) bands (ev): -23.8345 -23.8345 -23.6877 -23.6877 -21.2559 -21.2559 -21.0606 -21.0606 -15.1728 -15.1728 -9.8842 -9.8842 -9.6257 -9.6257 -8.2136 -8.2136 -5.9123 -5.9123 -5.7564 -5.7564 -4.6091 -4.6091 -0.6145 -0.6145 -0.4846 -0.4846 -0.4336 -0.4336 3.5298 3.5298 k = 0.3818-0.9471 0.1658 ( 11594 PWs) bands (ev): -23.8406 -23.8406 -23.6941 -23.6941 -21.2571 -21.2571 -21.0618 -21.0618 -15.2006 -15.2006 -9.8813 -9.8813 -9.6226 -9.6226 -8.1812 -8.1812 -5.8775 -5.8775 -5.7217 -5.7217 -4.7090 -4.7090 -0.6653 -0.6653 -0.5419 -0.5419 -0.2748 -0.2748 3.4181 3.4181 k = 0.3727-0.9246 0.1619 ( 11599 PWs) bands (ev): -23.8472 -23.8472 -23.7010 -23.7010 -21.2584 -21.2584 -21.0631 -21.0631 -15.2299 -15.2299 -9.8782 -9.8782 -9.6194 -9.6194 -8.1470 -8.1470 -5.8404 -5.8404 -5.6846 -5.6846 -4.8078 -4.8078 -0.7229 -0.7229 -0.6022 -0.6022 -0.1068 -0.1068 3.3073 3.3073 k = 0.3636-0.9020 0.1579 ( 11592 PWs) bands (ev): -23.8541 -23.8541 -23.7081 -23.7081 -21.2598 -21.2598 -21.0645 -21.0645 -15.2605 -15.2605 -9.8749 -9.8749 -9.6160 -9.6160 -8.1113 -8.1113 -5.8008 -5.8008 -5.6451 -5.6451 -4.9053 -4.9053 -0.7835 -0.7835 -0.6644 -0.6644 0.0651 0.0651 3.1983 3.1983 k = 0.3545-0.8795 0.1540 ( 11593 PWs) bands (ev): -23.8613 -23.8613 -23.7157 -23.7157 -21.2612 -21.2612 -21.0660 -21.0660 -15.2925 -15.2925 -9.8714 -9.8714 -9.6125 -9.6125 -8.0742 -8.0742 -5.7589 -5.7589 -5.6033 -5.6033 -5.0011 -5.0011 -0.8459 -0.8459 -0.7281 -0.7281 0.2394 0.2394 3.0921 3.0921 k = 0.3455-0.8569 0.1500 ( 11597 PWs) bands (ev): -23.8689 -23.8689 -23.7236 -23.7236 -21.2627 -21.2627 -21.0676 -21.0676 -15.3255 -15.3255 -9.8678 -9.8678 -9.6088 -9.6088 -8.0358 -8.0358 -5.7147 -5.7147 -5.5592 -5.5592 -5.0949 -5.0949 -0.9098 -0.9098 -0.7929 -0.7929 0.4152 0.4152 2.9892 2.9892 k = 0.3364-0.8344 0.1461 ( 11595 PWs) bands (ev): -23.8768 -23.8768 -23.7318 -23.7318 -21.2643 -21.2643 -21.0691 -21.0691 -15.3595 -15.3595 -9.8640 -9.8640 -9.6049 -9.6049 -7.9965 -7.9965 -5.6684 -5.6684 -5.5130 -5.5130 -5.1866 -5.1866 -0.9749 -0.9749 -0.8586 -0.8586 0.5912 0.5912 2.8907 2.8907 k = 0.3273-0.8118 0.1421 ( 11598 PWs) bands (ev): -23.8850 -23.8850 -23.7403 -23.7403 -21.2658 -21.2658 -21.0708 -21.0708 -15.3944 -15.3944 -9.8601 -9.8601 -9.6009 -9.6009 -7.9563 -7.9563 -5.6200 -5.6200 -5.4647 -5.4647 -5.2760 -5.2760 -1.0408 -1.0408 -0.9250 -0.9250 0.7660 0.7660 2.7975 2.7975 k = 0.3182-0.7893 0.1382 ( 11592 PWs) bands (ev): -23.8933 -23.8933 -23.7489 -23.7489 -21.2675 -21.2675 -21.0725 -21.0725 -15.4299 -15.4299 -9.8560 -9.8560 -9.5967 -9.5967 -7.9156 -7.9156 -5.5697 -5.5697 -5.4145 -5.4145 -5.3628 -5.3628 -1.1074 -1.1074 -0.9920 -0.9920 0.9375 0.9375 2.7110 2.7110 k = 0.3091-0.7667 0.1342 ( 11595 PWs) bands (ev): -23.9018 -23.9018 -23.7578 -23.7578 -21.2692 -21.2692 -21.0742 -21.0742 -15.4661 -15.4661 -9.8519 -9.8519 -9.5925 -9.5925 -7.8744 -7.8744 -5.5176 -5.5176 -5.4469 -5.4469 -5.3623 -5.3623 -1.1744 -1.1744 -1.0592 -1.0592 1.1026 1.1026 2.6332 2.6332 k = 0.3000-0.7442 0.1303 ( 11591 PWs) bands (ev): -23.9105 -23.9105 -23.7668 -23.7668 -21.2709 -21.2709 -21.0760 -21.0760 -15.5026 -15.5026 -9.8477 -9.8477 -9.5881 -9.5881 -7.8330 -7.8330 -5.5289 -5.5289 -5.4628 -5.4628 -5.3083 -5.3083 -1.2418 -1.2418 -1.1265 -1.1265 1.2569 1.2569 2.5664 2.5664 k = 0.2909-0.7216 0.1263 ( 11587 PWs) bands (ev): -23.9193 -23.9193 -23.7760 -23.7760 -21.2727 -21.2727 -21.0778 -21.0778 -15.5395 -15.5395 -9.8434 -9.8434 -9.5837 -9.5837 -7.7917 -7.7917 -5.6072 -5.6072 -5.4072 -5.4072 -5.2527 -5.2527 -1.3092 -1.3092 -1.1939 -1.1939 1.3934 1.3934 2.5132 2.5132 k = 0.2818-0.6991 0.1224 ( 11581 PWs) bands (ev): -23.9283 -23.9283 -23.7853 -23.7853 -21.2745 -21.2745 -21.0796 -21.0796 -15.5765 -15.5765 -9.8390 -9.8390 -9.5792 -9.5792 -7.7506 -7.7506 -5.6827 -5.6827 -5.3499 -5.3499 -5.1956 -5.1956 -1.3766 -1.3766 -1.2611 -1.2611 1.5030 1.5030 2.4735 2.4735 k = 0.2727-0.6765 0.1184 ( 11568 PWs) bands (ev): -23.9372 -23.9372 -23.7946 -23.7946 -21.2763 -21.2763 -21.0814 -21.0814 -15.6135 -15.6135 -9.8346 -9.8346 -9.5747 -9.5747 -7.7100 -7.7100 -5.7550 -5.7550 -5.2909 -5.2909 -5.1369 -5.1369 -1.4439 -1.4439 -1.3282 -1.3282 1.5768 1.5768 2.4385 2.4385 k = 0.2636-0.6540 0.1145 ( 11571 PWs) bands (ev): -23.9464 -23.9464 -23.8041 -23.8041 -21.2781 -21.2781 -21.0833 -21.0833 -15.6505 -15.6505 -9.8301 -9.8301 -9.5701 -9.5701 -7.6703 -7.6703 -5.8239 -5.8239 -5.2306 -5.2306 -5.0768 -5.0768 -1.5110 -1.5110 -1.3949 -1.3949 1.6114 1.6114 2.3947 2.3947 k = 0.2545-0.6314 0.1106 ( 11571 PWs) bands (ev): -23.9555 -23.9555 -23.8136 -23.8136 -21.2799 -21.2799 -21.0852 -21.0852 -15.6873 -15.6873 -9.8256 -9.8256 -9.5655 -9.5655 -7.6315 -7.6315 -5.8894 -5.8894 -5.1690 -5.1690 -5.0155 -5.0155 -1.5778 -1.5778 -1.4613 -1.4613 1.6117 1.6117 2.3394 2.3394 k = 0.2455-0.6089 0.1066 ( 11570 PWs) bands (ev): -23.9647 -23.9647 -23.8231 -23.8231 -21.2817 -21.2817 -21.0870 -21.0870 -15.7238 -15.7238 -9.8211 -9.8211 -9.5608 -9.5608 -7.5940 -7.5940 -5.9514 -5.9514 -5.1062 -5.1062 -4.9531 -4.9531 -1.6442 -1.6442 -1.5273 -1.5273 1.5876 1.5876 2.2777 2.2777 k = 0.2364-0.5863 0.1027 ( 11564 PWs) bands (ev): -23.9738 -23.9738 -23.8325 -23.8325 -21.2835 -21.2835 -21.0889 -21.0889 -15.7599 -15.7599 -9.8166 -9.8166 -9.5562 -9.5562 -7.5581 -7.5581 -6.0095 -6.0095 -5.0423 -5.0423 -4.8896 -4.8896 -1.7102 -1.7102 -1.5928 -1.5928 1.5480 1.5480 2.2137 2.2137 k = 0.2273-0.5638 0.0987 ( 11558 PWs) bands (ev): -23.9828 -23.9828 -23.8419 -23.8419 -21.2853 -21.2853 -21.0907 -21.0907 -15.7955 -15.7955 -9.8121 -9.8121 -9.5516 -9.5516 -7.5240 -7.5240 -6.0637 -6.0637 -4.9774 -4.9774 -4.8252 -4.8252 -1.7757 -1.7757 -1.6578 -1.6578 1.4994 1.4994 2.1494 2.1494 k = 0.2182-0.5412 0.0948 ( 11554 PWs) bands (ev): -23.9917 -23.9917 -23.8512 -23.8512 -21.2871 -21.2871 -21.0926 -21.0926 -15.8304 -15.8304 -9.8077 -9.8077 -9.5471 -9.5471 -7.4921 -7.4921 -6.1138 -6.1138 -4.9117 -4.9117 -4.7599 -4.7599 -1.8407 -1.8407 -1.7223 -1.7223 1.4459 1.4459 2.0860 2.0860 k = 0.2091-0.5187 0.0908 ( 11548 PWs) bands (ev): -24.0004 -24.0004 -23.8603 -23.8603 -21.2889 -21.2889 -21.0944 -21.0944 -15.8646 -15.8646 -9.8033 -9.8033 -9.5426 -9.5426 -7.4625 -7.4625 -6.1597 -6.1597 -4.8452 -4.8452 -4.6939 -4.6939 -1.9052 -1.9052 -1.7862 -1.7862 1.3901 1.3901 2.0241 2.0241 k = 0.2000-0.4961 0.0869 ( 11541 PWs) bands (ev): -24.0091 -24.0091 -23.8692 -23.8692 -21.2906 -21.2906 -21.0962 -21.0962 -15.8981 -15.8981 -9.7990 -9.7990 -9.5381 -9.5381 -7.4357 -7.4357 -6.2011 -6.2011 -4.7781 -4.7781 -4.6274 -4.6274 -1.9692 -1.9692 -1.8496 -1.8496 1.3336 1.3336 1.9640 1.9640 k = 0.1909-0.4736 0.0829 ( 11548 PWs) bands (ev): -24.0176 -24.0176 -23.8781 -23.8781 -21.2924 -21.2924 -21.0980 -21.0980 -15.9306 -15.9306 -9.7948 -9.7948 -9.5338 -9.5338 -7.4119 -7.4119 -6.2380 -6.2380 -4.7104 -4.7104 -4.5603 -4.5603 -2.0326 -2.0326 -1.9124 -1.9124 1.2774 1.2774 1.9061 1.9061 k = 0.1818-0.4510 0.0790 ( 11543 PWs) bands (ev): -24.0258 -24.0258 -23.8866 -23.8866 -21.2941 -21.2941 -21.0997 -21.0997 -15.9622 -15.9622 -9.7906 -9.7906 -9.5295 -9.5295 -7.3911 -7.3911 -6.2702 -6.2702 -4.6423 -4.6423 -4.4928 -4.4928 -2.0955 -2.0955 -1.9747 -1.9747 1.2223 1.2223 1.8505 1.8505 k = 0.1727-0.4285 0.0750 ( 11532 PWs) bands (ev): -24.0338 -24.0338 -23.8949 -23.8949 -21.2957 -21.2957 -21.1014 -21.1014 -15.9927 -15.9927 -9.7866 -9.7866 -9.5254 -9.5254 -7.3737 -7.3737 -6.2978 -6.2978 -4.5738 -4.5738 -4.4251 -4.4251 -2.1579 -2.1579 -2.0365 -2.0365 1.1688 1.1688 1.7972 1.7972 k = 0.1636-0.4059 0.0711 ( 11529 PWs) bands (ev): -24.0416 -24.0416 -23.9030 -23.9030 -21.2973 -21.2973 -21.1030 -21.1030 -16.0221 -16.0221 -9.7826 -9.7826 -9.5213 -9.5213 -7.3597 -7.3597 -6.3208 -6.3208 -4.5051 -4.5051 -4.3571 -4.3571 -2.2197 -2.2197 -2.0978 -2.0978 1.1172 1.1172 1.7464 1.7464 k = 0.1545-0.3834 0.0671 ( 11520 PWs) bands (ev): -24.0490 -24.0490 -23.9107 -23.9107 -21.2988 -21.2988 -21.1046 -21.1046 -16.0503 -16.0503 -9.7788 -9.7788 -9.5174 -9.5174 -7.3490 -7.3490 -6.3392 -6.3392 -4.4363 -4.4363 -4.2891 -4.2891 -2.2811 -2.2811 -2.1586 -2.1586 1.0677 1.0677 1.6982 1.6982 k = 0.1455-0.3608 0.0632 ( 11513 PWs) bands (ev): -24.0561 -24.0561 -23.9181 -23.9181 -21.3003 -21.3003 -21.1061 -21.1061 -16.0772 -16.0772 -9.7752 -9.7752 -9.5137 -9.5137 -7.3415 -7.3415 -6.3534 -6.3534 -4.3675 -4.3675 -4.2210 -4.2210 -2.3421 -2.3421 -2.2190 -2.2190 1.0205 1.0205 1.6525 1.6525 k = 0.1364-0.3383 0.0592 ( 11515 PWs) bands (ev): -24.0630 -24.0630 -23.9253 -23.9253 -21.3017 -21.3017 -21.1075 -21.1075 -16.1028 -16.1028 -9.7717 -9.7717 -9.5101 -9.5101 -7.3370 -7.3370 -6.3637 -6.3637 -4.2986 -4.2986 -4.1531 -4.1531 -2.4027 -2.4027 -2.2790 -2.2790 0.9759 0.9759 1.6095 1.6095 k = 0.1273-0.3157 0.0553 ( 11510 PWs) bands (ev): -24.0695 -24.0695 -23.9321 -23.9321 -21.3030 -21.3030 -21.1089 -21.1089 -16.1270 -16.1270 -9.7684 -9.7684 -9.5067 -9.5067 -7.3352 -7.3352 -6.3704 -6.3704 -4.2300 -4.2300 -4.0853 -4.0853 -2.4629 -2.4629 -2.3387 -2.3387 0.9338 0.9338 1.5692 1.5692 k = 0.1182-0.2932 0.0513 ( 11510 PWs) bands (ev): -24.0758 -24.0758 -23.9385 -23.9385 -21.3043 -21.3043 -21.1102 -21.1102 -16.1498 -16.1498 -9.7652 -9.7652 -9.5035 -9.5035 -7.3358 -7.3358 -6.3740 -6.3740 -4.1615 -4.1615 -4.0178 -4.0178 -2.5228 -2.5228 -2.3980 -2.3980 0.8944 0.8944 1.5316 1.5316 k = 0.1091-0.2706 0.0474 ( 11501 PWs) bands (ev): -24.0815 -24.0815 -23.9445 -23.9445 -21.3055 -21.3055 -21.1114 -21.1114 -16.1710 -16.1710 -9.7623 -9.7623 -9.5004 -9.5004 -7.3382 -7.3382 -6.3751 -6.3751 -4.0933 -4.0933 -3.9506 -3.9506 -2.5825 -2.5825 -2.4570 -2.4570 0.8577 0.8577 1.4967 1.4967 k = 0.1000-0.2481 0.0434 ( 11497 PWs) bands (ev): -24.0869 -24.0869 -23.9501 -23.9501 -21.3066 -21.3066 -21.1125 -21.1125 -16.1908 -16.1908 -9.7595 -9.7595 -9.4976 -9.4976 -7.3421 -7.3421 -6.3740 -6.3740 -4.0254 -4.0254 -3.8839 -3.8839 -2.6420 -2.6420 -2.5159 -2.5159 0.8239 0.8239 1.4646 1.4646 k = 0.0909-0.2255 0.0395 ( 11500 PWs) bands (ev): -24.0919 -24.0919 -23.9553 -23.9553 -21.3076 -21.3076 -21.1136 -21.1136 -16.2090 -16.2090 -9.7570 -9.7570 -9.4950 -9.4950 -7.3471 -7.3471 -6.3715 -6.3715 -3.9580 -3.9580 -3.8176 -3.8176 -2.7013 -2.7013 -2.5745 -2.5745 0.7928 0.7928 1.4352 1.4352 k = 0.0818-0.2030 0.0355 ( 11495 PWs) bands (ev): -24.0965 -24.0965 -23.9601 -23.9601 -21.3085 -21.3085 -21.1145 -21.1145 -16.2255 -16.2255 -9.7546 -9.7546 -9.4926 -9.4926 -7.3527 -7.3527 -6.3678 -6.3678 -3.8911 -3.8911 -3.7518 -3.7518 -2.7605 -2.7605 -2.6330 -2.6330 0.7647 0.7647 1.4086 1.4086 k = 0.0727-0.1804 0.0316 ( 11496 PWs) bands (ev): -24.1006 -24.1006 -23.9643 -23.9643 -21.3094 -21.3094 -21.1154 -21.1154 -16.2404 -16.2404 -9.7525 -9.7525 -9.4904 -9.4904 -7.3587 -7.3587 -6.3634 -6.3634 -3.8247 -3.8247 -3.6866 -3.6866 -2.8197 -2.8197 -2.6913 -2.6913 0.7394 0.7394 1.3848 1.3848 k = 0.0636-0.1579 0.0276 ( 11495 PWs) bands (ev): -24.1043 -24.1043 -23.9682 -23.9682 -21.3101 -21.3101 -21.1162 -21.1162 -16.2536 -16.2536 -9.7507 -9.7507 -9.4885 -9.4885 -7.3646 -7.3646 -6.3586 -6.3586 -3.7589 -3.7589 -3.6222 -3.6222 -2.8789 -2.8789 -2.7496 -2.7496 0.7171 0.7171 1.3638 1.3638 k = 0.0545-0.1353 0.0237 ( 11495 PWs) bands (ev): -24.1075 -24.1075 -23.9715 -23.9715 -21.3108 -21.3108 -21.1169 -21.1169 -16.2651 -16.2651 -9.7490 -9.7490 -9.4868 -9.4868 -7.3703 -7.3703 -6.3539 -6.3539 -3.6938 -3.6938 -3.5585 -3.5585 -2.9380 -2.9380 -2.8077 -2.8077 0.6978 0.6978 1.3456 1.3456 k = 0.0455-0.1128 0.0197 ( 11495 PWs) bands (ev): -24.1102 -24.1102 -23.9743 -23.9743 -21.3114 -21.3114 -21.1174 -21.1174 -16.2749 -16.2749 -9.7476 -9.7476 -9.4854 -9.4854 -7.3754 -7.3754 -6.3495 -6.3495 -3.6295 -3.6295 -3.4958 -3.4958 -2.9972 -2.9972 -2.8657 -2.8657 0.6813 0.6813 1.3302 1.3302 k = 0.0364-0.0902 0.0158 ( 11490 PWs) bands (ev): -24.1124 -24.1124 -23.9766 -23.9766 -21.3118 -21.3118 -21.1179 -21.1179 -16.2830 -16.2830 -9.7465 -9.7465 -9.4842 -9.4842 -7.3799 -7.3799 -6.3456 -6.3456 -3.5662 -3.5662 -3.4342 -3.4342 -3.0562 -3.0562 -2.9232 -2.9232 0.6679 0.6679 1.3176 1.3176 k = 0.0273-0.0677 0.0118 ( 11480 PWs) bands (ev): -24.1141 -24.1141 -23.9783 -23.9783 -21.3121 -21.3121 -21.1182 -21.1182 -16.2892 -16.2892 -9.7456 -9.7456 -9.4833 -9.4833 -7.3835 -7.3835 -6.3424 -6.3424 -3.5042 -3.5042 -3.3745 -3.3745 -3.1148 -3.1148 -2.9797 -2.9797 0.6574 0.6574 1.3078 1.3078 k = 0.0182-0.0451 0.0079 ( 11476 PWs) bands (ev): -24.1153 -24.1153 -23.9795 -23.9795 -21.3123 -21.3123 -21.1184 -21.1184 -16.2937 -16.2937 -9.7449 -9.7449 -9.4826 -9.4826 -7.3862 -7.3862 -6.3400 -6.3400 -3.4446 -3.4446 -3.3181 -3.3181 -3.1718 -3.1718 -3.0339 -3.0339 0.6499 0.6499 1.3008 1.3008 k = 0.0091-0.0226 0.0039 ( 11473 PWs) bands (ev): -24.1160 -24.1160 -23.9803 -23.9803 -21.3125 -21.3125 -21.1186 -21.1186 -16.2964 -16.2964 -9.7445 -9.7445 -9.4822 -9.4822 -7.3878 -7.3878 -6.3385 -6.3385 -3.3911 -3.3911 -3.2704 -3.2704 -3.2233 -3.2233 -3.0807 -3.0807 0.6455 0.6455 1.2966 1.2966 k = 0.0000 0.0000 0.0000 ( 11475 PWs) bands (ev): -24.1163 -24.1163 -23.9806 -23.9806 -21.3126 -21.3126 -21.1187 -21.1187 -16.2973 -16.2973 -9.7444 -9.7444 -9.4821 -9.4821 -7.3883 -7.3883 -6.3380 -6.3380 -3.3632 -3.3632 -3.2554 -3.2554 -3.2429 -3.2429 -3.1030 -3.1030 0.6440 0.6440 1.2952 1.2952 Writing output data file Cu.save init_run : 0.44s CPU 0.69s WALL ( 1 calls) electrons : 260.08s CPU 262.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 260.08s CPU 262.89s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 388 calls) cegterg : 239.46s CPU 241.66s WALL ( 809 calls) Called by sum_band: Called by *egterg: h_psi : 167.23s CPU 169.37s WALL ( 13556 calls) s_psi : 2.13s CPU 2.11s WALL ( 13556 calls) g_psi : 0.19s CPU 0.23s WALL ( 12359 calls) cdiaghg : 68.52s CPU 69.04s WALL ( 12747 calls) cegterg:over : 6.26s CPU 6.23s WALL ( 12359 calls) cegterg:upda : 5.88s CPU 5.81s WALL ( 12359 calls) cegterg:last : 2.41s CPU 2.46s WALL ( 1585 calls) cdiaghg:chol : 2.99s CPU 3.07s WALL ( 12747 calls) cdiaghg:inve : 0.58s CPU 0.56s WALL ( 12747 calls) cdiaghg:para : 4.08s CPU 4.10s WALL ( 25494 calls) Called by h_psi: h_psi:vloc : 161.42s CPU 163.62s WALL ( 13556 calls) h_psi:vnl : 5.64s CPU 5.55s WALL ( 13556 calls) add_vuspsi : 2.56s CPU 2.62s WALL ( 13556 calls) General routines calbec : 3.04s CPU 2.90s WALL ( 13556 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 154.35s CPU 156.43s WALL ( 578448 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.20s WALL ( 776 calls) Parallel routines fft_scatter : 72.16s CPU 73.85s WALL ( 578471 calls) PWSCF : 4m49.46s CPU 5m18.92s WALL This run was terminated on: 16:16:54 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=