Program PWSCF v.5.1.1 starts on 27Jun2015 at 7: 6:14 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./WS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 26 7 915 419 68 Max 44 27 8 918 436 71 Sum 2103 1251 373 44015 20353 3343 bravais-lattice index = 14 lattice parameter (alat) = 12.1460 a.u. unit-cell volume = 359.2254 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.145955 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.879294 celldm(5)= 0.879294 celldm(6)= 0.879294 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.879294 0.476279 0.000000 ) a(3) = ( 0.879294 0.222844 0.420930 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.846173 -1.111550 ) b(2) = ( 0.000000 2.099609 -1.111550 ) b(3) = ( 0.000000 0.000000 2.375689 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 2 for W read from file: /home/autes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 S 6.00 32.06500 S( 1.00) W 14.00 183.84000 W( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0084746 -0.0156455 -0.0094199), wk = 0.0026525 k( 3) = ( 0.0169491 -0.0312911 -0.0188398), wk = 0.0026525 k( 4) = ( 0.0254237 -0.0469366 -0.0282598), wk = 0.0026525 k( 5) = ( 0.0338983 -0.0625822 -0.0376797), wk = 0.0026525 k( 6) = ( 0.0423729 -0.0782277 -0.0470996), wk = 0.0026525 k( 7) = ( 0.0508475 -0.0938732 -0.0565195), wk = 0.0026525 k( 8) = ( 0.0593220 -0.1095188 -0.0659394), wk = 0.0026525 k( 9) = ( 0.0677966 -0.1251643 -0.0753593), wk = 0.0026525 k( 10) = ( 0.0762712 -0.1408098 -0.0847793), wk = 0.0026525 k( 11) = ( 0.0847458 -0.1564554 -0.0941992), wk = 0.0026525 k( 12) = ( 0.0932203 -0.1721009 -0.1036191), wk = 0.0026525 k( 13) = ( 0.1016949 -0.1877465 -0.1130390), wk = 0.0026525 k( 14) = ( 0.1101695 -0.2033920 -0.1224589), wk = 0.0026525 k( 15) = ( 0.1186441 -0.2190375 -0.1318788), wk = 0.0026525 k( 16) = ( 0.1271186 -0.2346831 -0.1412987), wk = 0.0026525 k( 17) = ( 0.1355932 -0.2503286 -0.1507187), wk = 0.0026525 k( 18) = ( 0.1440678 -0.2659741 -0.1601386), wk = 0.0026525 k( 19) = ( 0.1525424 -0.2816197 -0.1695585), wk = 0.0026525 k( 20) = ( 0.1610169 -0.2972652 -0.1789784), wk = 0.0026525 k( 21) = ( 0.1694915 -0.3129108 -0.1883983), wk = 0.0026525 k( 22) = ( 0.1779661 -0.3285563 -0.1978182), wk = 0.0026525 k( 23) = ( 0.1864407 -0.3442018 -0.2072382), wk = 0.0026525 k( 24) = ( 0.1949153 -0.3598474 -0.2166581), wk = 0.0026525 k( 25) = ( 0.2033898 -0.3754929 -0.2260780), wk = 0.0026525 k( 26) = ( 0.2118644 -0.3911384 -0.2354979), wk = 0.0026525 k( 27) = ( 0.2203390 -0.4067840 -0.2449178), wk = 0.0026525 k( 28) = ( 0.2288136 -0.4224295 -0.2543377), wk = 0.0026525 k( 29) = ( 0.2372881 -0.4380751 -0.2637577), wk = 0.0026525 k( 30) = ( 0.2457627 -0.4537206 -0.2731776), wk = 0.0026525 k( 31) = ( 0.2542373 -0.4693661 -0.2825975), wk = 0.0026525 k( 32) = ( 0.2627119 -0.4850117 -0.2920174), wk = 0.0026525 k( 33) = ( 0.2711864 -0.5006572 -0.3014373), wk = 0.0026525 k( 34) = ( 0.2796610 -0.5163027 -0.3108573), wk = 0.0026525 k( 35) = ( 0.2881356 -0.5319483 -0.3202772), wk = 0.0026525 k( 36) = ( 0.2966102 -0.5475938 -0.3296971), wk = 0.0026525 k( 37) = ( 0.3050848 -0.5632394 -0.3391170), wk = 0.0026525 k( 38) = ( 0.3135593 -0.5788849 -0.3485369), wk = 0.0026525 k( 39) = ( 0.3220339 -0.5945304 -0.3579568), wk = 0.0026525 k( 40) = ( 0.3305085 -0.6101760 -0.3673767), wk = 0.0026525 k( 41) = ( 0.3389831 -0.6258215 -0.3767967), wk = 0.0026525 k( 42) = ( 0.3474576 -0.6414670 -0.3862166), wk = 0.0026525 k( 43) = ( 0.3559322 -0.6571126 -0.3956365), wk = 0.0026525 k( 44) = ( 0.3644068 -0.6727581 -0.4050564), wk = 0.0026525 k( 45) = ( 0.3728814 -0.6884037 -0.4144763), wk = 0.0026525 k( 46) = ( 0.3813559 -0.7040492 -0.4238962), wk = 0.0026525 k( 47) = ( 0.3898305 -0.7196947 -0.4333162), wk = 0.0026525 k( 48) = ( 0.3983051 -0.7353403 -0.4427361), wk = 0.0026525 k( 49) = ( 0.4067797 -0.7509858 -0.4521560), wk = 0.0026525 k( 50) = ( 0.4152542 -0.7666313 -0.4615759), wk = 0.0026525 k( 51) = ( 0.4237288 -0.7822769 -0.4709958), wk = 0.0026525 k( 52) = ( 0.4322034 -0.7979224 -0.4804157), wk = 0.0026525 k( 53) = ( 0.4406780 -0.8135680 -0.4898357), wk = 0.0026525 k( 54) = ( 0.4491525 -0.8292135 -0.4992556), wk = 0.0026525 k( 55) = ( 0.4576271 -0.8448590 -0.5086755), wk = 0.0026525 k( 56) = ( 0.4661017 -0.8605046 -0.5180954), wk = 0.0026525 k( 57) = ( 0.4745763 -0.8761501 -0.5275153), wk = 0.0026525 k( 58) = ( 0.4830508 -0.8917957 -0.5369352), wk = 0.0026525 k( 59) = ( 0.4915254 -0.9074412 -0.5463552), wk = 0.0026525 k( 60) = ( 0.5000000 -0.9230867 -0.5557751), wk = 0.0026525 k( 61) = ( 0.5000000 -0.9230867 -0.5557751), wk = 0.0026525 k( 62) = ( 0.5000000 -0.9128013 -0.5728581), wk = 0.0026525 k( 63) = ( 0.5000000 -0.9025160 -0.5899410), wk = 0.0026525 k( 64) = ( 0.5000000 -0.8922306 -0.6070240), wk = 0.0026525 k( 65) = ( 0.5000000 -0.8819452 -0.6241069), wk = 0.0026525 k( 66) = ( 0.5000000 -0.8716599 -0.6411899), wk = 0.0026525 k( 67) = ( 0.5000000 -0.8613745 -0.6582729), wk = 0.0026525 k( 68) = ( 0.5000000 -0.8510892 -0.6753558), wk = 0.0026525 k( 69) = ( 0.5000000 -0.8408038 -0.6924388), wk = 0.0026525 k( 70) = ( 0.5000000 -0.8305184 -0.7095218), wk = 0.0026525 k( 71) = ( 0.5000000 -0.8202331 -0.7266047), wk = 0.0026525 k( 72) = ( 0.5000000 -0.8099477 -0.7436877), wk = 0.0026525 k( 73) = ( 0.5000000 -0.7996623 -0.7607706), wk = 0.0026525 k( 74) = ( 0.5000000 -0.7893770 -0.7778536), wk = 0.0026525 k( 75) = ( 0.5000000 -0.7790916 -0.7949366), wk = 0.0026525 k( 76) = ( 0.5000000 -0.7688062 -0.8120195), wk = 0.0026525 k( 77) = ( 0.5000000 -0.7585209 -0.8291025), wk = 0.0026525 k( 78) = ( 0.5000000 -0.7482355 -0.8461854), wk = 0.0026525 k( 79) = ( 0.5000000 -0.7379501 -0.8632684), wk = 0.0026525 k( 80) = ( 0.5000000 -0.7276648 -0.8803514), wk = 0.0026525 k( 81) = ( 0.5000000 -0.7173794 -0.8974343), wk = 0.0026525 k( 82) = ( 0.5000000 -0.7070940 -0.9145173), wk = 0.0026525 k( 83) = ( 0.5000000 -0.6968087 -0.9316003), wk = 0.0026525 k( 84) = ( 0.5000000 -0.6865233 -0.9486832), wk = 0.0026525 k( 85) = ( 0.5000000 -0.6762379 -0.9657662), wk = 0.0026525 k( 86) = ( 0.5000000 -0.6659526 -0.9828491), wk = 0.0026525 k( 87) = ( 0.5000000 -0.6556672 -0.9999321), wk = 0.0026525 k( 88) = ( 0.5000000 -0.6453818 -1.0170151), wk = 0.0026525 k( 89) = ( 0.5000000 -0.6350965 -1.0340980), wk = 0.0026525 k( 90) = ( 0.5000000 -0.6248111 -1.0511810), wk = 0.0026525 k( 91) = ( 0.5000000 -0.6145257 -1.0682640), wk = 0.0026525 k( 92) = ( 0.5000000 -0.6042404 -1.0853469), wk = 0.0026525 k( 93) = ( 0.5000000 -0.5939550 -1.1024299), wk = 0.0026525 k( 94) = ( 0.5000000 -0.5836696 -1.1195128), wk = 0.0026525 k( 95) = ( 0.5000000 -0.5733843 -1.1365958), wk = 0.0026525 k( 96) = ( 0.5000000 -0.5630989 -1.1536788), wk = 0.0026525 k( 97) = ( 0.5000000 -0.5528135 -1.1707617), wk = 0.0026525 k( 98) = ( 0.5000000 -0.5425282 -1.1878447), wk = 0.0026525 k( 99) = ( 0.8187479 -0.4617462 -1.0352556), wk = 0.0026525 k( 100) = ( 0.8137674 -0.4525515 -1.0178877), wk = 0.0026525 k( 101) = ( 0.8087870 -0.4433567 -1.0005197), wk = 0.0026525 k( 102) = ( 0.8038066 -0.4341620 -0.9831517), wk = 0.0026525 k( 103) = ( 0.7988261 -0.4249673 -0.9657837), wk = 0.0026525 k( 104) = ( 0.7938457 -0.4157725 -0.9484158), wk = 0.0026525 k( 105) = ( 0.7888652 -0.4065778 -0.9310478), wk = 0.0026525 k( 106) = ( 0.7838848 -0.3973830 -0.9136798), wk = 0.0026525 k( 107) = ( 0.7789044 -0.3881883 -0.8963118), wk = 0.0026525 k( 108) = ( 0.7739239 -0.3789935 -0.8789439), wk = 0.0026525 k( 109) = ( 0.7689435 -0.3697988 -0.8615759), wk = 0.0026525 k( 110) = ( 0.7639631 -0.3606040 -0.8442079), wk = 0.0026525 k( 111) = ( 0.7589826 -0.3514093 -0.8268400), wk = 0.0026525 k( 112) = ( 0.7540022 -0.3422145 -0.8094720), wk = 0.0026525 k( 113) = ( 0.7490218 -0.3330198 -0.7921040), wk = 0.0026525 k( 114) = ( 0.7440413 -0.3238250 -0.7747360), wk = 0.0026525 k( 115) = ( 0.7390609 -0.3146303 -0.7573681), wk = 0.0026525 k( 116) = ( 0.7340805 -0.3054355 -0.7400001), wk = 0.0026525 k( 117) = ( 0.7291000 -0.2962408 -0.7226321), wk = 0.0026525 k( 118) = ( 0.7241196 -0.2870460 -0.7052642), wk = 0.0026525 k( 119) = ( 0.7191392 -0.2778513 -0.6878962), wk = 0.0026525 k( 120) = ( 0.7141587 -0.2686565 -0.6705282), wk = 0.0026525 k( 121) = ( 0.7091783 -0.2594618 -0.6531603), wk = 0.0026525 k( 122) = ( 0.7041979 -0.2502671 -0.6357923), wk = 0.0026525 k( 123) = ( 0.6992174 -0.2410723 -0.6184243), wk = 0.0026525 k( 124) = ( 0.6942370 -0.2318776 -0.6010563), wk = 0.0026525 k( 125) = ( 0.6892565 -0.2226828 -0.5836884), wk = 0.0026525 k( 126) = ( 0.6842761 -0.2134881 -0.5663204), wk = 0.0026525 k( 127) = ( 0.6792957 -0.2042933 -0.5489524), wk = 0.0026525 k( 128) = ( 0.6743152 -0.1950986 -0.5315845), wk = 0.0026525 k( 129) = ( 0.6693348 -0.1859038 -0.5142165), wk = 0.0026525 k( 130) = ( 0.6643544 -0.1767091 -0.4968485), wk = 0.0026525 k( 131) = ( 0.6593739 -0.1675143 -0.4794805), wk = 0.0026525 k( 132) = ( 0.6543935 -0.1583196 -0.4621126), wk = 0.0026525 k( 133) = ( 0.6494131 -0.1491248 -0.4447446), wk = 0.0026525 k( 134) = ( 0.6444326 -0.1399301 -0.4273766), wk = 0.0026525 k( 135) = ( 0.6394522 -0.1307353 -0.4100087), wk = 0.0026525 k( 136) = ( 0.6344718 -0.1215406 -0.3926407), wk = 0.0026525 k( 137) = ( 0.6294913 -0.1123458 -0.3752727), wk = 0.0026525 k( 138) = ( 0.6245109 -0.1031511 -0.3579047), wk = 0.0026525 k( 139) = ( 0.6195304 -0.0939564 -0.3405368), wk = 0.0026525 k( 140) = ( 0.6145500 -0.0847616 -0.3231688), wk = 0.0026525 k( 141) = ( 0.6095696 -0.0755669 -0.3058008), wk = 0.0026525 k( 142) = ( 0.6045891 -0.0663721 -0.2884328), wk = 0.0026525 k( 143) = ( 0.5996087 -0.0571774 -0.2710649), wk = 0.0026525 k( 144) = ( 0.5946283 -0.0479826 -0.2536969), wk = 0.0026525 k( 145) = ( 0.5896478 -0.0387879 -0.2363290), wk = 0.0026525 k( 146) = ( 0.5846674 -0.0295931 -0.2189610), wk = 0.0026525 k( 147) = ( 0.5796870 -0.0203984 -0.2015930), wk = 0.0026525 k( 148) = ( 0.5747065 -0.0112036 -0.1842250), wk = 0.0026525 k( 149) = ( 0.5697261 -0.0020089 -0.1668571), wk = 0.0026525 k( 150) = ( 0.5647457 0.0071859 -0.1494891), wk = 0.0026525 k( 151) = ( 0.5597652 0.0163806 -0.1321211), wk = 0.0026525 k( 152) = ( 0.5547848 0.0255754 -0.1147531), wk = 0.0026525 k( 153) = ( 0.5498044 0.0347701 -0.0973852), wk = 0.0026525 k( 154) = ( 0.5448239 0.0439649 -0.0800172), wk = 0.0026525 k( 155) = ( 0.5398435 0.0531596 -0.0626492), wk = 0.0026525 k( 156) = ( 0.5348631 0.0623544 -0.0452813), wk = 0.0026525 k( 157) = ( 0.5298826 0.0715491 -0.0279133), wk = 0.0026525 k( 158) = ( 0.5249022 0.0807438 -0.0105453), wk = 0.0026525 k( 159) = ( 0.5199217 0.0899386 0.0068227), wk = 0.0026525 k( 160) = ( 0.5149413 0.0991333 0.0241906), wk = 0.0026525 k( 161) = ( 0.5099609 0.1083281 0.0415586), wk = 0.0026525 k( 162) = ( 0.5049804 0.1175228 0.0589266), wk = 0.0026525 k( 163) = ( 0.5000000 0.1267176 0.0762945), wk = 0.0026525 k( 164) = ( 0.5000000 0.1267176 0.0762945), wk = 0.0026525 k( 165) = ( 0.4807692 0.1218438 0.0733601), wk = 0.0026525 k( 166) = ( 0.4615385 0.1169701 0.0704257), wk = 0.0026525 k( 167) = ( 0.4423077 0.1120963 0.0674913), wk = 0.0026525 k( 168) = ( 0.4230769 0.1072226 0.0645569), wk = 0.0026525 k( 169) = ( 0.4038462 0.1023488 0.0616225), wk = 0.0026525 k( 170) = ( 0.3846154 0.0974751 0.0586881), wk = 0.0026525 k( 171) = ( 0.3653846 0.0926013 0.0557537), wk = 0.0026525 k( 172) = ( 0.3461538 0.0877276 0.0528193), wk = 0.0026525 k( 173) = ( 0.3269231 0.0828538 0.0498849), wk = 0.0026525 k( 174) = ( 0.3076923 0.0779801 0.0469505), wk = 0.0026525 k( 175) = ( 0.2884615 0.0731063 0.0440161), wk = 0.0026525 k( 176) = ( 0.2692308 0.0682325 0.0410817), wk = 0.0026525 k( 177) = ( 0.2500000 0.0633588 0.0381473), wk = 0.0026525 k( 178) = ( 0.2307692 0.0584850 0.0352129), wk = 0.0026525 k( 179) = ( 0.2115385 0.0536113 0.0322785), wk = 0.0026525 k( 180) = ( 0.1923077 0.0487375 0.0293441), wk = 0.0026525 k( 181) = ( 0.1730769 0.0438638 0.0264096), wk = 0.0026525 k( 182) = ( 0.1538461 0.0389900 0.0234752), wk = 0.0026525 k( 183) = ( 0.1346154 0.0341163 0.0205408), wk = 0.0026525 k( 184) = ( 0.1153846 0.0292425 0.0176064), wk = 0.0026525 k( 185) = ( 0.0961538 0.0243688 0.0146720), wk = 0.0026525 k( 186) = ( 0.0769231 0.0194950 0.0117376), wk = 0.0026525 k( 187) = ( 0.0576923 0.0146213 0.0088032), wk = 0.0026525 k( 188) = ( 0.0384615 0.0097475 0.0058688), wk = 0.0026525 k( 189) = ( 0.0192308 0.0048738 0.0029344), wk = 0.0026525 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 192) = ( 0.0050092 -0.0092479 -0.0174683), wk = 0.0026525 k( 193) = ( 0.0100184 -0.0184957 -0.0349366), wk = 0.0026525 k( 194) = ( 0.0150276 -0.0277436 -0.0524049), wk = 0.0026525 k( 195) = ( 0.0200368 -0.0369915 -0.0698732), wk = 0.0026525 k( 196) = ( 0.0250460 -0.0462393 -0.0873415), wk = 0.0026525 k( 197) = ( 0.0300552 -0.0554872 -0.1048098), wk = 0.0026525 k( 198) = ( 0.0350644 -0.0647351 -0.1222781), wk = 0.0026525 k( 199) = ( 0.0400737 -0.0739829 -0.1397465), wk = 0.0026525 k( 200) = ( 0.0450829 -0.0832308 -0.1572147), wk = 0.0026525 k( 201) = ( 0.0500921 -0.0924786 -0.1746830), wk = 0.0026525 k( 202) = ( 0.0551013 -0.1017265 -0.1921514), wk = 0.0026525 k( 203) = ( 0.0601105 -0.1109744 -0.2096196), wk = 0.0026525 k( 204) = ( 0.0651197 -0.1202222 -0.2270880), wk = 0.0026525 k( 205) = ( 0.0701289 -0.1294701 -0.2445563), wk = 0.0026525 k( 206) = ( 0.0751381 -0.1387180 -0.2620246), wk = 0.0026525 k( 207) = ( 0.0801473 -0.1479658 -0.2794929), wk = 0.0026525 k( 208) = ( 0.0851565 -0.1572137 -0.2969612), wk = 0.0026525 k( 209) = ( 0.0901657 -0.1664616 -0.3144295), wk = 0.0026525 k( 210) = ( 0.0951749 -0.1757094 -0.3318978), wk = 0.0026525 k( 211) = ( 0.1001841 -0.1849573 -0.3493661), wk = 0.0026525 k( 212) = ( 0.1051933 -0.1942052 -0.3668344), wk = 0.0026525 k( 213) = ( 0.1102025 -0.2034530 -0.3843027), wk = 0.0026525 k( 214) = ( 0.1152118 -0.2127009 -0.4017710), wk = 0.0026525 k( 215) = ( 0.1202210 -0.2219488 -0.4192393), wk = 0.0026525 k( 216) = ( 0.1252302 -0.2311966 -0.4367076), wk = 0.0026525 k( 217) = ( 0.1302394 -0.2404445 -0.4541759), wk = 0.0026525 k( 218) = ( 0.1352486 -0.2496924 -0.4716442), wk = 0.0026525 k( 219) = ( 0.1402578 -0.2589402 -0.4891125), wk = 0.0026525 k( 220) = ( 0.1452670 -0.2681881 -0.5065808), wk = 0.0026525 k( 221) = ( 0.1502762 -0.2774359 -0.5240491), wk = 0.0026525 k( 222) = ( 0.1552854 -0.2866838 -0.5415174), wk = 0.0026525 k( 223) = ( 0.1602946 -0.2959317 -0.5589857), wk = 0.0026525 k( 224) = ( 0.1653038 -0.3051795 -0.5764541), wk = 0.0026525 k( 225) = ( 0.1703130 -0.3144274 -0.5939223), wk = 0.0026525 k( 226) = ( 0.1753222 -0.3236753 -0.6113907), wk = 0.0026525 k( 227) = ( 0.1803315 -0.3329231 -0.6288590), wk = 0.0026525 k( 228) = ( 0.1853406 -0.3421710 -0.6463272), wk = 0.0026525 k( 229) = ( 0.1903499 -0.3514189 -0.6637956), wk = 0.0026525 k( 230) = ( 0.1953591 -0.3606667 -0.6812639), wk = 0.0026525 k( 231) = ( 0.2003683 -0.3699146 -0.6987322), wk = 0.0026525 k( 232) = ( 0.2053775 -0.3791624 -0.7162005), wk = 0.0026525 k( 233) = ( 0.2103867 -0.3884103 -0.7336688), wk = 0.0026525 k( 234) = ( 0.2153959 -0.3976582 -0.7511371), wk = 0.0026525 k( 235) = ( 0.2204051 -0.4069060 -0.7686054), wk = 0.0026525 k( 236) = ( 0.2254143 -0.4161539 -0.7860737), wk = 0.0026525 k( 237) = ( 0.2304235 -0.4254018 -0.8035420), wk = 0.0026525 k( 238) = ( 0.2354327 -0.4346496 -0.8210103), wk = 0.0026525 k( 239) = ( 0.2404419 -0.4438975 -0.8384786), wk = 0.0026525 k( 240) = ( 0.2454511 -0.4531454 -0.8559469), wk = 0.0026525 k( 241) = ( 0.2504603 -0.4623932 -0.8734152), wk = 0.0026525 k( 242) = ( 0.2554695 -0.4716411 -0.8908835), wk = 0.0026525 k( 243) = ( 0.2604788 -0.4808890 -0.9083518), wk = 0.0026525 k( 244) = ( 0.2654880 -0.4901368 -0.9258202), wk = 0.0026525 k( 245) = ( 0.2704972 -0.4993847 -0.9432884), wk = 0.0026525 k( 246) = ( 0.2755064 -0.5086326 -0.9607567), wk = 0.0026525 k( 247) = ( 0.2805156 -0.5178804 -0.9782251), wk = 0.0026525 k( 248) = ( 0.2855248 -0.5271283 -0.9956933), wk = 0.0026525 k( 249) = ( 0.2905340 -0.5363762 -1.0131617), wk = 0.0026525 k( 250) = ( 0.2955432 -0.5456240 -1.0306300), wk = 0.0026525 k( 251) = ( 0.3005524 -0.5548719 -1.0480983), wk = 0.0026525 k( 252) = ( 0.3055616 -0.5641197 -1.0655666), wk = 0.0026525 k( 253) = ( 0.3105708 -0.5733676 -1.0830349), wk = 0.0026525 k( 254) = ( 0.3155800 -0.5826155 -1.1005032), wk = 0.0026525 k( 255) = ( 0.3205892 -0.5918633 -1.1179715), wk = 0.0026525 k( 256) = ( 0.3255984 -0.6011112 -1.1354398), wk = 0.0026525 k( 257) = ( 0.3306076 -0.6103591 -1.1529081), wk = 0.0026525 k( 258) = ( 0.3356169 -0.6196069 -1.1703764), wk = 0.0026525 k( 259) = ( 0.3406261 -0.6288548 -1.1878447), wk = 0.0026525 k( 260) = ( 0.6593739 -0.5021372 -1.1115502), wk = 0.0026525 k( 261) = ( 0.6543935 -0.4824855 -1.1115502), wk = 0.0026525 k( 262) = ( 0.6494131 -0.4628338 -1.1115502), wk = 0.0026525 k( 263) = ( 0.6444326 -0.4431821 -1.1115502), wk = 0.0026525 k( 264) = ( 0.6394522 -0.4235304 -1.1115502), wk = 0.0026525 k( 265) = ( 0.6344718 -0.4038786 -1.1115502), wk = 0.0026525 k( 266) = ( 0.6294913 -0.3842269 -1.1115502), wk = 0.0026525 k( 267) = ( 0.6245109 -0.3645752 -1.1115502), wk = 0.0026525 k( 268) = ( 0.6195304 -0.3449235 -1.1115502), wk = 0.0026525 k( 269) = ( 0.6145500 -0.3252718 -1.1115502), wk = 0.0026525 k( 270) = ( 0.6095696 -0.3056201 -1.1115502), wk = 0.0026525 k( 271) = ( 0.6045891 -0.2859684 -1.1115502), wk = 0.0026525 k( 272) = ( 0.5996087 -0.2663167 -1.1115502), wk = 0.0026525 k( 273) = ( 0.5946283 -0.2466649 -1.1115502), wk = 0.0026525 k( 274) = ( 0.5896478 -0.2270132 -1.1115502), wk = 0.0026525 k( 275) = ( 0.5846674 -0.2073615 -1.1115502), wk = 0.0026525 k( 276) = ( 0.5796870 -0.1877098 -1.1115502), wk = 0.0026525 k( 277) = ( 0.5747065 -0.1680581 -1.1115502), wk = 0.0026525 k( 278) = ( 0.5697261 -0.1484064 -1.1115502), wk = 0.0026525 k( 279) = ( 0.5647457 -0.1287547 -1.1115502), wk = 0.0026525 k( 280) = ( 0.5597652 -0.1091029 -1.1115502), wk = 0.0026525 k( 281) = ( 0.5547848 -0.0894513 -1.1115502), wk = 0.0026525 k( 282) = ( 0.5498044 -0.0697995 -1.1115502), wk = 0.0026525 k( 283) = ( 0.5448239 -0.0501478 -1.1115502), wk = 0.0026525 k( 284) = ( 0.5398435 -0.0304961 -1.1115502), wk = 0.0026525 k( 285) = ( 0.5348631 -0.0108444 -1.1115502), wk = 0.0026525 k( 286) = ( 0.5298826 0.0088073 -1.1115502), wk = 0.0026525 k( 287) = ( 0.5249022 0.0284590 -1.1115502), wk = 0.0026525 k( 288) = ( 0.5199217 0.0481107 -1.1115502), wk = 0.0026525 k( 289) = ( 0.5149413 0.0677624 -1.1115502), wk = 0.0026525 k( 290) = ( 0.5099609 0.0874142 -1.1115502), wk = 0.0026525 k( 291) = ( 0.5049804 0.1070659 -1.1115502), wk = 0.0026525 k( 292) = ( 0.5000000 0.1267176 -1.1115502), wk = 0.0026525 k( 293) = ( 0.5000000 0.1267176 -1.1115502), wk = 0.0026525 k( 294) = ( 0.5177082 0.1312055 -1.1030730), wk = 0.0026525 k( 295) = ( 0.5354164 0.1356934 -1.0945958), wk = 0.0026525 k( 296) = ( 0.5531246 0.1401812 -1.0861186), wk = 0.0026525 k( 297) = ( 0.5708329 0.1446691 -1.0776415), wk = 0.0026525 k( 298) = ( 0.5885411 0.1491570 -1.0691643), wk = 0.0026525 k( 299) = ( 0.6062493 0.1536449 -1.0606871), wk = 0.0026525 k( 300) = ( 0.6239575 0.1581328 -1.0522100), wk = 0.0026525 k( 301) = ( 0.6416657 0.1626207 -1.0437328), wk = 0.0026525 k( 302) = ( 0.6593739 0.1671086 -1.0352556), wk = 0.0026525 k( 303) = ( 0.6593739 0.1671086 -1.0352556), wk = 0.0026525 k( 304) = ( 0.6564762 0.1663742 -1.0150456), wk = 0.0026525 k( 305) = ( 0.6535785 0.1656398 -0.9948356), wk = 0.0026525 k( 306) = ( 0.6506808 0.1649054 -0.9746256), wk = 0.0026525 k( 307) = ( 0.6477831 0.1641710 -0.9544156), wk = 0.0026525 k( 308) = ( 0.6448854 0.1634366 -0.9342056), wk = 0.0026525 k( 309) = ( 0.6419877 0.1627023 -0.9139956), wk = 0.0026525 k( 310) = ( 0.6390900 0.1619679 -0.8937856), wk = 0.0026525 k( 311) = ( 0.6361923 0.1612335 -0.8735756), wk = 0.0026525 k( 312) = ( 0.6332946 0.1604991 -0.8533656), wk = 0.0026525 k( 313) = ( 0.6303969 0.1597647 -0.8331556), wk = 0.0026525 k( 314) = ( 0.6274992 0.1590304 -0.8129456), wk = 0.0026525 k( 315) = ( 0.6246014 0.1582960 -0.7927356), wk = 0.0026525 k( 316) = ( 0.6217037 0.1575616 -0.7725256), wk = 0.0026525 k( 317) = ( 0.6188060 0.1568272 -0.7523156), wk = 0.0026525 k( 318) = ( 0.6159083 0.1560928 -0.7321056), wk = 0.0026525 k( 319) = ( 0.6130106 0.1553585 -0.7118956), wk = 0.0026525 k( 320) = ( 0.6101129 0.1546241 -0.6916856), wk = 0.0026525 k( 321) = ( 0.6072152 0.1538897 -0.6714756), wk = 0.0026525 k( 322) = ( 0.6043175 0.1531553 -0.6512655), wk = 0.0026525 k( 323) = ( 0.6014198 0.1524209 -0.6310555), wk = 0.0026525 k( 324) = ( 0.5985221 0.1516866 -0.6108456), wk = 0.0026525 k( 325) = ( 0.5956244 0.1509522 -0.5906356), wk = 0.0026525 k( 326) = ( 0.5927267 0.1502178 -0.5704255), wk = 0.0026525 k( 327) = ( 0.5898289 0.1494834 -0.5502155), wk = 0.0026525 k( 328) = ( 0.5869312 0.1487490 -0.5300056), wk = 0.0026525 k( 329) = ( 0.5840335 0.1480146 -0.5097956), wk = 0.0026525 k( 330) = ( 0.5811358 0.1472803 -0.4895855), wk = 0.0026525 k( 331) = ( 0.5782381 0.1465459 -0.4693755), wk = 0.0026525 k( 332) = ( 0.5753404 0.1458115 -0.4491655), wk = 0.0026525 k( 333) = ( 0.5724427 0.1450771 -0.4289555), wk = 0.0026525 k( 334) = ( 0.5695450 0.1443427 -0.4087455), wk = 0.0026525 k( 335) = ( 0.5666473 0.1436084 -0.3885355), wk = 0.0026525 k( 336) = ( 0.5637496 0.1428740 -0.3683255), wk = 0.0026525 k( 337) = ( 0.5608519 0.1421396 -0.3481155), wk = 0.0026525 k( 338) = ( 0.5579542 0.1414052 -0.3279055), wk = 0.0026525 k( 339) = ( 0.5550565 0.1406708 -0.3076955), wk = 0.0026525 k( 340) = ( 0.5521587 0.1399365 -0.2874855), wk = 0.0026525 k( 341) = ( 0.5492610 0.1392021 -0.2672755), wk = 0.0026525 k( 342) = ( 0.5463633 0.1384677 -0.2470655), wk = 0.0026525 k( 343) = ( 0.5434656 0.1377333 -0.2268555), wk = 0.0026525 k( 344) = ( 0.5405679 0.1369989 -0.2066455), wk = 0.0026525 k( 345) = ( 0.5376702 0.1362645 -0.1864355), wk = 0.0026525 k( 346) = ( 0.5347725 0.1355302 -0.1662255), wk = 0.0026525 k( 347) = ( 0.5318748 0.1347958 -0.1460155), wk = 0.0026525 k( 348) = ( 0.5289771 0.1340614 -0.1258055), wk = 0.0026525 k( 349) = ( 0.5260794 0.1333270 -0.1055955), wk = 0.0026525 k( 350) = ( 0.5231817 0.1325926 -0.0853855), wk = 0.0026525 k( 351) = ( 0.5202840 0.1318583 -0.0651755), wk = 0.0026525 k( 352) = ( 0.5173863 0.1311239 -0.0449655), wk = 0.0026525 k( 353) = ( 0.5144885 0.1303895 -0.0247555), wk = 0.0026525 k( 354) = ( 0.5115908 0.1296551 -0.0045455), wk = 0.0026525 k( 355) = ( 0.5086931 0.1289207 0.0156645), wk = 0.0026525 k( 356) = ( 0.5057954 0.1281864 0.0358745), wk = 0.0026525 k( 357) = ( 0.5028977 0.1274520 0.0560845), wk = 0.0026525 k( 358) = ( 0.5000000 0.1267176 0.0762945), wk = 0.0026525 k( 359) = ( 0.5000000 -0.9230867 -0.5557751), wk = 0.0026525 k( 360) = ( 0.5177082 -0.9160468 -0.5515365), wk = 0.0026525 k( 361) = ( 0.5354164 -0.9090070 -0.5472979), wk = 0.0026525 k( 362) = ( 0.5531246 -0.9019671 -0.5430593), wk = 0.0026525 k( 363) = ( 0.5708329 -0.8949273 -0.5388207), wk = 0.0026525 k( 364) = ( 0.5885411 -0.8878874 -0.5345821), wk = 0.0026525 k( 365) = ( 0.6062493 -0.8808475 -0.5303436), wk = 0.0026525 k( 366) = ( 0.6239575 -0.8738077 -0.5261050), wk = 0.0026525 k( 367) = ( 0.6416657 -0.8667678 -0.5218664), wk = 0.0026525 k( 368) = ( 0.6593739 -0.8597279 -0.5176278), wk = 0.0026525 k( 369) = ( 0.6770822 -0.8526881 -0.5133892), wk = 0.0026525 k( 370) = ( 0.6947904 -0.8456482 -0.5091506), wk = 0.0026525 k( 371) = ( 0.7124986 -0.8386083 -0.5049120), wk = 0.0026525 k( 372) = ( 0.7302068 -0.8315685 -0.5006735), wk = 0.0026525 k( 373) = ( 0.7479150 -0.8245286 -0.4964349), wk = 0.0026525 k( 374) = ( 0.7656232 -0.8174887 -0.4921963), wk = 0.0026525 k( 375) = ( 0.7833314 -0.8104488 -0.4879577), wk = 0.0026525 k( 376) = ( 0.8010396 -0.8034090 -0.4837191), wk = 0.0026525 k( 377) = ( 0.8187479 -0.7963691 -0.4794805), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0084746 0.0000000 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0169491 0.0000000 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0254237 0.0000000 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0338983 -0.0000000 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0423729 -0.0000000 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0508475 0.0000000 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0593220 0.0000000 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0677966 -0.0000000 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0762712 0.0000000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0847458 -0.0000000 -0.0000000), wk = 0.0026525 k( 12) = ( 0.0932203 -0.0000000 -0.0000000), wk = 0.0026525 k( 13) = ( 0.1016949 0.0000000 -0.0000000), wk = 0.0026525 k( 14) = ( 0.1101695 0.0000000 -0.0000000), wk = 0.0026525 k( 15) = ( 0.1186441 0.0000000 -0.0000000), wk = 0.0026525 k( 16) = ( 0.1271186 0.0000000 -0.0000000), wk = 0.0026525 k( 17) = ( 0.1355932 -0.0000000 -0.0000000), wk = 0.0026525 k( 18) = ( 0.1440678 0.0000000 -0.0000000), wk = 0.0026525 k( 19) = ( 0.1525424 0.0000000 0.0000000), wk = 0.0026525 k( 20) = ( 0.1610169 0.0000000 -0.0000000), wk = 0.0026525 k( 21) = ( 0.1694915 0.0000000 -0.0000000), wk = 0.0026525 k( 22) = ( 0.1779661 0.0000000 -0.0000000), wk = 0.0026525 k( 23) = ( 0.1864407 -0.0000000 -0.0000000), wk = 0.0026525 k( 24) = ( 0.1949153 0.0000000 -0.0000000), wk = 0.0026525 k( 25) = ( 0.2033898 0.0000000 -0.0000000), wk = 0.0026525 k( 26) = ( 0.2118644 0.0000000 -0.0000000), wk = 0.0026525 k( 27) = ( 0.2203390 0.0000000 -0.0000000), wk = 0.0026525 k( 28) = ( 0.2288136 0.0000000 -0.0000000), wk = 0.0026525 k( 29) = ( 0.2372881 0.0000000 -0.0000000), wk = 0.0026525 k( 30) = ( 0.2457627 0.0000000 -0.0000000), wk = 0.0026525 k( 31) = ( 0.2542373 0.0000000 -0.0000000), wk = 0.0026525 k( 32) = ( 0.2627119 0.0000000 -0.0000000), wk = 0.0026525 k( 33) = ( 0.2711864 -0.0000000 -0.0000000), wk = 0.0026525 k( 34) = ( 0.2796610 -0.0000000 -0.0000000), wk = 0.0026525 k( 35) = ( 0.2881356 0.0000000 -0.0000000), wk = 0.0026525 k( 36) = ( 0.2966102 -0.0000000 -0.0000000), wk = 0.0026525 k( 37) = ( 0.3050848 0.0000000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.3135593 -0.0000000 -0.0000000), wk = 0.0026525 k( 39) = ( 0.3220339 0.0000000 -0.0000000), wk = 0.0026525 k( 40) = ( 0.3305085 -0.0000000 -0.0000000), wk = 0.0026525 k( 41) = ( 0.3389831 0.0000000 0.0000000), wk = 0.0026525 k( 42) = ( 0.3474576 0.0000000 -0.0000000), wk = 0.0026525 k( 43) = ( 0.3559322 0.0000000 -0.0000000), wk = 0.0026525 k( 44) = ( 0.3644068 0.0000000 -0.0000000), wk = 0.0026525 k( 45) = ( 0.3728814 -0.0000000 -0.0000000), wk = 0.0026525 k( 46) = ( 0.3813559 0.0000000 0.0000000), wk = 0.0026525 k( 47) = ( 0.3898305 -0.0000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.3983051 0.0000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.4067797 0.0000000 -0.0000000), wk = 0.0026525 k( 50) = ( 0.4152542 0.0000000 -0.0000000), wk = 0.0026525 k( 51) = ( 0.4237288 0.0000000 -0.0000000), wk = 0.0026525 k( 52) = ( 0.4322034 -0.0000000 -0.0000000), wk = 0.0026525 k( 53) = ( 0.4406780 0.0000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.4491525 -0.0000000 -0.0000000), wk = 0.0026525 k( 55) = ( 0.4576271 0.0000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.4661017 -0.0000000 -0.0000000), wk = 0.0026525 k( 57) = ( 0.4745763 0.0000000 -0.0000000), wk = 0.0026525 k( 58) = ( 0.4830508 0.0000000 -0.0000000), wk = 0.0026525 k( 59) = ( 0.4915254 0.0000000 -0.0000000), wk = 0.0026525 k( 60) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026525 k( 61) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026525 k( 62) = ( 0.5000000 0.0048987 -0.0048987), wk = 0.0026525 k( 63) = ( 0.5000000 0.0097974 -0.0097974), wk = 0.0026525 k( 64) = ( 0.5000000 0.0146961 -0.0146961), wk = 0.0026525 k( 65) = ( 0.5000000 0.0195948 -0.0195948), wk = 0.0026525 k( 66) = ( 0.5000000 0.0244935 -0.0244935), wk = 0.0026525 k( 67) = ( 0.5000000 0.0293922 -0.0293922), wk = 0.0026525 k( 68) = ( 0.5000000 0.0342909 -0.0342909), wk = 0.0026525 k( 69) = ( 0.5000000 0.0391897 -0.0391896), wk = 0.0026525 k( 70) = ( 0.5000000 0.0440884 -0.0440884), wk = 0.0026525 k( 71) = ( 0.5000000 0.0489871 -0.0489871), wk = 0.0026525 k( 72) = ( 0.5000000 0.0538858 -0.0538858), wk = 0.0026525 k( 73) = ( 0.5000000 0.0587845 -0.0587845), wk = 0.0026525 k( 74) = ( 0.5000000 0.0636832 -0.0636832), wk = 0.0026525 k( 75) = ( 0.5000000 0.0685819 -0.0685819), wk = 0.0026525 k( 76) = ( 0.5000000 0.0734806 -0.0734806), wk = 0.0026525 k( 77) = ( 0.5000000 0.0783793 -0.0783793), wk = 0.0026525 k( 78) = ( 0.5000000 0.0832780 -0.0832780), wk = 0.0026525 k( 79) = ( 0.5000000 0.0881767 -0.0881767), wk = 0.0026525 k( 80) = ( 0.5000000 0.0930754 -0.0930754), wk = 0.0026525 k( 81) = ( 0.5000000 0.0979741 -0.0979741), wk = 0.0026525 k( 82) = ( 0.5000000 0.1028728 -0.1028728), wk = 0.0026525 k( 83) = ( 0.5000000 0.1077715 -0.1077715), wk = 0.0026525 k( 84) = ( 0.5000000 0.1126702 -0.1126703), wk = 0.0026525 k( 85) = ( 0.5000000 0.1175690 -0.1175690), wk = 0.0026525 k( 86) = ( 0.5000000 0.1224677 -0.1224677), wk = 0.0026525 k( 87) = ( 0.5000000 0.1273664 -0.1273664), wk = 0.0026525 k( 88) = ( 0.5000000 0.1322651 -0.1322651), wk = 0.0026525 k( 89) = ( 0.5000000 0.1371638 -0.1371638), wk = 0.0026525 k( 90) = ( 0.5000000 0.1420625 -0.1420625), wk = 0.0026525 k( 91) = ( 0.5000000 0.1469612 -0.1469612), wk = 0.0026525 k( 92) = ( 0.5000000 0.1518599 -0.1518599), wk = 0.0026525 k( 93) = ( 0.5000000 0.1567586 -0.1567586), wk = 0.0026525 k( 94) = ( 0.5000000 0.1616573 -0.1616573), wk = 0.0026525 k( 95) = ( 0.5000000 0.1665560 -0.1665560), wk = 0.0026525 k( 96) = ( 0.5000000 0.1714547 -0.1714547), wk = 0.0026525 k( 97) = ( 0.5000000 0.1763534 -0.1763534), wk = 0.0026525 k( 98) = ( 0.5000000 0.1812521 -0.1812521), wk = 0.0026525 k( 99) = ( 0.8187479 0.5000000 0.1812521), wk = 0.0026525 k( 100) = ( 0.8137674 0.5000000 0.1862326), wk = 0.0026525 k( 101) = ( 0.8087870 0.5000000 0.1912130), wk = 0.0026525 k( 102) = ( 0.8038066 0.5000000 0.1961934), wk = 0.0026525 k( 103) = ( 0.7988261 0.5000000 0.2011739), wk = 0.0026525 k( 104) = ( 0.7938457 0.5000000 0.2061543), wk = 0.0026525 k( 105) = ( 0.7888652 0.5000000 0.2111347), wk = 0.0026525 k( 106) = ( 0.7838848 0.5000000 0.2161152), wk = 0.0026525 k( 107) = ( 0.7789044 0.5000000 0.2210956), wk = 0.0026525 k( 108) = ( 0.7739239 0.5000000 0.2260761), wk = 0.0026525 k( 109) = ( 0.7689435 0.5000000 0.2310565), wk = 0.0026525 k( 110) = ( 0.7639631 0.5000000 0.2360369), wk = 0.0026525 k( 111) = ( 0.7589826 0.5000000 0.2410174), wk = 0.0026525 k( 112) = ( 0.7540022 0.5000000 0.2459978), wk = 0.0026525 k( 113) = ( 0.7490218 0.5000000 0.2509782), wk = 0.0026525 k( 114) = ( 0.7440413 0.5000000 0.2559587), wk = 0.0026525 k( 115) = ( 0.7390609 0.5000000 0.2609391), wk = 0.0026525 k( 116) = ( 0.7340805 0.5000000 0.2659195), wk = 0.0026525 k( 117) = ( 0.7291000 0.5000000 0.2709000), wk = 0.0026525 k( 118) = ( 0.7241196 0.5000000 0.2758804), wk = 0.0026525 k( 119) = ( 0.7191392 0.5000000 0.2808608), wk = 0.0026525 k( 120) = ( 0.7141587 0.5000000 0.2858413), wk = 0.0026525 k( 121) = ( 0.7091783 0.5000000 0.2908217), wk = 0.0026525 k( 122) = ( 0.7041979 0.5000000 0.2958021), wk = 0.0026525 k( 123) = ( 0.6992174 0.5000000 0.3007826), wk = 0.0026525 k( 124) = ( 0.6942370 0.5000000 0.3057630), wk = 0.0026525 k( 125) = ( 0.6892565 0.5000000 0.3107435), wk = 0.0026525 k( 126) = ( 0.6842761 0.5000000 0.3157239), wk = 0.0026525 k( 127) = ( 0.6792957 0.5000000 0.3207043), wk = 0.0026525 k( 128) = ( 0.6743152 0.5000000 0.3256848), wk = 0.0026525 k( 129) = ( 0.6693348 0.5000000 0.3306652), wk = 0.0026525 k( 130) = ( 0.6643544 0.5000000 0.3356456), wk = 0.0026525 k( 131) = ( 0.6593739 0.5000000 0.3406261), wk = 0.0026525 k( 132) = ( 0.6543935 0.5000000 0.3456065), wk = 0.0026525 k( 133) = ( 0.6494131 0.5000000 0.3505869), wk = 0.0026525 k( 134) = ( 0.6444326 0.5000000 0.3555674), wk = 0.0026525 k( 135) = ( 0.6394522 0.5000000 0.3605478), wk = 0.0026525 k( 136) = ( 0.6344718 0.5000000 0.3655282), wk = 0.0026525 k( 137) = ( 0.6294913 0.5000000 0.3705087), wk = 0.0026525 k( 138) = ( 0.6245109 0.5000000 0.3754891), wk = 0.0026525 k( 139) = ( 0.6195304 0.5000000 0.3804695), wk = 0.0026525 k( 140) = ( 0.6145500 0.5000000 0.3854500), wk = 0.0026525 k( 141) = ( 0.6095696 0.5000000 0.3904304), wk = 0.0026525 k( 142) = ( 0.6045891 0.5000000 0.3954109), wk = 0.0026525 k( 143) = ( 0.5996087 0.5000000 0.4003913), wk = 0.0026525 k( 144) = ( 0.5946283 0.5000000 0.4053717), wk = 0.0026525 k( 145) = ( 0.5896478 0.5000000 0.4103522), wk = 0.0026525 k( 146) = ( 0.5846674 0.5000000 0.4153326), wk = 0.0026525 k( 147) = ( 0.5796870 0.5000000 0.4203130), wk = 0.0026525 k( 148) = ( 0.5747065 0.5000000 0.4252935), wk = 0.0026525 k( 149) = ( 0.5697261 0.5000000 0.4302739), wk = 0.0026525 k( 150) = ( 0.5647457 0.5000000 0.4352543), wk = 0.0026525 k( 151) = ( 0.5597652 0.5000000 0.4402348), wk = 0.0026525 k( 152) = ( 0.5547848 0.5000000 0.4452152), wk = 0.0026525 k( 153) = ( 0.5498044 0.5000000 0.4501957), wk = 0.0026525 k( 154) = ( 0.5448239 0.5000000 0.4551761), wk = 0.0026525 k( 155) = ( 0.5398435 0.5000000 0.4601565), wk = 0.0026525 k( 156) = ( 0.5348631 0.5000000 0.4651369), wk = 0.0026525 k( 157) = ( 0.5298826 0.5000000 0.4701174), wk = 0.0026525 k( 158) = ( 0.5249022 0.5000000 0.4750978), wk = 0.0026525 k( 159) = ( 0.5199217 0.5000000 0.4800783), wk = 0.0026525 k( 160) = ( 0.5149413 0.5000000 0.4850587), wk = 0.0026525 k( 161) = ( 0.5099609 0.5000000 0.4900391), wk = 0.0026525 k( 162) = ( 0.5049804 0.5000000 0.4950196), wk = 0.0026525 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 164) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 165) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0026525 k( 166) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0026525 k( 167) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0026525 k( 168) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0026525 k( 169) = ( 0.4038462 0.4038462 0.4038461), wk = 0.0026525 k( 170) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0026525 k( 171) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0026525 k( 172) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0026525 k( 173) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0026525 k( 174) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0026525 k( 175) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0026525 k( 176) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0026525 k( 177) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 k( 178) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0026525 k( 179) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0026525 k( 180) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0026525 k( 181) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0026525 k( 182) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0026525 k( 183) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0026525 k( 184) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0026525 k( 185) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0026525 k( 186) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0026525 k( 187) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0026525 k( 188) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0026525 k( 189) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0026525 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 192) = ( 0.0050092 -0.0000000 -0.0050092), wk = 0.0026525 k( 193) = ( 0.0100184 -0.0000000 -0.0100184), wk = 0.0026525 k( 194) = ( 0.0150276 0.0000000 -0.0150276), wk = 0.0026525 k( 195) = ( 0.0200368 0.0000000 -0.0200368), wk = 0.0026525 k( 196) = ( 0.0250460 0.0000000 -0.0250460), wk = 0.0026525 k( 197) = ( 0.0300552 0.0000000 -0.0300552), wk = 0.0026525 k( 198) = ( 0.0350644 0.0000000 -0.0350645), wk = 0.0026525 k( 199) = ( 0.0400737 0.0000000 -0.0400737), wk = 0.0026525 k( 200) = ( 0.0450829 -0.0000000 -0.0450829), wk = 0.0026525 k( 201) = ( 0.0500921 0.0000000 -0.0500921), wk = 0.0026525 k( 202) = ( 0.0551013 -0.0000000 -0.0551013), wk = 0.0026525 k( 203) = ( 0.0601105 0.0000000 -0.0601105), wk = 0.0026525 k( 204) = ( 0.0651197 0.0000000 -0.0651197), wk = 0.0026525 k( 205) = ( 0.0701289 0.0000000 -0.0701289), wk = 0.0026525 k( 206) = ( 0.0751381 0.0000000 -0.0751381), wk = 0.0026525 k( 207) = ( 0.0801473 0.0000000 -0.0801473), wk = 0.0026525 k( 208) = ( 0.0851565 0.0000000 -0.0851565), wk = 0.0026525 k( 209) = ( 0.0901657 -0.0000000 -0.0901657), wk = 0.0026525 k( 210) = ( 0.0951749 0.0000000 -0.0951749), wk = 0.0026525 k( 211) = ( 0.1001841 0.0000000 -0.1001841), wk = 0.0026525 k( 212) = ( 0.1051933 0.0000000 -0.1051933), wk = 0.0026525 k( 213) = ( 0.1102025 -0.0000000 -0.1102026), wk = 0.0026525 k( 214) = ( 0.1152118 0.0000000 -0.1152118), wk = 0.0026525 k( 215) = ( 0.1202210 0.0000000 -0.1202210), wk = 0.0026525 k( 216) = ( 0.1252302 0.0000000 -0.1252302), wk = 0.0026525 k( 217) = ( 0.1302394 0.0000000 -0.1302394), wk = 0.0026525 k( 218) = ( 0.1352486 -0.0000000 -0.1352486), wk = 0.0026525 k( 219) = ( 0.1402578 0.0000000 -0.1402578), wk = 0.0026525 k( 220) = ( 0.1452670 0.0000000 -0.1452670), wk = 0.0026525 k( 221) = ( 0.1502762 0.0000000 -0.1502762), wk = 0.0026525 k( 222) = ( 0.1552854 0.0000000 -0.1552854), wk = 0.0026525 k( 223) = ( 0.1602946 0.0000000 -0.1602946), wk = 0.0026525 k( 224) = ( 0.1653038 0.0000000 -0.1653038), wk = 0.0026525 k( 225) = ( 0.1703130 0.0000000 -0.1703130), wk = 0.0026525 k( 226) = ( 0.1753222 0.0000000 -0.1753222), wk = 0.0026525 k( 227) = ( 0.1803315 0.0000000 -0.1803315), wk = 0.0026525 k( 228) = ( 0.1853406 0.0000000 -0.1853406), wk = 0.0026525 k( 229) = ( 0.1903499 0.0000000 -0.1903499), wk = 0.0026525 k( 230) = ( 0.1953591 0.0000000 -0.1953591), wk = 0.0026525 k( 231) = ( 0.2003683 0.0000000 -0.2003683), wk = 0.0026525 k( 232) = ( 0.2053775 -0.0000000 -0.2053775), wk = 0.0026525 k( 233) = ( 0.2103867 0.0000000 -0.2103867), wk = 0.0026525 k( 234) = ( 0.2153959 0.0000000 -0.2153959), wk = 0.0026525 k( 235) = ( 0.2204051 -0.0000000 -0.2204051), wk = 0.0026525 k( 236) = ( 0.2254143 0.0000000 -0.2254143), wk = 0.0026525 k( 237) = ( 0.2304235 0.0000000 -0.2304235), wk = 0.0026525 k( 238) = ( 0.2354327 0.0000000 -0.2354327), wk = 0.0026525 k( 239) = ( 0.2404419 0.0000000 -0.2404419), wk = 0.0026525 k( 240) = ( 0.2454511 -0.0000000 -0.2454511), wk = 0.0026525 k( 241) = ( 0.2504603 0.0000000 -0.2504603), wk = 0.0026525 k( 242) = ( 0.2554695 -0.0000000 -0.2554696), wk = 0.0026525 k( 243) = ( 0.2604788 0.0000000 -0.2604788), wk = 0.0026525 k( 244) = ( 0.2654880 0.0000000 -0.2654880), wk = 0.0026525 k( 245) = ( 0.2704972 0.0000000 -0.2704972), wk = 0.0026525 k( 246) = ( 0.2755064 -0.0000000 -0.2755064), wk = 0.0026525 k( 247) = ( 0.2805156 -0.0000000 -0.2805156), wk = 0.0026525 k( 248) = ( 0.2855248 0.0000000 -0.2855248), wk = 0.0026525 k( 249) = ( 0.2905340 0.0000000 -0.2905340), wk = 0.0026525 k( 250) = ( 0.2955432 0.0000000 -0.2955432), wk = 0.0026525 k( 251) = ( 0.3005524 0.0000000 -0.3005524), wk = 0.0026525 k( 252) = ( 0.3055616 -0.0000000 -0.3055616), wk = 0.0026525 k( 253) = ( 0.3105708 0.0000000 -0.3105708), wk = 0.0026525 k( 254) = ( 0.3155800 -0.0000000 -0.3155800), wk = 0.0026525 k( 255) = ( 0.3205892 0.0000000 -0.3205892), wk = 0.0026525 k( 256) = ( 0.3255984 0.0000000 -0.3255985), wk = 0.0026525 k( 257) = ( 0.3306076 0.0000000 -0.3306076), wk = 0.0026525 k( 258) = ( 0.3356169 0.0000000 -0.3356169), wk = 0.0026525 k( 259) = ( 0.3406261 0.0000000 -0.3406261), wk = 0.0026525 k( 260) = ( 0.6593739 0.3406261 -0.0000000), wk = 0.0026525 k( 261) = ( 0.6543935 0.3456065 -0.0000000), wk = 0.0026525 k( 262) = ( 0.6494131 0.3505869 -0.0000000), wk = 0.0026525 k( 263) = ( 0.6444326 0.3555674 -0.0000000), wk = 0.0026525 k( 264) = ( 0.6394522 0.3605478 -0.0000000), wk = 0.0026525 k( 265) = ( 0.6344718 0.3655282 -0.0000000), wk = 0.0026525 k( 266) = ( 0.6294913 0.3705087 -0.0000000), wk = 0.0026525 k( 267) = ( 0.6245109 0.3754891 -0.0000000), wk = 0.0026525 k( 268) = ( 0.6195304 0.3804696 0.0000000), wk = 0.0026525 k( 269) = ( 0.6145500 0.3854500 -0.0000000), wk = 0.0026525 k( 270) = ( 0.6095696 0.3904304 -0.0000000), wk = 0.0026525 k( 271) = ( 0.6045891 0.3954109 -0.0000000), wk = 0.0026525 k( 272) = ( 0.5996087 0.4003913 -0.0000000), wk = 0.0026525 k( 273) = ( 0.5946283 0.4053717 0.0000000), wk = 0.0026525 k( 274) = ( 0.5896478 0.4103522 -0.0000000), wk = 0.0026525 k( 275) = ( 0.5846674 0.4153326 -0.0000000), wk = 0.0026525 k( 276) = ( 0.5796870 0.4203130 -0.0000000), wk = 0.0026525 k( 277) = ( 0.5747065 0.4252935 -0.0000000), wk = 0.0026525 k( 278) = ( 0.5697261 0.4302739 -0.0000000), wk = 0.0026525 k( 279) = ( 0.5647457 0.4352543 -0.0000000), wk = 0.0026525 k( 280) = ( 0.5597652 0.4402348 -0.0000000), wk = 0.0026525 k( 281) = ( 0.5547848 0.4452152 -0.0000000), wk = 0.0026525 k( 282) = ( 0.5498044 0.4501957 -0.0000000), wk = 0.0026525 k( 283) = ( 0.5448239 0.4551761 -0.0000000), wk = 0.0026525 k( 284) = ( 0.5398435 0.4601565 -0.0000000), wk = 0.0026525 k( 285) = ( 0.5348631 0.4651369 -0.0000000), wk = 0.0026525 k( 286) = ( 0.5298826 0.4701174 -0.0000000), wk = 0.0026525 k( 287) = ( 0.5249022 0.4750978 -0.0000000), wk = 0.0026525 k( 288) = ( 0.5199217 0.4800783 -0.0000000), wk = 0.0026525 k( 289) = ( 0.5149413 0.4850587 -0.0000000), wk = 0.0026525 k( 290) = ( 0.5099609 0.4900391 -0.0000000), wk = 0.0026525 k( 291) = ( 0.5049804 0.4950196 -0.0000000), wk = 0.0026525 k( 292) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 294) = ( 0.5177082 0.5177082 0.0201391), wk = 0.0026525 k( 295) = ( 0.5354164 0.5354164 0.0402782), wk = 0.0026525 k( 296) = ( 0.5531246 0.5531246 0.0604174), wk = 0.0026525 k( 297) = ( 0.5708329 0.5708329 0.0805565), wk = 0.0026525 k( 298) = ( 0.5885411 0.5885411 0.1006956), wk = 0.0026525 k( 299) = ( 0.6062493 0.6062493 0.1208348), wk = 0.0026525 k( 300) = ( 0.6239575 0.6239575 0.1409739), wk = 0.0026525 k( 301) = ( 0.6416657 0.6416657 0.1611130), wk = 0.0026525 k( 302) = ( 0.6593739 0.6593739 0.1812521), wk = 0.0026525 k( 303) = ( 0.6593739 0.6593739 0.1812521), wk = 0.0026525 k( 304) = ( 0.6564762 0.6564762 0.1870475), wk = 0.0026525 k( 305) = ( 0.6535785 0.6535785 0.1928430), wk = 0.0026525 k( 306) = ( 0.6506808 0.6506808 0.1986384), wk = 0.0026525 k( 307) = ( 0.6477831 0.6477831 0.2044338), wk = 0.0026525 k( 308) = ( 0.6448854 0.6448854 0.2102292), wk = 0.0026525 k( 309) = ( 0.6419877 0.6419877 0.2160246), wk = 0.0026525 k( 310) = ( 0.6390900 0.6390900 0.2218200), wk = 0.0026525 k( 311) = ( 0.6361923 0.6361923 0.2276155), wk = 0.0026525 k( 312) = ( 0.6332946 0.6332946 0.2334109), wk = 0.0026525 k( 313) = ( 0.6303969 0.6303969 0.2392063), wk = 0.0026525 k( 314) = ( 0.6274992 0.6274992 0.2450017), wk = 0.0026525 k( 315) = ( 0.6246014 0.6246014 0.2507971), wk = 0.0026525 k( 316) = ( 0.6217037 0.6217037 0.2565925), wk = 0.0026525 k( 317) = ( 0.6188060 0.6188060 0.2623880), wk = 0.0026525 k( 318) = ( 0.6159083 0.6159083 0.2681834), wk = 0.0026525 k( 319) = ( 0.6130106 0.6130106 0.2739788), wk = 0.0026525 k( 320) = ( 0.6101129 0.6101129 0.2797742), wk = 0.0026525 k( 321) = ( 0.6072152 0.6072152 0.2855696), wk = 0.0026525 k( 322) = ( 0.6043175 0.6043175 0.2913650), wk = 0.0026525 k( 323) = ( 0.6014198 0.6014198 0.2971605), wk = 0.0026525 k( 324) = ( 0.5985221 0.5985221 0.3029559), wk = 0.0026525 k( 325) = ( 0.5956244 0.5956244 0.3087513), wk = 0.0026525 k( 326) = ( 0.5927267 0.5927267 0.3145467), wk = 0.0026525 k( 327) = ( 0.5898289 0.5898289 0.3203421), wk = 0.0026525 k( 328) = ( 0.5869312 0.5869312 0.3261375), wk = 0.0026525 k( 329) = ( 0.5840335 0.5840335 0.3319329), wk = 0.0026525 k( 330) = ( 0.5811358 0.5811358 0.3377284), wk = 0.0026525 k( 331) = ( 0.5782381 0.5782381 0.3435238), wk = 0.0026525 k( 332) = ( 0.5753404 0.5753404 0.3493192), wk = 0.0026525 k( 333) = ( 0.5724427 0.5724427 0.3551146), wk = 0.0026525 k( 334) = ( 0.5695450 0.5695450 0.3609100), wk = 0.0026525 k( 335) = ( 0.5666473 0.5666473 0.3667054), wk = 0.0026525 k( 336) = ( 0.5637496 0.5637496 0.3725008), wk = 0.0026525 k( 337) = ( 0.5608519 0.5608519 0.3782963), wk = 0.0026525 k( 338) = ( 0.5579542 0.5579542 0.3840917), wk = 0.0026525 k( 339) = ( 0.5550565 0.5550564 0.3898871), wk = 0.0026525 k( 340) = ( 0.5521587 0.5521587 0.3956825), wk = 0.0026525 k( 341) = ( 0.5492610 0.5492610 0.4014779), wk = 0.0026525 k( 342) = ( 0.5463633 0.5463633 0.4072733), wk = 0.0026525 k( 343) = ( 0.5434656 0.5434656 0.4130688), wk = 0.0026525 k( 344) = ( 0.5405679 0.5405679 0.4188642), wk = 0.0026525 k( 345) = ( 0.5376702 0.5376702 0.4246596), wk = 0.0026525 k( 346) = ( 0.5347725 0.5347725 0.4304550), wk = 0.0026525 k( 347) = ( 0.5318748 0.5318748 0.4362504), wk = 0.0026525 k( 348) = ( 0.5289771 0.5289771 0.4420458), wk = 0.0026525 k( 349) = ( 0.5260794 0.5260794 0.4478413), wk = 0.0026525 k( 350) = ( 0.5231817 0.5231817 0.4536367), wk = 0.0026525 k( 351) = ( 0.5202840 0.5202840 0.4594321), wk = 0.0026525 k( 352) = ( 0.5173863 0.5173862 0.4652275), wk = 0.0026525 k( 353) = ( 0.5144885 0.5144885 0.4710229), wk = 0.0026525 k( 354) = ( 0.5115908 0.5115908 0.4768183), wk = 0.0026525 k( 355) = ( 0.5086931 0.5086931 0.4826137), wk = 0.0026525 k( 356) = ( 0.5057954 0.5057954 0.4884092), wk = 0.0026525 k( 357) = ( 0.5028977 0.5028977 0.4942046), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 359) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026525 k( 360) = ( 0.5177082 0.0189237 0.0189237), wk = 0.0026525 k( 361) = ( 0.5354164 0.0378473 0.0378473), wk = 0.0026525 k( 362) = ( 0.5531246 0.0567710 0.0567710), wk = 0.0026525 k( 363) = ( 0.5708329 0.0756947 0.0756947), wk = 0.0026525 k( 364) = ( 0.5885411 0.0946183 0.0946183), wk = 0.0026525 k( 365) = ( 0.6062493 0.1135420 0.1135420), wk = 0.0026525 k( 366) = ( 0.6239575 0.1324657 0.1324657), wk = 0.0026525 k( 367) = ( 0.6416657 0.1513894 0.1513894), wk = 0.0026525 k( 368) = ( 0.6593739 0.1703130 0.1703130), wk = 0.0026525 k( 369) = ( 0.6770822 0.1892367 0.1892367), wk = 0.0026525 k( 370) = ( 0.6947904 0.2081604 0.2081604), wk = 0.0026525 k( 371) = ( 0.7124986 0.2270840 0.2270841), wk = 0.0026525 k( 372) = ( 0.7302068 0.2460077 0.2460077), wk = 0.0026525 k( 373) = ( 0.7479150 0.2649314 0.2649314), wk = 0.0026525 k( 374) = ( 0.7656232 0.2838551 0.2838551), wk = 0.0026525 k( 375) = ( 0.7833314 0.3027787 0.3027787), wk = 0.0026525 k( 376) = ( 0.8010396 0.3217024 0.3217024), wk = 0.0026525 k( 377) = ( 0.8187479 0.3406261 0.3406261), wk = 0.0026525 Dense grid: 44015 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 20353 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 114, 34) NL pseudopotentials 0.09 Mb ( 57, 102) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.01 Mb ( 916) G-vector shells 0.01 Mb ( 818) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 114, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./WS2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 45.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 47.7 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 51.1 secs Computing kpt #: 7 total cpu time spent up to now is 52.6 secs Computing kpt #: 8 total cpu time spent up to now is 53.6 secs Computing kpt #: 9 total cpu time spent up to now is 54.7 secs Computing kpt #: 10 total cpu time spent up to now is 55.8 secs Computing kpt #: 11 total cpu time spent up to now is 56.9 secs Computing kpt #: 12 total cpu time spent up to now is 57.8 secs Computing kpt #: 13 total cpu time spent up to now is 58.9 secs Computing kpt #: 14 total cpu time spent up to now is 61.0 secs Computing kpt #: 15 total cpu time spent up to now is 62.8 secs Computing kpt #: 16 total cpu time spent up to now is 64.8 secs Computing kpt #: 17 total cpu time spent up to now is 66.3 secs Computing kpt #: 18 total cpu time spent up to now is 68.6 secs Computing kpt #: 19 total cpu time spent up to now is 70.4 secs Computing kpt #: 20 total cpu time spent up to now is 72.3 secs Computing kpt #: 21 total cpu time spent up to now is 74.7 secs Computing kpt #: 22 total cpu time spent up to now is 75.9 secs Computing kpt #: 23 total cpu time spent up to now is 76.9 secs Computing kpt #: 24 total cpu time spent up to now is 77.9 secs Computing kpt #: 25 total cpu time spent up to now is 80.0 secs Computing kpt #: 26 total cpu time spent up to now is 82.3 secs Computing kpt #: 27 total cpu time spent up to now is 84.0 secs Computing kpt #: 28 total cpu time spent up to now is 87.9 secs Computing kpt #: 29 total cpu time spent up to now is 89.9 secs Computing kpt #: 30 total cpu time spent up to now is 90.9 secs Computing kpt #: 31 total cpu time spent up to now is 91.9 secs Computing kpt #: 32 total cpu time spent up to now is 92.8 secs Computing kpt #: 33 total cpu time spent up to now is 95.0 secs Computing kpt #: 34 total cpu time spent up to now is 96.1 secs Computing kpt #: 35 total cpu time spent up to now is 97.6 secs Computing kpt #: 36 total cpu time spent up to now is 99.3 secs Computing kpt #: 37 total cpu time spent up to now is 101.2 secs Computing kpt #: 38 total cpu time spent up to now is 104.0 secs Computing kpt #: 39 total cpu time spent up to now is 105.4 secs Computing kpt #: 40 total cpu time spent up to now is 107.0 secs Computing kpt #: 41 total cpu time spent up to now is 108.4 secs Computing kpt #: 42 total cpu time spent up to now is 109.5 secs Computing kpt #: 43 total cpu time spent up to now is 110.5 secs Computing kpt #: 44 total cpu time spent up to now is 111.7 secs Computing kpt #: 45 total cpu time spent up to now is 112.8 secs Computing kpt #: 46 total cpu time spent up to now is 114.9 secs Computing kpt #: 47 total cpu time spent up to now is 119.7 secs Computing kpt #: 48 total cpu time spent up to now is 124.4 secs Computing kpt #: 49 total cpu time spent up to now is 125.6 secs Computing kpt #: 50 total cpu time spent up to now is 127.5 secs Computing kpt #: 51 total cpu time spent up to now is 129.3 secs Computing kpt #: 52 total cpu time spent up to now is 130.6 secs Computing kpt #: 53 total cpu time spent up to now is 131.7 secs Computing kpt #: 54 total cpu time spent up to now is 133.0 secs Computing kpt #: 55 total cpu time spent up to now is 135.7 secs Computing kpt #: 56 total cpu time spent up to now is 138.1 secs Computing kpt #: 57 total cpu time spent up to now is 141.8 secs Computing kpt #: 58 total cpu time spent up to now is 143.6 secs Computing kpt #: 59 total cpu time spent up to now is 144.9 secs Computing kpt #: 60 total cpu time spent up to now is 146.2 secs Computing kpt #: 61 total cpu time spent up to now is 147.4 secs Computing kpt #: 62 total cpu time spent up to now is 149.9 secs Computing kpt #: 63 total cpu time spent up to now is 151.8 secs Computing kpt #: 64 total cpu time spent up to now is 153.5 secs Computing kpt #: 65 total cpu time spent up to now is 155.4 secs Computing kpt #: 66 total cpu time spent up to now is 157.2 secs Computing kpt #: 67 total cpu time spent up to now is 158.7 secs Computing kpt #: 68 total cpu time spent up to now is 161.5 secs Computing kpt #: 69 total cpu time spent up to now is 163.2 secs Computing kpt #: 70 total cpu time spent up to now is 164.4 secs Computing kpt #: 71 total cpu time spent up to now is 166.2 secs Computing kpt #: 72 total cpu time spent up to now is 168.9 secs Computing kpt #: 73 total cpu time spent up to now is 170.5 secs Computing kpt #: 74 total cpu time spent up to now is 171.8 secs Computing kpt #: 75 total cpu time spent up to now is 173.7 secs Computing kpt #: 76 total cpu time spent up to now is 175.3 secs Computing kpt #: 77 total cpu time spent up to now is 177.0 secs Computing kpt #: 78 total cpu time spent up to now is 178.6 secs Computing kpt #: 79 total cpu time spent up to now is 181.6 secs Computing kpt #: 80 total cpu time spent up to now is 183.0 secs Computing kpt #: 81 total cpu time spent up to now is 184.8 secs Computing kpt #: 82 total cpu time spent up to now is 186.8 secs Computing kpt #: 83 total cpu time spent up to now is 188.1 secs Computing kpt #: 84 total cpu time spent up to now is 189.4 secs Computing kpt #: 85 total cpu time spent up to now is 191.3 secs Computing kpt #: 86 total cpu time spent up to now is 192.9 secs Computing kpt #: 87 total cpu time spent up to now is 195.0 secs Computing kpt #: 88 total cpu time spent up to now is 197.2 secs Computing kpt #: 89 total cpu time spent up to now is 198.9 secs Computing kpt #: 90 total cpu time spent up to now is 200.1 secs Computing kpt #: 91 total cpu time spent up to now is 201.2 secs Computing kpt #: 92 total cpu time spent up to now is 202.5 secs Computing kpt #: 93 total cpu time spent up to now is 205.2 secs Computing kpt #: 94 total cpu time spent up to now is 208.0 secs Computing kpt #: 95 total cpu time spent up to now is 209.6 secs Computing kpt #: 96 total cpu time spent up to now is 211.1 secs Computing kpt #: 97 total cpu time spent up to now is 212.3 secs Computing kpt #: 98 total cpu time spent up to now is 214.3 secs Computing kpt #: 99 total cpu time spent up to now is 215.5 secs Computing kpt #: 100 total cpu time spent up to now is 216.9 secs Computing kpt #: 101 total cpu time spent up to now is 219.1 secs Computing kpt #: 102 total cpu time spent up to now is 220.8 secs Computing kpt #: 103 total cpu time spent up to now is 222.3 secs Computing kpt #: 104 total cpu time spent up to now is 223.5 secs Computing kpt #: 105 total cpu time spent up to now is 225.0 secs Computing kpt #: 106 total cpu time spent up to now is 226.5 secs Computing kpt #: 107 total cpu time spent up to now is 227.5 secs Computing kpt #: 108 total cpu time spent up to now is 228.7 secs Computing kpt #: 109 total cpu time spent up to now is 229.7 secs Computing kpt #: 110 total cpu time spent up to now is 230.8 secs Computing kpt #: 111 total cpu time spent up to now is 231.9 secs Computing kpt #: 112 total cpu time spent up to now is 232.9 secs Computing kpt #: 113 total cpu time spent up to now is 234.0 secs Computing kpt #: 114 total cpu time spent up to now is 235.9 secs Computing kpt #: 115 total cpu time spent up to now is 237.3 secs Computing kpt #: 116 total cpu time spent up to now is 238.8 secs Computing kpt #: 117 total cpu time spent up to now is 240.4 secs Computing kpt #: 118 total cpu time spent up to now is 242.0 secs Computing kpt #: 119 total cpu time spent up to now is 243.9 secs Computing kpt #: 120 total cpu time spent up to now is 245.3 secs Computing kpt #: 121 total cpu time spent up to now is 246.4 secs Computing kpt #: 122 total cpu time spent up to now is 247.4 secs Computing kpt #: 123 total cpu time spent up to now is 250.0 secs Computing kpt #: 124 total cpu time spent up to now is 251.7 secs Computing kpt #: 125 total cpu time spent up to now is 253.5 secs Computing kpt #: 126 total cpu time spent up to now is 255.4 secs Computing kpt #: 127 total cpu time spent up to now is 256.4 secs Computing kpt #: 128 total cpu time spent up to now is 257.8 secs Computing kpt #: 129 total cpu time spent up to now is 259.8 secs Computing kpt #: 130 total cpu time spent up to now is 260.8 secs Computing kpt #: 131 total cpu time spent up to now is 263.2 secs Computing kpt #: 132 total cpu time spent up to now is 264.1 secs Computing kpt #: 133 total cpu time spent up to now is 266.4 secs Computing kpt #: 134 total cpu time spent up to now is 269.2 secs Computing kpt #: 135 total cpu time spent up to now is 271.8 secs Computing kpt #: 136 total cpu time spent up to now is 274.8 secs Computing kpt #: 137 total cpu time spent up to now is 276.0 secs Computing kpt #: 138 total cpu time spent up to now is 277.5 secs Computing kpt #: 139 total cpu time spent up to now is 278.5 secs Computing kpt #: 140 total cpu time spent up to now is 279.4 secs Computing kpt #: 141 total cpu time spent up to now is 281.0 secs Computing kpt #: 142 total cpu time spent up to now is 283.0 secs Computing kpt #: 143 total cpu time spent up to now is 285.0 secs Computing kpt #: 144 total cpu time spent up to now is 286.9 secs Computing kpt #: 145 total cpu time spent up to now is 287.9 secs Computing kpt #: 146 total cpu time spent up to now is 289.4 secs Computing kpt #: 147 total cpu time spent up to now is 290.4 secs Computing kpt #: 148 total cpu time spent up to now is 291.3 secs Computing kpt #: 149 total cpu time spent up to now is 292.3 secs Computing kpt #: 150 total cpu time spent up to now is 293.7 secs Computing kpt #: 151 total cpu time spent up to now is 295.0 secs Computing kpt #: 152 total cpu time spent up to now is 296.2 secs Computing kpt #: 153 total cpu time spent up to now is 298.4 secs Computing kpt #: 154 total cpu time spent up to now is 300.2 secs Computing kpt #: 155 total cpu time spent up to now is 301.4 secs Computing kpt #: 156 total cpu time spent up to now is 303.3 secs Computing kpt #: 157 total cpu time spent up to now is 304.4 secs Computing kpt #: 158 total cpu time spent up to now is 306.9 secs Computing kpt #: 159 total cpu time spent up to now is 308.7 secs Computing kpt #: 160 total cpu time spent up to now is 309.7 secs Computing kpt #: 161 total cpu time spent up to now is 310.8 secs Computing kpt #: 162 total cpu time spent up to now is 312.1 secs Computing kpt #: 163 total cpu time spent up to now is 313.3 secs Computing kpt #: 164 total cpu time spent up to now is 315.0 secs Computing kpt #: 165 total cpu time spent up to now is 315.9 secs Computing kpt #: 166 total cpu time spent up to now is 316.8 secs Computing kpt #: 167 total cpu time spent up to now is 317.7 secs Computing kpt #: 168 total cpu time spent up to now is 319.4 secs Computing kpt #: 169 total cpu time spent up to now is 320.5 secs Computing kpt #: 170 total cpu time spent up to now is 321.4 secs Computing kpt #: 171 total cpu time spent up to now is 323.1 secs Computing kpt #: 172 total cpu time spent up to now is 324.3 secs Computing kpt #: 173 total cpu time spent up to now is 326.3 secs Computing kpt #: 174 total cpu time spent up to now is 328.0 secs Computing kpt #: 175 total cpu time spent up to now is 329.8 secs Computing kpt #: 176 total cpu time spent up to now is 333.0 secs Computing kpt #: 177 total cpu time spent up to now is 334.2 secs Computing kpt #: 178 total cpu time spent up to now is 335.9 secs Computing kpt #: 179 total cpu time spent up to now is 336.9 secs Computing kpt #: 180 total cpu time spent up to now is 337.9 secs Computing kpt #: 181 total cpu time spent up to now is 339.1 secs Computing kpt #: 182 total cpu time spent up to now is 340.8 secs Computing kpt #: 183 total cpu time spent up to now is 342.8 secs Computing kpt #: 184 total cpu time spent up to now is 345.5 secs Computing kpt #: 185 total cpu time spent up to now is 346.5 secs Computing kpt #: 186 total cpu time spent up to now is 347.4 secs Computing kpt #: 187 total cpu time spent up to now is 349.0 secs Computing kpt #: 188 total cpu time spent up to now is 350.2 secs Computing kpt #: 189 total cpu time spent up to now is 351.7 secs Computing kpt #: 190 total cpu time spent up to now is 352.7 secs Computing kpt #: 191 total cpu time spent up to now is 354.2 secs Computing kpt #: 192 total cpu time spent up to now is 355.4 secs Computing kpt #: 193 total cpu time spent up to now is 356.4 secs Computing kpt #: 194 total cpu time spent up to now is 357.7 secs Computing kpt #: 195 total cpu time spent up to now is 359.1 secs Computing kpt #: 196 total cpu time spent up to now is 360.1 secs Computing kpt #: 197 total cpu time spent up to now is 361.9 secs Computing kpt #: 198 total cpu time spent up to now is 363.1 secs Computing kpt #: 199 total cpu time spent up to now is 364.0 secs Computing kpt #: 200 total cpu time spent up to now is 365.3 secs Computing kpt #: 201 total cpu time spent up to now is 366.2 secs Computing kpt #: 202 total cpu time spent up to now is 367.2 secs Computing kpt #: 203 total cpu time spent up to now is 368.6 secs Computing kpt #: 204 total cpu time spent up to now is 370.3 secs Computing kpt #: 205 total cpu time spent up to now is 371.2 secs Computing kpt #: 206 total cpu time spent up to now is 372.1 secs Computing kpt #: 207 total cpu time spent up to now is 373.6 secs Computing kpt #: 208 total cpu time spent up to now is 375.0 secs Computing kpt #: 209 total cpu time spent up to now is 375.9 secs Computing kpt #: 210 total cpu time spent up to now is 376.8 secs Computing kpt #: 211 total cpu time spent up to now is 378.4 secs Computing kpt #: 212 total cpu time spent up to now is 379.7 secs Computing kpt #: 213 total cpu time spent up to now is 380.7 secs Computing kpt #: 214 total cpu time spent up to now is 381.6 secs Computing kpt #: 215 total cpu time spent up to now is 382.6 secs Computing kpt #: 216 total cpu time spent up to now is 384.6 secs Computing kpt #: 217 total cpu time spent up to now is 385.7 secs Computing kpt #: 218 total cpu time spent up to now is 386.9 secs Computing kpt #: 219 total cpu time spent up to now is 388.7 secs Computing kpt #: 220 total cpu time spent up to now is 391.5 secs Computing kpt #: 221 total cpu time spent up to now is 393.3 secs Computing kpt #: 222 total cpu time spent up to now is 396.7 secs Computing kpt #: 223 total cpu time spent up to now is 398.3 secs Computing kpt #: 224 total cpu time spent up to now is 399.7 secs Computing kpt #: 225 total cpu time spent up to now is 400.6 secs Computing kpt #: 226 total cpu time spent up to now is 401.5 secs Computing kpt #: 227 total cpu time spent up to now is 402.5 secs Computing kpt #: 228 total cpu time spent up to now is 403.7 secs Computing kpt #: 229 total cpu time spent up to now is 406.9 secs Computing kpt #: 230 total cpu time spent up to now is 408.2 secs Computing kpt #: 231 total cpu time spent up to now is 409.9 secs Computing kpt #: 232 total cpu time spent up to now is 411.0 secs Computing kpt #: 233 total cpu time spent up to now is 412.0 secs Computing kpt #: 234 total cpu time spent up to now is 413.5 secs Computing kpt #: 235 total cpu time spent up to now is 415.0 secs Computing kpt #: 236 total cpu time spent up to now is 416.2 secs Computing kpt #: 237 total cpu time spent up to now is 417.4 secs Computing kpt #: 238 total cpu time spent up to now is 418.9 secs Computing kpt #: 239 total cpu time spent up to now is 420.4 secs Computing kpt #: 240 total cpu time spent up to now is 421.7 secs Computing kpt #: 241 total cpu time spent up to now is 422.9 secs Computing kpt #: 242 total cpu time spent up to now is 424.4 secs Computing kpt #: 243 total cpu time spent up to now is 425.4 secs Computing kpt #: 244 total cpu time spent up to now is 427.1 secs Computing kpt #: 245 total cpu time spent up to now is 428.6 secs Computing kpt #: 246 total cpu time spent up to now is 429.8 secs Computing kpt #: 247 total cpu time spent up to now is 431.0 secs Computing kpt #: 248 total cpu time spent up to now is 432.3 secs Computing kpt #: 249 total cpu time spent up to now is 433.8 secs Computing kpt #: 250 total cpu time spent up to now is 435.0 secs Computing kpt #: 251 total cpu time spent up to now is 436.3 secs Computing kpt #: 252 total cpu time spent up to now is 437.6 secs Computing kpt #: 253 total cpu time spent up to now is 440.0 secs Computing kpt #: 254 total cpu time spent up to now is 441.4 secs Computing kpt #: 255 total cpu time spent up to now is 443.2 secs Computing kpt #: 256 total cpu time spent up to now is 445.1 secs Computing kpt #: 257 total cpu time spent up to now is 447.6 secs Computing kpt #: 258 total cpu time spent up to now is 449.3 secs Computing kpt #: 259 total cpu time spent up to now is 450.6 secs Computing kpt #: 260 total cpu time spent up to now is 451.7 secs Computing kpt #: 261 total cpu time spent up to now is 453.1 secs Computing kpt #: 262 total cpu time spent up to now is 455.7 secs Computing kpt #: 263 total cpu time spent up to now is 457.4 secs Computing kpt #: 264 total cpu time spent up to now is 458.6 secs Computing kpt #: 265 total cpu time spent up to now is 459.6 secs Computing kpt #: 266 total cpu time spent up to now is 460.7 secs Computing kpt #: 267 total cpu time spent up to now is 461.7 secs Computing kpt #: 268 total cpu time spent up to now is 462.7 secs Computing kpt #: 269 total cpu time spent up to now is 463.7 secs Computing kpt #: 270 total cpu time spent up to now is 464.7 secs Computing kpt #: 271 total cpu time spent up to now is 466.3 secs Computing kpt #: 272 total cpu time spent up to now is 467.8 secs Computing kpt #: 273 total cpu time spent up to now is 469.1 secs Computing kpt #: 274 total cpu time spent up to now is 470.1 secs Computing kpt #: 275 total cpu time spent up to now is 471.1 secs Computing kpt #: 276 total cpu time spent up to now is 472.3 secs Computing kpt #: 277 total cpu time spent up to now is 474.2 secs Computing kpt #: 278 total cpu time spent up to now is 475.3 secs Computing kpt #: 279 total cpu time spent up to now is 476.2 secs Computing kpt #: 280 total cpu time spent up to now is 477.2 secs Computing kpt #: 281 total cpu time spent up to now is 479.3 secs Computing kpt #: 282 total cpu time spent up to now is 480.5 secs Computing kpt #: 283 total cpu time spent up to now is 482.0 secs Computing kpt #: 284 total cpu time spent up to now is 483.3 secs Computing kpt #: 285 total cpu time spent up to now is 484.8 secs Computing kpt #: 286 total cpu time spent up to now is 487.0 secs Computing kpt #: 287 total cpu time spent up to now is 489.6 secs Computing kpt #: 288 total cpu time spent up to now is 491.1 secs Computing kpt #: 289 total cpu time spent up to now is 492.7 secs Computing kpt #: 290 total cpu time spent up to now is 493.8 secs Computing kpt #: 291 total cpu time spent up to now is 494.8 secs Computing kpt #: 292 total cpu time spent up to now is 497.2 secs Computing kpt #: 293 total cpu time spent up to now is 500.3 secs Computing kpt #: 294 total cpu time spent up to now is 502.1 secs Computing kpt #: 295 total cpu time spent up to now is 504.8 secs Computing kpt #: 296 total cpu time spent up to now is 506.3 secs Computing kpt #: 297 total cpu time spent up to now is 507.6 secs Computing kpt #: 298 total cpu time spent up to now is 509.7 secs Computing kpt #: 299 total cpu time spent up to now is 511.0 secs Computing kpt #: 300 total cpu time spent up to now is 513.5 secs Computing kpt #: 301 total cpu time spent up to now is 514.6 secs Computing kpt #: 302 total cpu time spent up to now is 515.8 secs Computing kpt #: 303 total cpu time spent up to now is 518.3 secs Computing kpt #: 304 total cpu time spent up to now is 519.6 secs Computing kpt #: 305 total cpu time spent up to now is 522.5 secs Computing kpt #: 306 total cpu time spent up to now is 523.8 secs Computing kpt #: 307 total cpu time spent up to now is 525.4 secs Computing kpt #: 308 total cpu time spent up to now is 526.9 secs Computing kpt #: 309 total cpu time spent up to now is 529.0 secs Computing kpt #: 310 total cpu time spent up to now is 530.7 secs Computing kpt #: 311 total cpu time spent up to now is 531.9 secs Computing kpt #: 312 total cpu time spent up to now is 533.6 secs Computing kpt #: 313 total cpu time spent up to now is 534.9 secs Computing kpt #: 314 total cpu time spent up to now is 536.2 secs Computing kpt #: 315 total cpu time spent up to now is 537.2 secs Computing kpt #: 316 total cpu time spent up to now is 538.2 secs Computing kpt #: 317 total cpu time spent up to now is 539.5 secs Computing kpt #: 318 total cpu time spent up to now is 540.6 secs Computing kpt #: 319 total cpu time spent up to now is 541.7 secs Computing kpt #: 320 total cpu time spent up to now is 542.7 secs Computing kpt #: 321 total cpu time spent up to now is 544.6 secs Computing kpt #: 322 total cpu time spent up to now is 545.7 secs Computing kpt #: 323 total cpu time spent up to now is 547.1 secs Computing kpt #: 324 total cpu time spent up to now is 548.9 secs Computing kpt #: 325 total cpu time spent up to now is 550.1 secs Computing kpt #: 326 total cpu time spent up to now is 551.3 secs Computing kpt #: 327 total cpu time spent up to now is 552.6 secs Computing kpt #: 328 total cpu time spent up to now is 553.9 secs Computing kpt #: 329 total cpu time spent up to now is 554.9 secs Computing kpt #: 330 total cpu time spent up to now is 555.9 secs Computing kpt #: 331 total cpu time spent up to now is 556.8 secs Computing kpt #: 332 total cpu time spent up to now is 557.9 secs Computing kpt #: 333 total cpu time spent up to now is 559.2 secs Computing kpt #: 334 total cpu time spent up to now is 561.0 secs Computing kpt #: 335 total cpu time spent up to now is 562.4 secs Computing kpt #: 336 total cpu time spent up to now is 564.6 secs Computing kpt #: 337 total cpu time spent up to now is 565.9 secs Computing kpt #: 338 total cpu time spent up to now is 567.1 secs Computing kpt #: 339 total cpu time spent up to now is 568.4 secs Computing kpt #: 340 total cpu time spent up to now is 569.3 secs Computing kpt #: 341 total cpu time spent up to now is 570.3 secs Computing kpt #: 342 total cpu time spent up to now is 571.2 secs Computing kpt #: 343 total cpu time spent up to now is 572.2 secs Computing kpt #: 344 total cpu time spent up to now is 573.5 secs Computing kpt #: 345 total cpu time spent up to now is 575.1 secs Computing kpt #: 346 total cpu time spent up to now is 576.3 secs Computing kpt #: 347 total cpu time spent up to now is 577.7 secs Computing kpt #: 348 total cpu time spent up to now is 578.7 secs Computing kpt #: 349 total cpu time spent up to now is 580.2 secs Computing kpt #: 350 total cpu time spent up to now is 581.1 secs Computing kpt #: 351 total cpu time spent up to now is 582.9 secs Computing kpt #: 352 total cpu time spent up to now is 583.8 secs Computing kpt #: 353 total cpu time spent up to now is 584.7 secs Computing kpt #: 354 total cpu time spent up to now is 586.4 secs Computing kpt #: 355 total cpu time spent up to now is 587.5 secs Computing kpt #: 356 total cpu time spent up to now is 590.0 secs Computing kpt #: 357 total cpu time spent up to now is 591.1 secs Computing kpt #: 358 total cpu time spent up to now is 594.4 secs Computing kpt #: 359 total cpu time spent up to now is 597.7 secs Computing kpt #: 360 total cpu time spent up to now is 598.9 secs Computing kpt #: 361 total cpu time spent up to now is 600.0 secs Computing kpt #: 362 total cpu time spent up to now is 601.2 secs Computing kpt #: 363 total cpu time spent up to now is 603.2 secs Computing kpt #: 364 total cpu time spent up to now is 606.0 secs Computing kpt #: 365 total cpu time spent up to now is 607.6 secs Computing kpt #: 366 total cpu time spent up to now is 608.9 secs Computing kpt #: 367 total cpu time spent up to now is 611.9 secs Computing kpt #: 368 total cpu time spent up to now is 613.8 secs Computing kpt #: 369 total cpu time spent up to now is 616.0 secs Computing kpt #: 370 total cpu time spent up to now is 618.8 secs Computing kpt #: 371 total cpu time spent up to now is 620.1 secs Computing kpt #: 372 total cpu time spent up to now is 621.2 secs Computing kpt #: 373 total cpu time spent up to now is 622.5 secs Computing kpt #: 374 total cpu time spent up to now is 624.8 secs Computing kpt #: 375 total cpu time spent up to now is 626.1 secs Computing kpt #: 376 total cpu time spent up to now is 628.5 secs Computing kpt #: 377 total cpu time spent up to now is 630.4 secs ethr = 3.85E-11, avg # of iterations = 18.1 total cpu time spent up to now is 630.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9064 -3.9064 -1.9117 -1.9117 4.1014 4.1014 8.0849 8.0849 8.3508 8.3508 9.3429 9.3429 9.5701 9.5701 10.1721 10.1721 10.6022 10.6022 13.8727 13.8727 13.9678 13.9678 14.3319 14.3319 14.3709 14.3709 k = 0.0085-0.0156-0.0094 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0705 -34.0704 -24.3600 -24.3599 -24.1919 -24.1919 -3.9054 -3.9050 -1.9114 -1.9113 4.1029 4.1030 8.0838 8.0839 8.3496 8.3497 9.3372 9.3409 9.5653 9.5654 10.1702 10.1801 10.5997 10.6064 13.8727 13.8736 13.9668 13.9682 14.3285 14.3305 14.3690 14.3692 k = 0.0169-0.0313-0.0188 ( 2547 PWs) bands (ev): -62.6973 -62.6973 -34.0706 -34.0706 -24.3602 -24.3599 -24.1925 -24.1925 -3.9018 -3.9011 -1.9104 -1.9101 4.1074 4.1078 8.0804 8.0804 8.3464 8.3467 9.3237 9.3309 9.5515 9.5516 10.1741 10.1936 10.5987 10.6121 13.8727 13.8759 13.9661 13.9674 14.3187 14.3251 14.3634 14.3655 k = 0.0254-0.0469-0.0283 ( 2545 PWs) bands (ev): -62.6973 -62.6973 -34.0709 -34.0708 -24.3603 -24.3600 -24.1936 -24.1936 -3.8957 -3.8946 -1.9087 -1.9083 4.1151 4.1156 8.0739 8.0740 8.3420 8.3425 9.3022 9.3128 9.5300 9.5307 10.1828 10.2109 10.5994 10.6192 13.8711 13.8794 13.9652 13.9671 14.3016 14.3157 14.3542 14.3620 k = 0.0339-0.0626-0.0377 ( 2541 PWs) bands (ev): -62.6972 -62.6972 -34.0712 -34.0711 -24.3606 -24.3601 -24.1950 -24.1950 -3.8872 -3.8857 -1.9063 -1.9057 4.1258 4.1264 8.0634 8.0637 8.3373 8.3383 9.2728 9.2863 9.5028 9.5044 10.1946 10.2304 10.6018 10.6274 13.8659 13.8837 13.9615 13.9713 14.2779 14.3019 14.3434 14.3594 k = 0.0424-0.0782-0.0471 ( 2539 PWs) bands (ev): -62.6970 -62.6970 -34.0717 -34.0715 -24.3609 -24.3603 -24.1969 -24.1969 -3.8761 -3.8743 -1.9032 -1.9025 4.1395 4.1403 8.0476 8.0483 8.3338 8.3354 9.2355 9.2513 9.4721 9.4743 10.2080 10.2502 10.6055 10.6365 13.8559 13.8879 13.9559 13.9790 14.2496 14.2835 14.3328 14.3577 k = 0.0508-0.0939-0.0565 ( 2541 PWs) bands (ev): -62.6969 -62.6969 -34.0722 -34.0720 -24.3612 -24.3606 -24.1992 -24.1992 -3.8627 -3.8605 -1.8993 -1.8985 4.1563 4.1572 8.0255 8.0266 8.3328 8.3351 9.1909 9.2082 9.4392 9.4418 10.2214 10.2689 10.6106 10.6460 13.8407 13.8908 13.9480 13.9896 14.2190 14.2621 14.3235 14.3575 k = 0.0593-0.1095-0.0659 ( 2535 PWs) bands (ev): -62.6967 -62.6967 -34.0728 -34.0726 -24.3617 -24.3609 -24.2018 -24.2018 -3.8467 -3.8442 -1.8948 -1.8939 4.1760 4.1771 7.9964 7.9981 8.3352 8.3383 9.1396 9.1577 9.4049 9.4073 10.2339 10.2854 10.6165 10.6553 13.8205 13.8903 13.9375 14.0011 14.1891 14.2397 14.3162 14.3595 k = 0.0678-0.1252-0.0754 ( 2537 PWs) bands (ev): -62.6965 -62.6965 -34.0736 -34.0733 -24.3622 -24.3612 -24.2049 -24.2048 -3.8284 -3.8255 -1.8896 -1.8885 4.1986 4.1998 7.9601 7.9625 8.3415 8.3455 9.0827 9.1009 9.3693 9.3712 10.2447 10.2990 10.6230 10.6640 13.7952 13.8809 13.9275 14.0113 14.1626 14.2187 14.3124 14.3647 k = 0.0763-0.1408-0.0848 ( 2532 PWs) bands (ev): -62.6963 -62.6963 -34.0744 -34.0741 -24.3627 -24.3617 -24.2082 -24.2082 -3.8077 -3.8044 -1.8836 -1.8825 4.2241 4.2254 7.9172 7.9202 8.3516 8.3566 9.0210 9.0390 9.3326 9.3335 10.2533 10.3092 10.6294 10.6714 13.7647 13.8558 13.9234 14.0185 14.1412 14.2000 14.3143 14.3743 k = 0.0847-0.1565-0.0942 ( 2533 PWs) bands (ev): -62.6961 -62.6960 -34.0753 -34.0750 -24.3634 -24.3622 -24.2119 -24.2119 -3.7846 -3.7810 -1.8770 -1.8758 4.2524 4.2537 7.8680 7.8716 8.3652 8.3714 8.9553 8.9728 9.2944 9.2946 10.2595 10.3157 10.6352 10.6769 13.7288 13.8163 13.9248 14.0221 14.1242 14.1836 14.3238 14.3892 k = 0.0932-0.1721-0.1036 ( 2529 PWs) bands (ev): -62.6958 -62.6958 -34.0763 -34.0760 -24.3641 -24.3629 -24.2160 -24.2159 -3.7592 -3.7552 -1.8697 -1.8685 4.2834 4.2848 7.8133 7.8175 8.3819 8.3892 8.8865 8.9034 9.2537 9.2553 10.2630 10.3185 10.6396 10.6799 13.6877 13.7670 13.9295 14.0235 14.1101 14.1683 14.3422 14.4098 k = 0.1017-0.1877-0.1130 ( 2534 PWs) bands (ev): -62.6955 -62.6955 -34.0774 -34.0770 -24.3650 -24.3636 -24.2203 -24.2202 -3.7315 -3.7271 -1.8618 -1.8605 4.3170 4.3184 7.7539 7.7585 8.4010 8.4098 8.8153 8.8315 9.2116 9.2147 10.2637 10.3176 10.6421 10.6801 13.6420 13.7113 13.9368 14.0244 14.0973 14.1531 14.3689 14.4363 k = 0.1102-0.2034-0.1225 ( 2532 PWs) bands (ev): -62.6952 -62.6952 -34.0785 -34.0781 -24.3660 -24.3644 -24.2249 -24.2247 -3.7016 -3.6969 -1.8531 -1.8519 4.3531 4.3545 7.6902 7.6954 8.4220 8.4322 8.7426 8.7581 9.1681 9.1730 10.2615 10.3131 10.6423 10.6770 13.5927 13.6519 13.9463 14.0263 14.0851 14.1382 14.4026 14.4680 k = 0.1186-0.2190-0.1319 ( 2529 PWs) bands (ev): -62.6948 -62.6948 -34.0797 -34.0793 -24.3671 -24.3654 -24.2297 -24.2295 -3.6695 -3.6644 -1.8439 -1.8427 4.3915 4.3929 7.6231 7.6286 8.4433 8.4551 8.6697 8.6846 9.1236 9.1305 10.2562 10.3049 10.6397 10.6704 13.5410 13.5906 13.9572 14.0290 14.0743 14.1253 14.4416 14.5043 k = 0.1271-0.2347-0.1413 ( 2533 PWs) bands (ev): -62.6945 -62.6945 -34.0810 -34.0806 -24.3683 -24.3665 -24.2347 -24.2344 -3.6353 -3.6298 -1.8340 -1.8329 4.4323 4.4336 7.5529 7.5588 8.4612 8.4737 8.6017 8.6145 9.0782 9.0874 10.2479 10.2932 10.6339 10.6602 13.4880 13.5289 13.9672 14.0300 14.0671 14.1176 14.4845 14.5443 k = 0.1356-0.2503-0.1507 ( 2533 PWs) bands (ev): -62.6941 -62.6941 -34.0824 -34.0820 -24.3697 -24.3678 -24.2399 -24.2395 -3.5990 -3.5930 -1.8235 -1.8225 4.4751 4.4764 7.4802 7.4864 8.4595 8.4640 8.5623 8.5640 9.0323 9.0443 10.2364 10.2780 10.6247 10.6461 13.4350 13.4683 13.9720 14.0254 14.0680 14.1197 14.5304 14.5874 k = 0.1441-0.2660-0.1601 ( 2531 PWs) bands (ev): -62.6937 -62.6937 -34.0838 -34.0834 -24.3713 -24.3693 -24.2452 -24.2447 -3.5606 -3.5543 -1.8124 -1.8115 4.5198 4.5210 7.4056 7.4119 8.4055 8.4116 8.5591 8.5716 8.9863 9.0018 10.2217 10.2594 10.6120 10.6284 13.3830 13.4096 13.9682 14.0139 14.0808 14.1332 14.5783 14.6329 k = 0.1525-0.2816-0.1696 ( 2533 PWs) bands (ev): -62.6933 -62.6933 -34.0853 -34.0849 -24.3731 -24.3709 -24.2505 -24.2500 -3.5203 -3.5136 -1.8008 -1.7999 4.5663 4.5673 7.3294 7.3358 8.3303 8.3395 8.5768 8.5972 8.9410 8.9612 10.2038 10.2375 10.5957 10.6070 13.3332 13.3540 13.9573 13.9977 14.1041 14.1560 14.6278 14.6800 k = 0.1610-0.2973-0.1790 ( 2534 PWs) bands (ev): -62.6929 -62.6929 -34.0869 -34.0864 -24.3752 -24.3728 -24.2559 -24.2553 -3.4781 -3.4710 -1.7885 -1.7879 4.6142 4.6151 7.2522 7.2585 8.2508 8.2611 8.5976 8.6253 8.8978 8.9242 10.1827 10.2125 10.5757 10.5821 13.2864 13.3022 13.9424 13.9792 14.1347 14.1855 14.6781 14.7284 k = 0.1695-0.3129-0.1884 ( 2538 PWs) bands (ev): -62.6925 -62.6925 -34.0885 -34.0880 -24.3775 -24.3750 -24.2612 -24.2606 -3.4341 -3.4265 -1.7757 -1.7753 4.6634 4.6640 7.1743 7.1805 8.1695 8.1805 8.6145 8.6504 8.8598 8.8940 10.1585 10.1845 10.5520 10.5538 13.2435 13.2550 13.9256 13.9598 14.1707 14.2204 14.7289 14.7775 k = 0.1780-0.3286-0.1978 ( 2543 PWs) bands (ev): -62.6920 -62.6920 -34.0902 -34.0897 -24.3801 -24.3775 -24.2665 -24.2658 -3.3883 -3.3803 -1.7625 -1.7623 4.7134 4.7139 7.0961 7.1020 8.0873 8.0987 8.6216 8.6648 8.8343 8.8755 10.1313 10.1538 10.5223 10.5248 13.2049 13.2130 13.9082 13.9402 14.2108 14.2595 14.7798 14.8269 k = 0.1864-0.3442-0.2072 ( 2539 PWs) bands (ev): -62.6916 -62.6916 -34.0919 -34.0913 -24.3830 -24.3802 -24.2716 -24.2708 -3.3408 -3.3324 -1.7488 -1.7487 4.7640 4.7643 7.0182 7.0236 8.0045 8.0165 8.6143 8.6580 8.8313 8.8728 10.1014 10.1207 10.4880 10.4941 13.1714 13.1766 13.8908 13.9210 14.2541 14.3023 14.8304 14.8762 k = 0.1949-0.3598-0.2167 ( 2539 PWs) bands (ev): -62.6911 -62.6911 -34.0936 -34.0931 -24.3862 -24.3834 -24.2766 -24.2757 -3.2918 -3.2829 -1.7349 -1.7344 4.8147 4.8148 6.9410 6.9457 7.9214 7.9342 8.5926 8.6304 8.8503 8.8858 10.0690 10.0853 10.4510 10.4601 13.1433 13.1463 13.8738 13.9024 14.3001 14.3481 14.8806 14.9253 k = 0.2034-0.3755-0.2261 ( 2537 PWs) bands (ev): -62.6906 -62.6906 -34.0954 -34.0948 -24.3898 -24.3868 -24.2813 -24.2804 -3.2412 -3.2319 -1.7205 -1.7197 4.8651 4.8652 6.8650 6.8687 7.8382 7.8519 8.5605 8.5916 8.8817 8.9102 10.0343 10.0481 10.4118 10.4233 13.1209 13.1223 13.8576 13.8849 14.3482 14.3962 14.9299 14.9737 k = 0.2119-0.3911-0.2355 ( 2539 PWs) bands (ev): -62.6901 -62.6901 -34.0972 -34.0966 -24.3937 -24.3907 -24.2857 -24.2848 -3.1893 -3.1795 -1.7059 -1.7047 4.9145 4.9147 6.7906 6.7930 7.7551 7.7698 8.5223 8.5479 8.9189 8.9419 9.9976 10.0092 10.3708 10.3839 13.1044 13.1046 13.8425 13.8685 14.3981 14.4463 14.9783 15.0213 k = 0.2203-0.4068-0.2449 ( 2533 PWs) bands (ev): -62.6896 -62.6896 -34.0990 -34.0984 -24.3980 -24.3950 -24.2899 -24.2889 -3.1360 -3.1257 -1.6908 -1.6892 4.9624 4.9628 6.7185 6.7193 7.6722 7.6883 8.4807 8.5022 8.9590 8.9778 9.9593 9.9690 10.3284 10.3425 13.0934 13.0937 13.8286 13.8536 14.4491 14.4978 15.0255 15.0678 k = 0.2288-0.4224-0.2543 ( 2539 PWs) bands (ev): -62.6891 -62.6891 -34.1008 -34.1003 -24.4028 -24.3997 -24.2937 -24.2927 -3.0815 -3.0707 -1.6755 -1.6734 5.0083 5.0085 6.6480 6.6493 7.5898 7.6074 8.4373 8.4558 9.0006 9.0162 9.9197 9.9278 10.2851 10.2996 13.0884 13.0890 13.8163 13.8402 14.5010 14.5502 15.0713 15.1130 k = 0.2373-0.4381-0.2638 ( 2543 PWs) bands (ev): -62.6886 -62.6886 -34.1027 -34.1021 -24.4078 -24.4047 -24.2972 -24.2962 -3.0260 -3.0146 -1.6599 -1.6572 5.0511 5.0512 6.5799 6.5838 7.5079 7.5274 8.3931 8.4094 9.0431 9.0560 9.8793 9.8859 10.2415 10.2560 13.0894 13.0900 13.8056 13.8286 14.5533 14.6032 15.1156 15.1568 k = 0.2458-0.4537-0.2732 ( 2545 PWs) bands (ev): -62.6881 -62.6881 -34.1046 -34.1040 -24.4132 -24.4101 -24.3004 -24.2993 -2.9694 -2.9576 -1.6441 -1.6409 5.0898 5.0901 6.5155 6.5227 7.4268 7.4485 8.3488 8.3632 9.0857 9.0964 9.8383 9.8436 10.1981 10.2122 13.0963 13.0965 13.7967 13.8189 14.6056 14.6561 15.1583 15.1991 k = 0.2542-0.4694-0.2826 ( 2550 PWs) bands (ev): -62.6876 -62.6876 -34.1064 -34.1059 -24.4189 -24.4159 -24.3032 -24.3022 -2.9120 -2.8996 -1.6281 -1.6242 5.1231 5.1242 6.4558 6.4669 7.3466 7.3709 8.3047 8.3176 9.1281 9.1368 9.7973 9.8012 10.1556 10.1689 13.1083 13.1086 13.7899 13.8112 14.6577 14.7088 15.1993 15.2397 k = 0.2627-0.4850-0.2920 ( 2552 PWs) bands (ev): -62.6871 -62.6871 -34.1083 -34.1077 -24.4248 -24.4218 -24.3057 -24.3048 -2.8538 -2.8409 -1.6120 -1.6074 5.1502 5.1522 6.4015 6.4173 7.2675 7.2949 8.2610 8.2727 9.1698 9.1766 9.7569 9.7591 10.1144 10.1269 13.1250 13.1260 13.7852 13.8057 14.7091 14.7608 15.2384 15.2786 k = 0.2712-0.5007-0.3014 ( 2546 PWs) bands (ev): -62.6866 -62.6866 -34.1101 -34.1096 -24.4310 -24.4280 -24.3080 -24.3071 -2.7951 -2.7815 -1.5958 -1.5905 5.1698 5.1732 6.3532 6.3747 7.1896 7.2206 8.2180 8.2288 9.2104 9.2150 9.7178 9.7178 10.0752 10.0868 13.1463 13.1480 13.7827 13.8025 14.7596 14.8117 15.2758 15.3157 k = 0.2797-0.5163-0.3109 ( 2547 PWs) bands (ev): -62.6861 -62.6861 -34.1120 -34.1114 -24.4373 -24.4344 -24.3100 -24.3091 -2.7359 -2.7217 -1.5795 -1.5735 5.1810 5.1860 6.3118 6.3399 7.1132 7.1484 8.1759 8.1858 9.2493 9.2514 9.6778 9.6808 10.0383 10.0493 13.1718 13.1744 13.7826 13.8016 14.8090 14.8612 15.3112 15.3509 k = 0.2881-0.5319-0.3203 ( 2543 PWs) bands (ev): -62.6856 -62.6856 -34.1138 -34.1132 -24.4437 -24.4409 -24.3117 -24.3109 -2.6763 -2.6615 -1.5632 -1.5564 5.1832 5.1900 6.2774 6.3131 7.0385 7.0786 8.1348 8.1440 9.2845 9.2857 9.6399 9.6472 10.0044 10.0149 13.2012 13.2045 13.7850 13.8032 14.8569 14.9090 15.3448 15.3842 k = 0.2966-0.5476-0.3297 ( 2541 PWs) bands (ev): -62.6851 -62.6851 -34.1156 -34.1150 -24.4502 -24.4475 -24.3133 -24.3125 -2.6166 -2.6012 -1.5470 -1.5393 5.1761 5.1849 6.2500 6.2942 6.9658 7.0115 8.0948 8.1034 9.3128 9.3187 9.6053 9.6187 9.9737 9.9842 13.2341 13.2380 13.7899 13.8073 14.9032 14.9548 15.3764 15.4156 k = 0.3051-0.5632-0.3391 ( 2541 PWs) bands (ev): -62.6847 -62.6847 -34.1174 -34.1168 -24.4568 -24.4542 -24.3146 -24.3139 -2.5569 -2.5409 -1.5309 -1.5223 5.1602 5.1708 6.2288 6.2824 6.8954 6.9476 8.0561 8.0640 9.3340 9.3463 9.5758 9.5975 9.9468 9.9577 13.2700 13.2744 13.7974 13.8139 14.9476 14.9984 15.4062 15.4451 k = 0.3136-0.5789-0.3485 ( 2539 PWs) bands (ev): -62.6842 -62.6842 -34.1191 -34.1186 -24.4633 -24.4608 -24.3158 -24.3152 -2.4974 -2.4807 -1.5149 -1.5054 5.1361 5.1483 6.2127 6.2764 6.8276 6.8873 8.0186 8.0260 9.3458 9.3659 9.5540 9.5860 9.9241 9.9359 13.3087 13.3133 13.8076 13.8232 14.9901 15.0395 15.4340 15.4727 k = 0.3220-0.5945-0.3580 ( 2541 PWs) bands (ev): -62.6837 -62.6837 -34.1208 -34.1203 -24.4698 -24.4674 -24.3169 -24.3163 -2.4383 -2.4209 -1.4991 -1.4887 5.1050 5.1185 6.2002 6.2745 6.7630 6.8310 7.9824 7.9894 9.3473 9.3741 9.5433 9.5851 9.9059 9.9191 13.3495 13.3542 13.8205 13.8351 15.0306 15.0781 15.4601 15.4985 k = 0.3305-0.6102-0.3674 ( 2539 PWs) bands (ev): -62.6833 -62.6833 -34.1224 -34.1219 -24.4762 -24.4739 -24.3178 -24.3173 -2.3796 -2.3615 -1.4836 -1.4722 5.0682 5.0827 6.1896 6.2749 6.7023 6.7793 7.9477 7.9542 9.3398 9.3699 9.5447 9.5931 9.8927 9.9078 13.3922 13.3966 13.8362 13.8497 15.0689 15.1138 15.4844 15.5223 k = 0.3390-0.6258-0.3768 ( 2543 PWs) bands (ev): -62.6828 -62.6828 -34.1241 -34.1236 -24.4825 -24.4803 -24.3187 -24.3182 -2.3217 -2.3030 -1.4684 -1.4560 5.0270 5.0421 6.1791 6.2753 6.6464 6.7326 7.9144 7.9205 9.3266 9.3568 9.5547 9.6068 9.8849 9.9020 13.4363 13.4402 13.8547 13.8670 15.1050 15.1467 15.5069 15.5444 k = 0.3475-0.6415-0.3862 ( 2543 PWs) bands (ev): -62.6824 -62.6824 -34.1256 -34.1251 -24.4887 -24.4866 -24.3194 -24.3190 -2.2648 -2.2453 -1.4536 -1.4402 4.9826 4.9979 6.1673 6.2732 6.5966 6.6913 7.8827 7.8884 9.3106 9.3392 9.5690 9.6230 9.8825 9.9016 13.4814 13.4844 13.8760 13.8871 15.1389 15.1767 15.5278 15.5646 k = 0.3559-0.6571-0.3956 ( 2545 PWs) bands (ev): -62.6820 -62.6820 -34.1271 -34.1267 -24.4946 -24.4927 -24.3200 -24.3197 -2.2089 -2.1889 -1.4392 -1.4248 4.9360 4.9514 6.1531 6.2663 6.5546 6.6556 7.8525 7.8579 9.2938 9.3203 9.5848 9.6398 9.8855 9.9063 13.5269 13.5286 13.9001 13.9098 15.1706 15.2037 15.5471 15.5832 k = 0.3644-0.6728-0.4051 ( 2545 PWs) bands (ev): -62.6816 -62.6816 -34.1285 -34.1281 -24.5004 -24.4985 -24.3206 -24.3203 -2.1545 -2.1338 -1.4252 -1.4099 4.8883 4.9034 6.1359 6.2523 6.5218 6.6254 7.8240 7.8290 9.2772 9.3016 9.6011 9.6562 9.8936 9.9155 13.5724 13.5726 13.9270 13.9354 15.2003 15.2278 15.5648 15.6000 k = 0.3729-0.6884-0.4145 ( 2544 PWs) bands (ev): -62.6813 -62.6813 -34.1299 -34.1295 -24.5059 -24.5041 -24.3211 -24.3208 -2.1015 -2.0803 -1.4118 -1.3956 4.8403 4.8549 6.1158 6.2307 6.4985 6.6001 7.7971 7.8017 9.2614 9.2837 9.6176 9.6720 9.9060 9.9284 13.6157 13.6174 13.9566 13.9636 15.2278 15.2490 15.5812 15.6153 k = 0.3814-0.7040-0.4239 ( 2542 PWs) bands (ev): -62.6809 -62.6809 -34.1312 -34.1308 -24.5111 -24.5095 -24.3215 -24.3213 -2.0504 -2.0287 -1.3989 -1.3819 4.7925 4.8066 6.0932 6.2023 6.4834 6.5791 7.7718 7.7761 9.2467 9.2670 9.6343 9.6874 9.9220 9.9442 13.6575 13.6612 13.9889 13.9946 15.2535 15.2674 15.5962 15.6290 k = 0.3898-0.7197-0.4333 ( 2544 PWs) bands (ev): -62.6806 -62.6806 -34.1324 -34.1321 -24.5161 -24.5146 -24.3219 -24.3217 -2.0013 -1.9792 -1.3867 -1.3689 4.7458 4.7591 6.0687 6.1695 6.4742 6.5617 7.7482 7.7522 9.2333 9.2517 9.6515 9.7026 9.9405 9.9620 13.6977 13.7035 14.0235 14.0283 15.2773 15.2833 15.6099 15.6412 k = 0.3983-0.7353-0.4427 ( 2542 PWs) bands (ev): -62.6803 -62.6803 -34.1336 -34.1332 -24.5208 -24.5194 -24.3223 -24.3221 -1.9544 -1.9322 -1.3751 -1.3567 4.7005 4.7130 6.0432 6.1345 6.4686 6.5469 7.7263 7.7299 9.2210 9.2376 9.6693 9.7177 9.9608 9.9812 13.7359 13.7437 14.0603 14.0644 15.2969 15.2995 15.6224 15.6520 k = 0.4068-0.7510-0.4522 ( 2544 PWs) bands (ev): -62.6800 -62.6800 -34.1346 -34.1343 -24.5251 -24.5239 -24.3226 -24.3224 -1.9100 -1.8877 -1.3641 -1.3454 4.6572 4.6687 6.0175 6.0992 6.4651 6.5342 7.7061 7.7094 9.2099 9.2247 9.6875 9.7329 9.9822 10.0011 13.7719 13.7814 14.0987 14.1027 15.3084 15.3202 15.6339 15.6614 k = 0.4153-0.7666-0.4616 ( 2546 PWs) bands (ev): -62.6797 -62.6797 -34.1356 -34.1354 -24.5292 -24.5280 -24.3228 -24.3227 -1.8683 -1.8462 -1.3539 -1.3350 4.6162 4.6268 5.9924 6.0647 6.4625 6.5229 7.6876 7.6906 9.1999 9.2131 9.7059 9.7479 10.0041 10.0213 13.8055 13.8162 14.1384 14.1427 15.3182 15.3393 15.6443 15.6696 k = 0.4237-0.7823-0.4710 ( 2549 PWs) bands (ev): -62.6795 -62.6795 -34.1365 -34.1363 -24.5329 -24.5318 -24.3230 -24.3229 -1.8295 -1.8079 -1.3444 -1.3256 4.5781 4.5877 5.9685 6.0319 6.4605 6.5128 7.6708 7.6735 9.1909 9.2026 9.7242 9.7625 10.0259 10.0413 13.8366 13.8481 14.1785 14.1837 15.3268 15.3572 15.6537 15.6766 k = 0.4322-0.7979-0.4804 ( 2547 PWs) bands (ev): -62.6792 -62.6792 -34.1373 -34.1371 -24.5362 -24.5353 -24.3232 -24.3231 -1.7938 -1.7730 -1.3356 -1.3173 4.5430 4.5516 5.9463 6.0014 6.4587 6.5035 7.6558 7.6582 9.1830 9.1932 9.7420 9.7763 10.0472 10.0608 13.8649 13.8768 14.2186 14.2249 15.3344 15.3736 15.6623 15.6826 k = 0.4407-0.8136-0.4898 ( 2547 PWs) bands (ev): -62.6790 -62.6790 -34.1381 -34.1379 -24.5392 -24.5383 -24.3234 -24.3233 -1.7615 -1.7419 -1.3275 -1.3101 4.5114 4.5189 5.9263 5.9735 6.4571 6.4950 7.6426 7.6447 9.1761 9.1848 9.7589 9.7891 10.0676 10.0792 13.8905 13.9022 14.2577 14.2654 15.3418 15.3886 15.6700 15.6875 k = 0.4492-0.8292-0.4993 ( 2553 PWs) bands (ev): -62.6789 -62.6789 -34.1387 -34.1385 -24.5418 -24.5410 -24.3235 -24.3235 -1.7327 -1.7146 -1.3202 -1.3041 4.4834 4.4899 5.9088 5.9486 6.4556 6.4873 7.6311 7.6329 9.1702 9.1776 9.7746 9.8006 10.0866 10.0963 13.9133 13.9242 14.2950 14.3039 15.3495 15.4019 15.6769 15.6916 k = 0.4576-0.8449-0.5087 ( 2553 PWs) bands (ev): -62.6787 -62.6787 -34.1392 -34.1391 -24.5439 -24.5433 -24.3236 -24.3236 -1.7076 -1.6916 -1.3137 -1.2993 4.4594 4.4648 5.8941 5.9267 6.4545 6.4802 7.6214 7.6229 9.1653 9.1714 9.7887 9.8103 10.1037 10.1115 13.9330 13.9428 14.3296 14.3392 15.3579 15.4129 15.6830 15.6949 k = 0.4661-0.8605-0.5181 ( 2551 PWs) bands (ev): -62.6786 -62.6786 -34.1397 -34.1395 -24.5457 -24.5452 -24.3237 -24.3237 -1.6864 -1.6729 -1.3079 -1.2957 4.4396 4.4439 5.8823 5.9081 6.4538 6.4740 7.6134 7.6146 9.1614 9.1662 9.8009 9.8182 10.1185 10.1246 13.9495 13.9579 14.3605 14.3701 15.3674 15.4210 15.6884 15.6974 k = 0.4746-0.8762-0.5275 ( 2551 PWs) bands (ev): -62.6785 -62.6785 -34.1400 -34.1399 -24.5471 -24.5467 -24.3238 -24.3238 -1.6692 -1.6587 -1.3030 -1.2934 4.4241 4.4273 5.8737 5.8928 6.4536 6.4685 7.6073 7.6082 9.1585 9.1620 9.8111 9.8240 10.1306 10.1351 13.9629 13.9694 14.3865 14.3951 15.3783 15.4255 15.6929 15.6994 k = 0.4831-0.8918-0.5369 ( 2548 PWs) bands (ev): -62.6784 -62.6784 -34.1402 -34.1402 -24.5481 -24.5478 -24.3238 -24.3238 -1.6563 -1.6490 -1.2989 -1.2922 4.4131 4.4152 5.8683 5.8810 6.4540 6.4639 7.6029 7.6035 9.1566 9.1589 9.8191 9.8277 10.1397 10.1426 13.9728 13.9773 14.4068 14.4133 15.3902 15.4257 15.6965 15.7007 k = 0.4915-0.9074-0.5464 ( 2548 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1403 -24.5486 -24.5485 -24.3239 -24.3239 -1.6477 -1.6440 -1.2957 -1.2923 4.4066 4.4077 5.8663 5.8726 6.4552 6.4601 7.6004 7.6007 9.1556 9.1568 9.8247 9.8290 10.1456 10.1470 13.9793 13.9816 14.4202 14.4237 15.4022 15.4214 15.6991 15.7012 k = 0.5000-0.9231-0.5558 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.6435 -1.6435 -1.2935 -1.2935 4.4048 4.4048 5.8677 5.8677 6.4573 6.4573 7.5996 7.5996 9.1557 9.1557 9.8280 9.8280 10.1480 10.1480 13.9822 13.9822 14.4260 14.4260 15.4131 15.4131 15.7007 15.7007 k = 0.5000-0.9231-0.5558 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.6435 -1.6435 -1.2935 -1.2935 4.4048 4.4048 5.8677 5.8677 6.4573 6.4573 7.5996 7.5996 9.1557 9.1557 9.8280 9.8280 10.1480 10.1480 13.9822 13.9822 14.4260 14.4260 15.4131 15.4131 15.7007 15.7007 k = 0.5000-0.9128-0.5729 ( 2550 PWs) bands (ev): -62.6784 -62.6784 -34.1406 -34.1402 -24.5494 -24.5480 -24.3241 -24.3239 -1.6480 -1.6378 -1.2937 -1.2927 4.4038 4.4089 5.8659 5.8674 6.4546 6.4603 7.5971 7.6020 9.1527 9.1576 9.7722 9.8772 10.0909 10.2030 13.9695 13.9941 14.4022 14.4496 15.4087 15.4225 15.6838 15.7078 k = 0.5000-0.9025-0.5899 ( 2548 PWs) bands (ev): -62.6784 -62.6784 -34.1409 -34.1400 -24.5500 -24.5471 -24.3246 -24.3243 -1.6513 -1.6309 -1.2934 -1.2913 4.4058 4.4160 5.8620 5.8648 6.4522 6.4637 7.5944 7.6043 9.1485 9.1584 9.7113 9.9127 10.0386 10.2545 13.9558 14.0050 14.3785 14.4731 15.4084 15.4371 15.6574 15.7060 k = 0.5000-0.8922-0.6070 ( 2548 PWs) bands (ev): -62.6783 -62.6783 -34.1412 -34.1398 -24.5505 -24.5460 -24.3254 -24.3249 -1.6533 -1.6228 -1.2924 -1.2893 4.4109 4.4261 5.8558 5.8599 6.4502 6.4675 7.5917 7.6066 9.1427 9.1583 9.6458 9.9048 10.0211 10.3022 13.9411 14.0149 14.3550 14.4962 15.4104 15.4568 15.6227 15.6973 k = 0.5000-0.8819-0.6241 ( 2544 PWs) bands (ev): -62.6783 -62.6783 -34.1416 -34.1397 -24.5508 -24.5449 -24.3264 -24.3258 -1.6541 -1.6135 -1.2909 -1.2867 4.4190 4.4392 5.8474 5.8528 6.4485 6.4718 7.5889 7.6088 9.1349 9.1571 9.5764 9.8466 10.0455 10.3463 13.9254 14.0233 14.3323 14.5189 15.4113 15.4811 15.5815 15.6857 k = 0.5000-0.8717-0.6412 ( 2544 PWs) bands (ev): -62.6783 -62.6783 -34.1419 -34.1396 -24.5510 -24.5436 -24.3277 -24.3270 -1.6536 -1.6031 -1.2889 -1.2836 4.4301 4.4553 5.8368 5.8434 6.4472 6.4766 7.5863 7.6113 9.1245 9.1549 9.5038 9.7711 10.0793 10.3870 13.9085 14.0298 14.3108 14.5412 15.4057 15.5066 15.5386 15.6774 k = 0.5000-0.8614-0.6583 ( 2550 PWs) bands (ev): -62.6782 -62.6782 -34.1424 -34.1395 -24.5512 -24.5423 -24.3293 -24.3284 -1.6520 -1.5916 -1.2863 -1.2800 4.4442 4.4743 5.8239 5.8318 6.4463 6.4819 7.5838 7.6140 9.1103 9.1515 9.4292 9.6880 10.1134 10.4246 13.8902 14.0337 14.2913 14.5629 15.3873 15.4812 15.5480 15.6790 k = 0.5000-0.8511-0.6754 ( 2552 PWs) bands (ev): -62.6782 -62.6782 -34.1428 -34.1395 -24.5513 -24.5408 -24.3310 -24.3302 -1.6492 -1.5791 -1.2832 -1.2759 4.4612 4.4962 5.8088 5.8179 6.4459 6.4878 7.5818 7.6173 9.0901 9.1469 9.3546 9.5997 10.1462 10.4597 13.8703 14.0338 14.2749 14.5842 15.3537 15.4308 15.5849 15.6938 k = 0.5000-0.8408-0.6924 ( 2556 PWs) bands (ev): -62.6781 -62.6781 -34.1432 -34.1395 -24.5512 -24.5392 -24.3331 -24.3322 -1.6453 -1.5655 -1.2796 -1.2713 4.4812 4.5209 5.7914 5.8018 6.4460 6.4944 7.5801 7.6211 9.0603 9.1408 9.2837 9.5074 10.1774 10.4925 13.8486 14.0291 14.2628 14.6047 15.3076 15.3779 15.6267 15.7208 k = 0.5000-0.8305-0.7095 ( 2552 PWs) bands (ev): -62.6780 -62.6780 -34.1437 -34.1395 -24.5511 -24.5375 -24.3352 -24.3344 -1.6403 -1.5510 -1.2756 -1.2662 4.5041 4.5484 5.7717 5.7835 6.4466 6.5015 7.5791 7.6257 9.0156 9.1331 9.2214 9.4126 10.2071 10.5235 13.8251 14.0184 14.2558 14.6246 15.2543 15.3228 15.6726 15.7568 k = 0.5000-0.8202-0.7266 ( 2550 PWs) bands (ev): -62.6780 -62.6780 -34.1442 -34.1396 -24.5509 -24.5357 -24.3376 -24.3368 -1.6342 -1.5357 -1.2711 -1.2607 4.5297 4.5787 5.7498 5.7632 6.4479 6.5092 7.5787 7.6311 8.9527 9.1228 9.1699 9.3179 10.2356 10.5530 13.7994 14.0015 14.2543 14.6434 15.1980 15.2660 15.7220 15.7987 k = 0.5000-0.8099-0.7437 ( 2546 PWs) bands (ev): -62.6779 -62.6779 -34.1446 -34.1397 -24.5506 -24.5338 -24.3401 -24.3395 -1.6271 -1.5195 -1.2663 -1.2548 4.5582 4.6116 5.7259 5.7410 6.4498 6.5174 7.5790 7.6376 8.8743 9.1021 9.1281 9.2304 10.2632 10.5816 13.7714 13.9787 14.2576 14.6610 15.1419 15.2084 15.7743 15.8444 k = 0.5000-0.7997-0.7608 ( 2546 PWs) bands (ev): -62.6778 -62.6778 -34.1452 -34.1398 -24.5503 -24.5319 -24.3429 -24.3423 -1.6191 -1.5026 -1.2611 -1.2486 4.5893 4.6471 5.7000 5.7170 6.4523 6.5260 7.5798 7.6452 8.7856 9.0405 9.1074 9.1648 10.2901 10.6096 13.7411 13.9507 14.2646 14.6767 15.0881 15.1511 15.8288 15.8925 k = 0.5000-0.7894-0.7779 ( 2556 PWs) bands (ev): -62.6777 -62.6777 -34.1457 -34.1399 -24.5499 -24.5298 -24.3459 -24.3453 -1.6101 -1.4851 -1.2556 -1.2420 4.6231 4.6850 5.6724 5.6914 6.4555 6.5348 7.5813 7.6538 8.6911 8.9484 9.0921 9.1229 10.3167 10.6373 13.7084 13.9183 14.2741 14.6894 15.0392 15.0951 15.8846 15.9420 k = 0.5000-0.7791-0.7949 ( 2552 PWs) bands (ev): -62.6776 -62.6776 -34.1462 -34.1401 -24.5495 -24.5276 -24.3491 -24.3482 -1.6004 -1.4671 -1.2498 -1.2352 4.6594 4.7254 5.6433 5.6644 6.4594 6.5438 7.5830 7.6636 8.5934 8.8441 9.0761 9.0913 10.3432 10.6651 13.6734 13.8822 14.2851 14.6971 14.9978 15.0415 15.9408 15.9924 k = 0.5000-0.7688-0.8120 ( 2554 PWs) bands (ev): -62.6775 -62.6775 -34.1468 -34.1402 -24.5490 -24.5254 -24.3525 -24.3512 -1.5899 -1.4486 -1.2439 -1.2282 4.6982 4.7680 5.6130 5.6362 6.4638 6.5527 7.5848 7.6745 8.4944 8.7348 9.0586 9.0629 10.3699 10.6933 13.6361 13.8428 14.2964 14.6972 14.9671 14.9919 15.9963 16.0436 k = 0.5000-0.7585-0.8291 ( 2554 PWs) bands (ev): -62.6774 -62.6774 -34.1473 -34.1404 -24.5485 -24.5232 -24.3560 -24.3542 -1.5787 -1.4298 -1.2378 -1.2210 4.7394 4.8127 5.5818 5.6071 6.4688 6.5614 7.5860 7.6863 8.3958 8.6232 9.0351 9.0395 10.3970 10.7222 13.5967 13.8003 14.3070 14.6875 14.9404 14.9568 16.0500 16.0958 k = 0.5000-0.7482-0.8462 ( 2554 PWs) bands (ev): -62.6773 -62.6773 -34.1478 -34.1406 -24.5480 -24.5209 -24.3597 -24.3572 -1.5670 -1.4107 -1.2316 -1.2137 4.7829 4.8595 5.5499 5.5773 6.4742 6.5694 7.5859 7.6989 8.2992 8.5110 9.0068 9.0187 10.4247 10.7520 13.5555 13.7549 14.3158 14.6683 14.9023 14.9529 16.1009 16.1494 k = 0.5000-0.7380-0.8633 ( 2556 PWs) bands (ev): -62.6772 -62.6772 -34.1484 -34.1409 -24.5476 -24.5185 -24.3635 -24.3603 -1.5547 -1.3916 -1.2254 -1.2063 4.8284 4.9081 5.5177 5.5472 6.4799 6.5767 7.5833 7.7121 8.2064 8.3991 8.9777 8.9964 10.4531 10.7829 13.5126 13.7070 14.3217 14.6425 14.8687 14.9629 16.1486 16.2040 k = 0.5000-0.7277-0.8804 ( 2558 PWs) bands (ev): -62.6771 -62.6771 -34.1489 -34.1411 -24.5471 -24.5161 -24.3673 -24.3632 -1.5421 -1.3726 -1.2193 -1.1989 4.8760 4.9583 5.4854 5.5170 6.4859 6.5826 7.5764 7.7253 8.1197 8.2887 8.9477 8.9726 10.4823 10.8152 13.4683 13.6565 14.3239 14.6136 14.8427 14.9817 16.1934 16.2590 k = 0.5000-0.7174-0.8974 ( 2556 PWs) bands (ev): -62.6770 -62.6770 -34.1494 -34.1413 -24.5466 -24.5137 -24.3711 -24.3661 -1.5292 -1.3537 -1.2132 -1.1915 4.9255 5.0099 5.4535 5.4870 6.4919 6.5870 7.5630 7.7380 8.0413 8.1817 8.9168 8.9476 10.5124 10.8488 13.4229 13.6039 14.3218 14.5841 14.8251 15.0065 16.2355 16.3137 k = 0.5000-0.7071-0.9145 ( 2556 PWs) bands (ev): -62.6769 -62.6769 -34.1499 -34.1416 -24.5461 -24.5114 -24.3750 -24.3689 -1.5161 -1.3353 -1.2073 -1.1842 4.9765 5.0627 5.4223 5.4576 6.4978 6.5893 7.5404 7.7486 7.9724 8.0820 8.8852 8.9216 10.5434 10.8839 13.3769 13.5493 14.3152 14.5557 14.8165 15.0357 16.2753 16.3675 k = 0.5000-0.6968-0.9316 ( 2552 PWs) bands (ev): -62.6767 -62.6767 -34.1504 -34.1418 -24.5457 -24.5090 -24.3787 -24.3716 -1.5029 -1.3173 -1.2017 -1.1769 5.0289 5.1163 5.3922 5.4292 6.5032 6.5890 7.5071 7.7536 7.9099 7.9989 8.8532 8.8949 10.5753 10.9204 13.3304 13.4932 14.3049 14.5291 14.8165 15.0681 16.3128 16.4200 k = 0.5000-0.6865-0.9487 ( 2554 PWs) bands (ev): -62.6766 -62.6766 -34.1509 -34.1420 -24.5453 -24.5067 -24.3825 -24.3742 -1.4898 -1.3001 -1.1963 -1.1697 5.0823 5.1699 5.3638 5.4023 6.5076 6.5857 7.4640 7.7397 7.8541 7.9457 8.8211 8.8680 10.6078 10.9582 13.2838 13.4359 14.2919 14.5048 14.8241 15.1030 16.3480 16.4708 k = 0.5000-0.6762-0.9658 ( 2558 PWs) bands (ev): -62.6766 -62.6766 -34.1513 -34.1423 -24.5450 -24.5045 -24.3861 -24.3766 -1.4769 -1.2838 -1.1914 -1.1626 5.1359 5.2224 5.3379 5.3779 6.5101 6.5795 7.4145 7.6841 7.8282 7.9194 8.7894 8.8411 10.6408 10.9971 13.2378 13.3782 14.2774 14.4831 14.8381 15.1399 16.3808 16.5196 k = 0.5000-0.6660-0.9828 ( 2554 PWs) bands (ev): -62.6765 -62.6765 -34.1517 -34.1425 -24.5448 -24.5024 -24.3895 -24.3788 -1.4642 -1.2686 -1.1869 -1.1556 5.1878 5.2687 5.3181 5.3594 6.5090 6.5713 7.3632 7.6028 7.8245 7.9084 8.7587 8.8148 10.6739 11.0369 13.1926 13.3205 14.2628 14.4642 14.8572 15.1782 16.4112 16.5661 k = 0.5000-0.6557-0.9999 ( 2552 PWs) bands (ev): -62.6764 -62.6764 -34.1521 -34.1427 -24.5446 -24.5003 -24.3927 -24.3808 -1.4520 -1.2548 -1.1829 -1.1488 5.2296 5.2883 5.3145 5.3650 6.5009 6.5636 7.3142 7.5169 7.8259 7.9052 8.7297 8.7898 10.7069 11.0770 13.1489 13.2637 14.2489 14.4483 14.8803 15.2176 16.4389 16.6098 k = 0.5000-0.6454-1.0170 ( 2552 PWs) bands (ev): -62.6763 -62.6763 -34.1525 -34.1429 -24.5444 -24.4985 -24.3957 -24.3826 -1.4404 -1.2425 -1.1795 -1.1420 5.2382 5.2881 5.3323 5.4051 6.4830 6.5591 7.2703 7.4336 7.8275 7.9052 8.7031 8.7665 10.7391 11.1169 13.1073 13.2086 14.2365 14.4354 14.9062 15.2577 16.4638 16.6503 k = 0.5000-0.6351-1.0341 ( 2550 PWs) bands (ev): -62.6762 -62.6762 -34.1528 -34.1431 -24.5443 -24.4968 -24.3984 -24.3842 -1.4295 -1.2319 -1.1768 -1.1355 5.2259 5.2747 5.3783 5.4530 6.4560 6.5577 7.2331 7.3557 7.8277 7.9055 8.6798 8.7458 10.7701 11.1558 13.0686 13.1563 14.2262 14.4254 14.9341 15.2980 16.4857 16.6873 k = 0.5000-0.6248-1.0512 ( 2560 PWs) bands (ev): -62.6762 -62.6762 -34.1531 -34.1433 -24.5443 -24.4954 -24.4008 -24.3855 -1.4194 -1.2231 -1.1748 -1.1292 5.2110 5.2599 5.4294 5.5003 6.4229 6.5580 7.2029 7.2850 7.8255 7.9040 8.6606 8.7282 10.7990 11.1929 13.0335 13.1080 14.2183 14.4183 14.9631 15.3380 16.5045 16.7202 k = 0.5000-0.6145-1.0683 ( 2556 PWs) bands (ev): -62.6761 -62.6761 -34.1533 -34.1434 -24.5443 -24.4942 -24.4028 -24.3866 -1.4103 -1.2162 -1.1735 -1.1234 5.1973 5.2467 5.4794 5.5444 6.3869 6.5592 7.1787 7.2239 7.8204 7.8991 8.6461 8.7145 10.8253 11.2269 13.0030 13.0650 14.2130 14.4138 14.9926 15.3773 16.5200 16.7485 k = 0.5000-0.6042-1.0853 ( 2558 PWs) bands (ev): -62.6761 -62.6761 -34.1535 -34.1436 -24.5443 -24.4933 -24.4043 -24.3874 -1.4024 -1.2112 -1.1732 -1.1182 5.1859 5.2359 5.5257 5.5836 6.3514 6.5617 7.1533 7.1795 7.8117 7.8901 8.6369 8.7050 10.8479 11.2567 12.9780 13.0287 14.2103 14.4120 15.0219 15.4152 16.5323 16.7717 k = 0.5000-0.5940-1.1024 ( 2558 PWs) bands (ev): -62.6760 -62.6760 -34.1536 -34.1436 -24.5443 -24.4926 -24.4055 -24.3880 -1.3958 -1.2080 -1.1737 -1.1138 5.1772 5.2277 5.5658 5.6162 6.3204 6.5660 7.1168 7.1612 7.7992 7.8765 8.6334 8.7004 10.8662 11.2809 12.9591 13.0006 14.2103 14.4124 15.0502 15.4511 16.5412 16.7895 k = 0.5000-0.5837-1.1195 ( 2560 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5444 -24.4922 -24.4062 -24.3884 -1.3906 -1.2065 -1.1753 -1.1106 5.1715 5.2224 5.5969 5.6410 6.2978 6.5737 7.0835 7.1538 7.7825 7.8581 8.6353 8.7007 10.8792 11.2982 12.9472 12.9824 14.2129 14.4149 15.0767 15.4843 16.5469 16.8015 k = 0.5000-0.5734-1.1366 ( 2558 PWs) bands (ev): -62.6760 -62.6760 -34.1538 -34.1437 -24.5444 -24.4921 -24.4064 -24.3885 -1.3871 -1.2067 -1.1778 -1.1088 5.1689 5.2202 5.6166 5.6568 6.2872 6.5862 7.0583 7.1512 7.7619 7.8355 8.6425 8.7060 10.8864 11.3076 12.9428 12.9753 14.2178 14.4192 15.1009 15.5140 16.5496 16.8076 k = 0.5000-0.5631-1.1537 ( 2560 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5444 -24.4922 -24.4062 -24.3884 -1.3852 -1.2086 -1.1814 -1.1085 5.1696 5.2211 5.6232 5.6630 6.2911 6.6046 7.0413 7.1520 7.7376 7.8090 8.6545 8.7161 10.8872 11.3080 12.9465 12.9799 14.2249 14.4249 15.1217 15.5391 16.5493 16.8078 k = 0.5000-0.5528-1.1708 ( 2562 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5443 -24.4925 -24.4056 -24.3881 -1.3853 -1.2120 -1.1861 -1.1102 5.1735 5.2253 5.6174 5.6601 6.3100 6.6296 7.0317 7.1554 7.7099 7.7794 8.6705 8.7308 10.8813 11.2993 12.9589 12.9965 14.2339 14.4319 15.1383 15.5588 16.5465 16.8023 k = 0.5000-0.5425-1.1878 ( 2562 PWs) bands (ev): -62.6761 -62.6761 -34.1535 -34.1436 -24.5441 -24.4930 -24.4046 -24.3876 -1.3873 -1.2168 -1.1919 -1.1138 5.1807 5.2328 5.6011 5.6490 6.3422 6.6607 7.0288 7.1611 7.6793 7.7475 8.6900 8.7495 10.8686 11.2815 12.9800 13.0244 14.2446 14.4396 15.1499 15.5721 16.5412 16.7914 k = 0.8187-0.4617-1.0353 ( 2562 PWs) bands (ev): -62.6761 -62.6761 -34.1535 -34.1436 -24.5441 -24.4930 -24.4046 -24.3876 -1.3873 -1.2168 -1.1919 -1.1138 5.1807 5.2328 5.6011 5.6490 6.3422 6.6607 7.0288 7.1611 7.6793 7.7475 8.6900 8.7495 10.8686 11.2815 12.9800 13.0244 14.2446 14.4396 15.1499 15.5721 16.5412 16.7914 k = 0.8138-0.4526-1.0179 ( 2560 PWs) bands (ev): -62.6761 -62.6761 -34.1533 -34.1434 -24.5438 -24.4935 -24.4032 -24.3868 -1.3915 -1.2233 -1.1991 -1.1198 5.1914 5.2438 5.5773 5.6310 6.3857 6.6974 7.0321 7.1689 7.6459 7.7134 8.7128 8.7721 10.8491 11.2547 13.0104 13.0635 14.2568 14.4479 15.1556 15.5781 16.5334 16.7754 k = 0.8088-0.4434-1.0005 ( 2560 PWs) bands (ev): -62.6762 -62.6762 -34.1530 -34.1432 -24.5434 -24.4942 -24.4016 -24.3859 -1.3981 -1.2312 -1.2075 -1.1280 5.2052 5.2581 5.5494 5.6084 6.4372 6.7375 7.0416 7.1788 7.6108 7.6784 8.7381 8.7979 10.8233 11.2202 13.0490 13.1122 14.2701 14.4564 15.1541 15.5754 16.5232 16.7551 k = 0.8038-0.4342-0.9832 ( 2554 PWs) bands (ev): -62.6763 -62.6763 -34.1526 -34.1429 -24.5428 -24.4948 -24.3997 -24.3849 -1.4069 -1.2406 -1.2173 -1.1388 5.2220 5.2755 5.5203 5.5832 6.4941 6.7785 7.0571 7.1909 7.5745 7.6433 8.7655 8.8263 10.7920 11.1791 13.0951 13.1692 14.2840 14.4645 15.1447 15.5634 16.5107 16.7312 k = 0.7988-0.4250-0.9658 ( 2546 PWs) bands (ev): -62.6764 -62.6764 -34.1522 -34.1426 -24.5421 -24.4953 -24.3975 -24.3836 -1.4183 -1.2515 -1.2284 -1.1519 5.2411 5.2957 5.4925 5.5574 6.5544 6.8178 7.0786 7.2061 7.5376 7.6088 8.7944 8.8567 10.7558 11.1327 13.1475 13.2327 14.2981 14.4721 15.1268 15.5415 16.4958 16.7043 k = 0.7938-0.4158-0.9484 ( 2546 PWs) bands (ev): -62.6765 -62.6765 -34.1517 -34.1422 -24.5412 -24.4958 -24.3952 -24.3823 -1.4321 -1.2640 -1.2409 -1.1674 5.2614 5.3179 5.4684 5.5334 6.6162 6.8531 7.1051 7.2258 7.5007 7.5757 8.8247 8.8888 10.7157 11.0824 13.2051 13.3011 14.3121 14.4786 15.1001 15.5093 16.4787 16.6750 k = 0.7889-0.4066-0.9310 ( 2544 PWs) bands (ev): -62.6766 -62.6766 -34.1511 -34.1418 -24.5400 -24.4962 -24.3927 -24.3808 -1.4484 -1.2782 -1.2549 -1.1851 5.2811 5.3402 5.4514 5.5139 6.6780 6.8830 7.1340 7.2522 7.4646 7.5451 8.8559 8.9220 10.6724 11.0292 13.2670 13.3727 14.3255 14.4837 15.0645 15.4668 16.4596 16.6438 k = 0.7839-0.3974-0.9137 ( 2542 PWs) bands (ev): -62.6768 -62.6768 -34.1504 -34.1413 -24.5386 -24.4963 -24.3901 -24.3793 -1.4673 -1.2944 -1.2703 -1.2049 5.2968 5.3580 5.4464 5.5029 6.7384 6.9072 7.1611 7.2873 7.4306 7.5182 8.8878 8.9561 10.6270 10.9743 13.3318 13.4459 14.3379 14.4873 15.0204 15.4145 16.4391 16.6111 k = 0.7789-0.3882-0.8963 ( 2546 PWs) bands (ev): -62.6770 -62.6770 -34.1497 -34.1407 -24.5370 -24.4963 -24.3874 -24.3776 -1.4888 -1.3131 -1.2870 -1.2262 5.3056 5.3656 5.4589 5.5054 6.7957 6.9264 7.1838 7.3263 7.4038 7.4972 8.9203 8.9907 10.5801 10.9185 13.3985 13.5190 14.3489 14.4889 14.9686 15.3528 16.4179 16.5774 k = 0.7739-0.3790-0.8789 ( 2544 PWs) bands (ev): -62.6772 -62.6772 -34.1489 -34.1401 -24.5351 -24.4961 -24.3847 -24.3758 -1.5128 -1.3348 -1.3048 -1.2487 5.3074 5.3633 5.4866 5.5237 6.8482 6.9414 7.2011 7.3371 7.4126 7.4869 8.9529 9.0255 10.5326 10.8628 13.4660 13.5903 14.3581 14.4884 14.9102 15.2827 16.3966 16.5429 k = 0.7689-0.3698-0.8616 ( 2544 PWs) bands (ev): -62.6774 -62.6774 -34.1480 -34.1394 -24.5330 -24.4956 -24.3818 -24.3740 -1.5394 -1.3600 -1.3235 -1.2719 5.3059 5.3563 5.5240 5.5552 6.8941 6.9530 7.2127 7.3139 7.4488 7.5021 8.9856 9.0604 10.4852 10.8078 13.5334 13.6581 14.3653 14.4856 14.8468 15.2054 16.3760 16.5083 k = 0.7640-0.3606-0.8442 ( 2542 PWs) bands (ev): -62.6776 -62.6776 -34.1470 -34.1387 -24.5305 -24.4949 -24.3790 -24.3722 -1.5684 -1.3892 -1.3429 -1.2955 5.3045 5.3487 5.5681 5.5956 6.9320 6.9617 7.2174 7.2857 7.4719 7.5553 9.0182 9.0950 10.4385 10.7541 13.5996 13.7205 14.3698 14.4805 14.7803 15.1221 16.3564 16.4738 k = 0.7590-0.3514-0.8268 ( 2548 PWs) bands (ev): -62.6779 -62.6779 -34.1460 -34.1379 -24.5279 -24.4939 -24.3761 -24.3703 -1.5999 -1.4225 -1.3629 -1.3192 5.3052 5.3427 5.6174 5.6421 6.9588 6.9701 7.2148 7.2584 7.4997 7.6233 9.0505 9.1293 10.3931 10.7023 13.6637 13.7753 14.3713 14.4728 14.7134 15.0343 16.3382 16.4400 k = 0.7540-0.3422-0.8095 ( 2548 PWs) bands (ev): -62.6781 -62.6781 -34.1449 -34.1370 -24.5249 -24.4926 -24.3732 -24.3683 -1.6338 -1.4595 -1.3836 -1.3431 5.3092 5.3395 5.6712 5.6933 6.9671 6.9862 7.2059 7.2333 7.5389 7.6960 9.0824 9.1629 10.3495 10.6529 13.7248 13.8202 14.3688 14.4630 14.6493 14.9436 16.3215 16.4069 k = 0.7490-0.3330-0.7921 ( 2546 PWs) bands (ev): -62.6784 -62.6784 -34.1437 -34.1360 -24.5216 -24.4910 -24.3703 -24.3663 -1.6700 -1.5001 -1.4049 -1.3673 5.3169 5.3397 5.7288 5.7482 6.9682 6.9996 7.1918 7.2115 7.5881 7.7709 9.1137 9.1958 10.3081 10.6061 13.7818 13.8526 14.3601 14.4517 14.5921 14.8519 16.3061 16.3749 k = 0.7440-0.3238-0.7747 ( 2544 PWs) bands (ev): -62.6787 -62.6787 -34.1424 -34.1350 -24.5180 -24.4891 -24.3674 -24.3643 -1.7085 -1.5437 -1.4269 -1.3917 5.3286 5.3438 5.7899 5.8063 6.9664 7.0070 7.1744 7.1932 7.6448 7.8472 9.1444 9.2279 10.2692 10.5624 13.8331 13.8704 14.3426 14.4403 14.5457 14.7614 16.2920 16.3438 k = 0.7391-0.3146-0.7574 ( 2544 PWs) bands (ev): -62.6791 -62.6791 -34.1411 -34.1339 -24.5141 -24.4870 -24.3645 -24.3622 -1.7491 -1.5902 -1.4495 -1.4166 5.3445 5.3518 5.8538 5.8673 6.9625 7.0091 7.1561 7.1772 7.7066 7.9240 9.1743 9.2590 10.2333 10.5219 13.8626 13.8867 14.3162 14.4280 14.5125 14.6752 16.2786 16.3137 k = 0.7341-0.3054-0.7400 ( 2538 PWs) bands (ev): -62.6794 -62.6794 -34.1397 -34.1328 -24.5100 -24.4845 -24.3616 -24.3601 -1.7918 -1.6393 -1.4727 -1.4418 5.3636 5.3648 5.9203 5.9309 6.9566 7.0066 7.1390 7.1626 7.7719 8.0011 9.2034 9.2891 10.2003 10.4848 13.8471 13.9228 14.2853 14.4085 14.4922 14.5993 16.2655 16.2846 k = 0.7291-0.2962-0.7226 ( 2538 PWs) bands (ev): -62.6798 -62.6798 -34.1382 -34.1316 -24.5056 -24.4817 -24.3587 -24.3580 -1.8364 -1.6906 -1.4964 -1.4675 5.3800 5.3886 5.9884 5.9972 6.9488 6.9998 7.1241 7.1493 7.8394 8.0781 9.2315 9.3181 10.1706 10.4512 13.8128 13.9521 14.2552 14.3746 14.4764 14.5459 16.2497 16.2586 k = 0.7241-0.2870-0.7053 ( 2536 PWs) bands (ev): -62.6802 -62.6802 -34.1367 -34.1303 -24.5009 -24.4787 -24.3559 -24.3558 -1.8828 -1.7439 -1.5207 -1.4936 5.4002 5.4166 6.0570 6.0665 6.9390 6.9887 7.1119 7.1383 7.9080 8.1547 9.2586 9.3461 10.1441 10.4210 13.7659 13.9691 14.2294 14.3264 14.4503 14.5277 16.2238 16.2422 k = 0.7191-0.2779-0.6879 ( 2538 PWs) bands (ev): -62.6806 -62.6806 -34.1351 -34.1290 -24.4960 -24.4754 -24.3538 -24.3529 -1.9309 -1.7991 -1.5454 -1.5201 5.4244 5.4484 6.1254 6.1385 6.9268 6.9731 7.1031 7.1308 7.9769 8.2305 9.2847 9.3729 10.1208 10.3944 13.7109 13.9695 14.2087 14.2738 14.4204 14.5292 16.1946 16.2276 k = 0.7142-0.2687-0.6705 ( 2534 PWs) bands (ev): -62.6810 -62.6810 -34.1335 -34.1276 -24.4908 -24.4718 -24.3516 -24.3501 -1.9805 -1.8558 -1.5705 -1.5469 5.4523 5.4839 6.1936 6.2122 6.9115 6.9529 7.0979 7.1285 8.0456 8.3052 9.3097 9.3986 10.1007 10.3713 13.6519 13.9509 14.1859 14.2340 14.3925 14.5356 16.1643 16.2120 k = 0.7092-0.2595-0.6532 ( 2538 PWs) bands (ev): -62.6814 -62.6814 -34.1318 -34.1262 -24.4854 -24.4680 -24.3494 -24.3472 -2.0316 -1.9139 -1.5960 -1.5739 5.4839 5.5228 6.2612 6.2867 6.8928 6.9286 7.0968 7.1326 8.1134 8.3786 9.3336 9.4233 10.0838 10.3515 13.5920 13.9153 14.1495 14.2206 14.3660 14.5422 16.1326 16.1945 k = 0.7042-0.2503-0.6358 ( 2538 PWs) bands (ev): -62.6818 -62.6818 -34.1300 -34.1247 -24.4798 -24.4640 -24.3472 -24.3444 -2.0839 -1.9731 -1.6217 -1.6012 5.5189 5.5649 6.3275 6.3611 6.8701 6.9007 7.1009 7.1439 8.1799 8.4501 9.3562 9.4470 10.0700 10.3349 13.5334 13.8687 14.1099 14.2195 14.3407 14.5470 16.0993 16.1745 k = 0.6992-0.2411-0.6184 ( 2538 PWs) bands (ev): -62.6823 -62.6823 -34.1282 -34.1232 -24.4741 -24.4597 -24.3450 -24.3415 -2.1372 -2.0333 -1.6477 -1.6286 5.5571 5.6100 6.3917 6.4343 6.8437 6.8697 7.1112 7.1626 8.2443 8.5192 9.3777 9.4697 10.0593 10.3217 13.4778 13.8173 14.0725 14.2199 14.3168 14.5493 16.0641 16.1518 k = 0.6942-0.2319-0.6011 ( 2538 PWs) bands (ev): -62.6828 -62.6828 -34.1264 -34.1216 -24.4682 -24.4553 -24.3427 -24.3386 -2.1916 -2.0943 -1.6739 -1.6562 5.5981 5.6577 6.4528 6.5053 6.8139 6.8367 7.1291 7.1890 8.3064 8.5855 9.3978 9.4916 10.0519 10.3116 13.4266 13.7657 14.0374 14.2173 14.2958 14.5488 16.0266 16.1258 k = 0.6893-0.2227-0.5837 ( 2536 PWs) bands (ev): -62.6832 -62.6832 -34.1245 -34.1200 -24.4621 -24.4506 -24.3403 -24.3356 -2.2467 -2.1559 -1.7001 -1.6838 5.6417 5.7077 6.5095 6.5725 6.7815 6.8028 7.1554 7.2234 8.3653 8.6481 9.4167 9.5125 10.0479 10.3049 13.3807 13.7167 14.0041 14.2084 14.2795 14.5454 15.9866 16.0965 k = 0.6843-0.2135-0.5663 ( 2536 PWs) bands (ev): -62.6837 -62.6837 -34.1226 -34.1183 -24.4560 -24.4459 -24.3378 -24.3327 -2.3024 -2.2178 -1.7265 -1.7114 5.6872 5.7593 6.5594 6.6343 6.7482 6.7702 7.1910 7.2659 8.4208 8.7064 9.4343 9.5324 10.0478 10.3017 13.3407 13.6720 13.9724 14.1923 14.2685 14.5391 15.9439 16.0635 k = 0.6793-0.2043-0.5490 ( 2532 PWs) bands (ev): -62.6842 -62.6842 -34.1206 -34.1166 -24.4499 -24.4410 -24.3352 -24.3296 -2.3586 -2.2801 -1.7528 -1.7389 5.7340 5.8120 6.5973 6.6824 6.7221 6.7449 7.2366 7.3164 8.4720 8.7594 9.4505 9.5513 10.0520 10.3022 13.3071 13.6328 13.9421 14.1709 14.2607 14.5302 15.8985 16.0268 k = 0.6743-0.1951-0.5316 ( 2532 PWs) bands (ev): -62.6847 -62.6847 -34.1186 -34.1149 -24.4437 -24.4360 -24.3326 -24.3265 -2.4151 -2.3424 -1.7791 -1.7663 5.7814 5.8647 6.6115 6.6699 6.7377 6.7533 7.2920 7.3746 8.5186 8.8063 9.4653 9.5690 10.0613 10.3069 13.2802 13.5997 13.9133 14.1469 14.2538 14.5190 15.8502 15.9864 k = 0.6693-0.1859-0.5142 ( 2530 PWs) bands (ev): -62.6852 -62.6852 -34.1166 -34.1131 -24.4376 -24.4310 -24.3297 -24.3233 -2.4718 -2.4046 -1.8052 -1.7936 5.8281 5.9161 6.5986 6.6381 6.7588 6.7970 7.3566 7.4398 8.5598 8.8461 9.4788 9.5851 10.0765 10.3162 13.2600 13.5729 13.8861 14.1217 14.2467 14.5055 15.7992 15.9422 k = 0.6644-0.1767-0.4968 ( 2530 PWs) bands (ev): -62.6857 -62.6857 -34.1146 -34.1114 -24.4316 -24.4260 -24.3268 -24.3200 -2.5285 -2.4665 -1.8313 -1.8206 5.8725 5.9642 6.5750 6.6076 6.7916 6.8386 7.4292 7.5110 8.5954 8.8782 9.4910 9.5993 10.0983 10.3304 13.2467 13.5525 13.8607 14.0963 14.2388 14.4903 15.7454 15.8945 k = 0.6594-0.1675-0.4795 ( 2526 PWs) bands (ev): -62.6863 -62.6863 -34.1126 -34.1096 -24.4257 -24.4210 -24.3236 -24.3165 -2.5851 -2.5281 -1.8571 -1.8474 5.9124 6.0057 6.5535 6.5820 6.8279 6.8774 7.5083 7.5874 8.6249 8.9020 9.5018 9.6114 10.1272 10.3501 13.2400 13.5384 13.8371 14.0710 14.2301 14.4735 15.6889 15.8433 k = 0.6544-0.1583-0.4621 ( 2524 PWs) bands (ev): -62.6868 -62.6868 -34.1106 -34.1077 -24.4201 -24.4160 -24.3202 -24.3129 -2.6414 -2.5892 -1.8826 -1.8738 5.9449 6.0366 6.5415 6.5648 6.8649 6.9141 7.5925 7.6679 8.6482 8.9173 9.5112 9.6212 10.1636 10.3755 13.2397 13.5303 13.8156 14.0464 14.2207 14.4555 15.6299 15.7889 k = 0.6494-0.1491-0.4447 ( 2526 PWs) bands (ev): -62.6873 -62.6873 -34.1085 -34.1059 -24.4147 -24.4111 -24.3165 -24.3091 -2.6973 -2.6496 -1.9079 -1.8999 5.9667 6.0525 6.5443 6.5595 6.9023 6.9497 7.6805 7.7516 8.6651 8.9243 9.5193 9.6285 10.2073 10.4067 13.2454 13.5278 13.7965 14.0226 14.2108 14.4366 15.5687 15.7315 k = 0.6444-0.1399-0.4274 ( 2528 PWs) bands (ev): -62.6878 -62.6878 -34.1065 -34.1041 -24.4096 -24.4063 -24.3126 -24.3052 -2.7527 -2.7091 -1.9327 -1.9256 5.9753 6.0513 6.5644 6.5691 6.9400 6.9849 7.7712 7.8376 8.6757 8.9235 9.5261 9.6334 10.2580 10.4438 13.2568 13.5304 13.7799 13.9998 14.2007 14.4170 15.5053 15.6714 k = 0.6395-0.1307-0.4100 ( 2532 PWs) bands (ev): -62.6884 -62.6883 -34.1045 -34.1023 -24.4049 -24.4017 -24.3084 -24.3010 -2.8074 -2.7678 -1.9572 -1.9508 5.9700 6.0342 6.5925 6.6026 6.9782 7.0201 7.8638 7.9253 8.6804 8.9157 9.5316 9.6362 10.3150 10.4864 13.2733 13.5374 13.7660 13.9783 14.1905 14.3970 15.4402 15.6088 k = 0.6345-0.1215-0.3926 ( 2532 PWs) bands (ev): -62.6889 -62.6889 -34.1025 -34.1005 -24.4004 -24.3973 -24.3039 -24.2967 -2.8614 -2.8254 -1.9812 -1.9755 5.9521 6.0049 6.6311 6.6529 7.0171 7.0558 7.9573 8.0139 8.6796 8.9016 9.5359 9.6371 10.3774 10.5343 13.2944 13.5482 13.7552 13.9582 14.1806 14.3769 15.3734 15.5441 k = 0.6295-0.1123-0.3753 ( 2532 PWs) bands (ev): -62.6894 -62.6894 -34.1005 -34.0987 -24.3963 -24.3932 -24.2992 -24.2922 -2.9144 -2.8819 -2.0048 -1.9997 5.9243 5.9673 6.6810 6.7127 7.0567 7.0921 8.0511 8.1028 8.6738 8.8822 9.5390 9.6364 10.4443 10.5867 13.3195 13.5618 13.7479 13.9398 14.1712 14.3569 15.3053 15.4776 k = 0.6245-0.1032-0.3579 ( 2532 PWs) bands (ev): -62.6899 -62.6899 -34.0986 -34.0969 -24.3925 -24.3893 -24.2941 -24.2874 -2.9664 -2.9371 -2.0278 -2.0233 5.8893 5.9243 6.7395 6.7788 7.0972 7.1294 8.1446 8.1913 8.6638 8.8586 9.5411 9.6344 10.5147 10.6432 13.3482 13.5773 13.7442 13.9233 14.1625 14.3372 15.2363 15.4097 k = 0.6195-0.0940-0.3405 ( 2530 PWs) bands (ev): -62.6904 -62.6904 -34.0966 -34.0951 -24.3889 -24.3858 -24.2888 -24.2825 -3.0173 -2.9910 -2.0502 -2.0463 5.8494 5.8781 6.8043 6.8493 7.1386 7.1675 8.2370 8.2787 8.6504 8.8318 9.5422 9.6314 10.5879 10.7030 13.3798 13.5937 13.7446 13.9092 14.1548 14.3180 15.1665 15.3406 k = 0.6146-0.0848-0.3232 ( 2526 PWs) bands (ev): -62.6909 -62.6909 -34.0947 -34.0934 -24.3857 -24.3826 -24.2833 -24.2775 -3.0670 -3.0433 -2.0721 -2.0686 5.8065 5.8301 6.8737 6.9225 7.1811 7.2067 8.3275 8.3640 8.6350 8.8028 9.5424 9.6275 10.6630 10.7655 13.4138 13.6102 13.7491 13.8979 14.1481 14.2996 15.0964 15.2707 k = 0.6096-0.0756-0.3058 ( 2524 PWs) bands (ev): -62.6914 -62.6914 -34.0929 -34.0917 -24.3827 -24.3797 -24.2776 -24.2723 -3.1153 -3.0942 -2.0933 -2.0902 5.7617 5.7812 6.9461 6.9972 7.2245 7.2469 8.4142 8.4456 8.6201 8.7730 9.5420 9.6229 10.7393 10.8300 13.4497 13.6261 13.7570 13.8903 14.1427 14.2821 15.0263 15.2004 k = 0.6046-0.0664-0.2884 ( 2522 PWs) bands (ev): -62.6918 -62.6918 -34.0911 -34.0900 -24.3800 -24.3771 -24.2718 -24.2670 -3.1622 -3.1433 -2.1138 -2.1111 5.7159 5.7321 7.0205 7.0727 7.2688 7.2884 8.4902 8.5187 8.6152 8.7450 9.5409 9.6179 10.8161 10.8959 13.4869 13.6414 13.7669 13.8875 14.1386 14.2656 14.9564 15.1300 k = 0.5996-0.0572-0.2711 ( 2526 PWs) bands (ev): -62.6923 -62.6923 -34.0893 -34.0883 -24.3776 -24.3748 -24.2660 -24.2616 -3.2076 -3.1908 -2.1335 -2.1313 5.6700 5.6835 7.0960 7.1478 7.3138 7.3313 8.5238 8.5802 8.6476 8.7268 9.5393 9.6125 10.8929 10.9625 13.5248 13.6564 13.7767 13.8908 14.1359 14.2503 14.8872 15.0599 k = 0.5946-0.0480-0.2537 ( 2524 PWs) bands (ev): -62.6928 -62.6928 -34.0876 -34.0867 -24.3754 -24.3728 -24.2601 -24.2562 -3.2513 -3.2364 -2.1526 -2.1506 5.6244 5.6356 7.1717 7.2218 7.3593 7.3764 8.5150 8.6109 8.7119 8.7433 9.5374 9.6069 10.9689 11.0293 13.5631 13.6718 13.7848 13.9012 14.1346 14.2364 14.8190 14.9904 k = 0.5896-0.0388-0.2363 ( 2522 PWs) bands (ev): -62.6932 -62.6932 -34.0860 -34.0852 -24.3734 -24.3710 -24.2542 -24.2508 -3.2934 -3.2801 -2.1708 -2.1692 5.5795 5.5888 7.2466 7.2936 7.4047 7.4246 8.4948 8.5988 8.7839 8.7996 9.5353 9.6012 11.0438 11.0957 13.6012 13.6881 13.7908 13.9178 14.1347 14.2240 14.7522 14.9220 k = 0.5847-0.0296-0.2190 ( 2524 PWs) bands (ev): -62.6936 -62.6936 -34.0844 -34.0837 -24.3716 -24.3694 -24.2484 -24.2455 -3.3337 -3.3219 -2.1882 -2.1869 5.5358 5.5435 7.3195 7.3621 7.4500 7.4767 8.4718 8.5721 8.8569 8.8662 9.5331 9.5955 11.1169 11.1611 13.6385 13.7057 13.7957 13.9391 14.1359 14.2133 14.6872 14.8549 k = 0.5797-0.0204-0.2016 ( 2526 PWs) bands (ev): -62.6940 -62.6940 -34.0829 -34.0823 -24.3700 -24.3679 -24.2427 -24.2402 -3.3720 -3.3616 -2.2048 -2.2037 5.4934 5.4998 7.3885 7.4266 7.4962 7.5328 8.4481 8.5420 8.9277 8.9329 9.5310 9.5900 11.1879 11.2252 13.6746 13.7249 13.8009 13.9631 14.1380 14.2045 14.6243 14.7897 k = 0.5747-0.0112-0.1842 ( 2516 PWs) bands (ev): -62.6944 -62.6944 -34.0814 -34.0809 -24.3686 -24.3667 -24.2371 -24.2351 -3.4085 -3.3992 -2.2205 -2.2196 5.4526 5.4579 7.4518 7.4866 7.5451 7.5921 8.4247 8.5115 8.9940 8.9979 9.5292 9.5846 11.2562 11.2874 13.7088 13.7457 13.8075 13.9883 14.1405 14.1979 14.5640 14.7266 k = 0.5697-0.0020-0.1669 ( 2518 PWs) bands (ev): -62.6947 -62.6947 -34.0801 -34.0796 -24.3673 -24.3655 -24.2318 -24.2301 -3.4429 -3.4347 -2.2354 -2.2346 5.4136 5.4180 7.5083 7.5408 7.5987 7.6531 8.4024 8.4818 9.0547 9.0606 9.5279 9.5797 11.3215 11.3473 13.7403 13.7679 13.8166 14.0137 14.1427 14.1939 14.5069 14.6661 k = 0.5647 0.0072-0.1495 ( 2520 PWs) bands (ev): -62.6951 -62.6951 -34.0788 -34.0784 -24.3662 -24.3646 -24.2266 -24.2253 -3.4753 -3.4680 -2.2493 -2.2487 5.3767 5.3803 7.5588 7.5886 7.6573 7.7139 8.3816 8.4537 9.1105 9.1190 9.5274 9.5754 11.3835 11.4046 13.7682 13.7913 13.8291 14.0385 14.1437 14.1928 14.4535 14.6086 k = 0.5598 0.0164-0.1321 ( 2522 PWs) bands (ev): -62.6954 -62.6954 -34.0776 -34.0772 -24.3652 -24.3637 -24.2218 -24.2207 -3.5055 -3.4990 -2.2623 -2.2618 5.3419 5.3448 7.6047 7.6313 7.7177 7.7729 8.3628 8.4275 9.1616 9.1722 9.5280 9.5718 11.4417 11.4588 13.7917 13.8156 13.8455 14.0621 14.1432 14.1944 14.4048 14.5545 k = 0.5548 0.0256-0.1148 ( 2516 PWs) bands (ev): -62.6957 -62.6957 -34.0765 -34.0761 -24.3643 -24.3630 -24.2172 -24.2163 -3.5335 -3.5278 -2.2743 -2.2739 5.3094 5.3118 7.6471 7.6706 7.7769 7.8285 8.3465 8.4038 9.2076 9.2196 9.5299 9.5692 11.4960 11.5097 13.8115 13.8406 13.8648 14.0835 14.1412 14.1978 14.3618 14.5043 k = 0.5498 0.0348-0.0974 ( 2518 PWs) bands (ev): -62.6960 -62.6960 -34.0754 -34.0751 -24.3635 -24.3623 -24.2129 -24.2123 -3.5593 -3.5542 -2.2853 -2.2850 5.2794 5.2814 7.6864 7.7070 7.8330 7.8797 8.3332 8.3829 9.2484 9.2608 9.5335 9.5678 11.5460 11.5570 13.8291 13.8657 13.8848 14.1011 14.1388 14.2018 14.3262 14.4584 k = 0.5448 0.0440-0.0800 ( 2518 PWs) bands (ev): -62.6962 -62.6962 -34.0745 -34.0742 -24.3628 -24.3618 -24.2090 -24.2085 -3.5827 -3.5782 -2.2953 -2.2951 5.2519 5.2535 7.7226 7.7407 7.8847 7.9252 8.3234 8.3653 9.2836 9.2955 9.5391 9.5678 11.5915 11.6004 13.8462 13.8899 13.9039 14.1089 14.1408 14.2049 14.2999 14.4174 k = 0.5398 0.0532-0.0626 ( 2516 PWs) bands (ev): -62.6965 -62.6965 -34.0736 -34.0734 -24.3622 -24.3613 -24.2054 -24.2051 -3.6037 -3.5998 -2.3044 -2.3042 5.2271 5.2284 7.7559 7.7716 7.9308 7.9644 8.3173 8.3515 9.3132 9.3237 9.5467 9.5695 11.6326 11.6397 13.8632 13.9118 13.9218 14.1021 14.1513 14.2066 14.2841 14.3816 k = 0.5349 0.0624-0.0453 ( 2524 PWs) bands (ev): -62.6967 -62.6967 -34.0729 -34.0727 -24.3617 -24.3609 -24.2023 -24.2021 -3.6224 -3.6190 -2.3123 -2.3123 5.2049 5.2060 7.7859 7.7994 7.9705 7.9965 8.3152 8.3419 9.3371 9.3458 9.5559 9.5728 11.6689 11.6746 13.8804 13.9290 13.9397 14.0870 14.1641 14.2073 14.2772 14.3514 k = 0.5299 0.0715-0.0279 ( 2520 PWs) bands (ev): -62.6969 -62.6969 -34.0722 -34.0720 -24.3613 -24.3606 -24.1995 -24.1993 -3.6386 -3.6357 -2.3193 -2.3193 5.1856 5.1865 7.8126 7.8240 8.0031 8.0215 8.3167 8.3367 9.3556 9.3626 9.5661 9.5776 11.7005 11.7051 13.8976 13.9408 13.9573 14.0687 14.1759 14.2081 14.2761 14.3272 k = 0.5249 0.0807-0.0105 ( 2516 PWs) bands (ev): -62.6970 -62.6970 -34.0716 -34.0715 -24.3609 -24.3603 -24.1971 -24.1970 -3.6523 -3.6499 -2.3252 -2.3252 5.1692 5.1699 7.8358 7.8452 8.0283 8.0399 8.3210 8.3357 9.3693 9.3749 9.5763 9.5834 11.7274 11.7310 13.9144 13.9492 13.9723 14.0498 14.1861 14.2095 14.2776 14.3090 k = 0.5199 0.0899 0.0068 ( 2512 PWs) bands (ev): -62.6971 -62.6971 -34.0712 -34.0710 -24.3606 -24.3601 -24.1951 -24.1951 -3.6635 -3.6616 -2.3301 -2.3300 5.1557 5.1563 7.8552 7.8626 8.0465 8.0529 8.3270 8.3380 9.3791 9.3836 9.5858 9.5895 11.7494 11.7522 13.9303 13.9550 13.9836 14.0322 14.1945 14.2112 14.2798 14.2965 k = 0.5149 0.0991 0.0242 ( 2508 PWs) bands (ev): -62.6972 -62.6972 -34.0708 -34.0707 -24.3603 -24.3599 -24.1936 -24.1936 -3.6722 -3.6708 -2.3338 -2.3338 5.1452 5.1456 7.8706 7.8762 8.0587 8.0615 8.3335 8.3419 9.3858 9.3895 9.5937 9.5953 11.7666 11.7687 13.9446 13.9593 13.9909 14.0171 14.2011 14.2127 14.2817 14.2889 k = 0.5100 0.1083 0.0416 ( 2506 PWs) bands (ev): -62.6973 -62.6973 -34.0705 -34.0704 -24.3601 -24.3599 -24.1925 -24.1925 -3.6784 -3.6774 -2.3365 -2.3365 5.1376 5.1379 7.8820 7.8857 8.0661 8.0670 8.3397 8.3456 9.3903 9.3930 9.5996 9.6000 11.7790 11.7804 13.9566 13.9627 13.9942 14.0054 14.2062 14.2135 14.2829 14.2850 k = 0.5050 0.1175 0.0589 ( 2506 PWs) bands (ev): -62.6973 -62.6973 -34.0703 -34.0703 -24.3599 -24.3598 -24.1918 -24.1918 -3.6820 -3.6815 -2.3382 -2.3382 5.1331 5.1333 7.8893 7.8911 8.0700 8.0701 8.3446 8.3476 9.3932 9.3946 9.6031 9.6032 11.7866 11.7873 13.9646 13.9656 13.9945 13.9980 14.2099 14.2134 14.2833 14.2836 k = 0.5000 0.1267 0.0763 ( 2500 PWs) bands (ev): -62.6973 -62.6973 -34.0702 -34.0702 -24.3599 -24.3599 -24.1916 -24.1916 -3.6830 -3.6830 -2.3387 -2.3387 5.1317 5.1317 7.8923 7.8923 8.0711 8.0711 8.3473 8.3473 9.3946 9.3946 9.6043 9.6043 11.7894 11.7894 13.9671 13.9671 13.9948 13.9948 14.2123 14.2123 14.2834 14.2834 k = 0.5000 0.1267 0.0763 ( 2500 PWs) bands (ev): -62.6973 -62.6973 -34.0702 -34.0702 -24.3599 -24.3599 -24.1916 -24.1916 -3.6830 -3.6830 -2.3387 -2.3387 5.1317 5.1317 7.8923 7.8923 8.0711 8.0711 8.3473 8.3473 9.3946 9.3946 9.6043 9.6043 11.7894 11.7894 13.9671 13.9671 13.9948 13.9948 14.2123 14.2123 14.2834 14.2834 k = 0.4808 0.1218 0.0734 ( 2500 PWs) bands (ev): -62.6973 -62.6973 -34.0702 -34.0702 -24.3599 -24.3599 -24.1916 -24.1916 -3.6840 -3.6840 -2.3370 -2.3370 5.1265 5.1265 7.8994 7.8994 8.0710 8.0713 8.3476 8.3476 9.3945 9.3945 9.6037 9.6046 11.7875 11.7875 13.9611 13.9736 13.9942 13.9942 14.2130 14.2130 14.2773 14.2894 k = 0.4615 0.1170 0.0704 ( 2506 PWs) bands (ev): -62.6973 -62.6973 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.6871 -3.6871 -2.3319 -2.3319 5.1110 5.1110 7.9204 7.9204 8.0710 8.0716 8.3483 8.3483 9.3943 9.3943 9.6029 9.6047 11.7818 11.7818 13.9554 13.9803 13.9923 13.9923 14.2153 14.2153 14.2713 14.2953 k = 0.4423 0.1121 0.0675 ( 2521 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.6921 -3.6921 -2.3235 -2.3235 5.0859 5.0859 7.9546 7.9546 8.0710 8.0720 8.3495 8.3495 9.3938 9.3938 9.6018 9.6045 11.7724 11.7724 13.9503 13.9872 13.9893 13.9893 14.2189 14.2189 14.2654 14.3011 k = 0.4231 0.1072 0.0646 ( 2524 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.6989 -3.6989 -2.3119 -2.3119 5.0521 5.0521 8.0010 8.0010 8.0712 8.0725 8.3516 8.3516 9.3933 9.3933 9.6006 9.6041 11.7592 11.7592 13.9456 13.9853 13.9853 13.9942 14.2239 14.2239 14.2598 14.3068 k = 0.4038 0.1023 0.0616 ( 2524 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.7073 -3.7073 -2.2975 -2.2975 5.0106 5.0106 8.0579 8.0579 8.0715 8.0731 8.3548 8.3548 9.3926 9.3926 9.5991 9.6034 11.7421 11.7421 13.9415 13.9804 13.9804 14.0011 14.2299 14.2299 14.2545 14.3122 k = 0.3846 0.0975 0.0587 ( 2524 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.7172 -3.7172 -2.2805 -2.2805 4.9628 4.9628 8.0719 8.0737 8.1230 8.1230 8.3604 8.3604 9.3918 9.3918 9.5975 9.6025 11.7211 11.7211 13.9379 13.9747 13.9747 14.0078 14.2369 14.2369 14.2498 14.3174 k = 0.3654 0.0926 0.0558 ( 2524 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.7283 -3.7283 -2.2612 -2.2612 4.9098 4.9098 8.0724 8.0744 8.1923 8.1923 8.3710 8.3710 9.3909 9.3909 9.5957 9.6014 11.6961 11.6961 13.9348 13.9685 13.9685 14.0140 14.2446 14.2446 14.2457 14.3223 k = 0.3462 0.0877 0.0528 ( 2527 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.7403 -3.7403 -2.2400 -2.2400 4.8530 4.8530 8.0729 8.0752 8.2561 8.2561 8.3951 8.3951 9.3900 9.3900 9.5938 9.6000 11.6672 11.6672 13.9323 13.9618 13.9618 14.0196 14.2425 14.2530 14.2530 14.3269 k = 0.3269 0.0829 0.0499 ( 2527 PWs) bands (ev): -62.6974 -62.6974 -34.0703 -34.0703 -24.3599 -24.3599 -24.1916 -24.1916 -3.7530 -3.7530 -2.2171 -2.2171 4.7934 4.7934 8.0735 8.0760 8.2981 8.2981 8.4478 8.4478 9.3892 9.3892 9.5918 9.5985 11.6341 11.6341 13.9304 13.9548 13.9548 14.0243 14.2403 14.2618 14.2618 14.3313 k = 0.3077 0.0780 0.0470 ( 2533 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.7662 -3.7662 -2.1931 -2.1931 4.7323 4.7323 8.0742 8.0768 8.3176 8.3176 8.5286 8.5286 9.3885 9.3885 9.5897 9.5968 11.5970 11.5970 13.9289 13.9477 13.9477 14.0280 14.2394 14.2709 14.2709 14.3353 k = 0.2885 0.0731 0.0440 ( 2533 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.7797 -3.7797 -2.1681 -2.1681 4.6705 4.6705 8.0750 8.0776 8.3269 8.3269 8.6241 8.6241 9.3881 9.3881 9.5876 9.5950 11.5556 11.5556 13.9280 13.9405 13.9405 14.0304 14.2398 14.2802 14.2802 14.3389 k = 0.2692 0.0682 0.0411 ( 2533 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.7932 -3.7932 -2.1427 -2.1427 4.6089 4.6089 8.0757 8.0785 8.3322 8.3322 8.7269 8.7269 9.3881 9.3881 9.5855 9.5930 11.5100 11.5100 13.9276 13.9332 13.9332 14.0316 14.2416 14.2896 14.2896 14.3422 k = 0.2500 0.0634 0.0381 ( 2545 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3600 -24.3600 -24.1917 -24.1917 -3.8066 -3.8066 -2.1171 -2.1171 4.5484 4.5484 8.0766 8.0793 8.3359 8.3359 8.8337 8.8337 9.3889 9.3889 9.5834 9.5910 11.4602 11.4602 13.9261 13.9261 13.9277 14.0314 14.2447 14.2989 14.2989 14.3451 k = 0.2308 0.0585 0.0352 ( 2542 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.8197 -3.8197 -2.0918 -2.0918 4.4897 4.4897 8.0774 8.0802 8.3386 8.3386 8.9423 8.9424 9.3913 9.3913 9.5813 9.5889 11.4061 11.4061 13.9192 13.9192 13.9282 14.0299 14.2491 14.3080 14.3080 14.3475 k = 0.2115 0.0536 0.0323 ( 2539 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.8322 -3.8322 -2.0670 -2.0670 4.4334 4.4334 8.0782 8.0810 8.3408 8.3408 9.0502 9.0502 9.3965 9.3965 9.5794 9.5868 11.3477 11.3477 13.9125 13.9125 13.9293 14.0273 14.2546 14.3169 14.3169 14.3495 k = 0.1923 0.0487 0.0293 ( 2536 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.8441 -3.8441 -2.0431 -2.0431 4.3801 4.3801 8.0791 8.0817 8.3427 8.3427 9.1529 9.1529 9.4084 9.4084 9.5776 9.5847 11.2852 11.2852 13.9062 13.9062 13.9307 14.0238 14.2610 14.3253 14.3253 14.3509 k = 0.1731 0.0439 0.0264 ( 2542 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.8553 -3.8553 -2.0205 -2.0205 4.3304 4.3304 8.0799 8.0824 8.3442 8.3442 9.2400 9.2400 9.4364 9.4364 9.5759 9.5826 11.2186 11.2186 13.9003 13.9003 13.9326 14.0194 14.2681 14.3333 14.3333 14.3519 k = 0.1538 0.0390 0.0235 ( 2542 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.8655 -3.8655 -1.9993 -1.9993 4.2846 4.2846 8.0807 8.0831 8.3456 8.3456 9.2956 9.2956 9.4960 9.4960 9.5744 9.5806 11.1481 11.1481 13.8948 13.8948 13.9350 14.0144 14.2756 14.3407 14.3407 14.3522 k = 0.1346 0.0341 0.0205 ( 2536 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.8748 -3.8748 -1.9799 -1.9799 4.2432 4.2432 8.0815 8.0836 8.3468 8.3468 9.3211 9.3211 9.5730 9.5787 9.5849 9.5849 11.0740 11.0740 13.8898 13.8898 13.9378 14.0089 14.2833 14.3474 14.3474 14.3520 k = 0.1154 0.0292 0.0176 ( 2538 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1916 -24.1916 -3.8830 -3.8830 -1.9625 -1.9625 4.2065 4.2065 8.0822 8.0841 8.3479 8.3479 9.3321 9.3321 9.5719 9.5769 9.6867 9.6867 10.9967 10.9967 13.8854 13.8854 13.9409 14.0031 14.2912 14.3512 14.3534 14.3534 k = 0.0962 0.0244 0.0147 ( 2550 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.8900 -3.8900 -1.9475 -1.9475 4.1750 4.1750 8.0829 8.0845 8.3488 8.3488 9.3374 9.3374 9.5710 9.5753 9.7917 9.7917 10.9170 10.9170 13.8816 13.8816 13.9445 13.9971 14.2989 14.3496 14.3586 14.3586 k = 0.0769 0.0195 0.0117 ( 2544 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.8959 -3.8959 -1.9348 -1.9348 4.1488 4.1488 8.0835 8.0848 8.3495 8.3495 9.3402 9.3402 9.5703 9.5739 9.8951 9.8952 10.8362 10.8362 13.8784 13.8784 13.9485 13.9911 14.3064 14.3475 14.3630 14.3630 k = 0.0577 0.0146 0.0088 ( 2544 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9005 -3.9005 -1.9248 -1.9248 4.1282 4.1282 8.0840 8.0850 8.3501 8.3501 9.3416 9.3416 9.5699 9.5726 9.9933 9.9933 10.7565 10.7565 13.8759 13.8759 13.9528 13.9851 14.3135 14.3446 14.3664 14.3664 k = 0.0385 0.0097 0.0059 ( 2544 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9038 -3.9038 -1.9176 -1.9176 4.1134 4.1134 8.0844 8.0850 8.3505 8.3505 9.3424 9.3424 9.5697 9.5715 10.0805 10.0805 10.6828 10.6828 13.8741 13.8741 13.9575 13.9791 14.3202 14.3410 14.3689 14.3689 k = 0.0192 0.0049 0.0029 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9058 -3.9058 -1.9132 -1.9132 4.1044 4.1044 8.0847 8.0850 8.3507 8.3507 9.3428 9.3428 9.5698 9.5707 10.1462 10.1462 10.6254 10.6254 13.8731 13.8731 13.9625 13.9734 14.3263 14.3368 14.3704 14.3704 k = 0.0000 0.0000 0.0000 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9064 -3.9064 -1.9117 -1.9117 4.1014 4.1014 8.0849 8.0849 8.3508 8.3508 9.3429 9.3429 9.5701 9.5701 10.1721 10.1721 10.6022 10.6022 13.8727 13.8727 13.9678 13.9678 14.3319 14.3319 14.3709 14.3709 k = 0.0000 0.0000 0.0000 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0704 -34.0704 -24.3599 -24.3599 -24.1917 -24.1917 -3.9064 -3.9064 -1.9117 -1.9117 4.1014 4.1014 8.0849 8.0849 8.3508 8.3508 9.3429 9.3429 9.5701 9.5701 10.1721 10.1721 10.6022 10.6022 13.8727 13.8727 13.9678 13.9678 14.3319 14.3319 14.3709 14.3709 k = 0.0050-0.0092-0.0175 ( 2547 PWs) bands (ev): -62.6974 -62.6974 -34.0705 -34.0704 -24.3600 -24.3599 -24.1919 -24.1919 -3.9053 -3.9050 -1.9114 -1.9112 4.1029 4.1031 8.0837 8.0838 8.3495 8.3497 9.3370 9.3407 9.5651 9.5652 10.1708 10.1810 10.5991 10.6060 13.8727 13.8737 13.9673 13.9676 14.3290 14.3297 14.3688 14.3694 k = 0.0100-0.0185-0.0349 ( 2545 PWs) bands (ev): -62.6973 -62.6973 -34.0706 -34.0706 -24.3602 -24.3599 -24.1925 -24.1925 -3.9016 -3.9009 -1.9102 -1.9099 4.1074 4.1078 8.0799 8.0805 8.3460 8.3468 9.3229 9.3302 9.5503 9.5512 10.1768 10.1968 10.5965 10.6103 13.8723 13.8764 13.9652 13.9681 14.3186 14.3245 14.3616 14.3666 k = 0.0150-0.0277-0.0524 ( 2545 PWs) bands (ev): -62.6972 -62.6972 -34.0709 -34.0708 -24.3604 -24.3600 -24.1937 -24.1936 -3.8953 -3.8942 -1.9083 -1.9078 4.1151 4.1156 8.0724 8.0745 8.3407 8.3431 9.3004 9.3113 9.5272 9.5301 10.1888 10.2177 10.5944 10.6150 13.8694 13.8813 13.9612 13.9707 14.2999 14.3170 14.3492 14.3645 k = 0.0200-0.0370-0.0699 ( 2545 PWs) bands (ev): -62.6972 -62.6972 -34.0713 -34.0711 -24.3606 -24.3601 -24.1952 -24.1952 -3.8865 -3.8850 -1.9055 -1.9049 4.1259 4.1266 8.0600 8.0648 8.3347 8.3400 9.2695 9.2840 9.4979 9.5040 10.2049 10.2418 10.5929 10.6201 13.8622 13.8877 13.9553 13.9766 14.2741 14.3078 14.3324 14.3634 k = 0.0250-0.0462-0.0873 ( 2549 PWs) bands (ev): -62.6970 -62.6970 -34.0718 -34.0716 -24.3609 -24.3604 -24.1972 -24.1971 -3.8750 -3.8732 -1.9019 -1.9012 4.1396 4.1405 8.0415 8.0504 8.3293 8.3391 9.2304 9.2485 9.4640 9.4745 10.2231 10.2673 10.5918 10.6254 13.8500 13.8943 13.9478 13.9855 14.2434 14.2963 14.3135 14.3633 k = 0.0301-0.0555-0.1048 ( 2545 PWs) bands (ev): -62.6969 -62.6969 -34.0723 -34.0721 -24.3613 -24.3606 -24.1996 -24.1995 -3.8611 -3.8588 -1.8976 -1.8967 4.1564 4.1575 8.0158 8.0299 8.3259 8.3415 9.1838 9.2057 9.4268 9.4426 10.2420 10.2925 10.5910 10.6306 13.8323 13.8978 13.9404 13.9962 14.2107 14.2794 14.2981 14.3650 k = 0.0351-0.0647-0.1223 ( 2543 PWs) bands (ev): -62.6967 -62.6967 -34.0730 -34.0728 -24.3618 -24.3609 -24.2024 -24.2022 -3.8446 -3.8420 -1.8924 -1.8914 4.1762 4.1775 7.9827 8.0025 8.3258 8.3479 9.1305 9.1567 9.3867 9.4084 10.2602 10.3164 10.5905 10.6355 13.8092 13.8933 13.9347 14.0067 14.1801 14.2570 14.2878 14.3703 k = 0.0401-0.0740-0.1397 ( 2537 PWs) bands (ev): -62.6965 -62.6965 -34.0737 -34.0735 -24.3623 -24.3613 -24.2056 -24.2053 -3.8256 -3.8226 -1.8865 -1.8853 4.1988 4.2004 7.9423 7.9679 8.3295 8.3584 9.0718 9.1026 9.3438 9.3717 10.2769 10.3381 10.5900 10.6399 13.7804 13.8790 13.9289 14.0141 14.1569 14.2339 14.2803 14.3813 k = 0.0451-0.0832-0.1572 ( 2537 PWs) bands (ev): -62.6962 -62.6962 -34.0746 -34.0743 -24.3629 -24.3618 -24.2092 -24.2087 -3.8042 -3.8007 -1.8797 -1.8785 4.2243 4.2262 7.8952 7.9262 8.3371 8.3727 9.0089 9.0448 9.2979 9.3322 10.2916 10.3569 10.5894 10.6433 13.7454 13.8553 13.9193 14.0150 14.1455 14.2136 14.2752 14.3999 k = 0.0501-0.0925-0.1747 ( 2539 PWs) bands (ev): -62.6960 -62.6960 -34.0755 -34.0752 -24.3636 -24.3624 -24.2132 -24.2125 -3.7804 -3.7764 -1.8723 -1.8709 4.2526 4.2548 7.8421 7.8780 8.3483 8.3905 8.9429 8.9842 9.2487 9.2897 10.3039 10.3725 10.5884 10.6456 13.7044 13.8212 13.9073 14.0088 14.1398 14.2017 14.2746 14.4272 k = 0.0551-0.1017-0.1922 ( 2541 PWs) bands (ev): -62.6957 -62.6957 -34.0766 -34.0762 -24.3644 -24.3630 -24.2175 -24.2166 -3.7542 -3.7496 -1.8640 -1.8626 4.2835 4.2862 7.7838 7.8241 8.3626 8.4109 8.8746 8.9219 9.1960 9.2439 10.3136 10.3847 10.5868 10.6465 13.6578 13.7767 13.8964 13.9981 14.1269 14.2009 14.2845 14.4631 k = 0.0601-0.1110-0.2096 ( 2541 PWs) bands (ev): -62.6954 -62.6954 -34.0777 -34.0773 -24.3653 -24.3638 -24.2221 -24.2210 -3.7257 -3.7205 -1.8551 -1.8535 4.3170 4.3203 7.7210 7.7651 8.3794 8.4334 8.8048 8.8588 9.1399 9.1948 10.3205 10.3933 10.5845 10.6456 13.6068 13.7238 13.8885 13.9849 14.1065 14.2013 14.3112 14.5067 k = 0.0651-0.1202-0.2271 ( 2537 PWs) bands (ev): -62.6951 -62.6951 -34.0789 -34.0785 -24.3663 -24.3646 -24.2270 -24.2256 -3.6949 -3.6890 -1.8454 -1.8438 4.3530 4.3570 7.6544 7.7019 8.3978 8.4569 8.7342 8.7960 9.0802 9.1424 10.3246 10.3985 10.5810 10.6429 13.5524 13.6654 13.8841 13.9700 14.0830 14.1978 14.3530 14.5569 k = 0.0701-0.1295-0.2446 ( 2535 PWs) bands (ev): -62.6947 -62.6947 -34.0802 -34.0797 -24.3674 -24.3656 -24.2322 -24.2305 -3.6619 -3.6552 -1.8350 -1.8333 4.3913 4.3962 7.5847 7.6351 8.4170 8.4793 8.6640 8.7351 9.0174 9.0872 10.3258 10.4003 10.5763 10.6380 13.4959 13.6037 13.8831 13.9534 14.0584 14.1926 14.4052 14.6126 k = 0.0751-0.1387-0.2620 ( 2533 PWs) bands (ev): -62.6944 -62.6944 -34.0816 -34.0810 -24.3687 -24.3667 -24.2376 -24.2355 -3.6267 -3.6191 -1.8240 -1.8222 4.4319 4.4378 7.5125 7.5653 8.4349 8.4952 8.5967 8.6801 8.9518 9.0295 10.3242 10.3987 10.5700 10.6309 13.4385 13.5403 13.8855 13.9352 14.0335 14.1879 14.4643 14.6727 k = 0.0801-0.1480-0.2795 ( 2529 PWs) bands (ev): -62.6940 -62.6940 -34.0830 -34.0824 -24.3701 -24.3680 -24.2432 -24.2407 -3.5895 -3.5809 -1.8123 -1.8104 4.4746 4.4817 7.4382 7.4930 8.4455 8.4878 8.5436 8.6411 8.8845 8.9705 10.3198 10.3940 10.5619 10.6215 13.3812 13.4765 13.8905 13.9162 14.0087 14.1851 14.5287 14.7366 k = 0.0852-0.1572-0.2970 ( 2531 PWs) bands (ev): -62.6936 -62.6936 -34.0846 -34.0839 -24.3718 -24.3695 -24.2489 -24.2460 -3.5502 -3.5404 -1.8000 -1.7980 4.5192 4.5277 7.3625 7.4187 8.4185 8.4571 8.5185 8.6306 8.8175 8.9120 10.3126 10.3863 10.5519 10.6097 13.3249 13.4129 13.8896 13.9050 13.9842 14.1849 14.5970 14.8034 k = 0.0902-0.1665-0.3144 ( 2531 PWs) bands (ev): -62.6931 -62.6931 -34.0862 -34.0854 -24.3736 -24.3711 -24.2548 -24.2514 -3.5090 -3.4979 -1.7870 -1.7850 4.5655 4.5757 7.2858 7.3430 8.3543 8.4153 8.5124 8.6356 8.7563 8.8581 10.3027 10.3757 10.5399 10.5955 13.2703 13.3505 13.8707 13.9136 13.9610 14.1877 14.6686 14.8726 k = 0.0952-0.1757-0.3319 ( 2529 PWs) bands (ev): -62.6927 -62.6927 -34.0878 -34.0869 -24.3756 -24.3730 -24.2607 -24.2568 -3.4659 -3.4533 -1.7735 -1.7714 4.6134 4.6255 7.2087 7.2664 8.2837 8.3589 8.5035 8.6274 8.7155 8.8178 10.2901 10.3623 10.5257 10.5789 13.2179 13.2897 13.8498 13.9207 13.9450 14.1936 14.7426 14.9435 k = 0.1002-0.1850-0.3494 ( 2531 PWs) bands (ev): -62.6923 -62.6923 -34.0895 -34.0885 -24.3778 -24.3751 -24.2666 -24.2622 -3.4210 -3.4067 -1.7594 -1.7572 4.6627 4.6770 7.1315 7.1891 8.2112 8.2969 8.4728 8.5904 8.7033 8.8038 10.2749 10.3463 10.5094 10.5599 13.1682 13.2311 13.8296 13.9068 13.9542 14.2025 14.8185 15.0157 k = 0.1052-0.1942-0.3668 ( 2527 PWs) bands (ev): -62.6918 -62.6918 -34.0913 -34.0902 -24.3803 -24.3774 -24.2725 -24.2676 -3.3744 -3.3582 -1.7448 -1.7425 4.7131 4.7299 7.0548 7.1118 8.1377 8.2315 8.4189 8.5380 8.7055 8.8154 10.2572 10.3278 10.4908 10.5389 13.1212 13.1754 13.8111 13.8865 13.9740 14.2140 14.8957 15.0885 k = 0.1102-0.2035-0.3843 ( 2527 PWs) bands (ev): -62.6913 -62.6913 -34.0931 -34.0919 -24.3831 -24.3800 -24.2784 -24.2729 -3.3261 -3.3079 -1.7297 -1.7273 4.7642 4.7840 6.9789 7.0348 8.0632 8.1628 8.3531 8.4770 8.7165 8.8399 10.2370 10.3070 10.4700 10.5162 13.0765 13.1231 13.7950 13.8671 13.9975 14.2281 14.9738 15.1614 k = 0.1152-0.2127-0.4018 ( 2527 PWs) bands (ev): -62.6908 -62.6908 -34.0950 -34.0936 -24.3861 -24.3830 -24.2840 -24.2782 -3.2763 -3.2558 -1.7142 -1.7116 4.8159 4.8391 6.9045 6.9585 7.9874 8.0900 8.2844 8.4116 8.7320 8.8689 10.2146 10.2840 10.4470 10.4923 13.0334 13.0755 13.7819 13.8499 14.0237 14.2444 15.0521 15.2341 k = 0.1202-0.2219-0.4192 ( 2527 PWs) bands (ev): -62.6903 -62.6903 -34.0969 -34.0954 -24.3894 -24.3862 -24.2896 -24.2832 -3.2250 -3.2021 -1.6982 -1.6954 4.8678 4.8947 6.8319 6.8834 7.9101 8.0120 8.2176 8.3450 8.7487 8.8989 10.1902 10.2591 10.4218 10.4679 12.9908 13.0336 13.7724 13.8359 14.0521 14.2627 15.1303 15.3060 k = 0.1252-0.2312-0.4367 ( 2531 PWs) bands (ev): -62.6898 -62.6898 -34.0988 -34.0972 -24.3930 -24.3898 -24.2949 -24.2881 -3.1724 -3.1468 -1.6819 -1.6788 4.9194 4.9507 6.7618 6.8100 7.8309 7.9287 8.1551 8.2790 8.7643 8.9278 10.1638 10.2323 10.3944 10.4437 12.9484 12.9977 13.7670 13.8255 14.0827 14.2826 15.2080 15.3766 k = 0.1302-0.2404-0.4542 ( 2539 PWs) bands (ev): -62.6893 -62.6893 -34.1008 -34.0990 -24.3969 -24.3937 -24.2999 -24.2929 -3.1184 -3.0900 -1.6652 -1.6618 4.9702 5.0065 6.6946 6.7386 7.7496 7.8402 8.0975 8.2150 8.7773 8.9542 10.1359 10.2040 10.3651 10.4207 12.9069 12.9672 13.7661 13.8195 14.1150 14.3040 15.2847 15.4457 k = 0.1352-0.2497-0.4716 ( 2535 PWs) bands (ev): -62.6888 -62.6888 -34.1028 -34.1008 -24.4011 -24.3979 -24.3046 -24.2974 -3.0633 -3.0317 -1.6481 -1.6444 5.0197 5.0617 6.6311 6.6700 7.6661 7.7476 8.0448 8.1540 8.7865 8.9768 10.1069 10.1742 10.3343 10.3995 12.8671 12.9411 13.7697 13.8184 14.1489 14.3266 15.3601 15.5127 k = 0.1403-0.2589-0.4891 ( 2541 PWs) bands (ev): -62.6883 -62.6883 -34.1049 -34.1026 -24.4056 -24.4024 -24.3091 -24.3017 -3.0071 -2.9722 -1.6308 -1.6267 5.0673 5.1157 6.5719 6.6047 7.5804 7.6518 7.9966 8.0965 8.7909 8.9944 10.0773 10.1430 10.3025 10.3808 12.8298 12.9187 13.7782 13.8224 14.1841 14.3500 15.4338 15.5773 k = 0.1453-0.2682-0.5066 ( 2539 PWs) bands (ev): -62.6877 -62.6877 -34.1069 -34.1044 -24.4105 -24.4071 -24.3133 -24.3059 -2.9499 -2.9115 -1.6132 -1.6087 5.1122 5.1678 6.5177 6.5434 7.4926 7.5538 7.9523 8.0428 8.7898 9.0059 10.0474 10.1106 10.2705 10.3651 12.7954 12.8997 13.7915 13.8319 14.2203 14.3741 15.5055 15.6392 k = 0.1503-0.2774-0.5240 ( 2539 PWs) bands (ev): -62.6872 -62.6872 -34.1089 -34.1063 -24.4156 -24.4119 -24.3172 -24.3098 -2.8919 -2.8498 -1.5954 -1.5904 5.1536 5.2172 6.4694 6.4870 7.4030 7.4543 7.9116 7.9932 8.7825 9.0100 10.0175 10.0770 10.2393 10.3528 12.7644 12.8840 13.8096 13.8467 14.2574 14.3985 15.5750 15.6981 k = 0.1553-0.2867-0.5415 ( 2543 PWs) bands (ev): -62.6867 -62.6867 -34.1110 -34.1081 -24.4211 -24.4169 -24.3208 -24.3136 -2.8332 -2.7870 -1.5775 -1.5719 5.1906 5.2628 6.4279 6.4365 7.3118 7.3540 7.8742 7.9477 8.7686 9.0060 9.9876 10.0422 10.2099 10.3444 12.7371 12.8714 13.8324 13.8667 14.2950 14.4230 15.6421 15.7539 k = 0.1603-0.2959-0.5590 ( 2543 PWs) bands (ev): -62.6862 -62.6862 -34.1130 -34.1099 -24.4268 -24.4219 -24.3242 -24.3172 -2.7739 -2.7234 -1.5594 -1.5533 5.2224 5.3036 6.3929 6.3941 7.2196 7.2533 7.8400 7.9062 8.7480 8.9932 9.9570 10.0064 10.1836 10.3398 12.7139 12.8621 13.8596 13.8916 14.3328 14.4472 15.7065 15.8063 k = 0.1653-0.3052-0.5765 ( 2539 PWs) bands (ev): -62.6856 -62.6856 -34.1150 -34.1117 -24.4327 -24.4270 -24.3273 -24.3206 -2.7141 -2.6591 -1.5412 -1.5345 5.2480 5.3383 6.3574 6.3686 7.1266 7.1528 7.8088 7.8687 8.7207 8.9714 9.9249 9.9698 10.1617 10.3392 12.6952 12.8562 13.8912 13.9208 14.3705 14.4710 15.7682 15.8554 k = 0.1703-0.3144-0.5939 ( 2541 PWs) bands (ev): -62.6851 -62.6851 -34.1171 -34.1135 -24.4388 -24.4320 -24.3303 -24.3239 -2.6540 -2.5942 -1.5230 -1.5156 5.2671 5.3658 6.3312 6.3520 7.0333 7.0528 7.7805 7.8350 8.6868 8.9408 9.8902 9.9324 10.1452 10.3423 12.6813 12.8539 13.9265 13.9538 14.4077 14.4941 15.8269 15.9012 k = 0.1753-0.3237-0.6114 ( 2541 PWs) bands (ev): -62.6846 -62.6846 -34.1191 -34.1153 -24.4450 -24.4371 -24.3331 -24.3271 -2.5937 -2.5289 -1.5047 -1.4967 5.2792 5.3850 6.3151 6.3445 6.9399 6.9538 7.7548 7.8050 8.6469 8.9018 9.8525 9.8938 10.1348 10.3486 12.6727 12.8555 13.9653 13.9898 14.4441 14.5161 15.8825 15.9441 k = 0.1803-0.3329-0.6289 ( 2541 PWs) bands (ev): -62.6841 -62.6841 -34.1210 -34.1170 -24.4512 -24.4420 -24.3358 -24.3303 -2.5333 -2.4632 -1.4865 -1.4778 5.2846 5.3956 6.3094 6.3459 6.8465 6.8564 7.7317 7.7786 8.6014 8.8553 9.8120 9.8537 10.1302 10.3579 12.6696 12.8612 14.0067 14.0283 14.4792 14.5370 15.9344 15.9848 k = 0.1853-0.3422-0.6463 ( 2539 PWs) bands (ev): -62.6836 -62.6836 -34.1230 -34.1187 -24.4573 -24.4469 -24.3383 -24.3333 -2.4730 -2.3974 -1.4684 -1.4590 5.2839 5.3977 6.3137 6.3552 6.7528 6.7618 7.7110 7.7558 8.5510 8.8022 9.7690 9.8120 10.1308 10.3697 12.6721 12.8710 14.0501 14.0684 14.5125 14.5567 15.9819 16.0246 k = 0.1903-0.3514-0.6638 ( 2539 PWs) bands (ev): -62.6831 -62.6831 -34.1249 -34.1203 -24.4635 -24.4517 -24.3408 -24.3363 -2.4129 -2.3316 -1.4504 -1.4403 5.2779 5.3923 6.3268 6.3714 6.6591 6.6708 7.6926 7.7363 8.4963 8.7435 9.7240 9.7685 10.1356 10.3835 12.6806 12.8851 14.0946 14.1095 14.5430 14.5754 16.0236 16.0652 k = 0.1954-0.3607-0.6813 ( 2539 PWs) bands (ev): -62.6827 -62.6827 -34.1268 -34.1220 -24.4695 -24.4563 -24.3432 -24.3392 -2.3532 -2.2660 -1.4326 -1.4217 5.2679 5.3805 6.3463 6.3923 6.5667 6.5842 7.6762 7.7201 8.4380 8.6801 9.6775 9.7235 10.1438 10.3989 12.6949 12.9034 14.1390 14.1512 14.5694 14.5942 16.0593 16.1075 k = 0.2004-0.3699-0.6987 ( 2537 PWs) bands (ev): -62.6822 -62.6822 -34.1286 -34.1235 -24.4754 -24.4607 -24.3455 -24.3421 -2.2941 -2.2007 -1.4150 -1.4033 5.2551 5.3640 6.3661 6.4125 6.4788 6.5080 7.6617 7.7069 8.3770 8.6128 9.6297 9.6771 10.1547 10.4158 12.7151 12.9257 14.1815 14.1933 14.5894 14.6147 16.0905 16.1509 k = 0.2054-0.3792-0.7162 ( 2537 PWs) bands (ev): -62.6817 -62.6817 -34.1304 -34.1251 -24.4812 -24.4649 -24.3477 -24.3450 -2.2356 -2.1359 -1.3977 -1.3851 5.2407 5.3444 6.3562 6.3790 6.4410 6.4770 7.6487 7.6967 8.3140 8.5423 9.5809 9.6295 10.1677 10.4340 12.7410 12.9519 14.2206 14.2357 14.6037 14.6360 16.1187 16.1943 k = 0.2104-0.3884-0.7337 ( 2547 PWs) bands (ev): -62.6813 -62.6813 -34.1322 -34.1266 -24.4867 -24.4690 -24.3500 -24.3479 -2.1781 -2.0717 -1.3807 -1.3673 5.2256 5.3230 6.2884 6.3004 6.4629 6.4987 7.6368 7.6892 8.2500 8.4694 9.5312 9.5810 10.1826 10.4535 12.7723 12.9815 14.2558 14.2769 14.6142 14.6562 16.1453 16.2375 k = 0.2154-0.3977-0.7511 ( 2549 PWs) bands (ev): -62.6809 -62.6809 -34.1339 -34.1280 -24.4921 -24.4728 -24.3522 -24.3508 -2.1215 -2.0084 -1.3641 -1.3498 5.2109 5.3011 6.2060 6.2219 6.4966 6.5309 7.6256 7.6841 8.1858 8.3945 9.4809 9.5318 10.1990 10.4742 12.8086 13.0139 14.2866 14.3155 14.6221 14.6738 16.1711 16.2802 k = 0.2204-0.4069-0.7686 ( 2553 PWs) bands (ev): -62.6805 -62.6805 -34.1356 -34.1294 -24.4973 -24.4763 -24.3544 -24.3537 -2.0662 -1.9462 -1.3479 -1.3328 5.1973 5.2796 6.1242 6.1439 6.5329 6.5655 7.6140 7.6813 8.1229 8.3182 9.4301 9.4819 10.2171 10.4963 12.8492 13.0485 14.3125 14.3507 14.6282 14.6886 16.1966 16.3225 k = 0.2254-0.4162-0.7861 ( 2553 PWs) bands (ev): -62.6801 -62.6801 -34.1372 -34.1307 -24.5022 -24.4795 -24.3566 -24.3565 -2.0122 -1.8852 -1.3321 -1.3162 5.1854 5.2595 6.0446 6.0675 6.5693 6.6006 7.6010 7.6804 8.0627 8.2409 9.3791 9.4317 10.2369 10.5200 12.8937 13.0843 14.3327 14.3817 14.6327 14.7004 16.2223 16.3646 k = 0.2304-0.4254-0.8035 ( 2551 PWs) bands (ev): -62.6797 -62.6797 -34.1387 -34.1319 -24.5068 -24.4825 -24.3595 -24.3586 -1.9597 -1.8257 -1.3169 -1.3001 5.1759 5.2414 5.9678 5.9934 6.6045 6.6354 7.5847 7.6811 8.0074 8.1631 9.3279 9.3813 10.2584 10.5455 12.9411 13.1203 14.3468 14.4082 14.6362 14.7093 16.2486 16.4064 k = 0.2354-0.4346-0.8210 ( 2553 PWs) bands (ev): -62.6793 -62.6793 -34.1401 -34.1331 -24.5112 -24.4852 -24.3624 -24.3607 -1.9089 -1.7678 -1.3022 -1.2846 5.1692 5.2258 5.8939 5.9220 6.6377 6.6692 7.5630 7.6830 7.9595 8.0852 9.2767 9.3309 10.2818 10.5729 12.9905 13.1554 14.3545 14.4303 14.6389 14.7154 16.2757 16.4481 k = 0.2404-0.4439-0.8385 ( 2551 PWs) bands (ev): -62.6790 -62.6790 -34.1415 -34.1343 -24.5152 -24.4876 -24.3653 -24.3628 -1.8598 -1.7117 -1.2882 -1.2697 5.1657 5.2132 5.8231 5.8535 6.6683 6.7015 7.5339 7.6858 7.9212 8.0079 9.2258 9.2806 10.3073 10.6025 13.0407 13.1882 14.3557 14.4484 14.6414 14.7189 16.3037 16.4896 k = 0.2455-0.4531-0.8559 ( 2551 PWs) bands (ev): -62.6787 -62.6787 -34.1428 -34.1353 -24.5190 -24.4897 -24.3682 -24.3649 -1.8128 -1.6576 -1.2747 -1.2555 5.1656 5.2040 5.7556 5.7880 6.6959 6.7314 7.4961 7.6884 7.8938 7.9322 9.1753 9.2306 10.3349 10.6345 13.0904 13.2173 14.3510 14.4633 14.6441 14.7201 16.3327 16.5308 k = 0.2505-0.4624-0.8734 ( 2561 PWs) bands (ev): -62.6784 -62.6784 -34.1441 -34.1363 -24.5226 -24.4915 -24.3712 -24.3669 -1.7678 -1.6057 -1.2620 -1.2420 5.1693 5.1985 5.6914 5.7257 6.7203 6.7582 7.4505 7.6889 7.8599 7.8775 9.1253 9.1812 10.3647 10.6690 13.1380 13.2413 14.3412 14.4754 14.6483 14.7190 16.3624 16.5717 k = 0.2555-0.4716-0.8909 ( 2555 PWs) bands (ev): -62.6781 -62.6781 -34.1452 -34.1373 -24.5258 -24.4930 -24.3741 -24.3689 -1.7250 -1.5562 -1.2500 -1.2292 5.1768 5.1969 5.6308 5.6667 6.7413 6.7808 7.3991 7.6807 7.7985 7.8698 9.0762 9.1326 10.3966 10.7059 13.1815 13.2590 14.3279 14.4851 14.6554 14.7162 16.3929 16.6120 k = 0.2605-0.4809-0.9084 ( 2557 PWs) bands (ev): -62.6778 -62.6778 -34.1463 -34.1381 -24.5287 -24.4942 -24.3770 -24.3709 -1.6846 -1.5093 -1.2387 -1.2171 5.1884 5.1995 5.5738 5.6111 6.7588 6.7983 7.3448 7.6487 7.7629 7.8690 9.0280 9.0851 10.4306 10.7453 13.2183 13.2698 14.3128 14.4919 14.6675 14.7125 16.4238 16.6516 k = 0.2655-0.4901-0.9258 ( 2555 PWs) bands (ev): -62.6776 -62.6776 -34.1474 -34.1389 -24.5313 -24.4951 -24.3799 -24.3728 -1.6466 -1.4652 -1.2282 -1.2058 5.2040 5.2065 5.5206 5.5591 6.7726 6.8090 7.2909 7.5919 7.7543 7.8731 8.9811 9.0388 10.4666 10.7871 13.2444 13.2747 14.2978 14.4952 14.6848 14.7106 16.4547 16.6902 k = 0.2705-0.4994-0.9433 ( 2555 PWs) bands (ev): -62.6773 -62.6773 -34.1483 -34.1397 -24.5337 -24.4958 -24.3827 -24.3746 -1.6111 -1.4241 -1.2186 -1.1953 5.2179 5.2236 5.4713 5.5107 6.7824 6.8109 7.2405 7.5268 7.7566 7.8803 8.9357 8.9942 10.5043 10.8310 13.2514 13.2800 14.2846 14.4951 14.6946 14.7258 16.4855 16.7274 k = 0.2755-0.5086-0.9608 ( 2553 PWs) bands (ev): -62.6771 -62.6771 -34.1492 -34.1403 -24.5358 -24.4962 -24.3856 -24.3764 -1.5782 -1.3861 -1.2098 -1.1855 5.2338 5.2468 5.4262 5.4660 6.7880 6.8018 7.1969 7.4613 7.7624 7.8894 8.8922 8.9516 10.5432 10.8768 13.2399 13.2838 14.2745 14.4922 14.6945 14.7621 16.5155 16.7628 k = 0.2805-0.5179-0.9782 ( 2551 PWs) bands (ev): -62.6769 -62.6769 -34.1499 -34.1409 -24.5376 -24.4964 -24.3883 -24.3782 -1.5479 -1.3515 -1.2018 -1.1764 5.2541 5.2730 5.3860 5.4250 6.7798 6.7891 7.1624 7.3984 7.7692 7.8994 8.8508 8.9113 10.5831 10.9241 13.2185 13.2781 14.2676 14.4876 14.6962 14.8088 16.5443 16.7961 k = 0.2855-0.5271-0.9957 ( 2553 PWs) bands (ev): -62.6767 -62.6767 -34.1507 -34.1415 -24.5391 -24.4963 -24.3910 -24.3798 -1.5202 -1.3204 -1.1947 -1.1679 5.2787 5.2977 5.3551 5.3878 6.7453 6.7850 7.1374 7.3401 7.7757 7.9093 8.8119 8.8737 10.6233 10.9722 13.1903 13.2612 14.2631 14.4818 14.7036 14.8631 16.5714 16.8267 k = 0.2905-0.5364-1.0132 ( 2553 PWs) bands (ev): -62.6766 -62.6766 -34.1513 -34.1419 -24.5404 -24.4961 -24.3936 -24.3813 -1.4953 -1.2930 -1.1886 -1.1598 5.2953 5.3093 5.3534 5.3579 6.7002 6.7755 7.1201 7.2882 7.7814 7.9183 8.7760 8.8391 10.6633 11.0207 13.1576 13.2344 14.2597 14.4753 14.7189 14.9232 16.5961 16.8540 k = 0.2955-0.5456-1.0306 ( 2551 PWs) bands (ev): -62.6765 -62.6765 -34.1518 -34.1423 -24.5415 -24.4957 -24.3960 -24.3828 -1.4730 -1.2695 -1.1834 -1.1520 5.2722 5.3246 5.3415 5.3888 6.6476 6.7603 7.1074 7.2445 7.7855 7.9256 8.7436 8.8080 10.7023 11.0686 13.1222 13.2000 14.2563 14.4679 14.7430 14.9878 16.6179 16.8776 k = 0.3006-0.5549-1.0481 ( 2549 PWs) bands (ev): -62.6763 -62.6763 -34.1523 -34.1427 -24.5424 -24.4951 -24.3983 -24.3841 -1.4535 -1.2501 -1.1792 -1.1444 5.2477 5.2988 5.3780 5.4274 6.5907 6.7395 7.0959 7.2107 7.7877 7.9307 8.7150 8.7806 10.7396 11.1151 13.0860 13.1608 14.2524 14.4598 14.7759 15.0552 16.6361 16.8969 k = 0.3056-0.5641-1.0656 ( 2561 PWs) bands (ev): -62.6762 -62.6762 -34.1528 -34.1430 -24.5431 -24.4946 -24.4004 -24.3853 -1.4365 -1.2347 -1.1760 -1.1369 5.2259 5.2768 5.4174 5.4686 6.5322 6.7141 7.0835 7.1874 7.7876 7.9327 8.6908 8.7572 10.7743 11.1592 13.0508 13.1197 14.2480 14.4515 14.8159 15.1241 16.6500 16.9112 k = 0.3106-0.5734-1.0830 ( 2565 PWs) bands (ev): -62.6762 -62.6762 -34.1531 -34.1433 -24.5436 -24.4939 -24.4022 -24.3863 -1.4221 -1.2232 -1.1739 -1.1296 5.2076 5.2585 5.4588 5.5104 6.4744 6.6858 7.0701 7.1731 7.7848 7.9312 8.6712 8.7379 10.8056 11.1996 13.0183 13.0796 14.2438 14.4435 14.8610 15.1929 16.6589 16.9198 k = 0.3156-0.5826-1.1005 ( 2561 PWs) bands (ev): -62.6761 -62.6761 -34.1534 -34.1435 -24.5439 -24.4933 -24.4038 -24.3871 -1.4103 -1.2150 -1.1729 -1.1228 5.1929 5.2440 5.5007 5.5511 6.4196 6.6573 7.0569 7.1651 7.7792 7.9258 8.6566 8.7227 10.8328 11.2352 12.9901 13.0432 14.2403 14.4366 14.9088 15.2603 16.6624 16.9222 k = 0.3206-0.5919-1.1180 ( 2563 PWs) bands (ev): -62.6761 -62.6761 -34.1536 -34.1436 -24.5442 -24.4928 -24.4050 -24.3878 -1.4008 -1.2098 -1.1730 -1.1170 5.1819 5.2330 5.5410 5.5887 6.3704 6.6315 7.0450 7.1608 7.7709 7.9165 8.6468 8.7115 10.8550 11.2648 12.9677 13.0127 14.2383 14.4312 14.9571 15.3247 16.6598 16.9178 k = 0.3256-0.6011-1.1354 ( 2563 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5443 -24.4924 -24.4059 -24.3883 -1.3937 -1.2071 -1.1741 -1.1125 5.1744 5.2256 5.5768 5.6208 6.3300 6.6119 7.0351 7.1586 7.7599 7.9034 8.6418 8.7041 10.8716 11.2873 12.9521 12.9904 14.2383 14.4279 15.0037 15.3848 16.6510 16.9063 k = 0.3306-0.6104-1.1529 ( 2551 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5443 -24.4921 -24.4063 -24.3885 -1.3888 -1.2064 -1.1763 -1.1096 5.1705 5.2216 5.6044 5.6447 6.3023 6.6017 7.0274 7.1575 7.7465 7.8867 8.6410 8.7002 10.8823 11.3019 12.9441 12.9776 14.2408 14.4272 15.0470 15.4390 16.6358 16.8876 k = 0.3356-0.6196-1.1704 ( 2553 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5444 -24.4921 -24.4063 -24.3885 -1.3860 -1.2074 -1.1794 -1.1084 5.1699 5.2209 5.6197 5.6583 6.2912 6.6035 7.0221 7.1571 7.7310 7.8670 8.6439 8.6993 10.8869 11.3081 12.9442 12.9755 14.2461 14.4295 15.0854 15.4859 16.6146 16.8619 k = 0.3406-0.6289-1.1878 ( 2555 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5443 -24.4924 -24.4059 -24.3883 -1.3851 -1.2100 -1.1834 -1.1092 5.1725 5.2234 5.6198 5.6599 6.2995 6.6185 7.0197 7.1574 7.7139 7.8447 8.6498 8.7008 10.8856 11.3060 12.9524 12.9844 14.2544 14.4351 15.1176 15.5243 16.5879 16.8298 k = 0.6594-0.5021-1.1116 ( 2555 PWs) bands (ev): -62.6760 -62.6760 -34.1537 -34.1437 -24.5443 -24.4924 -24.4059 -24.3883 -1.3851 -1.2100 -1.1834 -1.1092 5.1725 5.2234 5.6198 5.6599 6.2995 6.6185 7.0197 7.1574 7.7139 7.8447 8.6498 8.7008 10.8856 11.3060 12.9524 12.9844 14.2544 14.4351 15.1176 15.5243 16.5878 16.8298 k = 0.6544-0.4825-1.1116 ( 2553 PWs) bands (ev): -62.6760 -62.6760 -34.1536 -34.1436 -24.5443 -24.4929 -24.4050 -24.3878 -1.3859 -1.2138 -1.1882 -1.1118 5.1781 5.2288 5.6045 5.6494 6.3270 6.6461 7.0212 7.1583 7.6956 7.8208 8.6582 8.7044 10.8786 11.2962 12.9684 13.0041 14.2660 14.4441 15.1426 15.5531 16.5563 16.7923 k = 0.6494-0.4628-1.1116 ( 2553 PWs) bands (ev): -62.6761 -62.6761 -34.1534 -34.1435 -24.5442 -24.4937 -24.4036 -24.3871 -1.3884 -1.2187 -1.1938 -1.1162 5.1865 5.2369 5.5761 5.6280 6.3710 6.6837 7.0282 7.1603 7.6766 7.7956 8.6683 8.7094 10.8665 11.2796 12.9919 13.0336 14.2809 14.4568 15.1602 15.5718 16.5204 16.7496 k = 0.6444-0.4432-1.1116 ( 2557 PWs) bands (ev): -62.6761 -62.6761 -34.1532 -34.1434 -24.5443 -24.4948 -24.4018 -24.3861 -1.3924 -1.2247 -1.2001 -1.1223 5.1975 5.2476 5.5379 5.5974 6.4273 6.7266 7.0437 7.1639 7.6575 7.7697 8.6796 8.7154 10.8502 11.2573 13.0221 13.0718 14.2991 14.4734 15.1703 15.5802 16.4807 16.7023 k = 0.6395-0.4235-1.1116 ( 2553 PWs) bands (ev): -62.6762 -62.6762 -34.1529 -34.1432 -24.5443 -24.4961 -24.3996 -24.3848 -1.3977 -1.2317 -1.2070 -1.1300 5.2105 5.2605 5.4932 5.5596 6.4914 6.7686 7.0716 7.1704 7.6386 7.7437 8.6916 8.7220 10.8302 11.2306 13.0582 13.1176 14.3205 14.4939 15.1731 15.5787 16.4378 16.6508 k = 0.6345-0.4039-1.1116 ( 2549 PWs) bands (ev): -62.6763 -62.6763 -34.1526 -34.1430 -24.5443 -24.4977 -24.3970 -24.3833 -1.4041 -1.2396 -1.2144 -1.1391 5.2251 5.2753 5.4449 5.5168 6.5592 6.8038 7.1151 7.1820 7.6206 7.7182 8.7037 8.7287 10.8074 11.2007 13.0995 13.1694 14.3448 14.5183 15.1694 15.5677 16.3917 16.5954 k = 0.6295-0.3842-1.1116 ( 2553 PWs) bands (ev): -62.6763 -62.6763 -34.1523 -34.1428 -24.5445 -24.4995 -24.3941 -24.3816 -1.4115 -1.2483 -1.2224 -1.1496 5.2400 5.2912 5.3957 5.4711 6.6261 6.8299 7.1675 7.2082 7.6042 7.6936 8.7157 8.7351 10.7825 11.1687 13.1449 13.2261 14.3717 14.5467 15.1601 15.5484 16.3428 16.5363 k = 0.6245-0.3646-1.1116 ( 2551 PWs) bands (ev): -62.6764 -62.6764 -34.1519 -34.1426 -24.5446 -24.5015 -24.3909 -24.3797 -1.4198 -1.2577 -1.2309 -1.1611 5.2512 5.3060 5.3510 5.4251 6.6871 6.8485 7.2045 7.2731 7.5902 7.6708 8.7273 8.7410 10.7562 11.1355 13.1934 13.2864 14.4004 14.5790 15.1468 15.5219 16.2910 16.4738 k = 0.6195-0.3449-1.1116 ( 2549 PWs) bands (ev): -62.6765 -62.6765 -34.1515 -34.1424 -24.5449 -24.5036 -24.3875 -24.3775 -1.4288 -1.2678 -1.2397 -1.1736 5.2442 5.3079 5.3310 5.3866 6.7369 6.8633 7.2391 7.3614 7.5798 7.6508 8.7380 8.7462 10.7291 11.1020 13.2443 13.3493 14.4300 14.6149 15.1310 15.4896 16.2366 16.4082 k = 0.6146-0.3253-1.1116 ( 2547 PWs) bands (ev): -62.6766 -62.6766 -34.1510 -34.1421 -24.5452 -24.5058 -24.3839 -24.3751 -1.4383 -1.2785 -1.2488 -1.1868 5.2079 5.2864 5.3367 5.3768 6.7717 6.8770 7.2815 7.4577 7.5759 7.6357 8.7478 8.7502 10.7017 11.0687 13.2966 13.4138 14.4592 14.6541 15.1150 15.4532 16.1795 16.3398 k = 0.6096-0.3056-1.1116 ( 2545 PWs) bands (ev): -62.6767 -62.6767 -34.1506 -34.1419 -24.5455 -24.5081 -24.3801 -24.3726 -1.4482 -1.2899 -1.2582 -1.2006 5.1602 5.2441 5.3530 5.3911 6.7920 6.8897 7.3292 7.5356 7.6008 7.6312 8.7530 8.7566 10.6743 11.0361 13.3496 13.4791 14.4861 14.6961 15.1014 15.4142 16.1200 16.2692 k = 0.6046-0.2860-1.1116 ( 2549 PWs) bands (ev): -62.6768 -62.6768 -34.1501 -34.1416 -24.5460 -24.5105 -24.3763 -24.3699 -1.4584 -1.3018 -1.2678 -1.2147 5.1103 5.1951 5.3745 5.4117 6.8018 6.8993 7.3738 7.5484 7.6477 7.6958 8.7545 8.7640 10.6472 11.0044 13.4025 13.5444 14.5083 14.7401 15.0933 15.3743 16.0584 16.1967 k = 0.5996-0.2663-1.1116 ( 2553 PWs) bands (ev): -62.6769 -62.6769 -34.1496 -34.1414 -24.5464 -24.5129 -24.3724 -24.3671 -1.4688 -1.3143 -1.2774 -1.2290 5.0606 5.1448 5.3979 5.4341 6.8056 6.9047 7.4063 7.5437 7.6943 7.8095 8.7546 8.7702 10.6207 10.9738 13.4546 13.6091 14.5233 14.7846 15.0938 15.3358 15.9948 16.1229 k = 0.5946-0.2467-1.1116 ( 2543 PWs) bands (ev): -62.6770 -62.6770 -34.1490 -34.1411 -24.5469 -24.5153 -24.3685 -24.3641 -1.4792 -1.3273 -1.2871 -1.2431 5.0120 5.0948 5.4223 5.4572 6.8058 6.9058 7.4261 7.5364 7.7674 7.9280 8.7531 8.7753 10.5947 10.9443 13.5053 13.6726 14.5289 14.8276 15.1058 15.3013 15.9298 16.0485 k = 0.5896-0.2270-1.1116 ( 2543 PWs) bands (ev): -62.6771 -62.6771 -34.1485 -34.1409 -24.5474 -24.5178 -24.3646 -24.3611 -1.4895 -1.3408 -1.2967 -1.2571 4.9649 5.0456 5.4468 5.4803 6.8040 6.9035 7.4380 7.5297 7.8579 8.0491 8.7500 8.7794 10.5693 10.9159 13.5540 13.7342 14.5243 14.8654 15.1303 15.2748 15.8638 15.9741 k = 0.5847-0.2074-1.1116 ( 2547 PWs) bands (ev): -62.6772 -62.6772 -34.1480 -34.1407 -24.5479 -24.5202 -24.3608 -24.3581 -1.4996 -1.3548 -1.3062 -1.2707 4.9196 4.9978 5.4711 5.5032 6.8009 6.8985 7.4469 7.5251 7.9584 8.1715 8.7454 8.7828 10.5444 10.8884 13.6001 13.7936 14.5101 14.8931 15.1671 15.2615 15.7973 15.9008 k = 0.5797-0.1877-1.1116 ( 2545 PWs) bands (ev): -62.6774 -62.6774 -34.1474 -34.1405 -24.5484 -24.5225 -24.3570 -24.3550 -1.5093 -1.3692 -1.3156 -1.2838 4.8764 4.9516 5.4949 5.5253 6.7970 6.8914 7.4553 7.5232 8.0641 8.2941 8.7392 8.7863 10.5199 10.8616 13.6433 13.8501 14.4884 14.9057 15.2145 15.2659 15.7311 15.8298 k = 0.5747-0.1681-1.1116 ( 2537 PWs) bands (ev): -62.6775 -62.6775 -34.1468 -34.1402 -24.5489 -24.5248 -24.3533 -24.3519 -1.5187 -1.3838 -1.3246 -1.2963 4.8354 4.9072 5.5179 5.5467 6.7924 6.8829 7.4646 7.5242 8.1718 8.4155 8.7316 8.7914 10.4956 10.8352 13.6831 13.9031 14.4616 14.9019 15.2699 15.2887 15.6658 15.7631 k = 0.5697-0.1484-1.1116 ( 2537 PWs) bands (ev): -62.6776 -62.6776 -34.1463 -34.1401 -24.5493 -24.5271 -24.3498 -24.3489 -1.5275 -1.3986 -1.3333 -1.3081 4.7966 4.8649 5.5399 5.5669 6.7874 6.8732 7.4754 7.5282 8.2783 8.5335 8.7226 8.8011 10.4712 10.8088 13.7191 13.9520 14.4320 14.8853 15.3181 15.3360 15.6022 15.7044 k = 0.5647-0.1288-1.1116 ( 2539 PWs) bands (ev): -62.6777 -62.6777 -34.1458 -34.1399 -24.5498 -24.5293 -24.3465 -24.3459 -1.5357 -1.4135 -1.3417 -1.3193 4.7603 4.8247 5.5606 5.5859 6.7822 6.8628 7.4880 7.5352 8.3798 8.6422 8.7124 8.8235 10.4465 10.7820 13.7513 13.9958 14.4021 14.8609 15.3494 15.4033 15.5411 15.6616 k = 0.5598-0.1091-1.1116 ( 2537 PWs) bands (ev): -62.6778 -62.6778 -34.1452 -34.1398 -24.5502 -24.5314 -24.3434 -24.3429 -1.5432 -1.4283 -1.3496 -1.3297 4.7266 4.7868 5.5801 5.6035 6.7768 6.8519 7.5024 7.5449 8.4699 8.7011 8.7301 8.8752 10.4212 10.7545 13.7794 14.0333 14.3745 14.8326 15.3611 15.4740 15.4841 15.6478 k = 0.5548-0.0895-1.1116 ( 2541 PWs) bands (ev): -62.6778 -62.6778 -34.1447 -34.1397 -24.5506 -24.5335 -24.3406 -24.3400 -1.5500 -1.4429 -1.3570 -1.3394 4.6955 4.7513 5.5981 5.6196 6.7716 6.8407 7.5185 7.5570 8.5387 8.6889 8.7986 8.9631 10.3952 10.7257 13.8037 14.0623 14.3519 14.8028 15.3453 15.4263 15.5507 15.6700 k = 0.5498-0.0698-1.1116 ( 2540 PWs) bands (ev): -62.6779 -62.6779 -34.1442 -34.1396 -24.5508 -24.5354 -24.3380 -24.3372 -1.5559 -1.4572 -1.3638 -1.3483 4.6670 4.7183 5.6146 5.6342 6.7665 6.8296 7.5359 7.5710 8.5796 8.6760 8.8724 9.0681 10.3680 10.6952 13.8242 14.0805 14.3376 14.7727 15.3112 15.3724 15.6275 15.7181 k = 0.5448-0.0501-1.1116 ( 2540 PWs) bands (ev): -62.6780 -62.6780 -34.1437 -34.1395 -24.5511 -24.5372 -24.3355 -24.3347 -1.5609 -1.4710 -1.3701 -1.3565 4.6414 4.6880 5.6296 5.6472 6.7618 6.8187 7.5545 7.5865 8.5975 8.6627 8.9590 9.1767 10.3397 10.6626 13.8413 14.0864 14.3339 14.7430 15.2709 15.3214 15.7049 15.7790 k = 0.5398-0.0305-1.1116 ( 2540 PWs) bands (ev): -62.6781 -62.6781 -34.1432 -34.1395 -24.5512 -24.5390 -24.3333 -24.3324 -1.5650 -1.4842 -1.3757 -1.3639 4.6186 4.6603 5.6430 5.6587 6.7575 6.8081 7.5737 7.6028 8.6018 8.6492 9.0530 9.2837 10.3103 10.6274 13.8555 14.0807 14.3404 14.7138 15.2306 15.2740 15.7816 15.8447 k = 0.5349-0.0108-1.1116 ( 2544 PWs) bands (ev): -62.6782 -62.6782 -34.1428 -34.1395 -24.5513 -24.5406 -24.3312 -24.3303 -1.5680 -1.4967 -1.3807 -1.3705 4.5987 4.6354 5.6548 5.6686 6.7537 6.7981 7.5930 7.6192 8.5991 8.6356 9.1491 9.3864 10.2802 10.5894 13.8675 14.0668 14.3542 14.6852 15.1933 15.2311 15.8562 15.9110 k = 0.5299 0.0088-1.1116 ( 2548 PWs) bands (ev): -62.6782 -62.6782 -34.1424 -34.1395 -24.5512 -24.5422 -24.3294 -24.3286 -1.5701 -1.5084 -1.3850 -1.3764 4.5817 4.6134 5.6651 5.6769 6.7507 6.7887 7.6119 7.6352 8.5931 8.6223 9.2440 9.4824 10.2501 10.5483 13.8777 14.0485 14.3723 14.6573 15.1603 15.1931 15.9273 15.9748 k = 0.5249 0.0285-1.1116 ( 2550 PWs) bands (ev): -62.6783 -62.6783 -34.1420 -34.1396 -24.5511 -24.5436 -24.3278 -24.3271 -1.5710 -1.5193 -1.3886 -1.3815 4.5677 4.5942 5.6739 5.6837 6.7484 6.7801 7.6298 7.6499 8.5860 8.6096 9.3359 9.5689 10.2218 10.5038 13.8870 14.0283 14.3925 14.6300 15.1324 15.1604 15.9931 16.0337 k = 0.5199 0.0481-1.1116 ( 2552 PWs) bands (ev): -62.6783 -62.6783 -34.1416 -34.1397 -24.5509 -24.5448 -24.3265 -24.3258 -1.5709 -1.5293 -1.3914 -1.3858 4.5566 4.5780 5.6812 5.6890 6.7470 6.7724 7.6460 7.6627 8.5791 8.5978 9.4230 9.6417 10.1988 10.4562 13.8960 14.0080 14.4136 14.6032 15.1101 15.1330 16.0519 16.0854 k = 0.5149 0.0678-1.1116 ( 2548 PWs) bands (ev): -62.6783 -62.6783 -34.1413 -34.1398 -24.5505 -24.5460 -24.3254 -24.3249 -1.5696 -1.5383 -1.3935 -1.3893 4.5486 4.5647 5.6870 5.6929 6.7466 6.7656 7.6600 7.6729 8.5734 8.5875 9.5040 9.6947 10.1864 10.4059 13.9052 13.9886 14.4353 14.5770 15.0935 15.1111 16.1017 16.1276 k = 0.5100 0.0874-1.1116 ( 2546 PWs) bands (ev): -62.6784 -62.6784 -34.1409 -34.1400 -24.5500 -24.5470 -24.3246 -24.3243 -1.5672 -1.5463 -1.3948 -1.3920 4.5437 4.5544 5.6915 5.6954 6.7471 6.7598 7.6711 7.6799 8.5695 8.5791 9.5771 9.7211 10.1906 10.3538 13.9153 13.9705 14.4574 14.5516 15.0825 15.0946 16.1405 16.1582 k = 0.5050 0.1071-1.1116 ( 2548 PWs) bands (ev): -62.6784 -62.6784 -34.1406 -34.1402 -24.5495 -24.5480 -24.3241 -24.3239 -1.5636 -1.5532 -1.3953 -1.3939 4.5418 4.5472 5.6945 5.6965 6.7487 6.7550 7.6789 7.6834 8.5680 8.5728 9.6399 9.7180 10.2143 10.3019 13.9266 13.9541 14.4799 14.5269 15.0773 15.0834 16.1665 16.1756 k = 0.5000 0.1267-1.1116 ( 2550 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.5590 -1.5590 -1.3950 -1.3950 4.5430 4.5430 5.6962 5.6962 6.7513 6.7513 7.6831 7.6831 8.5691 8.5691 9.6887 9.6887 10.2536 10.2536 13.9395 13.9395 14.5031 14.5031 15.0776 15.0776 16.1784 16.1784 k = 0.5000 0.1267-1.1116 ( 2550 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.5590 -1.5590 -1.3950 -1.3950 4.5430 4.5430 5.6962 5.6962 6.7513 6.7513 7.6831 7.6831 8.5691 8.5691 9.6887 9.6887 10.2536 10.2536 13.9395 13.9395 14.5031 14.5031 15.0776 15.0776 16.1784 16.1784 k = 0.5177 0.1312-1.1031 ( 2549 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5487 -24.3239 -24.3239 -1.5613 -1.5573 -1.3967 -1.3928 4.5420 4.5434 5.6963 5.6972 6.7489 6.7516 7.6828 7.6829 8.5691 8.5726 9.6876 9.6909 10.2532 10.2536 13.9384 13.9409 14.4961 14.5118 15.0647 15.0905 16.1754 16.1778 k = 0.5354 0.1357-1.0946 ( 2545 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5487 -24.5487 -24.3238 -24.3238 -1.5645 -1.5565 -1.3981 -1.3904 4.5405 4.5433 5.6977 5.6995 6.7445 6.7499 7.6820 7.6824 8.5727 8.5795 9.6876 9.6942 10.2526 10.2533 13.9375 13.9426 14.4908 14.5223 15.0519 15.1032 16.1687 16.1734 k = 0.5531 0.1402-1.0861 ( 2553 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5487 -24.5486 -24.3239 -24.3239 -1.5682 -1.5565 -1.3989 -1.3876 4.5385 4.5426 5.7003 5.7031 6.7382 6.7463 7.6809 7.6813 8.5797 8.5897 9.6885 9.6984 10.2517 10.2526 13.9370 13.9446 14.4872 14.5343 15.0395 15.1159 16.1585 16.1655 k = 0.5708 0.1447-1.0776 ( 2556 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1403 -24.5486 -24.5485 -24.3239 -24.3239 -1.5726 -1.5573 -1.3993 -1.3846 4.5361 4.5414 5.7039 5.7079 6.7299 6.7409 7.6793 7.6798 8.5901 8.6031 9.6905 9.7037 10.2504 10.2516 13.9369 13.9466 14.4850 14.5474 15.0278 15.1286 16.1449 16.1541 k = 0.5885 0.1492-1.0692 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1403 -24.5485 -24.5483 -24.3239 -24.3238 -1.5776 -1.5591 -1.3992 -1.3813 4.5333 4.5398 5.7087 5.7138 6.7199 6.7339 7.6774 7.6780 8.6036 8.6194 9.6934 9.7098 10.2488 10.2502 13.9370 13.9487 14.4841 14.5611 15.0176 15.1416 16.1282 16.1395 k = 0.6062 0.1536-1.0607 ( 2551 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1402 -24.5483 -24.5481 -24.3238 -24.3238 -1.5831 -1.5617 -1.3986 -1.3779 4.5302 4.5377 5.7144 5.7209 6.7084 6.7254 7.6752 7.6758 8.6201 8.6383 9.6971 9.7168 10.2468 10.2484 13.9373 13.9508 14.4840 14.5745 15.0096 15.1550 16.1087 16.1218 k = 0.6240 0.1581-1.0522 ( 2555 PWs) bands (ev): -62.6784 -62.6784 -34.1402 -34.1402 -24.5481 -24.5478 -24.3238 -24.3238 -1.5892 -1.5652 -1.3975 -1.3743 4.5269 4.5353 5.7210 5.7291 6.6955 6.7157 7.6728 7.6732 8.6393 8.6597 9.7016 9.7244 10.2445 10.2461 13.9378 13.9528 14.4845 14.5867 15.0049 15.1690 16.0867 16.1015 k = 0.6417 0.1626-1.0437 ( 2551 PWs) bands (ev): -62.6785 -62.6785 -34.1402 -34.1401 -24.5478 -24.5476 -24.3238 -24.3238 -1.5957 -1.5695 -1.3960 -1.3707 4.5235 4.5325 5.7286 5.7382 6.6816 6.7050 7.6701 7.6704 8.6609 8.6831 9.7067 9.7326 10.2417 10.2433 13.9385 13.9546 14.4851 14.5963 15.0048 15.1839 16.0626 16.0787 k = 0.6594 0.1671-1.0353 ( 2550 PWs) bands (ev): -62.6785 -62.6785 -34.1401 -34.1400 -24.5476 -24.5472 -24.3238 -24.3238 -1.6027 -1.5746 -1.3940 -1.3669 4.5200 4.5296 5.7369 5.7482 6.6669 6.6935 7.6673 7.6675 8.6847 8.7083 9.7122 9.7413 10.2386 10.2400 13.9392 13.9562 14.4855 14.6021 15.0105 15.1996 16.0367 16.0540 k = 0.6594 0.1671-1.0353 ( 2550 PWs) bands (ev): -62.6785 -62.6785 -34.1401 -34.1400 -24.5476 -24.5472 -24.3238 -24.3238 -1.6027 -1.5746 -1.3940 -1.3669 4.5200 4.5296 5.7369 5.7482 6.6669 6.6935 7.6673 7.6675 8.6847 8.7083 9.7122 9.7413 10.2386 10.2400 13.9392 13.9562 14.4855 14.6021 15.0105 15.1996 16.0367 16.0540 k = 0.6565 0.1664-1.0150 ( 2552 PWs) bands (ev): -62.6786 -62.6786 -34.1398 -34.1397 -24.5463 -24.5459 -24.3238 -24.3237 -1.6121 -1.5821 -1.4043 -1.3760 4.5360 4.5457 5.7432 5.7547 6.6760 6.7013 7.6732 7.6734 8.6775 8.7017 9.7075 9.7360 10.2347 10.2367 13.9306 13.9482 14.4790 14.6047 14.9956 15.1918 16.0334 16.0495 k = 0.6536 0.1656-0.9948 ( 2556 PWs) bands (ev): -62.6787 -62.6787 -34.1394 -34.1393 -24.5446 -24.5441 -24.3237 -24.3236 -1.6256 -1.5940 -1.4159 -1.3867 4.5568 4.5667 5.7531 5.7648 6.6860 6.7100 7.6808 7.6813 8.6716 8.6964 9.7010 9.7290 10.2266 10.2292 13.9191 13.9370 14.4668 14.5989 14.9832 15.1820 16.0287 16.0436 k = 0.6507 0.1649-0.9746 ( 2548 PWs) bands (ev): -62.6788 -62.6788 -34.1389 -34.1387 -24.5425 -24.5419 -24.3236 -24.3235 -1.6431 -1.6104 -1.4287 -1.3990 4.5823 4.5923 5.7665 5.7785 6.6968 6.7195 7.6902 7.6910 8.6670 8.6924 9.6925 9.7202 10.2146 10.2176 13.9048 13.9228 14.4498 14.5856 14.9727 15.1703 16.0228 16.0366 k = 0.6478 0.1642-0.9544 ( 2550 PWs) bands (ev): -62.6790 -62.6790 -34.1383 -34.1381 -24.5400 -24.5392 -24.3234 -24.3233 -1.6644 -1.6311 -1.4425 -1.4130 4.6123 4.6224 5.7834 5.7956 6.7081 6.7294 7.7014 7.7027 8.6637 8.6899 9.6822 9.7098 10.1989 10.2023 13.8881 13.9061 14.4291 14.5663 14.9631 15.1567 16.0156 16.0282 k = 0.6449 0.1634-0.9342 ( 2548 PWs) bands (ev): -62.6792 -62.6792 -34.1376 -34.1373 -24.5371 -24.5362 -24.3233 -24.3232 -1.6894 -1.6560 -1.4575 -1.4284 4.6468 4.6569 5.8037 5.8160 6.7198 6.7397 7.7145 7.7161 8.6618 8.6888 9.6700 9.6976 10.1800 10.1837 13.8694 13.8873 14.4054 14.5425 14.9533 15.1412 16.0071 16.0185 k = 0.6420 0.1627-0.9140 ( 2546 PWs) bands (ev): -62.6794 -62.6794 -34.1368 -34.1365 -24.5338 -24.5328 -24.3231 -24.3230 -1.7180 -1.6849 -1.4734 -1.4453 4.6855 4.6957 5.8272 5.8397 6.7316 6.7501 7.7294 7.7314 8.6614 8.6891 9.6560 9.6838 10.1585 10.1625 13.8491 13.8667 14.3796 14.5159 14.9425 15.1238 15.9971 16.0074 k = 0.6391 0.1620-0.8938 ( 2548 PWs) bands (ev): -62.6796 -62.6796 -34.1359 -34.1356 -24.5301 -24.5290 -24.3229 -24.3227 -1.7500 -1.7176 -1.4904 -1.4634 4.7282 4.7384 5.8539 5.8665 6.7431 6.7602 7.7460 7.7484 8.6624 8.6910 9.6402 9.6683 10.1350 10.1393 13.8275 13.8447 14.3525 14.4877 14.9297 15.1046 15.9857 15.9949 k = 0.6362 0.1612-0.8736 ( 2544 PWs) bands (ev): -62.6799 -62.6799 -34.1349 -34.1346 -24.5260 -24.5248 -24.3226 -24.3224 -1.7853 -1.7537 -1.5083 -1.4827 4.7748 4.7850 5.8837 5.8963 6.7540 6.7698 7.7644 7.7673 8.6650 8.6945 9.6228 9.6512 10.1101 10.1149 13.8050 13.8217 14.3246 14.4589 14.9145 15.0833 15.9726 15.9809 k = 0.6333 0.1605-0.8534 ( 2540 PWs) bands (ev): -62.6802 -62.6802 -34.1338 -34.1334 -24.5216 -24.5202 -24.3223 -24.3221 -1.8237 -1.7931 -1.5272 -1.5031 4.8249 4.8351 5.9162 5.9290 6.7639 6.7784 7.7846 7.7880 8.6692 8.6995 9.6038 9.6326 10.0848 10.0900 13.7821 13.7982 14.2965 14.4302 14.8964 15.0600 15.9580 15.9653 k = 0.6304 0.1598-0.8332 ( 2542 PWs) bands (ev): -62.6805 -62.6805 -34.1326 -34.1323 -24.5169 -24.5154 -24.3220 -24.3218 -1.8649 -1.8354 -1.5470 -1.5244 4.8784 4.8885 5.9515 5.9644 6.7724 6.7857 7.8065 7.8104 8.6750 8.7062 9.5833 9.6126 10.0597 10.0654 13.7589 13.7745 14.2686 14.4020 14.8753 15.0346 15.9416 15.9480 k = 0.6275 0.1590-0.8129 ( 2536 PWs) bands (ev): -62.6808 -62.6808 -34.1314 -34.1310 -24.5118 -24.5102 -24.3216 -24.3213 -1.9087 -1.8804 -1.5676 -1.5465 4.9349 4.9450 5.9893 6.0024 6.7790 6.7913 7.8301 7.8345 8.6825 8.7146 9.5616 9.5913 10.0357 10.0420 13.7359 13.7509 14.2411 14.3746 14.8512 15.0071 15.9234 15.9290 k = 0.6246 0.1583-0.7927 ( 2533 PWs) bands (ev): -62.6812 -62.6812 -34.1300 -34.1296 -24.5064 -24.5047 -24.3211 -24.3208 -1.9550 -1.9278 -1.5889 -1.5695 4.9943 5.0042 6.0294 6.0428 6.7834 6.7948 7.8554 7.8604 8.6918 8.7246 9.5386 9.5687 10.0136 10.0206 13.7134 13.7278 14.2141 14.3484 14.8239 14.9774 15.9033 15.9082 k = 0.6217 0.1576-0.7725 ( 2531 PWs) bands (ev): -62.6816 -62.6816 -34.1286 -34.1282 -24.5008 -24.4990 -24.3206 -24.3203 -2.0034 -1.9774 -1.6110 -1.5931 5.0562 5.0660 6.0717 6.0854 6.7851 6.7958 7.8824 7.8880 8.7028 8.7362 9.5145 9.5449 9.9943 10.0021 13.6917 13.7056 14.1879 14.3234 14.7938 14.9458 15.8814 15.8856 k = 0.6188 0.1568-0.7523 ( 2532 PWs) bands (ev): -62.6820 -62.6820 -34.1272 -34.1267 -24.4949 -24.4930 -24.3200 -24.3197 -2.0538 -2.0289 -1.6337 -1.6172 5.1202 5.1299 6.1159 6.1301 6.7839 6.7942 7.9110 7.9172 8.7157 8.7496 9.4893 9.5199 9.9785 9.9873 13.6711 13.6844 14.1624 14.2996 14.7608 14.9122 15.8574 15.8611 k = 0.6159 0.1561-0.7321 ( 2531 PWs) bands (ev): -62.6824 -62.6824 -34.1256 -34.1252 -24.4888 -24.4867 -24.3194 -24.3190 -2.1059 -2.0821 -1.6570 -1.6419 5.1862 5.1957 6.1618 6.1766 6.7794 6.7896 7.9413 7.9481 8.7303 8.7647 9.4630 9.4938 9.9671 9.9770 13.6518 13.6646 14.1378 14.2770 14.7253 14.8769 15.8315 15.8347 k = 0.6130 0.1554-0.7119 ( 2530 PWs) bands (ev): -62.6828 -62.6828 -34.1240 -34.1235 -24.4825 -24.4803 -24.3186 -24.3182 -2.1595 -2.1367 -1.6808 -1.6670 5.2537 5.2630 6.2090 6.2249 6.7715 6.7821 7.9731 7.9807 8.7468 8.7814 9.4355 9.4663 9.9609 9.9720 13.6340 13.6465 14.1139 14.2556 14.6874 14.8400 15.8035 15.8063 k = 0.6101 0.1546-0.6917 ( 2527 PWs) bands (ev): -62.6833 -62.6833 -34.1224 -34.1219 -24.4761 -24.4738 -24.3178 -24.3173 -2.2143 -2.1925 -1.7050 -1.6924 5.3224 5.3314 6.2573 6.2747 6.7604 6.7719 8.0065 8.0148 8.7652 8.7998 9.4068 9.4376 9.9605 9.9729 13.6180 13.6302 14.0907 14.2354 14.6476 14.8018 15.7735 15.7758 k = 0.6072 0.1539-0.6715 ( 2523 PWs) bands (ev): -62.6837 -62.6837 -34.1207 -34.1201 -24.4695 -24.4671 -24.3168 -24.3162 -2.2701 -2.2492 -1.7296 -1.7181 5.3917 5.4005 6.3062 6.3258 6.7461 6.7593 8.0413 8.0505 8.7852 8.8198 9.3768 9.4076 9.9665 9.9802 13.6039 13.6159 14.0683 14.2163 14.6061 14.7626 15.7413 15.7433 k = 0.6043 0.1532-0.6513 ( 2527 PWs) bands (ev): -62.6842 -62.6842 -34.1189 -34.1184 -24.4628 -24.4603 -24.3157 -24.3151 -2.3267 -2.3068 -1.7544 -1.7440 5.4612 5.4695 6.3552 6.3779 6.7292 6.7451 8.0776 8.0877 8.8068 8.8412 9.3454 9.3763 9.9793 9.9941 13.5918 13.6038 14.0466 14.1982 14.5632 14.7226 15.7070 15.7088 k = 0.6014 0.1524-0.6311 ( 2531 PWs) bands (ev): -62.6847 -62.6847 -34.1172 -34.1166 -24.4562 -24.4535 -24.3145 -24.3138 -2.3840 -2.3648 -1.7793 -1.7699 5.5300 5.5379 6.4034 6.4309 6.7104 6.7308 8.1152 8.1264 8.8299 8.8639 9.3128 9.3440 9.9990 10.0150 13.5819 13.5939 14.0255 14.1810 14.5195 14.6822 15.6706 15.6722 k = 0.5985 0.1517-0.6108 ( 2527 PWs) bands (ev): -62.6852 -62.6852 -34.1153 -34.1148 -24.4494 -24.4467 -24.3131 -24.3123 -2.4416 -2.4233 -1.8044 -1.7959 5.5973 5.6047 6.4492 6.4843 6.6909 6.7186 8.1542 8.1665 8.8541 8.8876 9.2792 9.3108 10.0257 10.0426 13.5743 13.5864 14.0051 14.1646 14.4752 14.6417 15.6321 15.6335 k = 0.5956 0.1510-0.5906 ( 2533 PWs) bands (ev): -62.6857 -62.6857 -34.1135 -34.1129 -24.4428 -24.4399 -24.3115 -24.3107 -2.4994 -2.4819 -1.8296 -1.8219 5.6618 5.6686 6.4902 6.5372 6.6730 6.7121 8.1943 8.2078 8.8790 8.9120 9.2451 9.2774 10.0592 10.0770 13.5688 13.5813 13.9853 14.1491 14.4309 14.6014 15.5915 15.5927 k = 0.5927 0.1502-0.5704 ( 2537 PWs) bands (ev): -62.6862 -62.6862 -34.1116 -34.1111 -24.4362 -24.4333 -24.3096 -24.3088 -2.5573 -2.5405 -1.8547 -1.8478 5.7220 5.7281 6.5230 6.5862 6.6615 6.7165 8.2354 8.2504 8.9038 8.9361 9.2113 9.2444 10.0992 10.1176 13.5657 13.5785 13.9663 14.1342 14.3870 14.5617 15.5489 15.5500 k = 0.5898 0.1495-0.5502 ( 2542 PWs) bands (ev): -62.6867 -62.6867 -34.1098 -34.1092 -24.4297 -24.4268 -24.3075 -24.3066 -2.6150 -2.5989 -1.8797 -1.8735 5.7759 5.7811 6.5455 6.6149 6.6751 6.7359 8.2775 8.2942 8.9273 8.9583 9.1795 9.2132 10.1453 10.1643 13.5647 13.5781 13.9480 14.1198 14.3441 14.5230 15.5042 15.5053 k = 0.5869 0.1487-0.5300 ( 2538 PWs) bands (ev): -62.6872 -62.6872 -34.1078 -34.1073 -24.4235 -24.4205 -24.3052 -24.3042 -2.6724 -2.6570 -1.9045 -1.8990 5.8208 5.8253 6.5613 6.6195 6.7202 6.7693 8.3203 8.3390 8.9475 8.9753 9.1531 9.1860 10.1970 10.2164 13.5658 13.5800 13.9306 14.1057 14.3027 14.4854 15.4576 15.4586 k = 0.5840 0.1480-0.5098 ( 2535 PWs) bands (ev): -62.6878 -62.6878 -34.1059 -34.1054 -24.4174 -24.4144 -24.3025 -24.3015 -2.7293 -2.7145 -1.9291 -1.9241 5.8542 5.8582 6.5779 6.6258 6.7736 6.8122 8.3635 8.3847 8.9607 8.9809 9.1382 9.1664 10.2537 10.2734 13.5688 13.5842 13.9143 14.0918 14.2635 14.4494 15.4092 15.4102 k = 0.5811 0.1473-0.4896 ( 2537 PWs) bands (ev): -62.6883 -62.6883 -34.1040 -34.1035 -24.4117 -24.4086 -24.2995 -24.2985 -2.7856 -2.7714 -1.9534 -1.9490 5.8742 5.8777 6.6016 6.6425 6.8289 6.8604 8.4069 8.4311 8.9628 8.9700 9.1403 9.1588 10.3149 10.3348 13.5737 13.5903 13.8991 14.0777 14.2272 14.4151 15.3590 15.3601 k = 0.5782 0.1465-0.4694 ( 2535 PWs) bands (ev): -62.6888 -62.6888 -34.1021 -34.1015 -24.4063 -24.4032 -24.2962 -24.2951 -2.8411 -2.8276 -1.9773 -1.9734 5.8799 5.8832 6.6358 6.6716 6.8848 6.9113 8.4500 8.4781 8.9452 8.9523 9.1566 9.1651 10.3800 10.3999 13.5802 13.5984 13.8855 14.0629 14.1947 14.3828 15.3071 15.3083 k = 0.5753 0.1458-0.4492 ( 2541 PWs) bands (ev): -62.6893 -62.6893 -34.1002 -34.0997 -24.4012 -24.3981 -24.2925 -24.2915 -2.8957 -2.8828 -2.0008 -1.9974 5.8723 5.8755 6.6809 6.7129 6.9408 6.9638 8.4919 8.5252 8.9129 8.9327 9.1809 9.1824 10.4483 10.4683 13.5881 13.6083 13.8737 14.0471 14.1668 14.3526 15.2538 15.2551 k = 0.5724 0.1451-0.4290 ( 2541 PWs) bands (ev): -62.6898 -62.6898 -34.0984 -34.0978 -24.3965 -24.3935 -24.2885 -24.2875 -2.9493 -2.9369 -2.0239 -2.0209 5.8536 5.8567 6.7357 6.7647 6.9968 7.0170 8.5316 8.5721 8.8776 8.9093 9.2061 9.2091 10.5194 10.5392 13.5971 13.6196 13.8640 14.0301 14.1442 14.3248 15.1991 15.2006 k = 0.5695 0.1443-0.4087 ( 2537 PWs) bands (ev): -62.6903 -62.6903 -34.0965 -34.0959 -24.3922 -24.3892 -24.2841 -24.2831 -3.0017 -2.9898 -2.0464 -2.0438 5.8261 5.8293 6.7985 6.8248 7.0526 7.0704 8.5670 8.6174 8.8425 8.8871 9.2333 9.2389 10.5925 10.6122 13.6070 13.6322 13.8568 14.0125 14.1266 14.2994 15.1433 15.1449 k = 0.5666 0.1436-0.3885 ( 2537 PWs) bands (ev): -62.6908 -62.6908 -34.0946 -34.0941 -24.3883 -24.3854 -24.2794 -24.2785 -3.0528 -3.0415 -2.0684 -2.0661 5.7923 5.7955 6.8670 6.8910 7.1082 7.1239 8.5948 8.6579 8.8118 8.8709 9.2620 9.2692 10.6671 10.6865 13.6174 13.6457 13.8525 13.9952 14.1137 14.2765 15.0865 15.0884 k = 0.5637 0.1429-0.3683 ( 2533 PWs) bands (ev): -62.6913 -62.6913 -34.0928 -34.0923 -24.3848 -24.3820 -24.2745 -24.2736 -3.1025 -3.0918 -2.0897 -2.0878 5.7541 5.7572 6.9397 6.9613 7.1637 7.1771 8.6108 8.6827 8.7968 8.8661 9.2910 9.2993 10.7427 10.7617 13.6282 13.6599 13.8512 13.9794 14.1045 14.2560 15.0290 15.0312 k = 0.5609 0.1421-0.3481 ( 2530 PWs) bands (ev): -62.6918 -62.6918 -34.0911 -34.0905 -24.3816 -24.3789 -24.2693 -24.2685 -3.1508 -3.1405 -2.1104 -2.1087 5.7130 5.7160 7.0150 7.0342 7.2190 7.2301 8.6120 8.6766 8.8131 8.8760 9.3196 9.3285 10.8187 10.8372 13.6394 13.6744 13.8531 13.9662 14.0984 14.2381 14.9710 14.9735 k = 0.5580 0.1414-0.3279 ( 2524 PWs) bands (ev): -62.6922 -62.6922 -34.0893 -34.0888 -24.3788 -24.3762 -24.2640 -24.2633 -3.1974 -3.1877 -2.1304 -2.1290 5.6702 5.6731 7.0918 7.1082 7.2744 7.2827 8.6000 8.6499 8.8504 8.8993 9.3472 9.3566 10.8945 10.9125 13.6508 13.6890 13.8583 13.9565 14.0948 14.2227 14.9128 14.9156 k = 0.5551 0.1407-0.3077 ( 2524 PWs) bands (ev): -62.6927 -62.6927 -34.0877 -34.0872 -24.3763 -24.3739 -24.2585 -24.2579 -3.2423 -3.2331 -2.1497 -2.1485 5.6267 5.6295 7.1691 7.1819 7.3300 7.3349 8.5793 8.6170 8.8945 8.9317 9.3735 9.3832 10.9697 10.9870 13.6627 13.7033 13.8665 13.9507 14.0933 14.2097 14.8547 14.8579 k = 0.5522 0.1399-0.2875 ( 2524 PWs) bands (ev): -62.6931 -62.6931 -34.0860 -34.0856 -24.3741 -24.3718 -24.2530 -24.2525 -3.2855 -3.2768 -2.1682 -2.1672 5.5830 5.5857 7.2457 7.2541 7.3864 7.3870 8.5539 8.5828 8.9405 8.9693 9.3981 9.4080 11.0437 11.0602 13.6752 13.7174 13.8774 13.9490 14.0937 14.1991 14.7970 14.8006 k = 0.5493 0.1392-0.2673 ( 2523 PWs) bands (ev): -62.6936 -62.6936 -34.0845 -34.0840 -24.3721 -24.3700 -24.2475 -24.2470 -3.3267 -3.3185 -2.1858 -2.1850 5.5399 5.5425 7.3205 7.3234 7.4392 7.4442 8.5264 8.5489 8.9868 9.0094 9.4208 9.4308 11.1161 11.1318 13.6888 13.7312 13.8903 13.9514 14.0957 14.1908 14.7400 14.7440 k = 0.5464 0.1385-0.2471 ( 2525 PWs) bands (ev): -62.6940 -62.6940 -34.0830 -34.0825 -24.3704 -24.3684 -24.2421 -24.2417 -3.3661 -3.3583 -2.2027 -2.2020 5.4978 5.5001 7.3883 7.3921 7.4923 7.5038 8.4984 8.5160 9.0326 9.0505 9.4416 9.4515 11.1864 11.2011 13.7036 13.7449 13.9048 13.9573 14.0992 14.1847 14.6841 14.6887 k = 0.5435 0.1377-0.2269 ( 2515 PWs) bands (ev): -62.6943 -62.6943 -34.0815 -34.0811 -24.3688 -24.3670 -24.2367 -24.2364 -3.4034 -3.3961 -2.2186 -2.2181 5.4569 5.4592 7.4483 7.4587 7.5473 7.5652 8.4708 8.4846 9.0772 9.0915 9.4604 9.4702 11.2542 11.2680 13.7199 13.7588 13.9203 13.9662 14.1040 14.1807 14.6298 14.6349 k = 0.5406 0.1370-0.2066 ( 2515 PWs) bands (ev): -62.6947 -62.6947 -34.0802 -34.0798 -24.3675 -24.3658 -24.2315 -24.2312 -3.4386 -3.4318 -2.2337 -2.2332 5.4177 5.4198 7.5032 7.5187 7.6052 7.6278 8.4445 8.4550 9.1204 9.1316 9.4772 9.4867 11.3191 11.3318 13.7376 13.7733 13.9362 13.9772 14.1100 14.1785 14.5774 14.5831 k = 0.5377 0.1363-0.1864 ( 2515 PWs) bands (ev): -62.6951 -62.6951 -34.0789 -34.0785 -24.3663 -24.3647 -24.2265 -24.2263 -3.4716 -3.4654 -2.2478 -2.2475 5.3804 5.3823 7.5537 7.5718 7.6654 7.6902 8.4198 8.4275 9.1617 9.1702 9.4921 9.5012 11.3808 11.3924 13.7569 13.7884 13.9519 13.9895 14.1169 14.1782 14.5276 14.5338 k = 0.5348 0.1355-0.1662 ( 2517 PWs) bands (ev): -62.6954 -62.6954 -34.0777 -34.0773 -24.3653 -24.3638 -24.2217 -24.2215 -3.5024 -3.4967 -2.2610 -2.2607 5.3452 5.3470 7.6003 7.6191 7.7260 7.7509 8.3974 8.4025 9.2006 9.2067 9.5055 9.5140 11.4389 11.4495 13.7773 13.8045 13.9667 14.0021 14.1247 14.1794 14.4809 14.4875 k = 0.5319 0.1348-0.1460 ( 2507 PWs) bands (ev): -62.6957 -62.6957 -34.0765 -34.0762 -24.3644 -24.3630 -24.2172 -24.2170 -3.5310 -3.5257 -2.2732 -2.2730 5.3122 5.3139 7.6434 7.6618 7.7850 7.8086 8.3775 8.3802 9.2367 9.2407 9.5175 9.5253 11.4932 11.5026 13.7988 13.8214 13.9802 14.0141 14.1331 14.1820 14.4380 14.4449 k = 0.5290 0.1341-0.1258 ( 2505 PWs) bands (ev): -62.6960 -62.6960 -34.0755 -34.0752 -24.3635 -24.3624 -24.2129 -24.2128 -3.5572 -3.5524 -2.2844 -2.2843 5.2818 5.2832 7.6834 7.7008 7.8407 7.8621 8.3607 8.3610 9.2696 9.2716 9.5286 9.5354 11.5433 11.5517 13.8208 13.8389 13.9917 14.0244 14.1420 14.1856 14.3996 14.4066 k = 0.5261 0.1333-0.1056 ( 2508 PWs) bands (ev): -62.6962 -62.6962 -34.0745 -34.0742 -24.3629 -24.3618 -24.2090 -24.2090 -3.5810 -3.5767 -2.2946 -2.2945 5.2538 5.2551 7.7203 7.7363 7.8916 7.9102 8.3453 8.3474 9.2988 9.2989 9.5391 9.5448 11.5891 11.5965 13.8430 13.8569 14.0008 14.0322 14.1512 14.1900 14.3665 14.3731 k = 0.5232 0.1326-0.0854 ( 2508 PWs) bands (ev): -62.6965 -62.6964 -34.0736 -34.0734 -24.3622 -24.3613 -24.2055 -24.2054 -3.6024 -3.5986 -2.3038 -2.3037 5.2286 5.2297 7.7540 7.7686 7.9369 7.9522 8.3335 8.3379 9.3225 9.3240 9.5492 9.5538 11.6305 11.6368 13.8648 13.8749 14.0069 14.0365 14.1606 14.1948 14.3393 14.3451 k = 0.5203 0.1319-0.0652 ( 2513 PWs) bands (ev): -62.6967 -62.6967 -34.0729 -34.0727 -24.3617 -24.3609 -24.2023 -24.2023 -3.6214 -3.6180 -2.3119 -2.3119 5.2061 5.2071 7.7845 7.7974 7.9754 7.9872 8.3260 8.3326 9.3421 9.3450 9.5592 9.5626 11.6672 11.6726 13.8857 13.8926 14.0100 14.0368 14.1698 14.1996 14.3183 14.3230 k = 0.5174 0.1311-0.0450 ( 2515 PWs) bands (ev): -62.6968 -62.6968 -34.0722 -34.0720 -24.3613 -24.3606 -24.1995 -24.1995 -3.6379 -3.6350 -2.3190 -2.3190 5.1865 5.1874 7.8115 7.8227 8.0067 8.0150 8.3228 8.3311 9.3578 9.3616 9.5690 9.5713 11.6992 11.7037 13.9052 13.9094 14.0102 14.0335 14.1788 14.2041 14.3034 14.3066 k = 0.5145 0.1304-0.0248 ( 2515 PWs) bands (ev): -62.6970 -62.6970 -34.0717 -34.0715 -24.3609 -24.3603 -24.1971 -24.1971 -3.6518 -3.6494 -2.3250 -2.3250 5.1698 5.1705 7.8350 7.8443 8.0307 8.0359 8.3237 8.3330 9.3700 9.3743 9.5784 9.5798 11.7264 11.7301 13.9226 13.9250 14.0080 14.0272 14.1873 14.2078 14.2938 14.2957 k = 0.5116 0.1297-0.0045 ( 2513 PWs) bands (ev): -62.6971 -62.6971 -34.0712 -34.0710 -24.3606 -24.3601 -24.1951 -24.1951 -3.6632 -3.6613 -2.3299 -2.3299 5.1561 5.1567 7.8546 7.8621 8.0479 8.0506 8.3278 8.3370 9.3791 9.3833 9.5869 9.5876 11.7488 11.7516 13.9377 13.9387 14.0044 14.0193 14.1948 14.2106 14.2881 14.2890 k = 0.5087 0.1289 0.0157 ( 2513 PWs) bands (ev): -62.6972 -62.6972 -34.0708 -34.0707 -24.3603 -24.3600 -24.1936 -24.1936 -3.6720 -3.6706 -2.3338 -2.3338 5.1454 5.1458 7.8703 7.8759 8.0593 8.0605 8.3336 8.3416 9.3857 9.3894 9.5942 9.5945 11.7663 11.7684 13.9499 13.9503 14.0003 14.0110 14.2011 14.2125 14.2852 14.2856 k = 0.5058 0.1282 0.0359 ( 2502 PWs) bands (ev): -62.6973 -62.6973 -34.0705 -34.0704 -24.3601 -24.3599 -24.1925 -24.1925 -3.6783 -3.6773 -2.3365 -2.3365 5.1377 5.1380 7.8819 7.8856 8.0663 8.0667 8.3396 8.3455 9.3903 9.3930 9.5997 9.5998 11.7789 11.7803 13.9591 13.9592 13.9968 14.0036 14.2062 14.2135 14.2839 14.2840 k = 0.5029 0.1275 0.0561 ( 2504 PWs) bands (ev): -62.6973 -62.6973 -34.0703 -34.0703 -24.3599 -24.3598 -24.1918 -24.1918 -3.6820 -3.6815 -2.3382 -2.3382 5.1332 5.1333 7.8893 7.8911 8.0700 8.0700 8.3445 8.3476 9.3932 9.3946 9.6031 9.6031 11.7866 11.7873 13.9650 13.9651 13.9947 13.9980 14.2099 14.2134 14.2835 14.2835 k = 0.5000 0.1267 0.0763 ( 2500 PWs) bands (ev): -62.6973 -62.6973 -34.0702 -34.0702 -24.3599 -24.3599 -24.1916 -24.1916 -3.6830 -3.6830 -2.3387 -2.3387 5.1317 5.1317 7.8923 7.8923 8.0711 8.0711 8.3473 8.3473 9.3946 9.3946 9.6043 9.6043 11.7894 11.7894 13.9671 13.9671 13.9948 13.9948 14.2123 14.2123 14.2834 14.2834 k = 0.5000-0.9231-0.5558 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.6435 -1.6435 -1.2935 -1.2935 4.4048 4.4048 5.8677 5.8677 6.4573 6.4573 7.5996 7.5996 9.1557 9.1557 9.8280 9.8280 10.1480 10.1480 13.9822 13.9822 14.4260 14.4260 15.4131 15.4131 15.7007 15.7007 k = 0.5177-0.9160-0.5515 ( 2549 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5488 -24.3239 -24.3239 -1.6445 -1.6421 -1.2951 -1.2926 4.4049 4.4057 5.8645 5.8699 6.4541 6.4622 7.5999 7.6000 9.1510 9.1557 9.8231 9.8328 10.1472 10.1498 13.9814 13.9830 14.4252 14.4285 15.4076 15.4170 15.7008 15.7033 k = 0.5354-0.9090-0.5473 ( 2546 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5487 -24.3239 -24.3239 -1.6451 -1.6402 -1.2973 -1.2923 4.4060 4.4076 5.8602 5.8707 6.4529 6.4687 7.6007 7.6009 9.1417 9.1510 9.8180 9.8370 10.1475 10.1526 13.9804 13.9836 14.4260 14.4327 15.4001 15.4193 15.7038 15.7088 k = 0.5531-0.9020-0.5431 ( 2550 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5488 -24.5487 -24.3239 -24.3239 -1.6452 -1.6379 -1.3002 -1.2928 4.4081 4.4105 5.8550 5.8702 6.4537 6.4768 7.6020 7.6023 9.1282 9.1416 9.8130 9.8404 10.1491 10.1562 13.9793 13.9841 14.4284 14.4388 15.3903 15.4199 15.7095 15.7169 k = 0.5708-0.8949-0.5388 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5487 -24.5487 -24.3239 -24.3239 -1.6449 -1.6352 -1.3038 -1.2939 4.4111 4.4143 5.8491 5.8683 6.4565 6.4862 7.6039 7.6043 9.1107 9.1278 9.8080 9.8427 10.1518 10.1605 13.9780 13.9844 14.4321 14.4465 15.3778 15.4188 15.7181 15.7277 k = 0.5885-0.8879-0.5346 ( 2554 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5487 -24.5486 -24.3239 -24.3239 -1.6441 -1.6322 -1.3079 -1.2957 4.4150 4.4190 5.8424 5.8649 6.4616 6.4968 7.6063 7.6068 9.0897 9.1098 9.8031 9.8435 10.1558 10.1655 13.9766 13.9845 14.4368 14.4559 15.3623 15.4157 15.7295 15.7411 k = 0.6062-0.8808-0.5303 ( 2554 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1404 -24.5487 -24.5486 -24.3239 -24.3239 -1.6429 -1.6287 -1.3127 -1.2982 4.4198 4.4247 5.8353 5.8602 6.4687 6.5085 7.6092 7.6098 9.0655 9.0881 9.7979 9.8428 10.1610 10.1710 13.9749 13.9843 14.4425 14.4668 15.3434 15.4103 15.7435 15.7570 k = 0.6240-0.8738-0.5261 ( 2552 PWs) bands (ev): -62.6784 -62.6784 -34.1404 -34.1403 -24.5486 -24.5485 -24.3239 -24.3239 -1.6412 -1.6249 -1.3179 -1.3013 4.4255 4.4311 5.8276 5.8541 6.4780 6.5212 7.6126 7.6132 9.0387 9.0631 9.7926 9.8404 10.1671 10.1770 13.9730 13.9839 14.4487 14.4791 15.3212 15.4024 15.7600 15.7751 k = 0.6417-0.8668-0.5219 ( 2548 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1403 -24.5486 -24.5484 -24.3239 -24.3239 -1.6392 -1.6208 -1.3237 -1.3050 4.4319 4.4383 5.8196 5.8468 6.4893 6.5348 7.6165 7.6171 9.0096 9.0354 9.7869 9.8363 10.1741 10.1833 13.9709 13.9831 14.4552 14.4924 15.2956 15.3917 15.7789 15.7954 k = 0.6594-0.8597-0.5176 ( 2550 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1403 -24.5485 -24.5483 -24.3239 -24.3239 -1.6368 -1.6164 -1.3300 -1.3093 4.4390 4.4461 5.8113 5.8385 6.5024 6.5491 7.6207 7.6213 8.9787 9.0053 9.7807 9.8307 10.1817 10.1899 13.9685 13.9820 14.4617 14.5067 15.2672 15.3784 15.8000 15.8177 k = 0.6771-0.8527-0.5134 ( 2545 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1403 -24.5484 -24.5482 -24.3239 -24.3238 -1.6339 -1.6118 -1.3366 -1.3142 4.4467 4.4545 5.8029 5.8292 6.5172 6.5642 7.6253 7.6258 8.9463 8.9735 9.7741 9.8236 10.1895 10.1966 13.9659 13.9805 14.4679 14.5214 15.2364 15.3624 15.8230 15.8416 k = 0.6948-0.8456-0.5092 ( 2543 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1402 -24.5483 -24.5481 -24.3238 -24.3238 -1.6308 -1.6070 -1.3436 -1.3196 4.4549 4.4634 5.7942 5.8193 6.5335 6.5798 7.6302 7.6307 8.9129 8.9403 9.7671 9.8153 10.1975 10.2032 13.9631 13.9786 14.4734 14.5363 15.2041 15.3444 15.8476 15.8670 k = 0.7125-0.8386-0.5049 ( 2547 PWs) bands (ev): -62.6784 -62.6784 -34.1403 -34.1402 -24.5483 -24.5481 -24.3238 -24.3238 -1.6273 -1.6021 -1.3508 -1.3255 4.4637 4.4727 5.7855 5.8088 6.5510 6.5959 7.6353 7.6357 8.8788 8.9062 9.7596 9.8061 10.2053 10.2097 13.9601 13.9763 14.4782 14.5509 15.1711 15.3247 15.8736 15.8936 k = 0.7302-0.8316-0.5007 ( 2547 PWs) bands (ev): -62.6784 -62.6784 -34.1402 -34.1402 -24.5482 -24.5479 -24.3238 -24.3238 -1.6236 -1.5970 -1.3582 -1.3318 4.4727 4.4822 5.7768 5.7981 6.5696 6.6123 7.6406 7.6409 8.8446 8.8718 9.7518 9.7960 10.2128 10.2159 13.9569 13.9737 14.4820 14.5647 15.1384 15.3039 15.9005 15.9208 k = 0.7479-0.8245-0.4964 ( 2545 PWs) bands (ev): -62.6784 -62.6784 -34.1402 -34.1402 -24.5481 -24.5478 -24.3238 -24.3238 -1.6196 -1.5921 -1.3657 -1.3384 4.4821 4.4919 5.7683 5.7874 6.5888 6.6289 7.6460 7.6462 8.8105 8.8373 9.7438 9.7854 10.2198 10.2217 13.9535 13.9707 14.4848 14.5772 15.1068 15.2825 15.9280 15.9484 k = 0.7656-0.8175-0.4922 ( 2546 PWs) bands (ev): -62.6784 -62.6784 -34.1402 -34.1401 -24.5479 -24.5477 -24.3238 -24.3238 -1.6154 -1.5872 -1.3732 -1.3453 4.4916 4.5017 5.7599 5.7768 6.6085 6.6455 7.6515 7.6516 8.7771 8.8033 9.7357 9.7744 10.2261 10.2269 13.9500 13.9675 14.4865 14.5878 15.0774 15.2610 15.9558 15.9760 k = 0.7833-0.8104-0.4880 ( 2550 PWs) bands (ev): -62.6785 -62.6785 -34.1402 -34.1401 -24.5478 -24.5475 -24.3238 -24.3238 -1.6112 -1.5826 -1.3805 -1.3525 4.5012 4.5113 5.7518 5.7666 6.6283 6.6620 7.6569 7.6570 8.7447 8.7702 9.7276 9.7633 10.2315 10.2316 13.9465 13.9639 14.4871 14.5958 15.0510 15.2398 15.9835 16.0030 k = 0.8010-0.8034-0.4837 ( 2550 PWs) bands (ev): -62.6785 -62.6785 -34.1401 -34.1401 -24.5477 -24.5474 -24.3238 -24.3238 -1.6069 -1.5783 -1.3875 -1.3597 4.5107 4.5206 5.7441 5.7570 6.6479 6.6781 7.6622 7.6623 8.7137 8.7384 9.7197 9.7522 10.2354 10.2363 13.9428 13.9602 14.4868 14.6008 15.0285 15.2193 16.0105 16.0292 k = 0.8187-0.7964-0.4795 ( 2550 PWs) bands (ev): -62.6785 -62.6785 -34.1401 -34.1400 -24.5476 -24.5472 -24.3238 -24.3238 -1.6027 -1.5746 -1.3940 -1.3669 4.5200 4.5296 5.7369 5.7482 6.6669 6.6935 7.6673 7.6675 8.6847 8.7083 9.7122 9.7413 10.2386 10.2400 13.9392 13.9562 14.4855 14.6021 15.0105 15.1996 16.0367 16.0540 Writing output data file WS2.save init_run : 3.76s CPU 11.57s WALL ( 1 calls) electrons : 578.53s CPU 589.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.26s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 578.51s CPU 589.47s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.04s WALL ( 1 calls) v_xc : 0.03s CPU 0.59s WALL ( 1 calls) newd : 0.22s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 377 calls) cegterg : 359.69s CPU 362.44s WALL ( 486 calls) Called by sum_band: Called by *egterg: h_psi : 274.74s CPU 280.39s WALL ( 7686 calls) s_psi : 12.21s CPU 12.60s WALL ( 7686 calls) g_psi : 0.22s CPU 0.27s WALL ( 6823 calls) cdiaghg : 63.98s CPU 63.06s WALL ( 7200 calls) cegterg:over : 17.99s CPU 15.58s WALL ( 6823 calls) cegterg:upda : 1.74s CPU 3.47s WALL ( 6823 calls) cegterg:last : 2.15s CPU 2.75s WALL ( 1706 calls) Called by h_psi: h_psi:vloc : 252.75s CPU 257.43s WALL ( 7686 calls) h_psi:vnl : 21.91s CPU 22.68s WALL ( 7686 calls) add_vuspsi : 6.05s CPU 8.97s WALL ( 7686 calls) General routines calbec : 15.84s CPU 13.65s WALL ( 7686 calls) fft : 0.59s CPU 1.22s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 235.81s CPU 239.01s WALL ( 737992 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 6.53s WALL ( 754 calls) Parallel routines fft_scatter : 108.35s CPU 109.14s WALL ( 738015 calls) PWSCF : 10m53.63s CPU 14m 6.39s WALL This run was terminated on: 7:20:19 27Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=