Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:59:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2Te5.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 29 8 1798 707 106 Max 55 30 9 1800 729 108 Sum 3897 2113 591 129537 51463 7739 bravais-lattice index = 14 lattice parameter (alat) = 13.9691 a.u. unit-cell volume = 1840.1507 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.969119 celldm(2)= 1.000000 celldm(3)= 0.777853 celldm(4)= 0.353198 celldm(5)= 0.353198 celldm(6)= 0.238272 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.238272 0.971199 0.000000 ) a(3) = ( 0.274736 0.215480 0.695086 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.245338 -0.319199 ) b(2) = ( 0.000000 1.029656 -0.319199 ) b(3) = ( 0.000000 0.000000 1.438672 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 223 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 2) = ( 0.0161290 0.0126503 -0.0102967), wk = 0.0044843 k( 3) = ( 0.0322581 0.0253006 -0.0205935), wk = 0.0044843 k( 4) = ( 0.0483871 0.0379509 -0.0308902), wk = 0.0044843 k( 5) = ( 0.0645161 0.0506012 -0.0411870), wk = 0.0044843 k( 6) = ( 0.0806452 0.0632514 -0.0514837), wk = 0.0044843 k( 7) = ( 0.0967742 0.0759017 -0.0617804), wk = 0.0044843 k( 8) = ( 0.1129032 0.0885520 -0.0720772), wk = 0.0044843 k( 9) = ( 0.1290323 0.1012023 -0.0823739), wk = 0.0044843 k( 10) = ( 0.1451613 0.1138526 -0.0926707), wk = 0.0044843 k( 11) = ( 0.1612903 0.1265029 -0.1029674), wk = 0.0044843 k( 12) = ( 0.1774194 0.1391532 -0.1132642), wk = 0.0044843 k( 13) = ( 0.1935484 0.1518035 -0.1235609), wk = 0.0044843 k( 14) = ( 0.2096774 0.1644538 -0.1338576), wk = 0.0044843 k( 15) = ( 0.2258064 0.1771040 -0.1441544), wk = 0.0044843 k( 16) = ( 0.2419355 0.1897543 -0.1544511), wk = 0.0044843 k( 17) = ( 0.2580645 0.2024046 -0.1647479), wk = 0.0044843 k( 18) = ( 0.2741936 0.2150549 -0.1750446), wk = 0.0044843 k( 19) = ( 0.2903226 0.2277052 -0.1853413), wk = 0.0044843 k( 20) = ( 0.3064516 0.2403555 -0.1956381), wk = 0.0044843 k( 21) = ( 0.3225807 0.2530058 -0.2059348), wk = 0.0044843 k( 22) = ( 0.3387097 0.2656561 -0.2162316), wk = 0.0044843 k( 23) = ( 0.3548387 0.2783064 -0.2265283), wk = 0.0044843 k( 24) = ( 0.3709677 0.2909566 -0.2368250), wk = 0.0044843 k( 25) = ( 0.3870968 0.3036069 -0.2471218), wk = 0.0044843 k( 26) = ( 0.4032258 0.3162572 -0.2574185), wk = 0.0044843 k( 27) = ( 0.4193548 0.3289075 -0.2677153), wk = 0.0044843 k( 28) = ( 0.4354839 0.3415578 -0.2780120), wk = 0.0044843 k( 29) = ( 0.4516129 0.3542081 -0.2883088), wk = 0.0044843 k( 30) = ( 0.4677419 0.3668584 -0.2986055), wk = 0.0044843 k( 31) = ( 0.4838710 0.3795087 -0.3089022), wk = 0.0044843 k( 32) = ( 0.5000000 0.3921590 -0.3191990), wk = 0.0044843 k( 33) = ( 0.5000000 0.3921590 -0.3191990), wk = 0.0044843 k( 34) = ( 0.5079078 0.3983612 -0.2991921), wk = 0.0044843 k( 35) = ( 0.5158156 0.4045634 -0.2791853), wk = 0.0044843 k( 36) = ( 0.5237234 0.4107657 -0.2591784), wk = 0.0044843 k( 37) = ( 0.5316312 0.4169679 -0.2391716), wk = 0.0044843 k( 38) = ( 0.5395390 0.4231701 -0.2191647), wk = 0.0044843 k( 39) = ( 0.5474468 0.4293724 -0.1991579), wk = 0.0044843 k( 40) = ( 0.5553546 0.4355746 -0.1791510), wk = 0.0044843 k( 41) = ( 0.5632624 0.4417768 -0.1591442), wk = 0.0044843 k( 42) = ( 0.5711703 0.4479791 -0.1391374), wk = 0.0044843 k( 43) = ( 0.5790781 0.4541813 -0.1191305), wk = 0.0044843 k( 44) = ( 0.5869859 0.4603835 -0.0991237), wk = 0.0044843 k( 45) = ( 0.5948937 0.4665858 -0.0791168), wk = 0.0044843 k( 46) = ( 0.6028015 0.4727880 -0.0591100), wk = 0.0044843 k( 47) = ( 0.6107093 0.4789902 -0.0391031), wk = 0.0044843 k( 48) = ( 0.6186171 0.4851925 -0.0190963), wk = 0.0044843 k( 49) = ( 0.6265249 0.4913947 0.0009106), wk = 0.0044843 k( 50) = ( 0.6344327 0.4975969 0.0209174), wk = 0.0044843 k( 51) = ( 0.6423405 0.5037992 0.0409243), wk = 0.0044843 k( 52) = ( 0.6502483 0.5100014 0.0609311), wk = 0.0044843 k( 53) = ( 0.6581561 0.5162036 0.0809380), wk = 0.0044843 k( 54) = ( 0.6581561 0.5162036 0.0809380), wk = 0.0044843 k( 55) = ( 0.6488528 0.5089069 0.0997144), wk = 0.0044843 k( 56) = ( 0.6395495 0.5016102 0.1184908), wk = 0.0044843 k( 57) = ( 0.6302462 0.4943134 0.1372672), wk = 0.0044843 k( 58) = ( 0.6209429 0.4870167 0.1560436), wk = 0.0044843 k( 59) = ( 0.6116396 0.4797199 0.1748200), wk = 0.0044843 k( 60) = ( 0.6023363 0.4724232 0.1935964), wk = 0.0044843 k( 61) = ( 0.5930330 0.4651264 0.2123728), wk = 0.0044843 k( 62) = ( 0.5837297 0.4578297 0.2311492), wk = 0.0044843 k( 63) = ( 0.5744264 0.4505329 0.2499256), wk = 0.0044843 k( 64) = ( 0.5651231 0.4432362 0.2687021), wk = 0.0044843 k( 65) = ( 0.5558198 0.4359394 0.2874785), wk = 0.0044843 k( 66) = ( 0.5465165 0.4286427 0.3062549), wk = 0.0044843 k( 67) = ( 0.5372132 0.4213459 0.3250313), wk = 0.0044843 k( 68) = ( 0.5279099 0.4140492 0.3438077), wk = 0.0044843 k( 69) = ( 0.5186066 0.4067524 0.3625841), wk = 0.0044843 k( 70) = ( 0.5093033 0.3994557 0.3813605), wk = 0.0044843 k( 71) = ( 0.5000000 0.3921590 0.4001369), wk = 0.0044843 k( 72) = ( 0.5000000 0.3921590 0.4001369), wk = 0.0044843 k( 73) = ( 0.5145192 0.3736471 0.4001369), wk = 0.0044843 k( 74) = ( 0.5290384 0.3551352 0.4001369), wk = 0.0044843 k( 75) = ( 0.5435576 0.3366233 0.4001369), wk = 0.0044843 k( 76) = ( 0.5580768 0.3181114 0.4001369), wk = 0.0044843 k( 77) = ( 0.5725960 0.2995995 0.4001369), wk = 0.0044843 k( 78) = ( 0.5871152 0.2810876 0.4001369), wk = 0.0044843 k( 79) = ( 0.6016345 0.2625757 0.4001369), wk = 0.0044843 k( 80) = ( 0.6161537 0.2440638 0.4001369), wk = 0.0044843 k( 81) = ( 0.6306729 0.2255519 0.4001369), wk = 0.0044843 k( 82) = ( 0.6451921 0.2070401 0.4001369), wk = 0.0044843 k( 83) = ( 0.6597113 0.1885282 0.4001369), wk = 0.0044843 k( 84) = ( 0.6742305 0.1700163 0.4001369), wk = 0.0044843 k( 85) = ( 0.6887497 0.1515044 0.4001369), wk = 0.0044843 k( 86) = ( 0.7032689 0.1329925 0.4001369), wk = 0.0044843 k( 87) = ( 0.7177881 0.1144806 0.4001369), wk = 0.0044843 k( 88) = ( 0.7323073 0.0959687 0.4001369), wk = 0.0044843 k( 89) = ( 0.2676927 -0.3413064 0.7193359), wk = 0.0044843 k( 90) = ( 0.2536036 -0.3233429 0.7193359), wk = 0.0044843 k( 91) = ( 0.2395145 -0.3053794 0.7193359), wk = 0.0044843 k( 92) = ( 0.2254254 -0.2874159 0.7193359), wk = 0.0044843 k( 93) = ( 0.2113363 -0.2694524 0.7193359), wk = 0.0044843 k( 94) = ( 0.1972472 -0.2514889 0.7193359), wk = 0.0044843 k( 95) = ( 0.1831581 -0.2335254 0.7193359), wk = 0.0044843 k( 96) = ( 0.1690691 -0.2155619 0.7193359), wk = 0.0044843 k( 97) = ( 0.1549800 -0.1975984 0.7193359), wk = 0.0044843 k( 98) = ( 0.1408909 -0.1796349 0.7193359), wk = 0.0044843 k( 99) = ( 0.1268018 -0.1616714 0.7193359), wk = 0.0044843 k( 100) = ( 0.1127127 -0.1437079 0.7193359), wk = 0.0044843 k( 101) = ( 0.0986236 -0.1257444 0.7193359), wk = 0.0044843 k( 102) = ( 0.0845345 -0.1077810 0.7193359), wk = 0.0044843 k( 103) = ( 0.0704454 -0.0898175 0.7193359), wk = 0.0044843 k( 104) = ( 0.0563564 -0.0718540 0.7193359), wk = 0.0044843 k( 105) = ( 0.0422673 -0.0538905 0.7193359), wk = 0.0044843 k( 106) = ( 0.0281782 -0.0359270 0.7193359), wk = 0.0044843 k( 107) = ( 0.0140891 -0.0179635 0.7193359), wk = 0.0044843 k( 108) = ( 0.0000000 0.0000000 0.7193359), wk = 0.0044843 k( 109) = ( 0.0000000 0.0000000 0.7193359), wk = 0.0044843 k( 110) = ( 0.0179918 0.0141113 0.7193359), wk = 0.0044843 k( 111) = ( 0.0359836 0.0282226 0.7193359), wk = 0.0044843 k( 112) = ( 0.0539753 0.0423338 0.7193359), wk = 0.0044843 k( 113) = ( 0.0719671 0.0564451 0.7193359), wk = 0.0044843 k( 114) = ( 0.0899589 0.0705564 0.7193359), wk = 0.0044843 k( 115) = ( 0.1079507 0.0846677 0.7193359), wk = 0.0044843 k( 116) = ( 0.1259425 0.0987789 0.7193359), wk = 0.0044843 k( 117) = ( 0.1439343 0.1128902 0.7193359), wk = 0.0044843 k( 118) = ( 0.1619260 0.1270015 0.7193359), wk = 0.0044843 k( 119) = ( 0.1799178 0.1411128 0.7193359), wk = 0.0044843 k( 120) = ( 0.1979096 0.1552241 0.7193359), wk = 0.0044843 k( 121) = ( 0.2159014 0.1693353 0.7193359), wk = 0.0044843 k( 122) = ( 0.2338932 0.1834466 0.7193359), wk = 0.0044843 k( 123) = ( 0.2518849 0.1975579 0.7193359), wk = 0.0044843 k( 124) = ( 0.2698767 0.2116692 0.7193359), wk = 0.0044843 k( 125) = ( 0.2878685 0.2257804 0.7193359), wk = 0.0044843 k( 126) = ( 0.3058603 0.2398917 0.7193359), wk = 0.0044843 k( 127) = ( 0.3238521 0.2540030 0.7193359), wk = 0.0044843 k( 128) = ( 0.3418439 0.2681143 0.7193359), wk = 0.0044843 k( 129) = ( 0.5000000 0.3921590 -0.3191990), wk = 0.0044843 k( 130) = ( 0.5143515 0.3738609 -0.3191990), wk = 0.0044843 k( 131) = ( 0.5287029 0.3555629 -0.3191990), wk = 0.0044843 k( 132) = ( 0.5430544 0.3372649 -0.3191990), wk = 0.0044843 k( 133) = ( 0.5574059 0.3189669 -0.3191990), wk = 0.0044843 k( 134) = ( 0.4425941 -0.5643045 0.0000000), wk = 0.0044843 k( 135) = ( 0.4283169 -0.5461011 0.0000000), wk = 0.0044843 k( 136) = ( 0.4140397 -0.5278978 0.0000000), wk = 0.0044843 k( 137) = ( 0.3997624 -0.5096944 0.0000000), wk = 0.0044843 k( 138) = ( 0.3854852 -0.4914910 0.0000000), wk = 0.0044843 k( 139) = ( 0.3712080 -0.4732876 0.0000000), wk = 0.0044843 k( 140) = ( 0.3569308 -0.4550843 0.0000000), wk = 0.0044843 k( 141) = ( 0.3426535 -0.4368809 0.0000000), wk = 0.0044843 k( 142) = ( 0.3283763 -0.4186775 0.0000000), wk = 0.0044843 k( 143) = ( 0.3140991 -0.4004742 0.0000000), wk = 0.0044843 k( 144) = ( 0.2998218 -0.3822708 0.0000000), wk = 0.0044843 k( 145) = ( 0.2855446 -0.3640674 0.0000000), wk = 0.0044843 k( 146) = ( 0.2712674 -0.3458641 0.0000000), wk = 0.0044843 k( 147) = ( 0.2569901 -0.3276607 0.0000000), wk = 0.0044843 k( 148) = ( 0.2427129 -0.3094573 0.0000000), wk = 0.0044843 k( 149) = ( 0.2284357 -0.2912539 0.0000000), wk = 0.0044843 k( 150) = ( 0.2141585 -0.2730506 0.0000000), wk = 0.0044843 k( 151) = ( 0.1998812 -0.2548472 0.0000000), wk = 0.0044843 k( 152) = ( 0.1856040 -0.2366438 0.0000000), wk = 0.0044843 k( 153) = ( 0.1713268 -0.2184405 0.0000000), wk = 0.0044843 k( 154) = ( 0.1570495 -0.2002371 0.0000000), wk = 0.0044843 k( 155) = ( 0.1427723 -0.1820337 0.0000000), wk = 0.0044843 k( 156) = ( 0.1284951 -0.1638303 0.0000000), wk = 0.0044843 k( 157) = ( 0.1142178 -0.1456270 0.0000000), wk = 0.0044843 k( 158) = ( 0.0999406 -0.1274236 0.0000000), wk = 0.0044843 k( 159) = ( 0.0856634 -0.1092202 0.0000000), wk = 0.0044843 k( 160) = ( 0.0713861 -0.0910169 0.0000000), wk = 0.0044843 k( 161) = ( 0.0571089 -0.0728135 0.0000000), wk = 0.0044843 k( 162) = ( 0.0428317 -0.0546101 0.0000000), wk = 0.0044843 k( 163) = ( 0.0285545 -0.0364067 0.0000000), wk = 0.0044843 k( 164) = ( 0.0142772 -0.0182034 0.0000000), wk = 0.0044843 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 167) = ( 0.0217391 -0.0053334 -0.0069391), wk = 0.0044843 k( 168) = ( 0.0434783 -0.0106669 -0.0138782), wk = 0.0044843 k( 169) = ( 0.0652174 -0.0160003 -0.0208173), wk = 0.0044843 k( 170) = ( 0.0869565 -0.0213337 -0.0277564), wk = 0.0044843 k( 171) = ( 0.1086957 -0.0266671 -0.0346955), wk = 0.0044843 k( 172) = ( 0.1304348 -0.0320006 -0.0416346), wk = 0.0044843 k( 173) = ( 0.1521739 -0.0373340 -0.0485738), wk = 0.0044843 k( 174) = ( 0.1739130 -0.0426674 -0.0555129), wk = 0.0044843 k( 175) = ( 0.1956522 -0.0480008 -0.0624520), wk = 0.0044843 k( 176) = ( 0.2173913 -0.0533343 -0.0693911), wk = 0.0044843 k( 177) = ( 0.2391304 -0.0586677 -0.0763302), wk = 0.0044843 k( 178) = ( 0.2608696 -0.0640011 -0.0832693), wk = 0.0044843 k( 179) = ( 0.2826087 -0.0693346 -0.0902084), wk = 0.0044843 k( 180) = ( 0.3043478 -0.0746680 -0.0971475), wk = 0.0044843 k( 181) = ( 0.3260870 -0.0800014 -0.1040866), wk = 0.0044843 k( 182) = ( 0.3478261 -0.0853348 -0.1110257), wk = 0.0044843 k( 183) = ( 0.3695652 -0.0906683 -0.1179648), wk = 0.0044843 k( 184) = ( 0.3913044 -0.0960017 -0.1249039), wk = 0.0044843 k( 185) = ( 0.4130435 -0.1013351 -0.1318431), wk = 0.0044843 k( 186) = ( 0.4347826 -0.1066685 -0.1387822), wk = 0.0044843 k( 187) = ( 0.4565217 -0.1120020 -0.1457213), wk = 0.0044843 k( 188) = ( 0.4782609 -0.1173354 -0.1526604), wk = 0.0044843 k( 189) = ( 0.5000000 -0.1226688 -0.1595995), wk = 0.0044843 k( 190) = ( 0.5000000 -0.1226688 0.5597364), wk = 0.0044843 k( 191) = ( 0.4848485 -0.1189516 0.5427747), wk = 0.0044843 k( 192) = ( 0.4696970 -0.1152343 0.5258130), wk = 0.0044843 k( 193) = ( 0.4545455 -0.1115171 0.5088513), wk = 0.0044843 k( 194) = ( 0.4393939 -0.1077999 0.4918896), wk = 0.0044843 k( 195) = ( 0.4242424 -0.1040826 0.4749279), wk = 0.0044843 k( 196) = ( 0.4090909 -0.1003654 0.4579662), wk = 0.0044843 k( 197) = ( 0.3939394 -0.0966482 0.4410045), wk = 0.0044843 k( 198) = ( 0.3787879 -0.0929309 0.4240428), wk = 0.0044843 k( 199) = ( 0.3636364 -0.0892137 0.4070810), wk = 0.0044843 k( 200) = ( 0.3484849 -0.0854965 0.3901193), wk = 0.0044843 k( 201) = ( 0.3333333 -0.0817792 0.3731576), wk = 0.0044843 k( 202) = ( 0.3181818 -0.0780620 0.3561959), wk = 0.0044843 k( 203) = ( 0.3030303 -0.0743447 0.3392342), wk = 0.0044843 k( 204) = ( 0.2878788 -0.0706275 0.3222725), wk = 0.0044843 k( 205) = ( 0.2727273 -0.0669103 0.3053108), wk = 0.0044843 k( 206) = ( 0.2575758 -0.0631930 0.2883491), wk = 0.0044843 k( 207) = ( 0.2424242 -0.0594758 0.2713874), wk = 0.0044843 k( 208) = ( 0.2272727 -0.0557586 0.2544257), wk = 0.0044843 k( 209) = ( 0.2121212 -0.0520413 0.2374639), wk = 0.0044843 k( 210) = ( 0.1969697 -0.0483241 0.2205022), wk = 0.0044843 k( 211) = ( 0.1818182 -0.0446068 0.2035405), wk = 0.0044843 k( 212) = ( 0.1666667 -0.0408896 0.1865788), wk = 0.0044843 k( 213) = ( 0.1515151 -0.0371724 0.1696171), wk = 0.0044843 k( 214) = ( 0.1363636 -0.0334551 0.1526554), wk = 0.0044843 k( 215) = ( 0.1212121 -0.0297379 0.1356937), wk = 0.0044843 k( 216) = ( 0.1060606 -0.0260207 0.1187320), wk = 0.0044843 k( 217) = ( 0.0909091 -0.0223034 0.1017703), wk = 0.0044843 k( 218) = ( 0.0757576 -0.0185862 0.0848086), wk = 0.0044843 k( 219) = ( 0.0606061 -0.0148689 0.0678468), wk = 0.0044843 k( 220) = ( 0.0454546 -0.0111517 0.0508851), wk = 0.0044843 k( 221) = ( 0.0303030 -0.0074345 0.0339234), wk = 0.0044843 k( 222) = ( 0.0151515 -0.0037172 0.0169617), wk = 0.0044843 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 2) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0044843 k( 3) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0044843 k( 4) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0044843 k( 5) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0044843 k( 6) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0044843 k( 7) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0044843 k( 8) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0044843 k( 9) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0044843 k( 10) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0044843 k( 11) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0044843 k( 12) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0044843 k( 13) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0044843 k( 14) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0044843 k( 15) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0044843 k( 16) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0044843 k( 17) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0044843 k( 18) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0044843 k( 19) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0044843 k( 20) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0044843 k( 21) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0044843 k( 22) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0044843 k( 23) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0044843 k( 24) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0044843 k( 25) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0044843 k( 26) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0044843 k( 27) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0044843 k( 28) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0044843 k( 29) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0044843 k( 30) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0044843 k( 31) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0044843 k( 32) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044843 k( 33) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044843 k( 34) = ( 0.5079078 0.5079078 0.0174155), wk = 0.0044843 k( 35) = ( 0.5158156 0.5158156 0.0348310), wk = 0.0044843 k( 36) = ( 0.5237234 0.5237234 0.0522465), wk = 0.0044843 k( 37) = ( 0.5316312 0.5316312 0.0696620), wk = 0.0044843 k( 38) = ( 0.5395390 0.5395390 0.0870774), wk = 0.0044843 k( 39) = ( 0.5474468 0.5474468 0.1044929), wk = 0.0044843 k( 40) = ( 0.5553546 0.5553546 0.1219084), wk = 0.0044843 k( 41) = ( 0.5632624 0.5632625 0.1393239), wk = 0.0044843 k( 42) = ( 0.5711703 0.5711703 0.1567394), wk = 0.0044843 k( 43) = ( 0.5790781 0.5790781 0.1741549), wk = 0.0044843 k( 44) = ( 0.5869859 0.5869859 0.1915704), wk = 0.0044843 k( 45) = ( 0.5948937 0.5948937 0.2089859), wk = 0.0044843 k( 46) = ( 0.6028015 0.6028015 0.2264014), wk = 0.0044843 k( 47) = ( 0.6107093 0.6107093 0.2438169), wk = 0.0044843 k( 48) = ( 0.6186171 0.6186171 0.2612324), wk = 0.0044843 k( 49) = ( 0.6265249 0.6265249 0.2786478), wk = 0.0044843 k( 50) = ( 0.6344327 0.6344327 0.2960633), wk = 0.0044843 k( 51) = ( 0.6423405 0.6423405 0.3134788), wk = 0.0044843 k( 52) = ( 0.6502483 0.6502483 0.3308943), wk = 0.0044843 k( 53) = ( 0.6581561 0.6581561 0.3483098), wk = 0.0044843 k( 54) = ( 0.6581561 0.6581561 0.3483098), wk = 0.0044843 k( 55) = ( 0.6488528 0.6488528 0.3572328), wk = 0.0044843 k( 56) = ( 0.6395495 0.6395495 0.3661557), wk = 0.0044843 k( 57) = ( 0.6302462 0.6302462 0.3750787), wk = 0.0044843 k( 58) = ( 0.6209429 0.6209429 0.3840016), wk = 0.0044843 k( 59) = ( 0.6116396 0.6116396 0.3929246), wk = 0.0044843 k( 60) = ( 0.6023363 0.6023363 0.4018475), wk = 0.0044843 k( 61) = ( 0.5930330 0.5930330 0.4107705), wk = 0.0044843 k( 62) = ( 0.5837297 0.5837297 0.4196934), wk = 0.0044843 k( 63) = ( 0.5744264 0.5744264 0.4286164), wk = 0.0044843 k( 64) = ( 0.5651231 0.5651231 0.4375393), wk = 0.0044843 k( 65) = ( 0.5558198 0.5558198 0.4464623), wk = 0.0044843 k( 66) = ( 0.5465165 0.5465165 0.4553852), wk = 0.0044843 k( 67) = ( 0.5372132 0.5372132 0.4643082), wk = 0.0044843 k( 68) = ( 0.5279099 0.5279099 0.4732311), wk = 0.0044843 k( 69) = ( 0.5186066 0.5186066 0.4821541), wk = 0.0044843 k( 70) = ( 0.5093033 0.5093033 0.4910771), wk = 0.0044843 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044843 k( 72) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044843 k( 73) = ( 0.5145192 0.4854808 0.5000000), wk = 0.0044843 k( 74) = ( 0.5290384 0.4709616 0.5000000), wk = 0.0044843 k( 75) = ( 0.5435576 0.4564424 0.5000000), wk = 0.0044843 k( 76) = ( 0.5580768 0.4419232 0.5000000), wk = 0.0044843 k( 77) = ( 0.5725960 0.4274040 0.5000000), wk = 0.0044843 k( 78) = ( 0.5871152 0.4128848 0.5000000), wk = 0.0044843 k( 79) = ( 0.6016345 0.3983656 0.5000000), wk = 0.0044843 k( 80) = ( 0.6161537 0.3838463 0.5000000), wk = 0.0044843 k( 81) = ( 0.6306729 0.3693271 0.5000000), wk = 0.0044843 k( 82) = ( 0.6451921 0.3548079 0.5000000), wk = 0.0044843 k( 83) = ( 0.6597113 0.3402887 0.5000000), wk = 0.0044843 k( 84) = ( 0.6742305 0.3257695 0.5000000), wk = 0.0044843 k( 85) = ( 0.6887497 0.3112503 0.5000000), wk = 0.0044843 k( 86) = ( 0.7032689 0.2967311 0.5000000), wk = 0.0044843 k( 87) = ( 0.7177881 0.2822119 0.5000000), wk = 0.0044843 k( 88) = ( 0.7323073 0.2676927 0.5000000), wk = 0.0044843 k( 89) = ( 0.2676927 -0.2676927 0.5000000), wk = 0.0044843 k( 90) = ( 0.2536036 -0.2536036 0.5000000), wk = 0.0044843 k( 91) = ( 0.2395145 -0.2395145 0.5000000), wk = 0.0044843 k( 92) = ( 0.2254254 -0.2254254 0.5000000), wk = 0.0044843 k( 93) = ( 0.2113363 -0.2113363 0.5000000), wk = 0.0044843 k( 94) = ( 0.1972472 -0.1972472 0.5000000), wk = 0.0044843 k( 95) = ( 0.1831581 -0.1831582 0.5000000), wk = 0.0044843 k( 96) = ( 0.1690691 -0.1690691 0.5000000), wk = 0.0044843 k( 97) = ( 0.1549800 -0.1549800 0.5000000), wk = 0.0044843 k( 98) = ( 0.1408909 -0.1408909 0.5000000), wk = 0.0044843 k( 99) = ( 0.1268018 -0.1268018 0.5000000), wk = 0.0044843 k( 100) = ( 0.1127127 -0.1127127 0.5000000), wk = 0.0044843 k( 101) = ( 0.0986236 -0.0986236 0.5000000), wk = 0.0044843 k( 102) = ( 0.0845345 -0.0845345 0.5000000), wk = 0.0044843 k( 103) = ( 0.0704454 -0.0704454 0.5000000), wk = 0.0044843 k( 104) = ( 0.0563564 -0.0563564 0.5000000), wk = 0.0044843 k( 105) = ( 0.0422673 -0.0422673 0.5000000), wk = 0.0044843 k( 106) = ( 0.0281782 -0.0281782 0.5000000), wk = 0.0044843 k( 107) = ( 0.0140891 -0.0140891 0.5000000), wk = 0.0044843 k( 108) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044843 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044843 k( 110) = ( 0.0179918 0.0179918 0.5079837), wk = 0.0044843 k( 111) = ( 0.0359836 0.0359836 0.5159674), wk = 0.0044843 k( 112) = ( 0.0539753 0.0539753 0.5239511), wk = 0.0044843 k( 113) = ( 0.0719671 0.0719671 0.5319348), wk = 0.0044843 k( 114) = ( 0.0899589 0.0899589 0.5399185), wk = 0.0044843 k( 115) = ( 0.1079507 0.1079507 0.5479022), wk = 0.0044843 k( 116) = ( 0.1259425 0.1259425 0.5558859), wk = 0.0044843 k( 117) = ( 0.1439343 0.1439343 0.5638696), wk = 0.0044843 k( 118) = ( 0.1619260 0.1619260 0.5718532), wk = 0.0044843 k( 119) = ( 0.1799178 0.1799178 0.5798370), wk = 0.0044843 k( 120) = ( 0.1979096 0.1979096 0.5878206), wk = 0.0044843 k( 121) = ( 0.2159014 0.2159014 0.5958043), wk = 0.0044843 k( 122) = ( 0.2338932 0.2338932 0.6037880), wk = 0.0044843 k( 123) = ( 0.2518849 0.2518849 0.6117717), wk = 0.0044843 k( 124) = ( 0.2698767 0.2698767 0.6197554), wk = 0.0044843 k( 125) = ( 0.2878685 0.2878685 0.6277391), wk = 0.0044843 k( 126) = ( 0.3058603 0.3058603 0.6357228), wk = 0.0044843 k( 127) = ( 0.3238521 0.3238521 0.6437065), wk = 0.0044843 k( 128) = ( 0.3418439 0.3418439 0.6516902), wk = 0.0044843 k( 129) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044843 k( 130) = ( 0.5143515 0.4856485 0.0000000), wk = 0.0044843 k( 131) = ( 0.5287029 0.4712971 -0.0000000), wk = 0.0044843 k( 132) = ( 0.5430544 0.4569456 0.0000000), wk = 0.0044843 k( 133) = ( 0.5574059 0.4425941 -0.0000000), wk = 0.0044843 k( 134) = ( 0.4425941 -0.4425941 -0.0000000), wk = 0.0044843 k( 135) = ( 0.4283169 -0.4283169 -0.0000000), wk = 0.0044843 k( 136) = ( 0.4140397 -0.4140397 -0.0000000), wk = 0.0044843 k( 137) = ( 0.3997624 -0.3997624 0.0000000), wk = 0.0044843 k( 138) = ( 0.3854852 -0.3854852 -0.0000000), wk = 0.0044843 k( 139) = ( 0.3712080 -0.3712080 0.0000000), wk = 0.0044843 k( 140) = ( 0.3569308 -0.3569308 -0.0000000), wk = 0.0044843 k( 141) = ( 0.3426535 -0.3426535 0.0000000), wk = 0.0044843 k( 142) = ( 0.3283763 -0.3283763 -0.0000000), wk = 0.0044843 k( 143) = ( 0.3140991 -0.3140991 0.0000000), wk = 0.0044843 k( 144) = ( 0.2998218 -0.2998218 0.0000000), wk = 0.0044843 k( 145) = ( 0.2855446 -0.2855446 0.0000000), wk = 0.0044843 k( 146) = ( 0.2712674 -0.2712674 -0.0000000), wk = 0.0044843 k( 147) = ( 0.2569901 -0.2569901 0.0000000), wk = 0.0044843 k( 148) = ( 0.2427129 -0.2427129 -0.0000000), wk = 0.0044843 k( 149) = ( 0.2284357 -0.2284357 -0.0000000), wk = 0.0044843 k( 150) = ( 0.2141585 -0.2141585 -0.0000000), wk = 0.0044843 k( 151) = ( 0.1998812 -0.1998812 0.0000000), wk = 0.0044843 k( 152) = ( 0.1856040 -0.1856040 0.0000000), wk = 0.0044843 k( 153) = ( 0.1713268 -0.1713268 0.0000000), wk = 0.0044843 k( 154) = ( 0.1570495 -0.1570495 0.0000000), wk = 0.0044843 k( 155) = ( 0.1427723 -0.1427723 0.0000000), wk = 0.0044843 k( 156) = ( 0.1284951 -0.1284951 0.0000000), wk = 0.0044843 k( 157) = ( 0.1142178 -0.1142178 -0.0000000), wk = 0.0044843 k( 158) = ( 0.0999406 -0.0999406 0.0000000), wk = 0.0044843 k( 159) = ( 0.0856634 -0.0856634 0.0000000), wk = 0.0044843 k( 160) = ( 0.0713861 -0.0713861 0.0000000), wk = 0.0044843 k( 161) = ( 0.0571089 -0.0571089 -0.0000000), wk = 0.0044843 k( 162) = ( 0.0428317 -0.0428317 0.0000000), wk = 0.0044843 k( 163) = ( 0.0285545 -0.0285545 -0.0000000), wk = 0.0044843 k( 164) = ( 0.0142772 -0.0142772 -0.0000000), wk = 0.0044843 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 167) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0044843 k( 168) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0044843 k( 169) = ( 0.0652174 -0.0000000 0.0000000), wk = 0.0044843 k( 170) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0044843 k( 171) = ( 0.1086957 -0.0000000 0.0000000), wk = 0.0044843 k( 172) = ( 0.1304348 -0.0000000 0.0000000), wk = 0.0044843 k( 173) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0044843 k( 174) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0044843 k( 175) = ( 0.1956522 -0.0000000 0.0000000), wk = 0.0044843 k( 176) = ( 0.2173913 -0.0000000 0.0000000), wk = 0.0044843 k( 177) = ( 0.2391304 -0.0000000 0.0000000), wk = 0.0044843 k( 178) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0044843 k( 179) = ( 0.2826087 -0.0000000 0.0000000), wk = 0.0044843 k( 180) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0044843 k( 181) = ( 0.3260870 -0.0000000 0.0000000), wk = 0.0044843 k( 182) = ( 0.3478261 -0.0000000 0.0000000), wk = 0.0044843 k( 183) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0044843 k( 184) = ( 0.3913044 -0.0000000 0.0000000), wk = 0.0044843 k( 185) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0044843 k( 186) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0044843 k( 187) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0044843 k( 188) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0044843 k( 189) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044843 k( 190) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044843 k( 191) = ( 0.4848485 -0.0000000 0.4848485), wk = 0.0044843 k( 192) = ( 0.4696970 -0.0000000 0.4696970), wk = 0.0044843 k( 193) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0044843 k( 194) = ( 0.4393939 -0.0000000 0.4393939), wk = 0.0044843 k( 195) = ( 0.4242424 -0.0000000 0.4242424), wk = 0.0044843 k( 196) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0044843 k( 197) = ( 0.3939394 -0.0000000 0.3939394), wk = 0.0044843 k( 198) = ( 0.3787879 -0.0000000 0.3787879), wk = 0.0044843 k( 199) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0044843 k( 200) = ( 0.3484849 -0.0000000 0.3484849), wk = 0.0044843 k( 201) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0044843 k( 202) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0044843 k( 203) = ( 0.3030303 -0.0000000 0.3030303), wk = 0.0044843 k( 204) = ( 0.2878788 -0.0000000 0.2878788), wk = 0.0044843 k( 205) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0044843 k( 206) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0044843 k( 207) = ( 0.2424242 -0.0000000 0.2424242), wk = 0.0044843 k( 208) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0044843 k( 209) = ( 0.2121212 -0.0000000 0.2121212), wk = 0.0044843 k( 210) = ( 0.1969697 -0.0000000 0.1969697), wk = 0.0044843 k( 211) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0044843 k( 212) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0044843 k( 213) = ( 0.1515151 -0.0000000 0.1515152), wk = 0.0044843 k( 214) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0044843 k( 215) = ( 0.1212121 -0.0000000 0.1212121), wk = 0.0044843 k( 216) = ( 0.1060606 -0.0000000 0.1060606), wk = 0.0044843 k( 217) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0044843 k( 218) = ( 0.0757576 0.0000000 0.0757576), wk = 0.0044843 k( 219) = ( 0.0606061 -0.0000000 0.0606061), wk = 0.0044843 k( 220) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0044843 k( 221) = ( 0.0303030 -0.0000000 0.0303030), wk = 0.0044843 k( 222) = ( 0.0151515 -0.0000000 0.0151515), wk = 0.0044843 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 Dense grid: 129537 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 51463 G-vectors FFT dimensions: ( 54, 54, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 188, 58) NL pseudopotentials 0.34 Mb ( 94, 238) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1800) G-vector shells 0.01 Mb ( 1773) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 188, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.42 Mb ( 238, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2Te5.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.2 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.2 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.5 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.3 secs Computing kpt #: 18 total cpu time spent up to now is 22.6 secs Computing kpt #: 19 total cpu time spent up to now is 23.8 secs Computing kpt #: 20 total cpu time spent up to now is 25.1 secs Computing kpt #: 21 total cpu time spent up to now is 26.4 secs Computing kpt #: 22 total cpu time spent up to now is 27.6 secs Computing kpt #: 23 total cpu time spent up to now is 28.8 secs Computing kpt #: 24 total cpu time spent up to now is 30.1 secs Computing kpt #: 25 total cpu time spent up to now is 31.2 secs Computing kpt #: 26 total cpu time spent up to now is 32.4 secs Computing kpt #: 27 total cpu time spent up to now is 33.5 secs Computing kpt #: 28 total cpu time spent up to now is 34.6 secs Computing kpt #: 29 total cpu time spent up to now is 35.6 secs Computing kpt #: 30 total cpu time spent up to now is 36.7 secs Computing kpt #: 31 total cpu time spent up to now is 37.8 secs Computing kpt #: 32 total cpu time spent up to now is 39.0 secs Computing kpt #: 33 total cpu time spent up to now is 40.3 secs Computing kpt #: 34 total cpu time spent up to now is 41.4 secs Computing kpt #: 35 total cpu time spent up to now is 42.5 secs Computing kpt #: 36 total cpu time spent up to now is 43.5 secs Computing kpt #: 37 total cpu time spent up to now is 44.6 secs Computing kpt #: 38 total cpu time spent up to now is 45.7 secs Computing kpt #: 39 total cpu time spent up to now is 46.7 secs Computing kpt #: 40 total cpu time spent up to now is 47.8 secs Computing kpt #: 41 total cpu time spent up to now is 48.9 secs Computing kpt #: 42 total cpu time spent up to now is 50.0 secs Computing kpt #: 43 total cpu time spent up to now is 51.4 secs Computing kpt #: 44 total cpu time spent up to now is 52.6 secs Computing kpt #: 45 total cpu time spent up to now is 53.9 secs Computing kpt #: 46 total cpu time spent up to now is 55.3 secs Computing kpt #: 47 total cpu time spent up to now is 56.6 secs Computing kpt #: 48 total cpu time spent up to now is 58.0 secs Computing kpt #: 49 total cpu time spent up to now is 59.3 secs Computing kpt #: 50 total cpu time spent up to now is 60.5 secs Computing kpt #: 51 total cpu time spent up to now is 61.8 secs Computing kpt #: 52 total cpu time spent up to now is 63.0 secs Computing kpt #: 53 total cpu time spent up to now is 64.2 secs Computing kpt #: 54 total cpu time spent up to now is 65.6 secs Computing kpt #: 55 total cpu time spent up to now is 66.8 secs Computing kpt #: 56 total cpu time spent up to now is 68.1 secs Computing kpt #: 57 total cpu time spent up to now is 69.4 secs Computing kpt #: 58 total cpu time spent up to now is 70.7 secs Computing kpt #: 59 total cpu time spent up to now is 72.1 secs Computing kpt #: 60 total cpu time spent up to now is 73.8 secs Computing kpt #: 61 total cpu time spent up to now is 75.6 secs Computing kpt #: 62 total cpu time spent up to now is 77.1 secs Computing kpt #: 63 total cpu time spent up to now is 78.6 secs Computing kpt #: 64 total cpu time spent up to now is 80.1 secs Computing kpt #: 65 total cpu time spent up to now is 81.5 secs Computing kpt #: 66 total cpu time spent up to now is 82.9 secs Computing kpt #: 67 total cpu time spent up to now is 84.3 secs Computing kpt #: 68 total cpu time spent up to now is 85.7 secs Computing kpt #: 69 total cpu time spent up to now is 87.2 secs Computing kpt #: 70 total cpu time spent up to now is 88.5 secs Computing kpt #: 71 total cpu time spent up to now is 90.0 secs Computing kpt #: 72 total cpu time spent up to now is 91.5 secs Computing kpt #: 73 total cpu time spent up to now is 93.0 secs Computing kpt #: 74 total cpu time spent up to now is 94.6 secs Computing kpt #: 75 total cpu time spent up to now is 96.0 secs Computing kpt #: 76 total cpu time spent up to now is 97.6 secs Computing kpt #: 77 total cpu time spent up to now is 98.9 secs Computing kpt #: 78 total cpu time spent up to now is 100.2 secs Computing kpt #: 79 total cpu time spent up to now is 101.5 secs Computing kpt #: 80 total cpu time spent up to now is 102.7 secs Computing kpt #: 81 total cpu time spent up to now is 103.9 secs Computing kpt #: 82 total cpu time spent up to now is 105.1 secs Computing kpt #: 83 total cpu time spent up to now is 106.3 secs Computing kpt #: 84 total cpu time spent up to now is 107.6 secs Computing kpt #: 85 total cpu time spent up to now is 108.8 secs Computing kpt #: 86 total cpu time spent up to now is 110.0 secs Computing kpt #: 87 total cpu time spent up to now is 111.3 secs Computing kpt #: 88 total cpu time spent up to now is 112.5 secs Computing kpt #: 89 total cpu time spent up to now is 113.8 secs Computing kpt #: 90 total cpu time spent up to now is 115.0 secs Computing kpt #: 91 total cpu time spent up to now is 116.2 secs Computing kpt #: 92 total cpu time spent up to now is 117.4 secs Computing kpt #: 93 total cpu time spent up to now is 118.5 secs Computing kpt #: 94 total cpu time spent up to now is 119.7 secs Computing kpt #: 95 total cpu time spent up to now is 120.8 secs Computing kpt #: 96 total cpu time spent up to now is 122.0 secs Computing kpt #: 97 total cpu time spent up to now is 123.1 secs Computing kpt #: 98 total cpu time spent up to now is 124.1 secs Computing kpt #: 99 total cpu time spent up to now is 125.1 secs Computing kpt #: 100 total cpu time spent up to now is 126.1 secs Computing kpt #: 101 total cpu time spent up to now is 127.2 secs Computing kpt #: 102 total cpu time spent up to now is 128.2 secs Computing kpt #: 103 total cpu time spent up to now is 129.2 secs Computing kpt #: 104 total cpu time spent up to now is 130.1 secs Computing kpt #: 105 total cpu time spent up to now is 131.0 secs Computing kpt #: 106 total cpu time spent up to now is 132.0 secs Computing kpt #: 107 total cpu time spent up to now is 133.0 secs Computing kpt #: 108 total cpu time spent up to now is 134.0 secs Computing kpt #: 109 total cpu time spent up to now is 134.9 secs Computing kpt #: 110 total cpu time spent up to now is 135.9 secs Computing kpt #: 111 total cpu time spent up to now is 136.9 secs Computing kpt #: 112 total cpu time spent up to now is 137.8 secs Computing kpt #: 113 total cpu time spent up to now is 138.8 secs Computing kpt #: 114 total cpu time spent up to now is 139.8 secs Computing kpt #: 115 total cpu time spent up to now is 140.9 secs Computing kpt #: 116 total cpu time spent up to now is 141.9 secs Computing kpt #: 117 total cpu time spent up to now is 142.9 secs Computing kpt #: 118 total cpu time spent up to now is 144.0 secs Computing kpt #: 119 total cpu time spent up to now is 145.2 secs Computing kpt #: 120 total cpu time spent up to now is 146.3 secs Computing kpt #: 121 total cpu time spent up to now is 147.3 secs Computing kpt #: 122 total cpu time spent up to now is 148.5 secs Computing kpt #: 123 total cpu time spent up to now is 149.6 secs Computing kpt #: 124 total cpu time spent up to now is 150.6 secs Computing kpt #: 125 total cpu time spent up to now is 151.7 secs Computing kpt #: 126 total cpu time spent up to now is 152.8 secs Computing kpt #: 127 total cpu time spent up to now is 153.8 secs Computing kpt #: 128 total cpu time spent up to now is 154.8 secs Computing kpt #: 129 total cpu time spent up to now is 155.7 secs Computing kpt #: 130 total cpu time spent up to now is 156.9 secs Computing kpt #: 131 total cpu time spent up to now is 158.1 secs Computing kpt #: 132 total cpu time spent up to now is 159.3 secs Computing kpt #: 133 total cpu time spent up to now is 160.4 secs Computing kpt #: 134 total cpu time spent up to now is 161.4 secs Computing kpt #: 135 total cpu time spent up to now is 162.4 secs Computing kpt #: 136 total cpu time spent up to now is 163.4 secs Computing kpt #: 137 total cpu time spent up to now is 164.5 secs Computing kpt #: 138 total cpu time spent up to now is 165.7 secs Computing kpt #: 139 total cpu time spent up to now is 166.9 secs Computing kpt #: 140 total cpu time spent up to now is 168.1 secs Computing kpt #: 141 total cpu time spent up to now is 169.3 secs Computing kpt #: 142 total cpu time spent up to now is 170.6 secs Computing kpt #: 143 total cpu time spent up to now is 171.9 secs Computing kpt #: 144 total cpu time spent up to now is 173.1 secs Computing kpt #: 145 total cpu time spent up to now is 174.3 secs Computing kpt #: 146 total cpu time spent up to now is 175.4 secs Computing kpt #: 147 total cpu time spent up to now is 176.6 secs Computing kpt #: 148 total cpu time spent up to now is 177.7 secs Computing kpt #: 149 total cpu time spent up to now is 178.8 secs Computing kpt #: 150 total cpu time spent up to now is 179.8 secs Computing kpt #: 151 total cpu time spent up to now is 181.1 secs Computing kpt #: 152 total cpu time spent up to now is 182.3 secs Computing kpt #: 153 total cpu time spent up to now is 183.4 secs Computing kpt #: 154 total cpu time spent up to now is 184.5 secs Computing kpt #: 155 total cpu time spent up to now is 185.8 secs Computing kpt #: 156 total cpu time spent up to now is 187.1 secs Computing kpt #: 157 total cpu time spent up to now is 188.3 secs Computing kpt #: 158 total cpu time spent up to now is 189.6 secs Computing kpt #: 159 total cpu time spent up to now is 190.8 secs Computing kpt #: 160 total cpu time spent up to now is 191.9 secs Computing kpt #: 161 total cpu time spent up to now is 192.9 secs Computing kpt #: 162 total cpu time spent up to now is 193.9 secs Computing kpt #: 163 total cpu time spent up to now is 195.1 secs Computing kpt #: 164 total cpu time spent up to now is 196.7 secs Computing kpt #: 165 total cpu time spent up to now is 197.9 secs Computing kpt #: 166 total cpu time spent up to now is 198.9 secs Computing kpt #: 167 total cpu time spent up to now is 200.0 secs Computing kpt #: 168 total cpu time spent up to now is 201.1 secs Computing kpt #: 169 total cpu time spent up to now is 202.3 secs Computing kpt #: 170 total cpu time spent up to now is 203.3 secs Computing kpt #: 171 total cpu time spent up to now is 204.5 secs Computing kpt #: 172 total cpu time spent up to now is 205.5 secs Computing kpt #: 173 total cpu time spent up to now is 206.6 secs Computing kpt #: 174 total cpu time spent up to now is 207.7 secs Computing kpt #: 175 total cpu time spent up to now is 208.8 secs Computing kpt #: 176 total cpu time spent up to now is 209.9 secs Computing kpt #: 177 total cpu time spent up to now is 211.0 secs Computing kpt #: 178 total cpu time spent up to now is 212.1 secs Computing kpt #: 179 total cpu time spent up to now is 213.3 secs Computing kpt #: 180 total cpu time spent up to now is 214.4 secs Computing kpt #: 181 total cpu time spent up to now is 215.5 secs Computing kpt #: 182 total cpu time spent up to now is 216.7 secs Computing kpt #: 183 total cpu time spent up to now is 217.8 secs Computing kpt #: 184 total cpu time spent up to now is 219.0 secs Computing kpt #: 185 total cpu time spent up to now is 220.1 secs Computing kpt #: 186 total cpu time spent up to now is 221.4 secs Computing kpt #: 187 total cpu time spent up to now is 222.7 secs Computing kpt #: 188 total cpu time spent up to now is 223.9 secs Computing kpt #: 189 total cpu time spent up to now is 225.2 secs Computing kpt #: 190 total cpu time spent up to now is 226.2 secs Computing kpt #: 191 total cpu time spent up to now is 227.4 secs Computing kpt #: 192 total cpu time spent up to now is 228.5 secs Computing kpt #: 193 total cpu time spent up to now is 229.6 secs Computing kpt #: 194 total cpu time spent up to now is 230.6 secs Computing kpt #: 195 total cpu time spent up to now is 231.6 secs Computing kpt #: 196 total cpu time spent up to now is 232.7 secs Computing kpt #: 197 total cpu time spent up to now is 233.8 secs Computing kpt #: 198 total cpu time spent up to now is 235.0 secs Computing kpt #: 199 total cpu time spent up to now is 236.1 secs Computing kpt #: 200 total cpu time spent up to now is 237.3 secs Computing kpt #: 201 total cpu time spent up to now is 238.5 secs Computing kpt #: 202 total cpu time spent up to now is 239.6 secs Computing kpt #: 203 total cpu time spent up to now is 240.6 secs Computing kpt #: 204 total cpu time spent up to now is 241.7 secs Computing kpt #: 205 total cpu time spent up to now is 242.7 secs Computing kpt #: 206 total cpu time spent up to now is 243.8 secs Computing kpt #: 207 total cpu time spent up to now is 245.0 secs Computing kpt #: 208 total cpu time spent up to now is 246.0 secs Computing kpt #: 209 total cpu time spent up to now is 247.2 secs Computing kpt #: 210 total cpu time spent up to now is 248.3 secs Computing kpt #: 211 total cpu time spent up to now is 249.4 secs Computing kpt #: 212 total cpu time spent up to now is 250.6 secs Computing kpt #: 213 total cpu time spent up to now is 251.7 secs Computing kpt #: 214 total cpu time spent up to now is 252.8 secs Computing kpt #: 215 total cpu time spent up to now is 253.9 secs Computing kpt #: 216 total cpu time spent up to now is 255.0 secs Computing kpt #: 217 total cpu time spent up to now is 256.1 secs Computing kpt #: 218 total cpu time spent up to now is 257.2 secs Computing kpt #: 219 total cpu time spent up to now is 258.4 secs Computing kpt #: 220 total cpu time spent up to now is 259.6 secs Computing kpt #: 221 total cpu time spent up to now is 260.7 secs Computing kpt #: 222 total cpu time spent up to now is 261.9 secs Computing kpt #: 223 total cpu time spent up to now is 263.0 secs ethr = 2.08E-08, avg # of iterations = 21.9 total cpu time spent up to now is 263.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6439 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8082 -7.8082 -6.9475 -6.9475 -6.9318 -6.9318 -6.7388 -6.7388 -6.1405 -6.1405 -6.0576 -6.0576 -6.0070 -6.0070 -5.9627 -5.9627 -5.4673 -5.4673 -5.0377 -5.0377 -4.6246 -4.6246 0.4480 0.4480 0.4514 0.4514 1.0363 1.0363 2.2238 2.2238 2.3766 2.3766 2.6789 2.6789 2.7258 2.7258 3.3175 3.3175 3.7790 3.7790 3.7933 3.7933 4.9496 4.9496 5.4435 5.4435 5.9990 5.9990 6.5591 6.5591 7.3966 7.3966 7.6545 7.6545 k = 0.0161 0.0127-0.0103 ( 6439 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8080 -7.8080 -6.9516 -6.9516 -6.9290 -6.9290 -6.7388 -6.7388 -6.1397 -6.1397 -6.0577 -6.0577 -6.0067 -6.0067 -5.9625 -5.9625 -5.4674 -5.4674 -5.0362 -5.0362 -4.6262 -4.6262 0.4455 0.4455 0.4563 0.4563 1.0376 1.0376 2.2211 2.2211 2.3759 2.3759 2.6674 2.6674 2.7364 2.7364 3.3174 3.3174 3.7723 3.7723 3.7938 3.7938 4.9480 4.9480 5.4519 5.4519 5.9991 5.9991 6.5596 6.5596 7.3998 7.3998 7.6451 7.6451 k = 0.0323 0.0253-0.0206 ( 6436 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8072 -7.8072 -6.9605 -6.9605 -6.9239 -6.9239 -6.7390 -6.7390 -6.1372 -6.1372 -6.0578 -6.0578 -6.0060 -6.0060 -5.9622 -5.9622 -5.4676 -5.4676 -5.0314 -5.0314 -4.6307 -4.6307 0.4437 0.4437 0.4655 0.4655 1.0416 1.0416 2.2132 2.2132 2.3736 2.3736 2.6450 2.6450 2.7559 2.7559 3.3168 3.3168 3.7538 3.7538 3.7941 3.7941 4.9430 4.9430 5.4765 5.4765 5.9994 5.9994 6.5615 6.5615 7.4091 7.4091 7.6272 7.6272 k = 0.0484 0.0380-0.0309 ( 6432 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8059 -7.8059 -6.9717 -6.9717 -6.9191 -6.9191 -6.7392 -6.7392 -6.1333 -6.1333 -6.0579 -6.0579 -6.0049 -6.0049 -5.9615 -5.9615 -5.4680 -5.4680 -5.0236 -5.0236 -4.6382 -4.6382 0.4430 0.4430 0.4780 0.4780 1.0483 1.0483 2.2007 2.2007 2.3685 2.3685 2.6201 2.6201 2.7766 2.7766 3.3157 3.3157 3.7258 3.7258 3.7938 3.7938 4.9347 4.9347 5.5152 5.5152 5.9999 5.9999 6.5648 6.5648 7.4234 7.4234 7.6098 7.6098 k = 0.0645 0.0506-0.0412 ( 6436 PWs) bands (ev): -22.1563 -22.1563 -22.1488 -22.1488 -7.8041 -7.8041 -6.9846 -6.9846 -6.9148 -6.9148 -6.7395 -6.7395 -6.1282 -6.1282 -6.0580 -6.0580 -6.0034 -6.0034 -5.9605 -5.9605 -5.4685 -5.4685 -5.0127 -5.0127 -4.6485 -4.6485 0.4433 0.4433 0.4941 0.4941 1.0577 1.0577 2.1843 2.1843 2.3594 2.3594 2.5950 2.5950 2.7966 2.7966 3.3136 3.3136 3.6909 3.6909 3.7933 3.7933 4.9233 4.9233 5.5650 5.5650 6.0011 6.0011 6.5702 6.5702 7.4397 7.4397 7.5973 7.5973 k = 0.0806 0.0633-0.0515 ( 6435 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.8018 -7.8018 -6.9991 -6.9991 -6.9111 -6.9111 -6.7397 -6.7397 -6.1223 -6.1223 -6.0578 -6.0578 -6.0017 -6.0017 -5.9592 -5.9592 -5.4692 -5.4692 -4.9988 -4.9988 -4.6616 -4.6616 0.4443 0.4443 0.5134 0.5134 1.0700 1.0700 2.1648 2.1648 2.3451 2.3451 2.5711 2.5711 2.8155 2.8155 3.3103 3.3103 3.6522 3.6522 3.7926 3.7926 4.9087 4.9087 5.6224 5.6224 6.0032 6.0032 6.5783 6.5783 7.4527 7.4527 7.5951 7.5951 k = 0.0968 0.0759-0.0618 ( 6437 PWs) bands (ev): -22.1562 -22.1562 -22.1489 -22.1489 -7.7990 -7.7990 -7.0150 -7.0150 -6.9077 -6.9077 -6.7398 -6.7398 -6.1160 -6.1160 -6.0573 -6.0573 -5.9999 -5.9999 -5.9574 -5.9574 -5.4699 -5.4699 -4.9820 -4.9820 -4.6773 -4.6773 0.4456 0.4456 0.5356 0.5356 1.0851 1.0851 2.1427 2.1427 2.3246 2.3246 2.5491 2.5491 2.8331 2.8331 3.3048 3.3048 3.6127 3.6127 3.7918 3.7918 4.8913 4.8913 5.6834 5.6834 6.0068 6.0068 6.5900 6.5900 7.4557 7.4557 7.6090 7.6090 k = 0.1129 0.0886-0.0721 ( 6441 PWs) bands (ev): -22.1561 -22.1561 -22.1489 -22.1489 -7.7958 -7.7958 -7.0322 -7.0322 -6.9047 -6.9047 -6.7399 -6.7399 -6.1096 -6.1096 -6.0563 -6.0563 -5.9981 -5.9981 -5.9550 -5.9550 -5.4707 -5.4707 -4.9625 -4.9625 -4.6953 -4.6953 0.4472 0.4472 0.5603 0.5603 1.1032 1.1032 2.1182 2.1182 2.2980 2.2980 2.5296 2.5296 2.8490 2.8490 3.2965 3.2965 3.5757 3.5757 3.7910 3.7910 4.8711 4.8711 5.7442 5.7442 6.0128 6.0128 6.6061 6.6061 7.4467 7.4467 7.6399 7.6399 k = 0.1290 0.1012-0.0824 ( 6435 PWs) bands (ev): -22.1560 -22.1560 -22.1490 -22.1490 -7.7921 -7.7921 -7.0503 -7.0503 -6.9019 -6.9019 -6.7398 -6.7398 -6.1037 -6.1037 -6.0546 -6.0546 -5.9962 -5.9962 -5.9522 -5.9522 -5.4716 -5.4716 -4.9402 -4.9402 -4.7155 -4.7155 0.4489 0.4489 0.5869 0.5869 1.1243 1.1243 2.0912 2.0912 2.2664 2.2664 2.5122 2.5122 2.8632 2.8632 3.2845 3.2845 3.5439 3.5439 3.7903 3.7903 4.8486 4.8486 5.8004 5.8004 6.0222 6.0222 6.6277 6.6277 7.4287 7.4287 7.6834 7.6834 k = 0.1452 0.1139-0.0927 ( 6428 PWs) bands (ev): -22.1560 -22.1560 -22.1490 -22.1490 -7.7881 -7.7881 -7.0693 -7.0693 -6.8993 -6.8993 -6.7397 -6.7397 -6.0986 -6.0986 -6.0522 -6.0522 -5.9945 -5.9945 -5.9488 -5.9488 -5.4724 -5.4724 -4.9155 -4.9155 -4.7377 -4.7377 0.4506 0.4506 0.6148 0.6148 1.1483 1.1483 2.0614 2.0614 2.2317 2.2317 2.4964 2.4964 2.8752 2.8752 3.2687 3.2687 3.5190 3.5190 3.7897 3.7897 4.8239 4.8239 5.8483 5.8483 6.0361 6.0361 6.6554 6.6554 7.4039 7.4039 7.7356 7.7356 k = 0.1613 0.1265-0.1030 ( 6428 PWs) bands (ev): -22.1559 -22.1559 -22.1491 -22.1491 -7.7836 -7.7836 -7.0888 -7.0888 -6.8967 -6.8967 -6.7394 -6.7394 -6.0945 -6.0945 -6.0491 -6.0491 -5.9927 -5.9927 -5.9449 -5.9449 -5.4731 -5.4731 -4.8886 -4.8886 -4.7615 -4.7615 0.4520 0.4520 0.6433 0.6433 1.1753 1.1753 2.0278 2.0278 2.1966 2.1966 2.4815 2.4815 2.8846 2.8846 3.2498 3.2498 3.5016 3.5016 3.7894 3.7894 4.7973 4.7973 5.8855 5.8855 6.0549 6.0549 6.6892 6.6892 7.3729 7.3729 7.7937 7.7937 k = 0.1774 0.1392-0.1133 ( 6427 PWs) bands (ev): -22.1558 -22.1558 -22.1492 -22.1492 -7.7789 -7.7789 -7.1087 -7.1087 -6.8942 -6.8942 -6.7392 -6.7392 -6.0913 -6.0913 -6.0456 -6.0456 -5.9909 -5.9909 -5.9405 -5.9405 -5.4737 -5.4737 -4.8597 -4.8597 -4.7867 -4.7867 0.4529 0.4529 0.6718 0.6718 1.2050 1.2050 1.9898 1.9898 2.1638 2.1638 2.4669 2.4669 2.8910 2.8910 3.2296 3.2296 3.4911 3.4911 3.7895 3.7895 4.7692 4.7692 5.9124 5.9124 6.0774 6.0774 6.7285 6.7285 7.3352 7.3352 7.8563 7.8563 k = 0.1935 0.1518-0.1236 ( 6429 PWs) bands (ev): -22.1557 -22.1557 -22.1493 -22.1493 -7.7739 -7.7739 -7.1287 -7.1287 -6.8916 -6.8916 -6.7388 -6.7388 -6.0889 -6.0889 -6.0420 -6.0420 -5.9890 -5.9890 -5.9359 -5.9359 -5.4740 -5.4740 -4.8305 -4.8305 -4.8116 -4.8116 0.4533 0.4533 0.6997 0.6997 1.2369 1.2369 1.9470 1.9470 2.1354 2.1354 2.4524 2.4524 2.8938 2.8938 3.2103 3.2103 3.4861 3.4861 3.7899 3.7899 4.7399 4.7399 5.9316 5.9316 6.1008 6.1008 6.7715 6.7715 7.2900 7.2900 7.9213 7.9213 k = 0.2097 0.1645-0.1339 ( 6431 PWs) bands (ev): -22.1556 -22.1556 -22.1494 -22.1494 -7.7686 -7.7686 -7.1486 -7.1486 -6.8889 -6.8889 -6.7385 -6.7385 -6.0870 -6.0870 -6.0386 -6.0386 -5.9869 -5.9869 -5.9311 -5.9311 -5.4740 -5.4740 -4.8422 -4.8422 -4.7952 -4.7952 0.4528 0.4528 0.7265 0.7265 1.2705 1.2705 1.9000 1.9000 2.1124 2.1124 2.4379 2.4379 2.8924 2.8924 3.1940 3.1940 3.4854 3.4854 3.7909 3.7909 4.7097 4.7097 5.9460 5.9460 6.1227 6.1227 6.8157 6.8157 7.2368 7.2368 7.9859 7.9859 k = 0.2258 0.1771-0.1442 ( 6440 PWs) bands (ev): -22.1555 -22.1555 -22.1495 -22.1495 -7.7632 -7.7632 -7.1683 -7.1683 -6.8862 -6.8862 -6.7383 -6.7383 -6.0855 -6.0855 -6.0356 -6.0356 -5.9848 -5.9848 -5.9262 -5.9262 -5.4735 -5.4735 -4.8701 -4.8701 -4.7620 -4.7620 0.4512 0.4512 0.7519 0.7519 1.3049 1.3049 1.8505 1.8505 2.0953 2.0953 2.4234 2.4234 2.8867 2.8867 3.1820 3.1820 3.4880 3.4880 3.7925 3.7925 4.6789 4.6789 5.9576 5.9576 6.1422 6.1422 6.8579 6.8579 7.1756 7.1756 8.0424 8.0424 k = 0.2419 0.1898-0.1545 ( 6437 PWs) bands (ev): -22.1554 -22.1554 -22.1496 -22.1496 -7.7576 -7.7576 -7.1876 -7.1876 -6.8834 -6.8834 -6.7381 -6.7381 -6.0841 -6.0841 -6.0332 -6.0332 -5.9825 -5.9825 -5.9213 -5.9213 -5.4726 -5.4726 -4.8990 -4.8990 -4.7276 -4.7276 0.4484 0.4484 0.7755 0.7755 1.3391 1.3391 1.7999 1.7999 2.0840 2.0840 2.4088 2.4088 2.8769 2.8769 3.1747 3.1747 3.4931 3.4931 3.7950 3.7950 4.6480 4.6480 5.9677 5.9677 6.1593 6.1593 6.8942 6.8942 7.1080 7.1080 8.0836 8.0836 k = 0.2581 0.2024-0.1647 ( 6425 PWs) bands (ev): -22.1552 -22.1552 -22.1497 -22.1497 -7.7519 -7.7519 -7.2064 -7.2064 -6.8804 -6.8804 -6.7380 -6.7380 -6.0828 -6.0828 -6.0313 -6.0313 -5.9803 -5.9803 -5.9167 -5.9167 -5.4709 -5.4709 -4.9282 -4.9282 -4.6926 -4.6926 0.4442 0.4442 0.7972 0.7972 1.3718 1.3718 1.7502 1.7502 2.0783 2.0783 2.3946 2.3946 2.8638 2.8638 3.1720 3.1720 3.5001 3.5001 3.7985 3.7985 4.6173 4.6173 5.9765 5.9765 6.1743 6.1743 6.9170 6.9170 7.0402 7.0402 8.1169 8.1169 k = 0.2742 0.2151-0.1750 ( 6429 PWs) bands (ev): -22.1551 -22.1551 -22.1498 -22.1498 -7.7462 -7.7462 -7.2244 -7.2244 -6.8774 -6.8774 -6.7380 -6.7380 -6.0815 -6.0815 -6.0300 -6.0300 -5.9781 -5.9781 -5.9123 -5.9123 -5.4685 -5.4685 -4.9576 -4.9576 -4.6574 -4.6574 0.4383 0.4383 0.8170 0.8170 1.4019 1.4019 1.7027 1.7027 2.0782 2.0782 2.3806 2.3806 2.8482 2.8482 3.1730 3.1730 3.5088 3.5088 3.8033 3.8033 4.5872 4.5872 5.9839 5.9839 6.1879 6.1879 6.8995 6.8995 6.9991 6.9991 8.1482 8.1482 k = 0.2903 0.2277-0.1853 ( 6423 PWs) bands (ev): -22.1550 -22.1550 -22.1500 -22.1500 -7.7406 -7.7406 -7.2417 -7.2417 -6.8742 -6.8742 -6.7381 -6.7381 -6.0801 -6.0801 -6.0290 -6.0290 -5.9762 -5.9762 -5.9083 -5.9083 -5.4652 -5.4652 -4.9870 -4.9870 -4.6223 -4.6223 0.4308 0.4308 0.8347 0.8347 1.4279 1.4279 1.6589 1.6589 2.0835 2.0835 2.3673 2.3673 2.8312 2.8312 3.1770 3.1770 3.5188 3.5188 3.8096 3.8096 4.5580 4.5580 5.9892 5.9892 6.2005 6.2005 6.8311 6.8311 6.9967 6.9967 8.1779 8.1779 k = 0.3065 0.2404-0.1956 ( 6432 PWs) bands (ev): -22.1549 -22.1549 -22.1501 -22.1501 -7.7350 -7.7350 -7.2580 -7.2580 -6.8710 -6.8710 -6.7385 -6.7385 -6.0786 -6.0786 -6.0284 -6.0284 -5.9745 -5.9745 -5.9047 -5.9047 -5.4609 -5.4609 -5.0162 -5.0162 -4.5878 -4.5878 0.4214 0.4214 0.8504 0.8504 1.4484 1.4484 1.6203 1.6203 2.0938 2.0938 2.3547 2.3547 2.8136 2.8136 3.1833 3.1833 3.5299 3.5299 3.8179 3.8179 4.5304 4.5304 5.9908 5.9908 6.2126 6.2126 6.7490 6.7490 6.9986 6.9986 8.2033 8.2033 k = 0.3226 0.2530-0.2059 ( 6443 PWs) bands (ev): -22.1547 -22.1547 -22.1502 -22.1502 -7.7296 -7.7296 -7.2734 -7.2734 -6.8676 -6.8676 -6.7390 -6.7390 -6.0770 -6.0770 -6.0281 -6.0281 -5.9733 -5.9733 -5.9016 -5.9016 -5.4555 -5.4555 -5.0450 -5.0450 -4.5541 -4.5541 0.4104 0.4104 0.8642 0.8642 1.4618 1.4618 1.5888 1.5888 2.1084 2.1084 2.3431 2.3431 2.7961 2.7961 3.1910 3.1910 3.5416 3.5416 3.8283 3.8283 4.5046 4.5046 5.9865 5.9865 6.2246 6.2246 6.6677 6.6677 6.9944 6.9944 8.2196 8.2196 k = 0.3387 0.2657-0.2162 ( 6442 PWs) bands (ev): -22.1546 -22.1546 -22.1504 -22.1504 -7.7244 -7.7244 -7.2876 -7.2876 -6.8642 -6.8642 -6.7396 -6.7396 -6.0753 -6.0753 -6.0279 -6.0279 -5.9724 -5.9724 -5.8990 -5.8990 -5.4490 -5.4490 -5.0734 -5.0734 -4.5218 -4.5218 0.3979 0.3979 0.8761 0.8761 1.4660 1.4660 1.5668 1.5668 2.1263 2.1263 2.3324 2.3324 2.7792 2.7792 3.1997 3.1997 3.5537 3.5537 3.8413 3.8413 4.4814 4.4814 5.9727 5.9727 6.2366 6.2366 6.5942 6.5942 6.9828 6.9828 8.2211 8.2211 k = 0.3548 0.2783-0.2265 ( 6438 PWs) bands (ev): -22.1545 -22.1545 -22.1505 -22.1505 -7.7195 -7.7195 -7.3007 -7.3007 -6.8609 -6.8609 -6.7404 -6.7404 -6.0734 -6.0734 -6.0279 -6.0279 -5.9721 -5.9721 -5.8968 -5.8968 -5.4413 -5.4413 -5.1012 -5.1012 -4.4911 -4.4911 0.3842 0.3842 0.8864 0.8864 1.4604 1.4604 1.5553 1.5553 2.1463 2.1463 2.3229 2.3229 2.7633 2.7633 3.2089 3.2089 3.5656 3.5656 3.8569 3.8569 4.4613 4.4613 5.9458 5.9458 6.2489 6.2489 6.5342 6.5342 6.9643 6.9643 8.2057 8.2057 k = 0.3710 0.2910-0.2368 ( 6450 PWs) bands (ev): -22.1544 -22.1544 -22.1506 -22.1506 -7.7149 -7.7149 -7.3126 -7.3126 -6.8575 -6.8575 -6.7414 -6.7414 -6.0715 -6.0715 -6.0280 -6.0280 -5.9721 -5.9721 -5.8950 -5.8950 -5.4324 -5.4324 -5.1284 -5.1284 -4.4625 -4.4625 0.3698 0.3698 0.8951 0.8951 1.4484 1.4484 1.5514 1.5514 2.1670 2.1670 2.3146 2.3146 2.7487 2.7487 3.2182 3.2182 3.5770 3.5770 3.8749 3.8749 4.4449 4.4449 5.9036 5.9036 6.2620 6.2620 6.4916 6.4916 6.9398 6.9398 8.1769 8.1769 k = 0.3871 0.3036-0.2471 ( 6442 PWs) bands (ev): -22.1542 -22.1542 -22.1507 -22.1507 -7.7107 -7.7107 -7.3232 -7.3232 -6.8543 -6.8543 -6.7424 -6.7424 -6.0695 -6.0695 -6.0281 -6.0281 -5.9726 -5.9726 -5.8935 -5.8935 -5.4222 -5.4222 -5.1547 -5.1547 -4.4363 -4.4363 0.3552 0.3552 0.9023 0.9023 1.4347 1.4347 1.5508 1.5508 2.1874 2.1874 2.3074 2.3074 2.7355 2.7355 3.2273 3.2273 3.5875 3.5875 3.8948 3.8948 4.4330 4.4330 5.8469 5.8469 6.2757 6.2757 6.4667 6.4667 6.9107 6.9107 8.1405 8.1405 k = 0.4032 0.3163-0.2574 ( 6439 PWs) bands (ev): -22.1541 -22.1541 -22.1509 -22.1509 -7.7070 -7.7070 -7.3325 -7.3325 -6.8513 -6.8513 -6.7435 -6.7435 -6.0675 -6.0675 -6.0282 -6.0282 -5.9734 -5.9734 -5.8924 -5.8924 -5.4107 -5.4107 -5.1803 -5.1803 -4.4128 -4.4128 0.3408 0.3408 0.9083 0.9083 1.4220 1.4220 1.5510 1.5510 2.2064 2.2064 2.3013 2.3013 2.7239 2.7239 3.2358 3.2358 3.5968 3.5968 3.9156 3.9156 4.4260 4.4260 5.7803 5.7803 6.2900 6.2900 6.4569 6.4569 6.8784 6.8784 8.1016 8.1016 k = 0.4194 0.3289-0.2677 ( 6436 PWs) bands (ev): -22.1540 -22.1540 -22.1510 -22.1510 -7.7037 -7.7037 -7.3404 -7.3404 -6.8485 -6.8485 -6.7445 -6.7445 -6.0656 -6.0656 -6.0283 -6.0283 -5.9744 -5.9744 -5.8915 -5.8915 -5.3980 -5.3980 -5.2049 -5.2049 -4.3923 -4.3923 0.3275 0.3275 0.9132 0.9132 1.4112 1.4112 1.5512 1.5512 2.2235 2.2235 2.2962 2.2962 2.7141 2.7141 3.2435 3.2435 3.6047 3.6047 3.9360 3.9360 4.4244 4.4244 5.7096 5.7096 6.3042 6.3042 6.4584 6.4584 6.8442 6.8442 8.0639 8.0639 k = 0.4355 0.3416-0.2780 ( 6437 PWs) bands (ev): -22.1539 -22.1539 -22.1511 -22.1511 -7.7010 -7.7010 -7.3469 -7.3469 -6.8460 -6.8460 -6.7456 -6.7456 -6.0638 -6.0638 -6.0284 -6.0284 -5.9755 -5.9755 -5.8909 -5.8909 -5.3842 -5.3842 -5.2286 -5.2286 -4.3751 -4.3751 0.3156 0.3156 0.9170 0.9170 1.4027 1.4027 1.5512 1.5512 2.2380 2.2380 2.2919 2.2919 2.7059 2.7059 3.2502 3.2502 3.6111 3.6111 3.9544 3.9544 4.4277 4.4277 5.6410 5.6410 6.3173 6.3173 6.4677 6.4677 6.8098 6.8098 8.0302 8.0302 k = 0.4516 0.3542-0.2883 ( 6431 PWs) bands (ev): -22.1538 -22.1538 -22.1512 -22.1512 -7.6988 -7.6988 -7.3520 -7.3520 -6.8440 -6.8440 -6.7464 -6.7464 -6.0623 -6.0623 -6.0285 -6.0285 -5.9766 -5.9766 -5.8904 -5.8904 -5.3692 -5.3692 -5.2512 -5.2512 -4.3615 -4.3615 0.3058 0.3058 0.9198 0.9198 1.3963 1.3963 1.5510 1.5510 2.2499 2.2499 2.2883 2.2883 2.6996 2.6996 3.2556 3.2556 3.6160 3.6160 3.9696 3.9696 4.4346 4.4346 5.5800 5.5800 6.3285 6.3285 6.4816 6.4816 6.7771 6.7771 8.0022 8.0022 k = 0.4677 0.3669-0.2986 ( 6423 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6973 -7.6973 -7.3556 -7.3556 -6.8425 -6.8425 -6.7471 -6.7471 -6.0611 -6.0611 -6.0285 -6.0285 -5.9776 -5.9776 -5.8900 -5.8900 -5.3533 -5.3533 -5.2725 -5.2725 -4.3517 -4.3517 0.2985 0.2985 0.9218 0.9218 1.3919 1.3919 1.5508 1.5508 2.2591 2.2591 2.2851 2.2851 2.6951 2.6951 3.2595 3.2595 3.6195 3.6195 3.9807 3.9807 4.4428 4.4428 5.5318 5.5318 6.3370 6.3370 6.4968 6.4968 6.7488 6.7488 7.9813 7.9813 k = 0.4839 0.3795-0.3089 ( 6424 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6963 -7.6963 -7.3578 -7.3578 -6.8416 -6.8416 -6.7476 -6.7476 -6.0603 -6.0603 -6.0285 -6.0285 -5.9782 -5.9782 -5.8898 -5.8898 -5.3374 -5.3374 -5.2918 -5.2918 -4.3457 -4.3457 0.2939 0.2939 0.9230 0.9230 1.3894 1.3894 1.5506 1.5506 2.2654 2.2654 2.2825 2.2825 2.6924 2.6924 3.2620 3.2620 3.6216 3.6216 3.9874 3.9874 4.4494 4.4494 5.5006 5.5006 6.3423 6.3423 6.5092 6.5092 6.7287 6.7287 7.9684 7.9684 k = 0.5000 0.3922-0.3192 ( 6426 PWs) bands (ev): -22.1537 -22.1537 -22.1513 -22.1513 -7.6960 -7.6960 -7.3586 -7.3586 -6.8413 -6.8413 -6.7477 -6.7477 -6.0601 -6.0601 -6.0286 -6.0286 -5.9784 -5.9784 -5.8898 -5.8898 -5.3273 -5.3273 -5.3029 -5.3029 -4.3437 -4.3437 0.2924 0.2924 0.9234 0.9234 1.3885 1.3885 1.5506 1.5506 2.2679 2.2679 2.2812 2.2812 2.6915 2.6915 3.2628 3.2628 3.6223 3.6223 3.9897 3.9897 4.4520 4.4520 5.4899 5.4899 6.3441 6.3441 6.5142 6.5142 6.7213 6.7213 7.9641 7.9641 k = 0.5000 0.3922-0.3192 ( 6426 PWs) bands (ev): -22.1537 -22.1537 -22.1513 -22.1513 -7.6960 -7.6960 -7.3586 -7.3586 -6.8413 -6.8413 -6.7477 -6.7477 -6.0601 -6.0601 -6.0286 -6.0286 -5.9784 -5.9784 -5.8898 -5.8898 -5.3273 -5.3273 -5.3029 -5.3029 -4.3437 -4.3437 0.2924 0.2924 0.9234 0.9234 1.3885 1.3885 1.5506 1.5506 2.2679 2.2679 2.2812 2.2812 2.6915 2.6915 3.2628 3.2628 3.6223 3.6223 3.9897 3.9897 4.4520 4.4520 5.4899 5.4899 6.3441 6.3441 6.5142 6.5142 6.7213 6.7213 7.9641 7.9641 k = 0.5079 0.3984-0.2992 ( 6426 PWs) bands (ev): -22.1537 -22.1537 -22.1513 -22.1513 -7.6951 -7.6951 -7.3579 -7.3579 -6.8415 -6.8415 -6.7478 -6.7478 -6.0638 -6.0638 -6.0267 -6.0267 -5.9784 -5.9784 -5.8899 -5.8899 -5.3622 -5.3622 -5.2664 -5.2664 -4.3453 -4.3453 0.2946 0.2946 0.9201 0.9201 1.3815 1.3815 1.5612 1.5612 2.1993 2.1993 2.3488 2.3488 2.6932 2.6932 3.2646 3.2646 3.6168 3.6168 3.9919 3.9919 4.4507 4.4507 5.4923 5.4923 6.3436 6.3436 6.5142 6.5142 6.7243 6.7243 7.9673 7.9673 k = 0.5158 0.4046-0.2792 ( 6423 PWs) bands (ev): -22.1537 -22.1537 -22.1513 -22.1513 -7.6924 -7.6924 -7.3560 -7.3560 -6.8421 -6.8421 -6.7481 -6.7481 -6.0733 -6.0733 -6.0226 -6.0226 -5.9784 -5.9784 -5.8903 -5.8903 -5.4052 -5.4052 -5.2186 -5.2186 -4.3501 -4.3501 0.3010 0.3010 0.9106 0.9106 1.3641 1.3641 1.5892 1.5892 2.1243 2.1243 2.4205 2.4205 2.6986 2.6986 3.2700 3.2700 3.6013 3.6013 3.9980 3.9980 4.4470 4.4470 5.4997 5.4997 6.3420 6.3420 6.5142 6.5142 6.7331 6.7331 7.9771 7.9771 k = 0.5237 0.4108-0.2592 ( 6431 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6878 -7.6878 -7.3529 -7.3529 -6.8431 -6.8431 -6.7485 -6.7485 -6.0866 -6.0866 -6.0185 -6.0185 -5.9785 -5.9785 -5.8909 -5.8909 -5.4465 -5.4465 -5.1692 -5.1692 -4.3580 -4.3580 0.3116 0.3116 0.8958 0.8958 1.3416 1.3416 1.6274 1.6274 2.0504 2.0504 2.4890 2.4890 2.7080 2.7080 3.2784 3.2784 3.5782 3.5782 4.0063 4.0063 4.4409 4.4409 5.5118 5.5118 6.3395 6.3395 6.5145 6.5145 6.7476 6.7476 7.9932 7.9932 k = 0.5316 0.4170-0.2392 ( 6429 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6814 -7.6814 -7.3485 -7.3485 -6.8445 -6.8445 -6.7491 -6.7491 -6.1029 -6.1029 -6.0151 -6.0151 -5.9785 -5.9785 -5.8917 -5.8917 -5.4857 -5.4857 -5.1187 -5.1187 -4.3690 -4.3690 0.3264 0.3264 0.8770 0.8770 1.3167 1.3167 1.6701 1.6701 1.9804 1.9804 2.5522 2.5522 2.7223 2.7223 3.2887 3.2887 3.5509 3.5509 4.0148 4.0148 4.4327 4.4327 5.5284 5.5284 6.3363 6.3363 6.5151 6.5151 6.7671 6.7671 8.0158 8.0158 k = 0.5395 0.4232-0.2192 ( 6429 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6733 -7.6733 -7.3429 -7.3429 -6.8463 -6.8463 -6.7499 -6.7499 -6.1219 -6.1219 -6.0127 -6.0127 -5.9784 -5.9784 -5.8929 -5.8929 -5.5225 -5.5225 -5.0674 -5.0674 -4.3829 -4.3829 0.3452 0.3452 0.8555 0.8555 1.2904 1.2904 1.7077 1.7077 1.9219 1.9219 2.6069 2.6069 2.7434 2.7434 3.2988 3.2988 3.5237 3.5237 4.0221 4.0221 4.4226 4.4226 5.5490 5.5490 6.3324 6.3324 6.5161 6.5161 6.7913 6.7913 8.0446 8.0446 k = 0.5474 0.4294-0.1992 ( 6436 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6633 -7.6633 -7.3360 -7.3360 -6.8486 -6.8486 -6.7508 -6.7508 -6.1435 -6.1435 -6.0113 -6.0113 -5.9782 -5.9782 -5.8943 -5.8943 -5.5566 -5.5566 -5.0156 -5.0156 -4.3996 -4.3996 0.3679 0.3679 0.8325 0.8325 1.2629 1.2629 1.7165 1.7165 1.8979 1.8979 2.6496 2.6496 2.7735 2.7735 3.3052 3.3052 3.5022 3.5022 4.0273 4.0273 4.4109 4.4109 5.5731 5.5731 6.3282 6.3282 6.5178 6.5178 6.8196 6.8196 8.0795 8.0795 k = 0.5554 0.4356-0.1792 ( 6439 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6515 -7.6515 -7.3281 -7.3281 -6.8514 -6.8514 -6.7519 -6.7519 -6.1677 -6.1677 -6.0108 -6.0108 -5.9780 -5.9780 -5.8960 -5.8960 -5.5881 -5.5881 -4.9634 -4.9634 -4.4189 -4.4189 0.3943 0.3943 0.8090 0.8090 1.2345 1.2345 1.6787 1.6787 1.9255 1.9255 2.6795 2.6795 2.8113 2.8113 3.3038 3.3038 3.4925 3.4925 4.0298 4.0298 4.3978 4.3978 5.6001 5.6001 6.3238 6.3238 6.5201 6.5201 6.8513 6.8513 8.1203 8.1203 k = 0.5633 0.4418-0.1591 ( 6431 PWs) bands (ev): -22.1537 -22.1537 -22.1511 -22.1511 -7.6381 -7.6381 -7.3189 -7.3189 -6.8546 -6.8546 -6.7531 -6.7531 -6.1942 -6.1942 -6.0111 -6.0111 -5.9777 -5.9777 -5.8979 -5.8979 -5.6170 -5.6170 -4.9110 -4.9110 -4.4407 -4.4407 0.4242 0.4242 0.7857 0.7857 1.2053 1.2053 1.6174 1.6174 1.9813 1.9813 2.7000 2.7000 2.8507 2.8507 3.2940 3.2940 3.4975 3.4975 4.0297 4.0297 4.3834 4.3834 5.6294 5.6294 6.3197 6.3197 6.5231 6.5231 6.8858 6.8858 8.1668 8.1668 k = 0.5712 0.4480-0.1391 ( 6437 PWs) bands (ev): -22.1537 -22.1537 -22.1511 -22.1511 -7.6228 -7.6228 -7.3087 -7.3087 -6.8584 -6.8584 -6.7544 -6.7544 -6.2229 -6.2229 -6.0120 -6.0120 -5.9774 -5.9774 -5.9002 -5.9002 -5.6432 -5.6432 -4.8586 -4.8586 -4.4647 -4.4647 0.4573 0.4573 0.7633 0.7633 1.1755 1.1755 1.5493 1.5493 2.0481 2.0481 2.7143 2.7143 2.8855 2.8855 3.2812 3.2812 3.5147 3.5147 4.0277 4.0277 4.3678 4.3678 5.6601 5.6601 6.3160 6.3160 6.5269 6.5269 6.9225 6.9225 8.2188 8.2188 k = 0.5791 0.4542-0.1191 ( 6432 PWs) bands (ev): -22.1538 -22.1538 -22.1510 -22.1510 -7.6059 -7.6059 -7.2974 -7.2974 -6.8628 -6.8628 -6.7558 -6.7558 -6.2535 -6.2535 -6.0136 -6.0136 -5.9771 -5.9771 -5.9027 -5.9027 -5.6671 -5.6671 -4.8063 -4.8063 -4.4908 -4.4908 0.4933 0.4933 0.7422 0.7422 1.1453 1.1453 1.4799 1.4799 2.1203 2.1203 2.7233 2.7233 2.9110 2.9110 3.2727 3.2727 3.5393 3.5393 4.0245 4.0245 4.3512 4.3512 5.6913 5.6913 6.3132 6.3132 6.5314 6.5314 6.9608 6.9608 8.2760 8.2760 k = 0.5870 0.4604-0.0991 ( 6433 PWs) bands (ev): -22.1538 -22.1538 -22.1510 -22.1510 -7.5874 -7.5874 -7.2851 -7.2851 -6.8679 -6.8679 -6.7574 -6.7574 -6.2855 -6.2855 -6.0156 -6.0156 -5.9770 -5.9770 -5.9055 -5.9055 -5.6888 -5.6888 -4.7543 -4.7543 -4.5186 -4.5186 0.5316 0.5316 0.7229 0.7229 1.1150 1.1150 1.4109 1.4109 2.1957 2.1957 2.7263 2.7263 2.9257 2.9257 3.2736 3.2736 3.5676 3.5676 4.0214 4.0214 4.3334 4.3334 5.7222 5.7222 6.3118 6.3118 6.5367 6.5367 7.0000 7.0000 8.3381 8.3381 k = 0.5949 0.4666-0.0791 ( 6433 PWs) bands (ev): -22.1538 -22.1538 -22.1510 -22.1510 -7.5672 -7.5672 -7.2719 -7.2719 -6.8737 -6.8737 -6.7590 -6.7590 -6.3186 -6.3186 -6.0179 -6.0179 -5.9770 -5.9770 -5.9087 -5.9087 -5.7084 -5.7084 -4.7027 -4.7027 -4.5479 -4.5479 0.5711 0.5711 0.7061 0.7061 1.0850 1.0850 1.3436 1.3436 2.2725 2.2725 2.7220 2.7220 2.9322 2.9322 3.2846 3.2846 3.5966 3.5966 4.0198 4.0198 4.3147 4.3147 5.7517 5.7517 6.3119 6.3119 6.5429 6.5429 7.0393 7.0393 8.4046 8.4046 k = 0.6028 0.4728-0.0591 ( 6435 PWs) bands (ev): -22.1538 -22.1538 -22.1509 -22.1509 -7.5455 -7.5455 -7.2579 -7.2579 -6.8803 -6.8803 -6.7606 -6.7606 -6.3524 -6.3524 -6.0206 -6.0206 -5.9771 -5.9771 -5.9121 -5.9121 -5.7263 -5.7263 -4.6518 -4.6518 -4.5786 -4.5786 0.6084 0.6084 0.6946 0.6946 1.0558 1.0558 1.2787 1.2787 2.3491 2.3491 2.7098 2.7098 2.9354 2.9354 3.3028 3.3028 3.6243 3.6243 4.0211 4.0211 4.2951 4.2951 5.7789 5.7789 6.3142 6.3142 6.5500 6.5500 7.0782 7.0782 8.4750 8.4750 k = 0.6107 0.4790-0.0391 ( 6432 PWs) bands (ev): -22.1539 -22.1539 -22.1508 -22.1508 -7.5222 -7.5222 -7.2430 -7.2430 -6.8878 -6.8878 -6.7623 -6.7623 -6.3863 -6.3863 -6.0234 -6.0234 -5.9774 -5.9774 -5.9158 -5.9158 -5.7426 -5.7426 -4.6107 -4.6107 -4.6012 -4.6012 0.6320 0.6320 0.6992 0.6992 1.0281 1.0281 1.2170 1.2170 2.4223 2.4223 2.6920 2.6920 2.9396 2.9396 3.3241 3.3241 3.6491 3.6491 4.0265 4.0265 4.2750 4.2750 5.8027 5.8027 6.3187 6.3187 6.5582 6.5582 7.1158 7.1158 8.5486 8.5486 k = 0.6186 0.4852-0.0191 ( 6424 PWs) bands (ev): -22.1539 -22.1539 -22.1508 -22.1508 -7.4976 -7.4976 -7.2275 -7.2275 -6.8963 -6.8963 -6.7639 -6.7639 -6.4200 -6.4200 -6.0265 -6.0265 -5.9779 -5.9779 -5.9197 -5.9197 -5.7576 -5.7576 -4.6429 -4.6429 -4.5523 -4.5523 0.6311 0.6311 0.7288 0.7288 1.0027 1.0027 1.1592 1.1592 2.4839 2.4839 2.6780 2.6780 2.9466 2.9466 3.3454 3.3454 3.6700 3.6700 4.0365 4.0365 4.2548 4.2548 5.8225 5.8225 6.3256 6.3256 6.5678 6.5678 7.1515 7.1515 8.6229 8.6229 k = 0.6265 0.4914 0.0009 ( 6424 PWs) bands (ev): -22.1539 -22.1539 -22.1507 -22.1507 -7.4718 -7.4718 -7.2114 -7.2114 -6.9059 -6.9059 -6.7655 -6.7655 -6.4531 -6.4531 -6.0296 -6.0296 -5.9786 -5.9786 -5.9240 -5.9240 -5.7714 -5.7714 -4.6760 -4.6760 -4.5042 -4.5042 0.6193 0.6193 0.7669 0.7669 0.9818 0.9818 1.1066 1.1066 2.5137 2.5137 2.6894 2.6894 2.9563 2.9563 3.3643 3.3643 3.6868 3.6868 4.0503 4.0503 4.2357 4.2357 5.8375 5.8375 6.3347 6.3347 6.5792 6.5792 7.1845 7.1845 8.6807 8.6807 k = 0.6344 0.4976 0.0209 ( 6430 PWs) bands (ev): -22.1540 -22.1540 -22.1506 -22.1506 -7.4448 -7.4448 -7.1948 -7.1948 -6.9167 -6.9167 -6.7669 -6.7669 -6.4850 -6.4850 -6.0329 -6.0329 -5.9795 -5.9795 -5.9284 -5.9284 -5.7843 -5.7843 -4.7094 -4.7094 -4.4573 -4.4573 0.6041 0.6041 0.8002 0.8002 0.9686 0.9686 1.0619 1.0619 2.5021 2.5021 2.7374 2.7374 2.9679 2.9679 3.3800 3.3800 3.6999 3.6999 4.0655 4.0655 4.2194 4.2194 5.8475 5.8475 6.3454 6.3454 6.5928 6.5928 7.2139 7.2139 8.6828 8.6828 k = 0.6423 0.5038 0.0409 ( 6429 PWs) bands (ev): -22.1540 -22.1540 -22.1506 -22.1506 -7.4169 -7.4169 -7.1779 -7.1779 -6.9286 -6.9286 -6.7682 -6.7682 -6.5154 -6.5154 -6.0363 -6.0363 -5.9806 -5.9806 -5.9331 -5.9331 -5.7962 -5.7962 -4.7429 -4.7429 -4.4119 -4.4119 0.5866 0.5866 0.8182 0.8182 0.9639 0.9639 1.0336 1.0336 2.4690 2.4690 2.8023 2.8023 2.9810 2.9810 3.3923 3.3923 3.7101 3.7101 4.0775 4.0775 4.2094 4.2094 5.8526 5.8526 6.3568 6.3568 6.6093 6.6093 7.2391 7.2391 8.6726 8.6726 k = 0.6502 0.5100 0.0609 ( 6433 PWs) bands (ev): -22.1540 -22.1540 -22.1505 -22.1505 -7.3884 -7.3884 -7.1608 -7.1608 -6.9417 -6.9417 -6.7692 -6.7692 -6.5439 -6.5439 -6.0396 -6.0396 -5.9819 -5.9819 -5.9381 -5.9381 -5.8074 -5.8074 -4.7762 -4.7762 -4.3680 -4.3680 0.5671 0.5671 0.8166 0.8166 0.9512 0.9512 1.0423 1.0423 2.4284 2.4284 2.8693 2.8693 2.9959 2.9959 3.4022 3.4022 3.7179 3.7179 4.0808 4.0808 4.2099 4.2099 5.8533 5.8533 6.3678 6.3678 6.6292 6.6292 7.2594 7.2594 8.6650 8.6650 k = 0.6582 0.5162 0.0809 ( 6440 PWs) bands (ev): -22.1541 -22.1541 -22.1504 -22.1504 -7.3598 -7.3598 -7.1437 -7.1437 -6.9555 -6.9555 -6.7699 -6.7699 -6.5702 -6.5702 -6.0430 -6.0430 -5.9834 -5.9834 -5.9432 -5.9432 -5.8178 -5.8178 -4.8092 -4.8092 -4.3259 -4.3259 0.5454 0.5454 0.8020 0.8020 0.9298 0.9298 1.0821 1.0821 2.3855 2.3855 2.9290 2.9290 3.0153 3.0153 3.4113 3.4113 3.7240 3.7240 4.0733 4.0733 4.2214 4.2214 5.8501 5.8501 6.3773 6.3773 6.6531 6.6531 7.2739 7.2739 8.6615 8.6615 k = 0.6582 0.5162 0.0809 ( 6440 PWs) bands (ev): -22.1541 -22.1541 -22.1504 -22.1504 -7.3598 -7.3598 -7.1437 -7.1437 -6.9555 -6.9555 -6.7699 -6.7699 -6.5702 -6.5702 -6.0430 -6.0430 -5.9834 -5.9834 -5.9432 -5.9432 -5.8178 -5.8178 -4.8092 -4.8092 -4.3259 -4.3259 0.5454 0.5454 0.8020 0.8020 0.9298 0.9298 1.0821 1.0821 2.3855 2.3855 2.9290 2.9290 3.0153 3.0153 3.4113 3.4113 3.7240 3.7240 4.0733 4.0733 4.2214 4.2214 5.8501 5.8501 6.3773 6.3773 6.6531 6.6531 7.2739 7.2739 8.6615 8.6615 k = 0.6489 0.5089 0.0997 ( 6449 PWs) bands (ev): -22.1542 -22.1542 -22.1503 -22.1503 -7.3553 -7.3553 -7.1332 -7.1332 -6.9568 -6.9568 -6.7682 -6.7682 -6.5819 -6.5819 -6.0476 -6.0476 -5.9840 -5.9840 -5.9414 -5.9414 -5.8197 -5.8197 -4.8506 -4.8506 -4.2801 -4.2801 0.5404 0.5404 0.7961 0.7961 0.8754 0.8754 1.1593 1.1593 2.3285 2.3285 2.9436 2.9436 3.0251 3.0251 3.4073 3.4073 3.7234 3.7234 4.0604 4.0604 4.2125 4.2125 5.8710 5.8710 6.3796 6.3796 6.7214 6.7214 7.2581 7.2581 8.7230 8.7230 k = 0.6395 0.5016 0.1185 ( 6456 PWs) bands (ev): -22.1544 -22.1544 -22.1502 -22.1502 -7.3526 -7.3526 -7.1224 -7.1224 -6.9565 -6.9565 -6.7662 -6.7662 -6.5924 -6.5924 -6.0518 -6.0518 -5.9850 -5.9850 -5.9398 -5.9398 -5.8215 -5.8215 -4.8929 -4.8929 -4.2339 -4.2339 0.5335 0.5335 0.7826 0.7826 0.8273 0.8273 1.2434 1.2434 2.2704 2.2704 2.9479 2.9479 3.0434 3.0434 3.4056 3.4056 3.7263 3.7263 4.0462 4.0462 4.2059 4.2059 5.8855 5.8855 6.3687 6.3687 6.7999 6.7999 7.2353 7.2353 8.7877 8.7877 k = 0.6302 0.4943 0.1373 ( 6454 PWs) bands (ev): -22.1545 -22.1545 -22.1500 -22.1500 -7.3519 -7.3519 -7.1113 -7.1113 -6.9547 -6.9547 -6.7637 -6.7637 -6.6018 -6.6018 -6.0557 -6.0557 -5.9862 -5.9862 -5.9383 -5.9383 -5.8231 -5.8231 -4.9356 -4.9356 -4.1876 -4.1876 0.5231 0.5231 0.7489 0.7489 0.8024 0.8024 1.3308 1.3308 2.2129 2.2129 2.9453 2.9453 3.0666 3.0666 3.4062 3.4062 3.7324 3.7324 4.0312 4.0312 4.2014 4.2014 5.8955 5.8955 6.3480 6.3480 6.8793 6.8793 7.2073 7.2073 8.8551 8.8551 k = 0.6209 0.4870 0.1560 ( 6455 PWs) bands (ev): -22.1546 -22.1546 -22.1499 -22.1499 -7.3527 -7.3527 -7.1003 -7.1003 -6.9513 -6.9513 -6.7609 -6.7609 -6.6101 -6.6101 -6.0591 -6.0591 -5.9878 -5.9878 -5.9370 -5.9370 -5.8247 -5.8247 -4.9782 -4.9782 -4.1416 -4.1416 0.5067 0.5067 0.7067 0.7067 0.7929 0.7929 1.4192 1.4192 2.1575 2.1575 2.9390 2.9390 3.0907 3.0907 3.4092 3.4092 3.7414 3.7414 4.0156 4.0156 4.1991 4.1991 5.9018 5.9018 6.3188 6.3188 6.9520 6.9520 7.1782 7.1782 8.9239 8.9239 k = 0.6116 0.4797 0.1748 ( 6451 PWs) bands (ev): -22.1547 -22.1547 -22.1498 -22.1498 -7.3549 -7.3549 -7.0896 -7.0896 -6.9465 -6.9465 -6.7576 -6.7576 -6.6175 -6.6175 -6.0621 -6.0621 -5.9899 -5.9899 -5.9358 -5.9358 -5.8261 -5.8261 -5.0204 -5.0204 -4.0962 -4.0962 0.4815 0.4815 0.6713 0.6713 0.7870 0.7870 1.5070 1.5070 2.1054 2.1054 2.9312 2.9312 3.1135 3.1135 3.4148 3.4148 3.7526 3.7526 3.9996 3.9996 4.1998 4.1998 5.9044 5.9044 6.2817 6.2817 7.0076 7.0076 7.1571 7.1571 8.9907 8.9907 k = 0.6023 0.4724 0.1936 ( 6454 PWs) bands (ev): -22.1548 -22.1548 -22.1497 -22.1497 -7.3583 -7.3583 -7.0792 -7.0792 -6.9406 -6.9406 -6.7542 -6.7542 -6.6238 -6.6238 -6.0645 -6.0645 -5.9924 -5.9924 -5.9346 -5.9346 -5.8275 -5.8275 -5.0615 -5.0615 -4.0520 -4.0520 0.4463 0.4463 0.6466 0.6466 0.7825 0.7825 1.5922 1.5922 2.0580 2.0580 2.9228 2.9228 3.1340 3.1340 3.4230 3.4230 3.7653 3.7653 3.9834 3.9834 4.2043 4.2043 5.9023 5.9023 6.2376 6.2376 7.0283 7.0283 7.1625 7.1625 9.0405 9.0405 k = 0.5930 0.4651 0.2124 ( 6451 PWs) bands (ev): -22.1549 -22.1549 -22.1496 -22.1496 -7.3625 -7.3625 -7.0694 -7.0694 -6.9336 -6.9336 -6.7506 -6.7506 -6.6290 -6.6290 -6.0664 -6.0664 -5.9955 -5.9955 -5.9335 -5.9335 -5.8288 -5.8288 -5.1012 -5.1012 -4.0093 -4.0093 0.4037 0.4037 0.6314 0.6314 0.7789 0.7789 1.6718 1.6718 2.0174 2.0174 2.9145 2.9145 3.1516 3.1516 3.4339 3.4339 3.7784 3.7784 3.9671 3.9671 4.2136 4.2136 5.8922 5.8922 6.1895 6.1895 7.0163 7.0163 7.1933 7.1933 9.0416 9.0416 k = 0.5837 0.4578 0.2311 ( 6455 PWs) bands (ev): -22.1550 -22.1550 -22.1495 -22.1495 -7.3672 -7.3672 -7.0603 -7.0603 -6.9260 -6.9260 -6.7473 -6.7473 -6.6331 -6.6331 -6.0677 -6.0677 -5.9990 -5.9990 -5.9324 -5.9324 -5.8300 -5.8300 -5.1390 -5.1390 -3.9686 -3.9686 0.3572 0.3572 0.6227 0.6227 0.7760 0.7760 1.7406 1.7406 1.9880 1.9880 2.9069 2.9069 3.1659 3.1659 3.4475 3.4475 3.7905 3.7905 3.9513 3.9513 4.2289 4.2289 5.8689 5.8689 6.1434 6.1434 6.9946 6.9946 7.2281 7.2281 9.0243 9.0243 k = 0.5744 0.4505 0.2499 ( 6456 PWs) bands (ev): -22.1551 -22.1551 -22.1494 -22.1494 -7.3721 -7.3721 -7.0521 -7.0521 -6.9179 -6.9179 -6.7444 -6.7444 -6.6359 -6.6359 -6.0684 -6.0684 -6.0029 -6.0029 -5.9313 -5.9313 -5.8312 -5.8312 -5.1745 -5.1745 -3.9303 -3.9303 0.3103 0.3103 0.6179 0.6179 0.7737 0.7737 1.7881 1.7881 1.9792 1.9792 2.9001 2.9001 3.1772 3.1772 3.4634 3.4634 3.8001 3.8001 3.9365 3.9365 4.2512 4.2512 5.8256 5.8256 6.1072 6.1072 6.9738 6.9738 7.2574 7.2574 9.0086 9.0086 k = 0.5651 0.4432 0.2687 ( 6456 PWs) bands (ev): -22.1552 -22.1552 -22.1493 -22.1493 -7.3770 -7.3770 -7.0448 -7.0448 -6.9096 -6.9096 -6.7422 -6.7422 -6.6374 -6.6374 -6.0685 -6.0685 -6.0073 -6.0073 -5.9302 -5.9302 -5.8323 -5.8323 -5.2071 -5.2071 -3.8951 -3.8951 0.2652 0.2652 0.6154 0.6154 0.7719 0.7719 1.8039 1.8039 2.0003 2.0003 2.8944 2.8944 3.1857 3.1857 3.4813 3.4813 3.8056 3.8056 3.9237 3.9237 4.2813 4.2813 5.7607 5.7607 6.0849 6.0849 6.9566 6.9566 7.2796 7.2796 8.9956 8.9956 k = 0.5558 0.4359 0.2875 ( 6446 PWs) bands (ev): -22.1552 -22.1552 -22.1492 -22.1492 -7.3817 -7.3817 -7.0386 -7.0386 -6.9014 -6.9014 -6.7409 -6.7409 -6.6376 -6.6376 -6.0680 -6.0680 -6.0119 -6.0119 -5.9291 -5.9291 -5.8334 -5.8334 -5.2364 -5.2364 -3.8632 -3.8632 0.2234 0.2234 0.6144 0.6144 0.7705 0.7705 1.7965 1.7965 2.0418 2.0418 2.8899 2.8899 3.1918 3.1918 3.5006 3.5006 3.8056 3.8056 3.9141 3.9141 4.3190 4.3190 5.6793 5.6793 6.0740 6.0740 6.9435 6.9435 7.2948 7.2948 8.9850 8.9850 k = 0.5465 0.4286 0.3063 ( 6446 PWs) bands (ev): -22.1553 -22.1553 -22.1492 -22.1492 -7.3860 -7.3860 -7.0333 -7.0333 -6.8936 -6.8936 -6.7406 -6.7406 -6.6368 -6.6368 -6.0669 -6.0669 -6.0168 -6.0168 -5.9281 -5.9281 -5.8343 -5.8343 -5.2621 -5.2621 -3.8353 -3.8353 0.1863 0.1863 0.6141 0.6141 0.7695 0.7695 1.7812 1.7812 2.0874 2.0874 2.8866 2.8866 3.1961 3.1961 3.5205 3.5205 3.7999 3.7999 3.9081 3.9081 4.3637 4.3637 5.5891 5.5891 6.0700 6.0700 6.9340 6.9340 7.3044 7.3044 8.9764 8.9764 k = 0.5372 0.4213 0.3250 ( 6442 PWs) bands (ev): -22.1553 -22.1553 -22.1491 -22.1491 -7.3897 -7.3897 -7.0291 -7.0291 -6.8866 -6.8866 -6.7411 -6.7411 -6.6352 -6.6352 -6.0653 -6.0653 -6.0217 -6.0217 -5.9271 -5.9271 -5.8352 -5.8352 -5.2837 -5.2837 -3.8118 -3.8118 0.1546 0.1546 0.6142 0.6142 0.7688 0.7688 1.7653 1.7653 2.1289 2.1289 2.8844 2.8844 3.1990 3.1990 3.5403 3.5403 3.7898 3.7898 3.9050 3.9050 4.4133 4.4133 5.4973 5.4973 6.0696 6.0696 6.9276 6.9276 7.3097 7.3097 8.9696 8.9696 k = 0.5279 0.4140 0.3438 ( 6442 PWs) bands (ev): -22.1553 -22.1553 -22.1491 -22.1491 -7.3926 -7.3926 -7.0258 -7.0258 -6.8806 -6.8806 -6.7420 -6.7420 -6.6333 -6.6333 -6.0633 -6.0633 -6.0264 -6.0264 -5.9263 -5.9263 -5.8360 -5.8360 -5.3008 -5.3008 -3.7930 -3.7930 0.1292 0.1292 0.6145 0.6145 0.7683 0.7683 1.7517 1.7517 2.1629 2.1629 2.8830 2.8830 3.2008 3.2008 3.5589 3.5589 3.7774 3.7774 3.9038 3.9038 4.4643 4.4643 5.4109 5.4109 6.0707 6.0707 6.9234 6.9234 7.3121 7.3121 8.9644 8.9644 k = 0.5186 0.4068 0.3626 ( 6444 PWs) bands (ev): -22.1554 -22.1554 -22.1491 -22.1491 -7.3948 -7.3948 -7.0235 -7.0235 -6.8760 -6.8760 -6.7430 -6.7430 -6.6316 -6.6316 -6.0612 -6.0612 -6.0305 -6.0305 -5.9257 -5.9257 -5.8365 -5.8365 -5.3133 -5.3133 -3.7794 -3.7794 0.1107 0.1107 0.6148 0.6148 0.7680 0.7680 1.7415 1.7415 2.1879 2.1879 2.8823 2.8823 3.2019 3.2019 3.5747 3.5747 3.7653 3.7653 3.9035 3.9035 4.5110 4.5110 5.3376 5.3376 6.0722 6.0722 6.9209 6.9209 7.3128 7.3128 8.9607 8.9607 k = 0.5093 0.3995 0.3814 ( 6444 PWs) bands (ev): -22.1554 -22.1554 -22.1491 -22.1491 -7.3962 -7.3962 -7.0221 -7.0221 -6.8731 -6.8731 -6.7438 -6.7438 -6.6304 -6.6304 -6.0595 -6.0595 -6.0335 -6.0335 -5.9253 -5.9253 -5.8369 -5.8369 -5.3209 -5.3209 -3.7711 -3.7711 0.0994 0.0994 0.6151 0.6151 0.7678 0.7678 1.7352 1.7352 2.2032 2.2032 2.8821 2.8821 3.2025 3.2025 3.5857 3.5857 3.7563 3.7563 3.9035 3.9035 4.5452 4.5452 5.2869 5.2869 6.0734 6.0734 6.9196 6.9196 7.3129 7.3129 8.9585 8.9585 k = 0.5000 0.3922 0.4001 ( 6444 PWs) bands (ev): -22.1554 -22.1554 -22.1490 -22.1490 -7.3966 -7.3966 -7.0217 -7.0217 -6.8721 -6.8721 -6.7441 -6.7441 -6.6300 -6.6300 -6.0588 -6.0588 -6.0347 -6.0347 -5.9251 -5.9251 -5.8370 -5.8370 -5.3234 -5.3234 -3.7683 -3.7683 0.0956 0.0956 0.6152 0.6152 0.7678 0.7678 1.7331 1.7331 2.2083 2.2083 2.8820 2.8820 3.2027 3.2027 3.5897 3.5897 3.7529 3.7529 3.9035 3.9035 4.5580 4.5580 5.2686 5.2686 6.0738 6.0738 6.9192 6.9192 7.3128 7.3128 8.9578 8.9578 k = 0.5000 0.3922 0.4001 ( 6444 PWs) bands (ev): -22.1554 -22.1554 -22.1490 -22.1490 -7.3966 -7.3966 -7.0217 -7.0217 -6.8721 -6.8721 -6.7441 -6.7441 -6.6300 -6.6300 -6.0588 -6.0588 -6.0347 -6.0347 -5.9251 -5.9251 -5.8370 -5.8370 -5.3234 -5.3234 -3.7683 -3.7683 0.0956 0.0956 0.6152 0.6152 0.7678 0.7678 1.7331 1.7331 2.2083 2.2083 2.8820 2.8820 3.2027 3.2027 3.5897 3.5897 3.7529 3.7529 3.9035 3.9035 4.5580 4.5580 5.2686 5.2686 6.0738 6.0738 6.9192 6.9192 7.3128 7.3128 8.9578 8.9578 k = 0.5145 0.3736 0.4001 ( 6446 PWs) bands (ev): -22.1554 -22.1554 -22.1490 -22.1490 -7.3960 -7.3960 -7.0217 -7.0217 -6.8728 -6.8728 -6.7440 -6.7440 -6.6301 -6.6301 -6.0596 -6.0596 -6.0338 -6.0338 -5.9255 -5.9255 -5.8370 -5.8370 -5.3226 -5.3226 -3.7690 -3.7690 0.0963 0.0963 0.6158 0.6158 0.7674 0.7674 1.7349 1.7349 2.2062 2.2062 2.8789 2.8789 3.2032 3.2032 3.5866 3.5866 3.7567 3.7567 3.9068 3.9068 4.5577 4.5577 5.2679 5.2679 6.0764 6.0764 6.9164 6.9164 7.3139 7.3139 8.9556 8.9556 k = 0.5290 0.3551 0.4001 ( 6444 PWs) bands (ev): -22.1554 -22.1554 -22.1491 -22.1491 -7.3942 -7.3942 -7.0216 -7.0216 -6.8750 -6.8750 -6.7436 -6.7436 -6.6305 -6.6305 -6.0619 -6.0619 -6.0316 -6.0316 -5.9266 -5.9266 -5.8372 -5.8372 -5.3200 -5.3200 -3.7712 -3.7712 0.0983 0.0983 0.6176 0.6176 0.7663 0.7663 1.7403 1.7403 2.2000 2.2000 2.8698 2.8698 3.2047 3.2047 3.5783 3.5783 3.7672 3.7672 3.9163 3.9163 4.5571 4.5571 5.2658 5.2658 6.0843 6.0843 6.9079 6.9079 7.3172 7.3172 8.9491 8.9491 k = 0.5436 0.3366 0.4001 ( 6446 PWs) bands (ev): -22.1553 -22.1553 -22.1491 -22.1491 -7.3912 -7.3912 -7.0216 -7.0216 -6.8785 -6.8785 -6.7431 -6.7431 -6.6312 -6.6312 -6.0649 -6.0649 -6.0286 -6.0286 -5.9283 -5.9283 -5.8376 -5.8376 -5.3157 -5.3157 -3.7749 -3.7749 0.1016 0.1016 0.6206 0.6206 0.7645 0.7645 1.7489 1.7489 2.1901 2.1901 2.8554 2.8554 3.2063 3.2063 3.5672 3.5672 3.7821 3.7821 3.9317 3.9317 4.5560 4.5560 5.2624 5.2624 6.0970 6.0970 6.8941 6.8941 7.3225 7.3225 8.9388 8.9388 k = 0.5581 0.3181 0.4001 ( 6452 PWs) bands (ev): -22.1553 -22.1553 -22.1491 -22.1491 -7.3870 -7.3870 -7.0215 -7.0215 -6.8831 -6.8831 -6.7424 -6.7424 -6.6321 -6.6321 -6.0682 -6.0682 -6.0254 -6.0254 -5.9307 -5.9307 -5.8382 -5.8382 -5.3098 -5.3098 -3.7800 -3.7800 0.1061 0.1061 0.6245 0.6245 0.7623 0.7623 1.7607 1.7607 2.1772 2.1772 2.8364 2.8364 3.2075 3.2075 3.5558 3.5558 3.7997 3.7997 3.9522 3.9522 4.5548 4.5548 5.2578 5.2578 6.1141 6.1141 6.8754 6.8754 7.3298 7.3298 8.9253 8.9253 k = 0.5726 0.2996 0.4001 ( 6458 PWs) bands (ev): -22.1553 -22.1553 -22.1492 -22.1492 -7.3816 -7.3816 -7.0216 -7.0216 -6.8887 -6.8887 -6.7418 -6.7418 -6.6333 -6.6333 -6.0715 -6.0715 -6.0222 -6.0222 -5.9336 -5.9336 -5.8391 -5.8391 -5.3022 -5.3022 -3.7866 -3.7866 0.1119 0.1119 0.6290 0.6290 0.7599 0.7599 1.7751 1.7751 2.1620 2.1620 2.8138 2.8138 3.2071 3.2071 3.5458 3.5458 3.8190 3.8190 3.9768 3.9768 4.5535 4.5535 5.2520 5.2520 6.1348 6.1348 6.8524 6.8524 7.3388 7.3388 8.9097 8.9097 k = 0.5871 0.2811 0.4001 ( 6456 PWs) bands (ev): -22.1552 -22.1552 -22.1492 -22.1492 -7.3750 -7.3750 -7.0217 -7.0217 -6.8951 -6.8951 -6.7414 -6.7414 -6.6348 -6.6348 -6.0745 -6.0745 -6.0193 -6.0193 -5.9369 -5.9369 -5.8405 -5.8405 -5.2929 -5.2929 -3.7947 -3.7947 0.1189 0.1189 0.6339 0.6339 0.7573 0.7573 1.7916 1.7916 2.1457 2.1457 2.7886 2.7886 3.2046 3.2046 3.5382 3.5382 3.8392 3.8392 4.0043 4.0043 4.5525 4.5525 5.2453 5.2453 6.1581 6.1581 6.8258 6.8258 7.3495 7.3495 8.8927 8.8927 k = 0.6016 0.2626 0.4001 ( 6460 PWs) bands (ev): -22.1552 -22.1552 -22.1493 -22.1493 -7.3673 -7.3673 -7.0221 -7.0221 -6.9020 -6.9020 -6.7412 -6.7412 -6.6365 -6.6365 -6.0772 -6.0772 -6.0166 -6.0166 -5.9406 -5.9406 -5.8423 -5.8423 -5.2821 -5.2821 -3.8042 -3.8042 0.1270 0.1270 0.6389 0.6389 0.7548 0.7548 1.8095 1.8095 2.1293 2.1293 2.7618 2.7618 3.1994 3.1994 3.5336 3.5336 3.8602 3.8602 4.0337 4.0337 4.5519 4.5519 5.2378 5.2378 6.1830 6.1830 6.7963 6.7963 7.3617 7.3617 8.8754 8.8754 k = 0.6162 0.2441 0.4001 ( 6456 PWs) bands (ev): -22.1551 -22.1551 -22.1494 -22.1494 -7.3585 -7.3585 -7.0229 -7.0229 -6.9091 -6.9091 -6.7413 -6.7413 -6.6385 -6.6385 -6.0794 -6.0794 -6.0143 -6.0143 -5.9445 -5.9445 -5.8446 -5.8446 -5.2697 -5.2697 -3.8151 -3.8151 0.1362 0.1362 0.6435 0.6435 0.7525 0.7525 1.8278 1.8278 2.1142 2.1142 2.7342 2.7342 3.1917 3.1917 3.5321 3.5321 3.8818 3.8818 4.0637 4.0637 4.5522 4.5522 5.2299 5.2299 6.2080 6.2080 6.7650 6.7650 7.3752 7.3752 8.8584 8.8584 k = 0.6307 0.2256 0.4001 ( 6456 PWs) bands (ev): -22.1550 -22.1550 -22.1495 -22.1495 -7.3486 -7.3486 -7.0241 -7.0241 -6.9162 -6.9162 -6.7418 -6.7418 -6.6408 -6.6408 -6.0810 -6.0810 -6.0125 -6.0125 -5.9486 -5.9486 -5.8475 -5.8475 -5.2558 -5.2558 -3.8275 -3.8275 0.1463 0.1463 0.6477 0.6477 0.7504 0.7504 1.8456 1.8456 2.1019 2.1019 2.7069 2.7069 3.1816 3.1816 3.5333 3.5333 3.9038 3.9038 4.0933 4.0933 4.5537 4.5537 5.2219 5.2219 6.2317 6.2317 6.7330 6.7330 7.3899 7.3899 8.8426 8.8426 k = 0.6452 0.2070 0.4001 ( 6458 PWs) bands (ev): -22.1549 -22.1549 -22.1495 -22.1495 -7.3377 -7.3377 -7.0260 -7.0260 -6.9230 -6.9230 -6.7427 -6.7427 -6.6433 -6.6433 -6.0821 -6.0821 -6.0111 -6.0111 -5.9528 -5.9528 -5.8511 -5.8511 -5.2405 -5.2405 -3.8414 -3.8414 0.1573 0.1573 0.6510 0.6510 0.7483 0.7483 1.8615 1.8615 2.0937 2.0937 2.6807 2.6807 3.1698 3.1698 3.5366 3.5366 3.9261 3.9261 4.1215 4.1215 4.5567 4.5567 5.2142 5.2142 6.2523 6.2523 6.7014 6.7014 7.4057 7.4057 8.8285 8.8285 k = 0.6597 0.1885 0.4001 ( 6464 PWs) bands (ev): -22.1548 -22.1548 -22.1496 -22.1496 -7.3257 -7.3257 -7.0288 -7.0288 -6.9292 -6.9292 -6.7441 -6.7441 -6.6462 -6.6462 -6.0826 -6.0826 -6.0102 -6.0102 -5.9571 -5.9571 -5.8553 -5.8553 -5.2238 -5.2238 -3.8567 -3.8567 0.1692 0.1692 0.6537 0.6537 0.7459 0.7459 1.8747 1.8747 2.0907 2.0907 2.6567 2.6567 3.1570 3.1570 3.5414 3.5414 3.9485 3.9485 4.1473 4.1473 4.5615 4.5615 5.2072 5.2072 6.2680 6.2680 6.6716 6.6716 7.4224 7.4224 8.8166 8.8166 k = 0.6742 0.1700 0.4001 ( 6470 PWs) bands (ev): -22.1547 -22.1547 -22.1497 -22.1497 -7.3129 -7.3129 -7.0324 -7.0324 -6.9346 -6.9346 -6.7460 -6.7460 -6.6493 -6.6493 -6.0824 -6.0824 -6.0097 -6.0097 -5.9615 -5.9615 -5.8602 -5.8602 -5.2058 -5.2058 -3.8733 -3.8733 0.1817 0.1817 0.6555 0.6555 0.7431 0.7431 1.8845 1.8845 2.0932 2.0932 2.6360 2.6360 3.1440 3.1440 3.5472 3.5472 3.9707 3.9707 4.1701 4.1701 4.5681 4.5681 5.2014 5.2014 6.2773 6.2773 6.6448 6.6448 7.4399 7.4399 8.8071 8.8071 k = 0.6887 0.1515 0.4001 ( 6460 PWs) bands (ev): -22.1546 -22.1546 -22.1498 -22.1498 -7.2991 -7.2991 -7.0371 -7.0371 -6.9390 -6.9390 -6.7482 -6.7482 -6.6528 -6.6528 -6.0816 -6.0816 -6.0096 -6.0096 -5.9657 -5.9657 -5.8658 -5.8658 -5.1867 -5.1867 -3.8914 -3.8914 0.1949 0.1949 0.6564 0.6564 0.7396 0.7396 1.8912 1.8912 2.1004 2.1004 2.6194 2.6194 3.1314 3.1314 3.5534 3.5534 3.9925 3.9925 4.1892 4.1892 4.5764 4.5764 5.1973 5.1973 6.2789 6.2789 6.6219 6.6219 7.4581 7.4581 8.7999 8.7999 k = 0.7033 0.1330 0.4001 ( 6454 PWs) bands (ev): -22.1545 -22.1545 -22.1499 -22.1499 -7.2845 -7.2845 -7.0429 -7.0429 -6.9423 -6.9423 -6.7509 -6.7509 -6.6567 -6.6567 -6.0802 -6.0802 -6.0100 -6.0100 -5.9699 -5.9699 -5.8719 -5.8719 -5.1664 -5.1664 -3.9107 -3.9107 0.2085 0.2085 0.6564 0.6564 0.7353 0.7353 1.8956 1.8956 2.1110 2.1110 2.6081 2.6081 3.1201 3.1201 3.5596 3.5596 4.0137 4.0137 4.2046 4.2046 4.5860 4.5860 5.1954 5.1954 6.2727 6.2727 6.6026 6.6026 7.4769 7.4769 8.7950 8.7950 k = 0.7178 0.1145 0.4001 ( 6452 PWs) bands (ev): -22.1544 -22.1544 -22.1501 -22.1501 -7.2691 -7.2691 -7.0495 -7.0495 -6.9446 -6.9446 -6.7540 -6.7540 -6.6608 -6.6608 -6.0781 -6.0781 -6.0107 -6.0107 -5.9740 -5.9740 -5.8786 -5.8786 -5.1452 -5.1452 -3.9314 -3.9314 0.2225 0.2225 0.6548 0.6548 0.7308 0.7308 1.8984 1.8984 2.1233 2.1233 2.6028 2.6028 3.1106 3.1106 3.5655 3.5655 4.0340 4.0340 4.2162 4.2162 4.5962 4.5962 5.1960 5.1960 6.2597 6.2597 6.5860 6.5860 7.4962 7.4962 8.7917 8.7917 k = 0.7323 0.0960 0.4001 ( 6458 PWs) bands (ev): -22.1543 -22.1543 -22.1502 -22.1502 -7.2531 -7.2531 -7.0569 -7.0569 -6.9460 -6.9460 -6.7573 -6.7573 -6.6654 -6.6654 -6.0755 -6.0755 -6.0118 -6.0118 -5.9780 -5.9780 -5.8859 -5.8859 -5.1229 -5.1229 -3.9533 -3.9533 0.2366 0.2366 0.6511 0.6511 0.7269 0.7269 1.8998 1.8998 2.1362 2.1362 2.6041 2.6041 3.1037 3.1037 3.5709 3.5709 4.0530 4.0530 4.2244 4.2244 4.6064 4.6064 5.1993 5.1993 6.2417 6.2417 6.5702 6.5702 7.5159 7.5159 8.7881 8.7881 k = 0.2677-0.3413 0.7193 ( 6458 PWs) bands (ev): -22.1543 -22.1543 -22.1502 -22.1502 -7.2531 -7.2531 -7.0569 -7.0569 -6.9460 -6.9460 -6.7573 -6.7573 -6.6654 -6.6654 -6.0755 -6.0755 -6.0118 -6.0118 -5.9780 -5.9780 -5.8859 -5.8859 -5.1229 -5.1229 -3.9533 -3.9533 0.2366 0.2366 0.6511 0.6511 0.7269 0.7269 1.8998 1.8998 2.1362 2.1362 2.6041 2.6041 3.1037 3.1037 3.5709 3.5709 4.0530 4.0530 4.2244 4.2244 4.6064 4.6064 5.1993 5.1993 6.2417 6.2417 6.5702 6.5702 7.5159 7.5159 8.7881 8.7881 k = 0.2536-0.3233 0.7193 ( 6452 PWs) bands (ev): -22.1542 -22.1542 -22.1503 -22.1503 -7.2369 -7.2369 -7.0645 -7.0645 -6.9466 -6.9466 -6.7609 -6.7609 -6.6701 -6.6701 -6.0724 -6.0724 -6.0131 -6.0131 -5.9818 -5.9818 -5.8933 -5.8933 -5.1006 -5.1006 -3.9757 -3.9757 0.2504 0.2504 0.6447 0.6447 0.7246 0.7246 1.8998 1.8998 2.1489 2.1489 2.6118 2.6118 3.1000 3.1000 3.5755 3.5755 4.0699 4.0699 4.2297 4.2297 4.6156 4.6156 5.2052 5.2052 6.2215 6.2215 6.5541 6.5541 7.5354 7.5354 8.7777 8.7777 k = 0.2395-0.3054 0.7193 ( 6446 PWs) bands (ev): -22.1541 -22.1541 -22.1504 -22.1504 -7.2204 -7.2204 -7.0724 -7.0724 -6.9466 -6.9466 -6.7647 -6.7647 -6.6752 -6.6752 -6.0689 -6.0689 -6.0147 -6.0147 -5.9854 -5.9854 -5.9010 -5.9010 -5.0774 -5.0774 -3.9991 -3.9991 0.2640 0.2640 0.6352 0.6352 0.7245 0.7245 1.8980 1.8980 2.1617 2.1617 2.6254 2.6254 3.0996 3.0996 3.5796 3.5796 4.0850 4.0850 4.2327 4.2327 4.6237 4.6237 5.2133 5.2133 6.2001 6.2001 6.5358 6.5358 7.5552 7.5552 8.7475 8.7475 k = 0.2254-0.2874 0.7193 ( 6450 PWs) bands (ev): -22.1540 -22.1540 -22.1505 -22.1505 -7.2034 -7.2034 -7.0804 -7.0804 -6.9461 -6.9461 -6.7686 -6.7686 -6.6807 -6.6807 -6.0651 -6.0651 -6.0166 -6.0166 -5.9889 -5.9889 -5.9089 -5.9089 -5.0537 -5.0537 -4.0235 -4.0235 0.2773 0.2773 0.6229 0.6229 0.7267 0.7267 1.8939 1.8939 2.1747 2.1747 2.6446 2.6446 3.1029 3.1029 3.5830 3.5830 4.0978 4.0978 4.2341 4.2341 4.6306 4.6306 5.2232 5.2232 6.1790 6.1790 6.5148 6.5148 7.5753 7.5753 8.7056 8.7056 k = 0.2113-0.2695 0.7193 ( 6440 PWs) bands (ev): -22.1539 -22.1539 -22.1506 -22.1506 -7.1863 -7.1863 -7.0881 -7.0881 -6.9453 -6.9453 -6.7726 -6.7726 -6.6865 -6.6865 -6.0609 -6.0609 -6.0188 -6.0188 -5.9922 -5.9922 -5.9169 -5.9169 -5.0293 -5.0293 -4.0488 -4.0488 0.2900 0.2900 0.6085 0.6085 0.7310 0.7310 1.8874 1.8874 2.1879 2.1879 2.6686 2.6686 3.1100 3.1100 3.5859 3.5859 4.1081 4.1081 4.2344 4.2344 4.6363 4.6363 5.2341 5.2341 6.1588 6.1588 6.4909 6.4909 7.5957 7.5957 8.6584 8.6584 k = 0.1972-0.2515 0.7193 ( 6434 PWs) bands (ev): -22.1537 -22.1537 -22.1507 -22.1507 -7.1694 -7.1694 -7.0953 -7.0953 -6.9443 -6.9443 -6.7766 -6.7766 -6.6927 -6.6927 -6.0567 -6.0567 -6.0212 -6.0212 -5.9953 -5.9953 -5.9249 -5.9249 -5.0045 -5.0045 -4.0749 -4.0749 0.3018 0.3018 0.5930 0.5930 0.7369 0.7369 1.8786 1.8786 2.2012 2.2012 2.6969 2.6969 3.1208 3.1208 3.5884 3.5884 4.1154 4.1154 4.2339 4.2339 4.6412 4.6412 5.2453 5.2453 6.1398 6.1398 6.4647 6.4647 7.6163 7.6163 8.6076 8.6076 k = 0.1832-0.2335 0.7193 ( 6430 PWs) bands (ev): -22.1536 -22.1536 -22.1508 -22.1508 -7.1534 -7.1534 -7.1013 -7.1013 -6.9431 -6.9431 -6.7806 -6.7806 -6.6992 -6.6992 -6.0523 -6.0523 -6.0240 -6.0240 -5.9980 -5.9980 -5.9326 -5.9326 -4.9792 -4.9792 -4.1016 -4.1016 0.3125 0.3125 0.5773 0.5773 0.7442 0.7442 1.8677 1.8677 2.2139 2.2139 2.7291 2.7291 3.1349 3.1349 3.5906 3.5906 4.1197 4.1197 4.2333 4.2333 4.6455 4.6455 5.2560 5.2560 6.1215 6.1215 6.4376 6.4376 7.6370 7.6370 8.5541 8.5541 k = 0.1691-0.2156 0.7193 ( 6412 PWs) bands (ev): -22.1535 -22.1535 -22.1509 -22.1509 -7.1402 -7.1402 -7.1040 -7.1040 -6.9418 -6.9418 -6.7845 -6.7845 -6.7060 -6.7060 -6.0481 -6.0481 -6.0271 -6.0271 -6.0004 -6.0004 -5.9400 -5.9400 -4.9536 -4.9536 -4.1289 -4.1289 0.3215 0.3215 0.5623 0.5623 0.7523 0.7523 1.8553 1.8553 2.2255 2.2255 2.7649 2.7649 3.1518 3.1518 3.5928 3.5928 4.1206 4.1206 4.2326 4.2326 4.6497 4.6497 5.2656 5.2656 6.1028 6.1028 6.4112 6.4112 7.6578 7.6578 8.4986 8.4986 k = 0.1550-0.1976 0.7193 ( 6416 PWs) bands (ev): -22.1534 -22.1534 -22.1510 -22.1510 -7.1343 -7.1343 -7.0990 -7.0990 -6.9406 -6.9406 -6.7883 -6.7883 -6.7132 -6.7132 -6.0442 -6.0442 -6.0305 -6.0305 -6.0023 -6.0023 -5.9470 -5.9470 -4.9278 -4.9278 -4.1565 -4.1565 0.3286 0.3286 0.5488 0.5488 0.7612 0.7612 1.8420 1.8420 2.2354 2.2354 2.8038 2.8038 3.1705 3.1705 3.5951 3.5951 4.1185 4.1185 4.2323 4.2323 4.6539 4.6539 5.2736 5.2736 6.0822 6.0822 6.3879 6.3879 7.6786 7.6786 8.4422 8.4422 k = 0.1409-0.1796 0.7193 ( 6408 PWs) bands (ev): -22.1533 -22.1533 -22.1511 -22.1511 -7.1358 -7.1358 -7.0865 -7.0865 -6.9393 -6.9393 -6.7918 -6.7918 -6.7206 -6.7206 -6.0409 -6.0409 -6.0340 -6.0340 -6.0036 -6.0036 -5.9533 -5.9533 -4.9019 -4.9019 -4.1844 -4.1844 0.3334 0.3334 0.5375 0.5375 0.7704 0.7704 1.8282 1.8282 2.2434 2.2434 2.8454 2.8454 3.1900 3.1900 3.5978 3.5978 4.1136 4.1136 4.2322 4.2322 4.6584 4.6584 5.2800 5.2800 6.0580 6.0580 6.3696 6.3696 7.6992 7.6992 8.3857 8.3857 k = 0.1268-0.1617 0.7193 ( 6400 PWs) bands (ev): -22.1532 -22.1532 -22.1512 -22.1512 -7.1399 -7.1399 -7.0712 -7.0712 -6.9382 -6.9382 -6.7950 -6.7950 -6.7282 -6.7282 -6.0404 -6.0404 -6.0357 -6.0357 -6.0042 -6.0042 -5.9591 -5.9591 -4.8759 -4.8759 -4.2124 -4.2124 0.3356 0.3356 0.5289 0.5289 0.7797 0.7797 1.8145 1.8145 2.2495 2.2495 2.8890 2.8890 3.2093 3.2093 3.6010 3.6010 4.1064 4.1064 4.2323 4.2323 4.6632 4.6632 5.2847 5.2847 6.0295 6.0295 6.3579 6.3579 7.7194 7.7194 8.3302 8.3302 k = 0.1127-0.1437 0.7193 ( 6406 PWs) bands (ev): -22.1532 -22.1532 -22.1512 -22.1512 -7.1446 -7.1446 -7.0552 -7.0552 -6.9372 -6.9372 -6.7979 -6.7979 -6.7360 -6.7360 -6.0439 -6.0439 -6.0342 -6.0342 -6.0041 -6.0041 -5.9641 -5.9641 -4.8502 -4.8502 -4.2401 -4.2401 0.3353 0.3353 0.5231 0.5231 0.7889 0.7889 1.8013 1.8013 2.2536 2.2536 2.9339 2.9339 3.2272 3.2272 3.6049 3.6049 4.0975 4.0975 4.2326 4.2326 4.6682 4.6682 5.2879 5.2879 5.9969 5.9969 6.3526 6.3526 7.7390 7.7390 8.2768 8.2768 k = 0.0986-0.1257 0.7193 ( 6412 PWs) bands (ev): -22.1531 -22.1531 -22.1513 -22.1513 -7.1491 -7.1491 -7.0395 -7.0395 -6.9364 -6.9364 -6.8003 -6.8003 -6.7439 -6.7439 -6.0482 -6.0482 -6.0327 -6.0327 -6.0033 -6.0033 -5.9685 -5.9685 -4.8250 -4.8250 -4.2672 -4.2672 0.3329 0.3329 0.5199 0.5199 0.7978 0.7978 1.7888 1.7888 2.2562 2.2562 2.9791 2.9791 3.2427 3.2427 3.6096 3.6096 4.0875 4.0875 4.2330 4.2330 4.6733 4.6733 5.2899 5.2899 5.9616 5.9616 6.3528 6.3528 7.7577 7.7577 8.2265 8.2265 k = 0.0845-0.1078 0.7193 ( 6422 PWs) bands (ev): -22.1531 -22.1531 -22.1514 -22.1514 -7.1533 -7.1533 -7.0245 -7.0245 -6.9359 -6.9359 -6.8022 -6.8022 -6.7519 -6.7519 -6.0526 -6.0526 -6.0317 -6.0317 -6.0020 -6.0020 -5.9721 -5.9721 -4.8006 -4.8006 -4.2934 -4.2934 0.3290 0.3290 0.5188 0.5188 0.8060 0.8060 1.7775 1.7775 2.2574 2.2574 3.0237 3.0237 3.2549 3.2549 3.6151 3.6151 4.0771 4.0771 4.2335 4.2335 4.6783 4.6783 5.2910 5.2910 5.9256 5.9256 6.3569 6.3569 7.7752 7.7752 8.1803 8.1803 k = 0.0704-0.0898 0.7193 ( 6422 PWs) bands (ev): -22.1530 -22.1530 -22.1514 -22.1514 -7.1569 -7.1569 -7.0105 -7.0105 -6.9357 -6.9357 -6.8036 -6.8036 -6.7596 -6.7596 -6.0567 -6.0567 -6.0311 -6.0311 -6.0004 -6.0004 -5.9751 -5.9751 -4.7775 -4.7775 -4.3182 -4.3182 0.3244 0.3244 0.5192 0.5192 0.8134 0.8134 1.7676 1.7676 2.2577 2.2577 3.0667 3.0667 3.2630 3.2630 3.6211 3.6211 4.0668 4.0668 4.2339 4.2339 4.6829 4.6829 5.2915 5.2915 5.8908 5.8908 6.3632 6.3632 7.7912 7.7912 8.1391 8.1391 k = 0.0564-0.0719 0.7193 ( 6416 PWs) bands (ev): -22.1530 -22.1530 -22.1515 -22.1515 -7.1599 -7.1599 -6.9979 -6.9979 -6.9359 -6.9359 -6.8043 -6.8043 -6.7670 -6.7670 -6.0603 -6.0603 -6.0309 -6.0309 -5.9988 -5.9988 -5.9775 -5.9775 -4.7563 -4.7563 -4.3408 -4.3408 0.3197 0.3197 0.5203 0.5203 0.8198 0.8198 1.7592 1.7592 2.2574 2.2574 3.1071 3.1071 3.2664 3.2664 3.6272 3.6272 4.0573 4.0573 4.2343 4.2343 4.6870 4.6870 5.2916 5.2916 5.8594 5.8594 6.3704 6.3704 7.8052 7.8052 8.1039 8.1039 k = 0.0423-0.0539 0.7193 ( 6410 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1623 -7.1623 -6.9871 -6.9871 -6.9364 -6.9364 -6.8043 -6.8043 -6.7738 -6.7738 -6.0632 -6.0632 -6.0308 -6.0308 -5.9974 -5.9974 -5.9794 -5.9794 -4.7379 -4.7379 -4.3603 -4.3603 0.3154 0.3154 0.5217 0.5217 0.8249 0.8249 1.7525 1.7525 2.2569 2.2569 3.1441 3.1441 3.2649 3.2649 3.6329 3.6329 4.0492 4.0492 4.2347 4.2347 4.6904 4.6904 5.2916 5.2916 5.8330 5.8330 6.3771 6.3771 7.8169 7.8169 8.0754 8.0754 k = 0.0282-0.0359 0.7193 ( 6414 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1640 -7.1640 -6.9786 -6.9786 -6.9373 -6.9373 -6.8037 -6.8037 -6.7795 -6.7795 -6.0655 -6.0655 -6.0307 -6.0307 -5.9962 -5.9962 -5.9807 -5.9807 -4.7234 -4.7234 -4.3757 -4.3757 0.3121 0.3121 0.5230 0.5230 0.8287 0.8287 1.7476 1.7476 2.2563 2.2563 3.1768 3.1768 3.2582 3.2582 3.6375 3.6375 4.0429 4.0429 4.2350 4.2350 4.6929 4.6929 5.2915 5.2915 5.8131 5.8131 6.3825 6.3825 7.8257 7.8257 8.0544 8.0544 k = 0.0141-0.0180 0.7193 ( 6412 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1651 -7.1651 -6.9729 -6.9729 -6.9382 -6.9382 -6.8028 -6.8028 -6.7837 -6.7837 -6.0669 -6.0669 -6.0307 -6.0307 -5.9955 -5.9955 -5.9815 -5.9815 -4.7140 -4.7140 -4.3856 -4.3856 0.3100 0.3100 0.5239 0.5239 0.8310 0.8310 1.7447 1.7447 2.2559 2.2559 3.2046 3.2046 3.2463 3.2463 3.6406 3.6406 4.0390 4.0390 4.2352 4.2352 4.6945 4.6945 5.2915 5.2915 5.8006 5.8006 6.3860 6.3860 7.8313 7.8313 8.0415 8.0415 k = 0.0000 0.0000 0.7193 ( 6414 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1654 -7.1654 -6.9709 -6.9709 -6.9386 -6.9386 -6.8023 -6.8023 -6.7853 -6.7853 -6.0673 -6.0673 -6.0307 -6.0307 -5.9952 -5.9952 -5.9817 -5.9817 -4.7107 -4.7107 -4.3890 -4.3890 0.3093 0.3093 0.5242 0.5242 0.8318 0.8318 1.7437 1.7437 2.2558 2.2558 3.2232 3.2232 3.2330 3.2330 3.6416 3.6416 4.0376 4.0376 4.2352 4.2352 4.6950 4.6950 5.2915 5.2915 5.7964 5.7964 6.3872 6.3872 7.8332 7.8332 8.0371 8.0371 k = 0.0000 0.0000 0.7193 ( 6414 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1654 -7.1654 -6.9709 -6.9709 -6.9386 -6.9386 -6.8023 -6.8023 -6.7853 -6.7853 -6.0673 -6.0673 -6.0307 -6.0307 -5.9952 -5.9952 -5.9817 -5.9817 -4.7107 -4.7107 -4.3890 -4.3890 0.3093 0.3093 0.5242 0.5242 0.8318 0.8318 1.7437 1.7437 2.2558 2.2558 3.2232 3.2232 3.2330 3.2330 3.6416 3.6416 4.0376 4.0376 4.2352 4.2352 4.6950 4.6950 5.2915 5.2915 5.7964 5.7964 6.3872 6.3872 7.8332 7.8332 8.0371 8.0371 k = 0.0180 0.0141 0.7193 ( 6410 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1652 -7.1652 -6.9740 -6.9740 -6.9375 -6.9375 -6.8089 -6.8089 -6.7776 -6.7776 -6.0670 -6.0670 -6.0301 -6.0301 -5.9961 -5.9961 -5.9805 -5.9805 -4.7110 -4.7110 -4.3889 -4.3889 0.3101 0.3101 0.5253 0.5253 0.8325 0.8325 1.7370 1.7370 2.2605 2.2605 3.2224 3.2224 3.2324 3.2324 3.6409 3.6409 4.0345 4.0345 4.2336 4.2336 4.6938 4.6938 5.2951 5.2951 5.7983 5.7983 6.3884 6.3884 7.8300 7.8300 8.0396 8.0396 k = 0.0360 0.0282 0.7193 ( 6412 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1646 -7.1646 -6.9819 -6.9819 -6.9361 -6.9361 -6.8184 -6.8184 -6.7648 -6.7648 -6.0658 -6.0658 -6.0284 -6.0284 -5.9980 -5.9980 -5.9774 -5.9774 -4.7117 -4.7117 -4.3885 -4.3885 0.3126 0.3126 0.5284 0.5284 0.8344 0.8344 1.7178 1.7178 2.2739 2.2739 3.2200 3.2200 3.2306 3.2306 3.6386 3.6386 4.0251 4.0251 4.2290 4.2290 4.6899 4.6899 5.3055 5.3055 5.8040 5.8040 6.3920 6.3920 7.8205 7.8205 8.0470 8.0470 k = 0.0540 0.0423 0.7193 ( 6412 PWs) bands (ev): -22.1529 -22.1529 -22.1515 -22.1515 -7.1636 -7.1636 -6.9924 -6.9924 -6.9370 -6.9370 -6.8254 -6.8254 -6.7514 -6.7514 -6.0640 -6.0640 -6.0257 -6.0257 -6.0001 -6.0001 -5.9730 -5.9730 -4.7129 -4.7129 -4.3880 -4.3880 0.3166 0.3166 0.5336 0.5336 0.8377 0.8377 1.6882 1.6882 2.2937 2.2937 3.2160 3.2160 3.2276 3.2276 3.6348 3.6348 4.0099 4.0099 4.2220 4.2220 4.6830 4.6830 5.3224 5.3224 5.8138 5.8138 6.3978 6.3978 7.8051 7.8051 8.0590 8.0590 k = 0.0720 0.0564 0.7193 ( 6418 PWs) bands (ev): -22.1530 -22.1530 -22.1515 -22.1515 -7.1624 -7.1624 -7.0043 -7.0043 -6.9417 -6.9417 -6.8288 -6.8288 -6.7380 -6.7380 -6.0613 -6.0613 -6.0225 -6.0225 -6.0021 -6.0021 -5.9676 -5.9676 -4.7147 -4.7147 -4.3871 -4.3871 0.3222 0.3222 0.5409 0.5409 0.8423 0.8423 1.6508 1.6508 2.3173 2.3173 3.2104 3.2104 3.2233 3.2233 3.6295 3.6295 3.9897 3.9897 4.2135 4.2135 4.6724 4.6724 5.3448 5.3448 5.8281 5.8281 6.4058 6.4058 7.7843 7.7843 8.0752 8.0752 k = 0.0900 0.0706 0.7193 ( 6415 PWs) bands (ev): -22.1530 -22.1530 -22.1514 -22.1514 -7.1614 -7.1614 -7.0170 -7.0170 -6.9502 -6.9502 -6.8285 -6.8285 -6.7251 -6.7251 -6.0578 -6.0578 -6.0195 -6.0195 -6.0033 -6.0033 -5.9612 -5.9612 -4.7169 -4.7169 -4.3860 -4.3860 0.3293 0.3293 0.5501 0.5501 0.8481 0.8481 1.6077 1.6077 2.3425 2.3425 3.2033 3.2033 3.2177 3.2177 3.6225 3.6225 3.9656 3.9656 4.2040 4.2040 4.6579 4.6579 5.3714 5.3714 5.8473 5.8473 6.4157 6.4157 7.7588 7.7588 8.0951 8.0951 k = 0.1080 0.0847 0.7193 ( 6417 PWs) bands (ev): -22.1531 -22.1531 -22.1514 -22.1514 -7.1608 -7.1608 -7.0299 -7.0299 -6.9612 -6.9612 -6.8255 -6.8255 -6.7127 -6.7127 -6.0536 -6.0536 -6.0174 -6.0174 -6.0033 -6.0033 -5.9537 -5.9537 -4.7197 -4.7197 -4.3846 -4.3846 0.3380 0.3380 0.5613 0.5613 0.8552 0.8552 1.5607 1.5607 2.3673 2.3673 3.1946 3.1946 3.2108 3.2108 3.6139 3.6139 3.9390 3.9390 4.1938 4.1938 4.6393 4.6393 5.4012 5.4012 5.8719 5.8719 6.4273 6.4273 7.7293 7.7293 8.1183 8.1183 k = 0.1259 0.0988 0.7193 ( 6416 PWs) bands (ev): -22.1531 -22.1531 -22.1513 -22.1513 -7.1614 -7.1614 -7.0426 -7.0426 -6.9735 -6.9735 -6.8208 -6.8208 -6.7008 -6.7008 -6.0488 -6.0488 -6.0169 -6.0169 -6.0016 -6.0016 -5.9452 -5.9452 -4.7230 -4.7230 -4.3828 -4.3828 0.3480 0.3480 0.5744 0.5744 0.8635 0.8635 1.5113 1.5113 2.3904 2.3904 3.1844 3.1844 3.2026 3.2026 3.6035 3.6035 3.9114 3.9114 4.1831 4.1831 4.6169 4.6169 5.4331 5.4331 5.9020 5.9020 6.4402 6.4402 7.6965 7.6965 8.1443 8.1443 k = 0.1439 0.1129 0.7193 ( 6419 PWs) bands (ev): -22.1532 -22.1532 -22.1513 -22.1513 -7.1640 -7.1640 -7.0546 -7.0546 -6.9856 -6.9856 -6.8152 -6.8152 -6.6894 -6.6894 -6.0436 -6.0436 -6.0172 -6.0172 -5.9987 -5.9987 -5.9357 -5.9357 -4.7269 -4.7269 -4.3806 -4.3806 0.3595 0.3595 0.5892 0.5892 0.8730 0.8730 1.4603 1.4603 2.4107 2.4107 3.1725 3.1725 3.1932 3.1932 3.5913 3.5913 3.8842 3.8842 4.1719 4.1719 4.5908 4.5908 5.4661 5.4661 5.9375 5.9375 6.4542 6.4542 7.6609 7.6609 8.1727 8.1727 k = 0.1619 0.1270 0.7193 ( 6420 PWs) bands (ev): -22.1533 -22.1533 -22.1512 -22.1512 -7.1694 -7.1694 -7.0653 -7.0653 -6.9965 -6.9965 -6.8093 -6.8093 -6.6783 -6.6783 -6.0385 -6.0385 -6.0176 -6.0176 -5.9955 -5.9955 -5.9253 -5.9253 -4.7313 -4.7313 -4.3781 -4.3781 0.3722 0.3722 0.6057 0.6057 0.8836 0.8836 1.4086 1.4086 2.4274 2.4274 3.1588 3.1588 3.1824 3.1824 3.5774 3.5774 3.8585 3.8585 4.1602 4.1602 4.5616 4.5616 5.4998 5.4998 5.9781 5.9781 6.4688 6.4688 7.6234 7.6234 8.2032 8.2032 k = 0.1799 0.1411 0.7193 ( 6430 PWs) bands (ev): -22.1533 -22.1533 -22.1511 -22.1511 -7.1786 -7.1786 -7.0745 -7.0745 -7.0052 -7.0052 -6.8035 -6.8035 -6.6676 -6.6676 -6.0344 -6.0344 -6.0167 -6.0167 -5.9921 -5.9921 -5.9142 -5.9142 -4.7363 -4.7363 -4.3751 -4.3751 0.3861 0.3861 0.6236 0.6236 0.8954 0.8954 1.3568 1.3568 2.4401 2.4401 3.1434 3.1434 3.1705 3.1705 3.5619 3.5619 3.8352 3.8352 4.1483 4.1483 4.5298 4.5298 5.5339 5.5339 6.0231 6.0231 6.4837 6.4837 7.5846 7.5846 8.2357 8.2357 k = 0.1979 0.1552 0.7193 ( 6428 PWs) bands (ev): -22.1534 -22.1534 -22.1511 -22.1511 -7.1915 -7.1915 -7.0825 -7.0825 -7.0107 -7.0107 -6.7979 -6.7979 -6.6571 -6.6571 -6.0324 -6.0324 -6.0134 -6.0134 -5.9888 -5.9888 -5.9027 -5.9027 -4.7419 -4.7419 -4.3716 -4.3716 0.4012 0.4012 0.6428 0.6428 0.9084 0.9084 1.3054 1.3054 2.4486 2.4486 3.1262 3.1262 3.1572 3.1572 3.5452 3.5452 3.8146 3.8146 4.1362 4.1362 4.4958 4.4958 5.5685 5.5685 6.0714 6.0714 6.4986 6.4986 7.5452 7.5452 8.2700 8.2700 k = 0.2159 0.1693 0.7193 ( 6429 PWs) bands (ev): -22.1535 -22.1535 -22.1510 -22.1510 -7.2077 -7.2077 -7.0903 -7.0903 -7.0125 -7.0125 -6.7928 -6.7928 -6.6467 -6.6467 -6.0324 -6.0324 -6.0082 -6.0082 -5.9854 -5.9854 -5.8910 -5.8910 -4.7481 -4.7481 -4.3677 -4.3677 0.4172 0.4172 0.6631 0.6631 0.9225 0.9225 1.2547 1.2547 2.4526 2.4526 3.1072 3.1072 3.1427 3.1427 3.5278 3.5278 3.7969 3.7969 4.1243 4.1243 4.4604 4.4604 5.6034 5.6034 6.1220 6.1220 6.5131 6.5131 7.5057 7.5057 8.3065 8.3065 k = 0.2339 0.1834 0.7193 ( 6423 PWs) bands (ev): -22.1536 -22.1536 -22.1509 -22.1509 -7.2264 -7.2264 -7.0982 -7.0982 -7.0107 -7.0107 -6.7881 -6.7881 -6.6363 -6.6363 -6.0334 -6.0334 -6.0023 -6.0023 -5.9817 -5.9817 -5.8792 -5.8792 -4.7549 -4.7549 -4.3632 -4.3632 0.4342 0.4342 0.6841 0.6841 0.9378 0.9378 1.2052 1.2052 2.4524 2.4524 3.0866 3.0866 3.1269 3.1269 3.5100 3.5100 3.7818 3.7818 4.1128 4.1128 4.4241 4.4241 5.6389 5.6389 6.1733 6.1733 6.5272 6.5272 7.4669 7.4669 8.3456 8.3456 k = 0.2519 0.1976 0.7193 ( 6429 PWs) bands (ev): -22.1537 -22.1537 -22.1508 -22.1508 -7.2469 -7.2469 -7.1063 -7.1063 -7.0058 -7.0058 -6.7840 -6.7840 -6.6259 -6.6259 -6.0348 -6.0348 -5.9967 -5.9967 -5.9773 -5.9773 -5.8677 -5.8677 -4.7624 -4.7624 -4.3582 -4.3582 0.4518 0.4518 0.7055 0.7055 0.9543 0.9543 1.1574 1.1574 2.4482 2.4482 3.0645 3.0645 3.1098 3.1098 3.4923 3.4923 3.7690 3.7690 4.1022 4.1022 4.3875 4.3875 5.6748 5.6748 6.2238 6.2238 6.5409 6.5409 7.4293 7.4293 8.3878 8.3878 k = 0.2699 0.2117 0.7193 ( 6431 PWs) bands (ev): -22.1537 -22.1537 -22.1508 -22.1508 -7.2685 -7.2685 -7.1145 -7.1145 -6.9984 -6.9984 -6.7803 -6.7803 -6.6153 -6.6153 -6.0364 -6.0364 -5.9921 -5.9921 -5.9718 -5.9718 -5.8565 -5.8565 -4.7705 -4.7705 -4.3527 -4.3527 0.4701 0.4701 0.7269 0.7269 0.9715 0.9715 1.1120 1.1120 2.4405 2.4405 3.0408 3.0408 3.0916 3.0916 3.4750 3.4750 3.7581 3.7581 4.0927 4.0927 4.3511 4.3511 5.7110 5.7110 6.2715 6.2715 6.5551 6.5551 7.3934 7.3934 8.4337 8.4337 k = 0.2879 0.2258 0.7193 ( 6430 PWs) bands (ev): -22.1538 -22.1538 -22.1507 -22.1507 -7.2909 -7.2909 -7.1225 -7.1225 -6.9893 -6.9893 -6.7772 -6.7772 -6.6046 -6.6046 -6.0381 -6.0381 -5.9887 -5.9887 -5.9653 -5.9653 -5.8458 -5.8458 -4.7792 -4.7792 -4.3466 -4.3466 0.4888 0.4888 0.7478 0.7478 0.9875 0.9875 1.0714 1.0714 2.4298 2.4298 3.0155 3.0155 3.0726 3.0726 3.4583 3.4583 3.7484 3.7484 4.0848 4.0848 4.3157 4.3157 5.7471 5.7471 6.3137 6.3137 6.5711 6.5711 7.3596 7.3596 8.4838 8.4838 k = 0.3059 0.2399 0.7193 ( 6441 PWs) bands (ev): -22.1539 -22.1539 -22.1506 -22.1506 -7.3138 -7.3138 -7.1302 -7.1302 -6.9788 -6.9788 -6.7744 -6.7744 -6.5935 -6.5935 -6.0398 -6.0398 -5.9863 -5.9863 -5.9581 -5.9581 -5.8357 -5.8357 -4.7886 -4.7886 -4.3402 -4.3402 0.5077 0.5077 0.7676 0.7676 0.9908 0.9908 1.0478 1.0478 2.4166 2.4166 2.9885 2.9885 3.0532 3.0532 3.4423 3.4423 3.7398 3.7398 4.0789 4.0789 4.2818 4.2818 5.7827 5.7827 6.3471 6.3471 6.5915 6.5915 7.3284 7.3284 8.5384 8.5384 k = 0.3239 0.2540 0.7193 ( 6440 PWs) bands (ev): -22.1540 -22.1540 -22.1505 -22.1505 -7.3368 -7.3368 -7.1373 -7.1373 -6.9675 -6.9675 -6.7720 -6.7720 -6.5821 -6.5821 -6.0414 -6.0414 -5.9846 -5.9846 -5.9506 -5.9506 -5.8264 -5.8264 -4.7986 -4.7986 -4.3332 -4.3332 0.5267 0.5267 0.7858 0.7858 0.9650 0.9650 1.0576 1.0576 2.4016 2.4016 2.9597 2.9597 3.0339 3.0339 3.4267 3.4267 3.7317 3.7317 4.0750 4.0750 4.2502 4.2502 5.8173 5.8173 6.3687 6.3687 6.6186 6.6186 7.2999 7.2999 8.5977 8.5977 k = 0.3418 0.2681 0.7193 ( 6440 PWs) bands (ev): -22.1541 -22.1541 -22.1504 -22.1504 -7.3598 -7.3598 -7.1437 -7.1437 -6.9555 -6.9555 -6.7699 -6.7699 -6.5702 -6.5702 -6.0430 -6.0430 -5.9834 -5.9834 -5.9432 -5.9432 -5.8178 -5.8178 -4.8092 -4.8092 -4.3259 -4.3259 0.5454 0.5454 0.8020 0.8020 0.9298 0.9298 1.0821 1.0821 2.3855 2.3855 2.9290 2.9290 3.0153 3.0153 3.4113 3.4113 3.7240 3.7240 4.0733 4.0733 4.2214 4.2214 5.8501 5.8501 6.3773 6.3773 6.6531 6.6531 7.2739 7.2739 8.6615 8.6615 k = 0.5000 0.3922-0.3192 ( 6426 PWs) bands (ev): -22.1537 -22.1537 -22.1513 -22.1513 -7.6960 -7.6960 -7.3586 -7.3586 -6.8413 -6.8413 -6.7477 -6.7477 -6.0601 -6.0601 -6.0286 -6.0286 -5.9784 -5.9784 -5.8898 -5.8898 -5.3273 -5.3273 -5.3029 -5.3029 -4.3437 -4.3437 0.2924 0.2924 0.9234 0.9234 1.3885 1.3885 1.5506 1.5506 2.2679 2.2679 2.2812 2.2812 2.6915 2.6915 3.2628 3.2628 3.6223 3.6223 3.9897 3.9897 4.4520 4.4520 5.4899 5.4899 6.3441 6.3441 6.5142 6.5142 6.7213 6.7213 7.9641 7.9641 k = 0.5144 0.3739-0.3192 ( 6420 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6965 -7.6965 -7.3575 -7.3575 -6.8413 -6.8413 -6.7480 -6.7480 -6.0602 -6.0602 -6.0286 -6.0286 -5.9785 -5.9785 -5.8901 -5.8901 -5.3272 -5.3272 -5.3025 -5.3025 -4.3443 -4.3443 0.2924 0.2924 0.9241 0.9241 1.3846 1.3846 1.5528 1.5528 2.2656 2.2656 2.2872 2.2872 2.6925 2.6925 3.2610 3.2610 3.6217 3.6217 3.9886 3.9886 4.4492 4.4492 5.4901 5.4901 6.3468 6.3468 6.5135 6.5135 6.7236 6.7236 7.9686 7.9686 k = 0.5287 0.3556-0.3192 ( 6432 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.6980 -7.6980 -7.3542 -7.3542 -6.8414 -6.8414 -6.7487 -6.7487 -6.0606 -6.0606 -6.0287 -6.0287 -5.9788 -5.9788 -5.8910 -5.8910 -5.3271 -5.3271 -5.3011 -5.3011 -4.3459 -4.3459 0.2926 0.2926 0.9260 0.9260 1.3735 1.3735 1.5593 1.5593 2.2620 2.2620 2.3013 2.3013 2.6956 2.6956 3.2558 3.2558 3.6199 3.6199 3.9852 3.9852 4.4411 4.4411 5.4908 5.4908 6.3545 6.3545 6.5119 6.5119 6.7304 6.7304 7.9819 7.9819 k = 0.5431 0.3373-0.3192 ( 6432 PWs) bands (ev): -22.1537 -22.1537 -22.1512 -22.1512 -7.7004 -7.7004 -7.3489 -7.3489 -6.8416 -6.8416 -6.7500 -6.7500 -6.0613 -6.0613 -6.0288 -6.0288 -5.9793 -5.9793 -5.8926 -5.8926 -5.3268 -5.3268 -5.2988 -5.2988 -4.3487 -4.3487 0.2927 0.2927 0.9289 0.9289 1.3564 1.3564 1.5693 1.5693 2.2584 2.2584 2.3216 2.3216 2.7009 2.7009 3.2473 3.2473 3.6171 3.6171 3.9794 3.9794 4.4284 4.4284 5.4918 5.4918 6.3654 6.3654 6.5110 6.5110 6.7416 6.7416 8.0037 8.0037 k = 0.5574 0.3190-0.3192 ( 6442 PWs) bands (ev): -22.1538 -22.1538 -22.1512 -22.1512 -7.7036 -7.7036 -7.3416 -7.3416 -6.8418 -6.8418 -6.7518 -6.7518 -6.0622 -6.0622 -6.0291 -6.0291 -5.9799 -5.9799 -5.8947 -5.8947 -5.3266 -5.3266 -5.2956 -5.2956 -4.3525 -4.3525 0.2930 0.2930 0.9327 0.9327 1.3350 1.3350 1.5823 1.5823 2.2543 2.2543 2.3475 2.3475 2.7084 2.7084 3.2355 3.2355 3.6135 3.6135 3.9710 3.9710 4.4125 4.4125 5.4927 5.4927 6.3766 6.3766 6.5132 6.5132 6.7568 6.7568 8.0334 8.0334 k = 0.4426-0.5643 0.0000 ( 6442 PWs) bands (ev): -22.1538 -22.1538 -22.1512 -22.1512 -7.7036 -7.7036 -7.3416 -7.3416 -6.8418 -6.8418 -6.7518 -6.7518 -6.0622 -6.0622 -6.0291 -6.0291 -5.9799 -5.9799 -5.8947 -5.8947 -5.3266 -5.3266 -5.2956 -5.2956 -4.3525 -4.3525 0.2930 0.2930 0.9327 0.9327 1.3350 1.3350 1.5823 1.5823 2.2543 2.2543 2.3475 2.3475 2.7084 2.7084 3.2355 3.2355 3.6135 3.6135 3.9710 3.9710 4.4125 4.4125 5.4927 5.4927 6.3766 6.3766 6.5132 6.5132 6.7568 6.7568 8.0334 8.0334 k = 0.4283-0.5461 0.0000 ( 6434 PWs) bands (ev): -22.1538 -22.1538 -22.1511 -22.1511 -7.7074 -7.7074 -7.3326 -7.3326 -6.8421 -6.8421 -6.7539 -6.7539 -6.0633 -6.0633 -6.0295 -6.0295 -5.9806 -5.9806 -5.8974 -5.8974 -5.3263 -5.3263 -5.2916 -5.2916 -4.3573 -4.3573 0.2934 0.2934 0.9370 0.9370 1.3108 1.3108 1.5980 1.5980 2.2495 2.2495 2.3777 2.3777 2.7181 2.7181 3.2207 3.2207 3.6094 3.6094 3.9599 3.9599 4.3948 4.3948 5.4934 5.4934 6.3843 6.3843 6.5220 6.5220 6.7755 6.7755 8.0701 8.0701 k = 0.4140-0.5279 0.0000 ( 6434 PWs) bands (ev): -22.1539 -22.1539 -22.1511 -22.1511 -7.7118 -7.7118 -7.3220 -7.3220 -6.8424 -6.8424 -6.7566 -6.7566 -6.0646 -6.0646 -6.0300 -6.0300 -5.9814 -5.9814 -5.9006 -5.9006 -5.3261 -5.3261 -5.2867 -5.2867 -4.3631 -4.3631 0.2940 0.2940 0.9410 0.9410 1.2852 1.2852 1.6161 1.6161 2.2437 2.2437 2.4112 2.4112 2.7301 2.7301 3.2033 3.2033 3.6051 3.6051 3.9459 3.9459 4.3764 4.3764 5.4937 5.4937 6.3859 6.3859 6.5395 6.5395 6.7974 6.7974 8.1132 8.1132 k = 0.3998-0.5097 0.0000 ( 6430 PWs) bands (ev): -22.1539 -22.1539 -22.1510 -22.1510 -7.7167 -7.7167 -7.3099 -7.3099 -6.8427 -6.8427 -6.7596 -6.7596 -6.0661 -6.0661 -6.0307 -6.0307 -5.9822 -5.9822 -5.9043 -5.9043 -5.3261 -5.3261 -5.2810 -5.2810 -4.3698 -4.3698 0.2947 0.2947 0.9442 0.9442 1.2598 1.2598 1.6367 1.6367 2.2368 2.2368 2.4465 2.4465 2.7448 2.7448 3.1836 3.1836 3.6009 3.6009 3.9295 3.9295 4.3585 4.3585 5.4935 5.4935 6.3816 6.3816 6.5648 6.5648 6.8216 6.8216 8.1620 8.1620 k = 0.3855-0.4915 0.0000 ( 6436 PWs) bands (ev): -22.1540 -22.1540 -22.1510 -22.1510 -7.7218 -7.7218 -7.2965 -7.2965 -6.8431 -6.8431 -6.7630 -6.7630 -6.0678 -6.0678 -6.0315 -6.0315 -5.9830 -5.9830 -5.9085 -5.9085 -5.3264 -5.3264 -5.2746 -5.2746 -4.3774 -4.3774 0.2957 0.2957 0.9454 0.9454 1.2360 1.2360 1.6596 1.6596 2.2287 2.2287 2.4824 2.4824 2.7622 2.7622 3.1619 3.1619 3.5970 3.5970 3.9111 3.9111 4.3418 4.3418 5.4928 5.4928 6.3734 6.3734 6.5953 6.5953 6.8476 6.8476 8.2157 8.2157 k = 0.3712-0.4733 0.0000 ( 6438 PWs) bands (ev): -22.1541 -22.1541 -22.1509 -22.1509 -7.7271 -7.7271 -7.2820 -7.2820 -6.8435 -6.8435 -6.7668 -6.7668 -6.0695 -6.0695 -6.0326 -6.0326 -5.9837 -5.9837 -5.9130 -5.9130 -5.3269 -5.3269 -5.2674 -5.2674 -4.3858 -4.3858 0.2969 0.2969 0.9434 0.9434 1.2153 1.2153 1.6848 1.6848 2.2196 2.2196 2.5172 2.5172 2.7826 2.7826 3.1389 3.1389 3.5937 3.5937 3.8916 3.8916 4.3268 4.3268 5.4916 5.4916 6.3633 6.3633 6.6286 6.6286 6.8746 6.8746 8.2738 8.2738 k = 0.3569-0.4551 0.0000 ( 6448 PWs) bands (ev): -22.1542 -22.1542 -22.1508 -22.1508 -7.7326 -7.7326 -7.2665 -7.2665 -6.8439 -6.8439 -6.7708 -6.7708 -6.0715 -6.0715 -6.0337 -6.0337 -5.9843 -5.9843 -5.9179 -5.9179 -5.3279 -5.3279 -5.2596 -5.2596 -4.3949 -4.3949 0.2984 0.2984 0.9371 0.9371 1.1992 1.1992 1.7122 1.7122 2.2094 2.2094 2.5494 2.5494 2.8063 2.8063 3.1153 3.1153 3.5909 3.5909 3.8723 3.8723 4.3134 4.3134 5.4899 5.4899 6.3526 6.3526 6.6626 6.6626 6.9019 6.9019 8.3356 8.3356 k = 0.3427-0.4369 0.0000 ( 6442 PWs) bands (ev): -22.1543 -22.1543 -22.1507 -22.1507 -7.7380 -7.7380 -7.2503 -7.2503 -6.8443 -6.8443 -6.7751 -6.7751 -6.0735 -6.0735 -6.0350 -6.0350 -5.9848 -5.9848 -5.9230 -5.9230 -5.3293 -5.3293 -5.2510 -5.2510 -4.4047 -4.4047 0.3003 0.3003 0.9257 0.9257 1.1884 1.1884 1.7416 1.7416 2.1986 2.1986 2.5776 2.5776 2.8331 2.8331 3.0920 3.0920 3.5885 3.5885 3.8546 3.8546 4.3017 4.3017 5.4879 5.4879 6.3423 6.3423 6.6958 6.6958 6.9291 6.9291 8.4006 8.4006 k = 0.3284-0.4187 0.0000 ( 6436 PWs) bands (ev): -22.1544 -22.1544 -22.1506 -22.1506 -7.7434 -7.7434 -7.2334 -7.2334 -6.8448 -6.8448 -6.7794 -6.7794 -6.0757 -6.0757 -6.0363 -6.0363 -5.9852 -5.9852 -5.9284 -5.9284 -5.3313 -5.3313 -5.2419 -5.2419 -4.4151 -4.4151 0.3024 0.3024 0.9092 0.9092 1.1827 1.1827 1.7730 1.7730 2.1874 2.1874 2.6006 2.6006 2.8618 2.8618 3.0706 3.0706 3.5859 3.5859 3.8402 3.8402 4.2915 4.2915 5.4856 5.4856 6.3329 6.3329 6.7263 6.7263 6.9560 6.9560 8.4675 8.4675 k = 0.3141-0.4005 0.0000 ( 6440 PWs) bands (ev): -22.1545 -22.1545 -22.1505 -22.1505 -7.7488 -7.7488 -7.2161 -7.2161 -6.8452 -6.8452 -6.7838 -6.7838 -6.0780 -6.0780 -6.0376 -6.0376 -5.9854 -5.9854 -5.9340 -5.9340 -5.3339 -5.3339 -5.2322 -5.2322 -4.4260 -4.4260 0.3050 0.3050 0.8885 0.8885 1.1813 1.1813 1.8059 1.8059 2.1765 2.1765 2.6180 2.6180 2.8898 2.8898 3.0541 3.0541 3.5825 3.5825 3.8308 3.8308 4.2826 4.2826 5.4831 5.4831 6.3248 6.3248 6.7526 6.7526 6.9831 6.9831 8.4947 8.4947 k = 0.2998-0.3823 0.0000 ( 6440 PWs) bands (ev): -22.1546 -22.1546 -22.1504 -22.1504 -7.7539 -7.7539 -7.1984 -7.1984 -6.8458 -6.8458 -6.7882 -6.7882 -6.0804 -6.0804 -6.0389 -6.0389 -5.9855 -5.9855 -5.9397 -5.9397 -5.3372 -5.3372 -5.2221 -5.2221 -4.4373 -4.4373 0.3079 0.3079 0.8648 0.8648 1.1828 1.1828 1.8401 1.8401 2.1666 2.1666 2.6293 2.6293 2.9114 2.9114 3.0477 3.0477 3.5779 3.5779 3.8276 3.8276 4.2751 4.2751 5.4805 5.4805 6.3183 6.3183 6.7726 6.7726 7.0114 7.0114 8.4160 8.4160 k = 0.2855-0.3641 0.0000 ( 6444 PWs) bands (ev): -22.1547 -22.1547 -22.1503 -22.1503 -7.7589 -7.7589 -7.1805 -7.1805 -6.8465 -6.8465 -6.7922 -6.7922 -6.0830 -6.0830 -6.0402 -6.0402 -5.9856 -5.9856 -5.9455 -5.9455 -5.3412 -5.3412 -5.2115 -5.2115 -4.4490 -4.4490 0.3112 0.3112 0.8390 0.8390 1.1856 1.1856 1.8750 1.8750 2.1587 2.1587 2.6346 2.6346 2.9198 2.9198 3.0579 3.0579 3.5716 3.5716 3.8313 3.8313 4.2690 4.2690 5.4779 5.4779 6.3137 6.3137 6.7845 6.7845 7.0417 7.0417 8.3349 8.3349 k = 0.2713-0.3459 0.0000 ( 6444 PWs) bands (ev): -22.1548 -22.1548 -22.1502 -22.1502 -7.7637 -7.7637 -7.1626 -7.1626 -6.8474 -6.8474 -6.7959 -6.7959 -6.0857 -6.0857 -6.0414 -6.0414 -5.9855 -5.9855 -5.9512 -5.9512 -5.3458 -5.3458 -5.2005 -5.2005 -4.4609 -4.4609 0.3150 0.3150 0.8123 0.8123 1.1886 1.1886 1.9100 1.9100 2.1538 2.1538 2.6343 2.6343 2.9154 2.9154 3.0836 3.0836 3.5642 3.5642 3.8416 3.8416 4.2647 4.2647 5.4752 5.4752 6.3109 6.3109 6.7873 6.7873 7.0749 7.0749 8.2553 8.2553 k = 0.2570-0.3277 0.0000 ( 6436 PWs) bands (ev): -22.1550 -22.1550 -22.1500 -22.1500 -7.7683 -7.7683 -7.1448 -7.1448 -6.8488 -6.8488 -6.7988 -6.7988 -6.0885 -6.0885 -6.0426 -6.0426 -5.9854 -5.9854 -5.9567 -5.9567 -5.3512 -5.3512 -5.1892 -5.1892 -4.4730 -4.4730 0.3191 0.3191 0.7852 0.7852 1.1907 1.1907 1.9438 1.9438 2.1536 2.1536 2.6285 2.6285 2.9047 2.9047 3.1174 3.1174 3.5563 3.5563 3.8573 3.8573 4.2629 4.2629 5.4726 5.4726 6.3101 6.3101 6.7807 6.7807 7.1110 7.1110 8.1780 8.1780 k = 0.2427-0.3095 0.0000 ( 6428 PWs) bands (ev): -22.1551 -22.1551 -22.1499 -22.1499 -7.7727 -7.7727 -7.1272 -7.1272 -6.8507 -6.8507 -6.8008 -6.8008 -6.0914 -6.0914 -6.0436 -6.0436 -5.9853 -5.9853 -5.9620 -5.9620 -5.3572 -5.3572 -5.1777 -5.1777 -4.4853 -4.4853 0.3236 0.3236 0.7582 0.7582 1.1912 1.1912 1.9751 1.9751 2.1599 2.1599 2.6180 2.6180 2.8924 2.8924 3.1536 3.1536 3.5494 3.5494 3.8765 3.8765 4.2646 4.2646 5.4699 5.4699 6.3113 6.3113 6.7651 6.7651 7.1497 7.1497 8.1033 8.1033 k = 0.2284-0.2913 0.0000 ( 6424 PWs) bands (ev): -22.1552 -22.1552 -22.1498 -22.1498 -7.7768 -7.7768 -7.1101 -7.1101 -6.8532 -6.8532 -6.8018 -6.8018 -6.0945 -6.0945 -6.0446 -6.0446 -5.9853 -5.9853 -5.9669 -5.9669 -5.3639 -5.3639 -5.1660 -5.1660 -4.4975 -4.4975 0.3285 0.3285 0.7318 0.7318 1.1894 1.1894 2.0025 2.0025 2.1742 2.1742 2.6035 2.6035 2.8801 2.8801 3.1889 3.1889 3.5446 3.5446 3.8967 3.8967 4.2714 4.2714 5.4674 5.4674 6.3144 6.3144 6.7413 6.7413 7.1903 7.1903 8.0316 8.0316 k = 0.2142-0.2731 0.0000 ( 6426 PWs) bands (ev): -22.1553 -22.1553 -22.1497 -22.1497 -7.7806 -7.7806 -7.0935 -7.0935 -6.8565 -6.8565 -6.8014 -6.8014 -6.0978 -6.0978 -6.0456 -6.0456 -5.9856 -5.9856 -5.9711 -5.9711 -5.3712 -5.3712 -5.1543 -5.1543 -4.5097 -4.5097 0.3338 0.3338 0.7061 0.7061 1.1853 1.1853 2.0252 2.0252 2.1972 2.1972 2.5861 2.5861 2.8685 2.8685 3.2212 3.2212 3.5433 3.5433 3.9154 3.9154 4.2849 4.2849 5.4649 5.4649 6.3192 6.3192 6.7104 6.7104 7.2321 7.2321 7.9632 7.9632 k = 0.1999-0.2548 0.0000 ( 6424 PWs) bands (ev): -22.1554 -22.1554 -22.1496 -22.1496 -7.7842 -7.7842 -7.0776 -7.0776 -6.8604 -6.8604 -6.7999 -6.7999 -6.1011 -6.1011 -6.0466 -6.0466 -5.9865 -5.9865 -5.9741 -5.9741 -5.3789 -5.3789 -5.1426 -5.1426 -4.5217 -4.5217 0.3395 0.3395 0.6815 0.6815 1.1786 1.1786 2.0443 2.0443 2.2277 2.2277 2.5666 2.5666 2.8575 2.8575 3.2488 3.2488 3.5468 3.5468 3.9298 3.9298 4.3068 4.3068 5.4625 5.4625 6.3255 6.3255 6.6736 6.6736 7.2744 7.2744 7.8982 7.8982 k = 0.1856-0.2366 0.0000 ( 6424 PWs) bands (ev): -22.1555 -22.1555 -22.1495 -22.1495 -7.7875 -7.7875 -7.0625 -7.0625 -6.8649 -6.8649 -6.7971 -6.7971 -6.1046 -6.1046 -6.0476 -6.0476 -5.9884 -5.9884 -5.9756 -5.9756 -5.3871 -5.3871 -5.1310 -5.1310 -4.5335 -4.5335 0.3455 0.3455 0.6578 0.6578 1.1695 1.1695 2.0613 2.0613 2.2636 2.2636 2.5462 2.5462 2.8469 2.8469 3.2706 3.2706 3.5558 3.5558 3.9385 3.9385 4.3380 4.3380 5.4601 5.4601 6.3329 6.3329 6.6322 6.6322 7.3167 7.3167 7.8368 7.8368 k = 0.1713-0.2184 0.0000 ( 6428 PWs) bands (ev): -22.1556 -22.1556 -22.1494 -22.1494 -7.7906 -7.7906 -7.0482 -7.0482 -6.8698 -6.8698 -6.7933 -6.7933 -6.1082 -6.1082 -6.0486 -6.0486 -5.9910 -5.9910 -5.9758 -5.9758 -5.3956 -5.3956 -5.1196 -5.1196 -4.5449 -4.5449 0.3518 0.3518 0.6353 0.6353 1.1584 1.1584 2.0778 2.0778 2.3024 2.3024 2.5260 2.5260 2.8364 2.8364 3.2864 3.2864 3.5702 3.5702 3.9408 3.9408 4.3784 4.3784 5.4579 5.4579 6.3403 6.3403 6.5880 6.5880 7.3584 7.3584 7.7792 7.7792 k = 0.1570-0.2002 0.0000 ( 6432 PWs) bands (ev): -22.1557 -22.1557 -22.1493 -22.1493 -7.7935 -7.7935 -7.0350 -7.0350 -6.8751 -6.8751 -6.7886 -6.7886 -6.1118 -6.1118 -6.0496 -6.0496 -5.9938 -5.9938 -5.9752 -5.9752 -5.4042 -5.4042 -5.1086 -5.1086 -4.5560 -4.5560 0.3583 0.3583 0.6140 0.6140 1.1457 1.1457 2.0944 2.0944 2.3417 2.3417 2.5072 2.5072 2.8259 2.8259 3.2969 3.2969 3.5892 3.5892 3.9373 3.9373 4.4266 4.4266 5.4558 5.4558 6.3458 6.3458 6.5438 6.5438 7.3987 7.3987 7.7253 7.7253 k = 0.1428-0.1820 0.0000 ( 6432 PWs) bands (ev): -22.1558 -22.1558 -22.1492 -22.1492 -7.7960 -7.7960 -7.0227 -7.0227 -6.8805 -6.8805 -6.7832 -6.7832 -6.1156 -6.1156 -6.0507 -6.0507 -5.9964 -5.9964 -5.9741 -5.9741 -5.4129 -5.4129 -5.0979 -5.0979 -4.5665 -4.5665 0.3652 0.3652 0.5939 0.5939 1.1320 1.1320 2.1116 2.1116 2.3786 2.3786 2.4925 2.4925 2.8151 2.8151 3.3034 3.3034 3.6112 3.6112 3.9289 3.9289 4.4811 4.4811 5.4538 5.4538 6.3448 6.3448 6.5050 6.5050 7.4373 7.4373 7.6755 7.6755 k = 0.1285-0.1638 0.0000 ( 6440 PWs) bands (ev): -22.1559 -22.1559 -22.1491 -22.1491 -7.7984 -7.7984 -7.0114 -7.0114 -6.8861 -6.8861 -6.7773 -6.7773 -6.1193 -6.1193 -6.0518 -6.0518 -5.9987 -5.9987 -5.9728 -5.9728 -5.4215 -5.4215 -5.0877 -5.0877 -4.5765 -4.5765 0.3723 0.3723 0.5749 0.5749 1.1176 1.1176 2.1291 2.1291 2.4059 2.4059 2.4883 2.4883 2.8041 2.8041 3.3071 3.3071 3.6348 3.6348 3.9169 3.9169 4.5399 4.5399 5.4519 5.4519 6.3294 6.3294 6.4800 6.4800 7.4732 7.4732 7.6298 7.6298 k = 0.1142-0.1456 0.0000 ( 6441 PWs) bands (ev): -22.1560 -22.1560 -22.1490 -22.1490 -7.8005 -7.8005 -7.0011 -7.0011 -6.8918 -6.8918 -6.7711 -6.7711 -6.1230 -6.1230 -6.0529 -6.0529 -6.0007 -6.0007 -5.9713 -5.9713 -5.4298 -5.4298 -5.0782 -5.0782 -4.5858 -4.5858 0.3797 0.3797 0.5572 0.5572 1.1033 1.1033 2.1465 2.1465 2.4141 2.4141 2.5038 2.5038 2.7929 2.7929 3.3093 3.3093 3.6585 3.6585 3.9024 3.9024 4.6014 4.6014 5.4502 5.4502 6.2957 6.2957 6.4735 6.4735 7.5050 7.5050 7.5894 7.5894 k = 0.0999-0.1274 0.0000 ( 6433 PWs) bands (ev): -22.1561 -22.1561 -22.1489 -22.1489 -7.8023 -7.8023 -6.9916 -6.9916 -6.8975 -6.8975 -6.7649 -6.7649 -6.1265 -6.1265 -6.0539 -6.0539 -6.0023 -6.0023 -5.9698 -5.9698 -5.4376 -5.4376 -5.0694 -5.0694 -4.5943 -4.5943 0.3874 0.3874 0.5405 0.5405 1.0894 1.0894 2.1633 2.1633 2.4086 2.4086 2.5330 2.5330 2.7817 2.7817 3.3107 3.3107 3.6814 3.6814 3.8862 3.8862 4.6638 4.6638 5.4486 5.4486 6.2498 6.2498 6.4801 6.4801 7.5236 7.5236 7.5628 7.5628 k = 0.0857-0.1092 0.0000 ( 6433 PWs) bands (ev): -22.1561 -22.1561 -22.1489 -22.1489 -7.8039 -7.8039 -6.9829 -6.9829 -6.9032 -6.9032 -6.7589 -6.7589 -6.1298 -6.1298 -6.0548 -6.0548 -6.0037 -6.0037 -5.9682 -5.9682 -5.4449 -5.4449 -5.0614 -5.0614 -4.6020 -4.6020 0.3952 0.3952 0.5249 0.5249 1.0765 1.0765 2.1790 2.1790 2.3998 2.3998 2.5651 2.5651 2.7706 2.7706 3.3118 3.3118 3.7026 3.7026 3.8692 3.8692 4.7252 4.7252 5.4473 5.4473 6.1992 6.1992 6.4930 6.4930 7.5045 7.5045 7.5744 7.5744 k = 0.0714-0.0910 0.0000 ( 6433 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.8052 -7.8052 -6.9749 -6.9749 -6.9089 -6.9089 -6.7533 -6.7533 -6.1328 -6.1328 -6.0557 -6.0557 -6.0048 -6.0048 -5.9667 -5.9667 -5.4513 -5.4513 -5.0545 -5.0545 -4.6087 -4.6087 0.4034 0.4034 0.5103 0.5103 1.0649 1.0649 2.1928 2.1928 2.3915 2.3915 2.5957 2.5957 2.7598 2.7598 3.3130 3.3130 3.7217 3.7217 3.8523 3.8523 4.7838 4.7838 5.4461 5.4461 6.1484 6.1484 6.5083 6.5083 7.4759 7.4759 7.5957 7.5957 k = 0.0571-0.0728 0.0000 ( 6435 PWs) bands (ev): -22.1563 -22.1563 -22.1488 -22.1488 -7.8063 -7.8063 -6.9675 -6.9675 -6.9145 -6.9145 -6.7484 -6.7484 -6.1355 -6.1355 -6.0563 -6.0563 -6.0056 -6.0056 -5.9654 -5.9654 -5.4569 -5.4569 -5.0486 -5.0486 -4.6143 -4.6143 0.4119 0.4119 0.4966 0.4966 1.0549 1.0549 2.2042 2.2042 2.3851 2.3851 2.6230 2.6230 2.7498 2.7498 3.3142 3.3142 3.7384 3.7384 3.8362 3.8362 4.8374 4.8374 5.4452 5.4452 6.1009 6.1009 6.5239 6.5239 7.4496 7.4496 7.6149 7.6149 k = 0.0428-0.0546 0.0000 ( 6447 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8072 -7.8072 -6.9608 -6.9608 -6.9200 -6.9200 -6.7443 -6.7443 -6.1376 -6.1376 -6.0569 -6.0569 -6.0062 -6.0062 -5.9642 -5.9642 -5.4613 -5.4613 -5.0439 -5.0439 -4.6187 -4.6187 0.4207 0.4207 0.4838 0.4838 1.0469 1.0469 2.2130 2.2130 2.3808 2.3808 2.6458 2.6458 2.7408 2.7408 3.3154 3.3154 3.7527 3.7527 3.8216 3.8216 4.8834 4.8834 5.4444 5.4444 6.0595 6.0595 6.5380 6.5380 7.4275 7.4275 7.6308 7.6308 k = 0.0286-0.0364 0.0000 ( 6445 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8078 -7.8078 -6.9547 -6.9547 -6.9252 -6.9252 -6.7413 -6.7413 -6.1392 -6.1392 -6.0573 -6.0573 -6.0067 -6.0067 -5.9634 -5.9634 -5.4646 -5.4646 -5.0405 -5.0405 -4.6220 -4.6220 0.4299 0.4299 0.4718 0.4718 1.0411 1.0411 2.2191 2.2191 2.3782 2.3782 2.6633 2.6633 2.7333 2.7333 3.3165 3.3165 3.7645 3.7645 3.8089 3.8089 4.9190 4.9190 5.4439 5.4439 6.0271 6.0271 6.5492 6.5492 7.4108 7.4108 7.6430 7.6430 k = 0.0143-0.0182 0.0000 ( 6445 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8081 -7.8081 -6.9497 -6.9497 -6.9297 -6.9297 -6.7394 -6.7394 -6.1402 -6.1402 -6.0576 -6.0576 -6.0069 -6.0069 -5.9628 -5.9628 -5.4666 -5.4666 -5.0384 -5.0384 -4.6240 -4.6240 0.4394 0.4394 0.4605 0.4605 1.0375 1.0375 2.2227 2.2227 2.3770 2.3770 2.6748 2.6748 2.7279 2.7279 3.3173 3.3173 3.7740 3.7740 3.7986 3.7986 4.9418 4.9418 5.4436 5.4436 6.0062 6.0062 6.5565 6.5565 7.4002 7.4002 7.6514 7.6514 k = 0.0000 0.0000 0.0000 ( 6439 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8082 -7.8082 -6.9475 -6.9475 -6.9318 -6.9318 -6.7388 -6.7388 -6.1405 -6.1405 -6.0576 -6.0576 -6.0070 -6.0070 -5.9627 -5.9627 -5.4673 -5.4673 -5.0377 -5.0377 -4.6246 -4.6246 0.4480 0.4480 0.4514 0.4514 1.0363 1.0363 2.2238 2.2238 2.3766 2.3766 2.6789 2.6789 2.7258 2.7258 3.3175 3.3175 3.7790 3.7790 3.7933 3.7933 4.9496 4.9496 5.4435 5.4435 5.9990 5.9990 6.5591 6.5591 7.3966 7.3966 7.6545 7.6545 k = 0.0000 0.0000 0.0000 ( 6439 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8082 -7.8082 -6.9475 -6.9475 -6.9318 -6.9318 -6.7388 -6.7388 -6.1405 -6.1405 -6.0576 -6.0576 -6.0070 -6.0070 -5.9627 -5.9627 -5.4673 -5.4673 -5.0377 -5.0377 -4.6246 -4.6246 0.4480 0.4480 0.4514 0.4514 1.0363 1.0363 2.2238 2.2238 2.3766 2.3766 2.6789 2.6789 2.7258 2.7258 3.3175 3.3175 3.7790 3.7790 3.7933 3.7933 4.9496 4.9496 5.4435 5.4435 5.9990 5.9990 6.5591 6.5591 7.3966 7.3966 7.6545 7.6545 k = 0.0217-0.0053-0.0069 ( 6442 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8081 -7.8081 -6.9507 -6.9507 -6.9293 -6.9293 -6.7392 -6.7392 -6.1399 -6.1399 -6.0576 -6.0576 -6.0068 -6.0068 -5.9627 -5.9627 -5.4670 -5.4670 -5.0374 -5.0374 -4.6249 -4.6249 0.4416 0.4416 0.4592 0.4592 1.0376 1.0376 2.2219 2.2219 2.3765 2.3765 2.6712 2.6712 2.7319 2.7319 3.3173 3.3173 3.7731 3.7731 3.7965 3.7965 4.9443 4.9443 5.4474 5.4474 6.0033 6.0033 6.5578 6.5578 7.4001 7.4001 7.6484 7.6484 k = 0.0435-0.0107-0.0139 ( 6441 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8075 -7.8075 -6.9575 -6.9575 -6.9245 -6.9245 -6.7403 -6.7403 -6.1383 -6.1383 -6.0575 -6.0575 -6.0064 -6.0064 -5.9629 -5.9629 -5.4659 -5.4659 -5.0365 -5.0365 -4.6259 -4.6259 0.4351 0.4351 0.4701 0.4701 1.0415 1.0415 2.2161 2.2161 2.3762 2.3762 2.6547 2.6547 2.7437 2.7437 3.3166 3.3166 3.7596 3.7596 3.8020 3.8020 4.9287 4.9287 5.4590 5.4590 6.0156 6.0156 6.5544 6.5544 7.4104 7.4104 7.6361 7.6361 k = 0.0652-0.0160-0.0208 ( 6435 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8066 -7.8066 -6.9659 -6.9659 -6.9194 -6.9194 -6.7422 -6.7422 -6.1356 -6.1356 -6.0573 -6.0573 -6.0057 -6.0057 -5.9631 -5.9631 -5.4641 -5.4641 -5.0349 -5.0349 -4.6274 -4.6274 0.4295 0.4295 0.4828 0.4828 1.0479 1.0479 2.2061 2.2061 2.3757 2.3757 2.6360 2.6360 2.7552 2.7552 3.3154 3.3154 3.7408 3.7408 3.8078 3.8078 4.9034 4.9034 5.4779 5.4779 6.0355 6.0355 6.5491 6.5491 7.4263 7.4263 7.6238 7.6238 k = 0.0870-0.0213-0.0278 ( 6441 PWs) bands (ev): -22.1563 -22.1563 -22.1488 -22.1488 -7.8053 -7.8053 -6.9754 -6.9754 -6.9145 -6.9145 -6.7447 -6.7447 -6.1322 -6.1322 -6.0568 -6.0568 -6.0048 -6.0048 -5.9633 -5.9633 -5.4616 -5.4616 -5.0327 -5.0327 -4.6296 -4.6296 0.4249 0.4249 0.4974 0.4974 1.0568 1.0568 2.1916 2.1916 2.3748 2.3748 2.6176 2.6176 2.7646 2.7646 3.3138 3.3138 3.7171 3.7171 3.8138 3.8138 4.8695 4.8695 5.5036 5.5036 6.0618 6.0618 6.5427 6.5427 7.4453 7.4453 7.6144 7.6144 k = 0.1087-0.0267-0.0347 ( 6440 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.8036 -7.8036 -6.9857 -6.9857 -6.9099 -6.9099 -6.7478 -6.7478 -6.1283 -6.1283 -6.0559 -6.0559 -6.0039 -6.0039 -5.9636 -5.9636 -5.4584 -5.4584 -5.0298 -5.0298 -4.6325 -4.6325 0.4210 0.4210 0.5141 0.5141 1.0679 1.0679 2.1725 2.1725 2.3735 2.3735 2.6011 2.6011 2.7711 2.7711 3.3115 3.3115 3.6896 3.6896 3.8198 3.8198 4.8284 4.8284 5.5353 5.5353 6.0936 6.0936 6.5358 6.5358 7.4633 7.4633 7.6114 7.6114 k = 0.1304-0.0320-0.0416 ( 6438 PWs) bands (ev): -22.1562 -22.1562 -22.1489 -22.1489 -7.8017 -7.8017 -6.9966 -6.9966 -6.9055 -6.9055 -6.7513 -6.7513 -6.1242 -6.1242 -6.0547 -6.0547 -6.0030 -6.0030 -5.9638 -5.9638 -5.4545 -5.4545 -5.0262 -5.0262 -4.6360 -4.6360 0.4178 0.4178 0.5329 0.5329 1.0813 1.0813 2.1485 2.1485 2.3716 2.3716 2.5875 2.5875 2.7748 2.7748 3.3082 3.3082 3.6593 3.6593 3.8253 3.8253 4.7814 4.7814 5.5723 5.5723 6.1295 6.1295 6.5293 6.5293 7.4743 7.4743 7.6198 7.6198 k = 0.1522-0.0373-0.0486 ( 6428 PWs) bands (ev): -22.1561 -22.1561 -22.1489 -22.1489 -7.7994 -7.7994 -7.0082 -7.0082 -6.9014 -6.9014 -6.7552 -6.7552 -6.1201 -6.1201 -6.0529 -6.0529 -6.0022 -6.0022 -5.9639 -5.9639 -5.4499 -5.4499 -5.0220 -5.0220 -4.6402 -4.6402 0.4150 0.4150 0.5539 0.5539 1.0966 1.0966 2.1199 2.1199 2.3690 2.3690 2.5775 2.5775 2.7758 2.7758 3.3035 3.3035 3.6280 3.6280 3.8299 3.8299 4.7297 4.7297 5.6135 5.6135 6.1687 6.1687 6.5240 6.5240 7.4741 7.4741 7.6428 7.6428 k = 0.1739-0.0427-0.0555 ( 6428 PWs) bands (ev): -22.1560 -22.1560 -22.1490 -22.1490 -7.7969 -7.7969 -7.0202 -7.0202 -6.8975 -6.8975 -6.7594 -6.7594 -6.1163 -6.1163 -6.0506 -6.0506 -6.0016 -6.0016 -5.9638 -5.9638 -5.4447 -5.4447 -5.0169 -5.0169 -4.6452 -4.6452 0.4126 0.4126 0.5772 0.5772 1.1135 1.1135 2.0870 2.0870 2.3655 2.3655 2.5712 2.5712 2.7743 2.7743 3.2963 3.2963 3.5974 3.5974 3.8329 3.8329 4.6747 4.6747 5.6583 5.6583 6.2103 6.2103 6.5205 6.5205 7.4640 7.4640 7.6782 7.6782 k = 0.1957-0.0480-0.0625 ( 6429 PWs) bands (ev): -22.1559 -22.1559 -22.1491 -22.1491 -7.7942 -7.7942 -7.0325 -7.0325 -6.8937 -6.8937 -6.7637 -6.7637 -6.1129 -6.1129 -6.0480 -6.0480 -6.0011 -6.0011 -5.9635 -5.9635 -5.4389 -5.4389 -5.0112 -5.0112 -4.6509 -4.6509 0.4104 0.4104 0.6027 0.6027 1.1318 1.1318 2.0505 2.0505 2.3611 2.3611 2.5684 2.5684 2.7710 2.7710 3.2856 3.2856 3.5697 3.5697 3.8338 3.8338 4.6173 4.6173 5.7057 5.7057 6.2532 6.2532 6.5194 6.5194 7.4474 7.4474 7.7220 7.7220 k = 0.2174-0.0533-0.0694 ( 6429 PWs) bands (ev): -22.1559 -22.1559 -22.1491 -22.1491 -7.7913 -7.7913 -7.0450 -7.0450 -6.8900 -6.8900 -6.7683 -6.7683 -6.1098 -6.1098 -6.0454 -6.0454 -6.0006 -6.0006 -5.9631 -5.9631 -5.4326 -5.4326 -5.0047 -5.0047 -4.6574 -4.6574 0.4085 0.4085 0.6305 0.6305 1.1510 1.1510 2.0112 2.0112 2.3560 2.3560 2.5686 2.5686 2.7663 2.7663 3.2701 3.2701 3.5470 3.5470 3.8324 3.8324 4.5587 4.5587 5.7550 5.7550 6.2967 6.2967 6.5210 6.5210 7.4266 7.4266 7.7718 7.7718 k = 0.2391-0.0587-0.0763 ( 6428 PWs) bands (ev): -22.1558 -22.1558 -22.1492 -22.1492 -7.7882 -7.7882 -7.0575 -7.0575 -6.8863 -6.8863 -6.7729 -6.7729 -6.1072 -6.1072 -6.0431 -6.0431 -5.9999 -5.9999 -5.9624 -5.9624 -5.4258 -5.4258 -4.9975 -4.9975 -4.6646 -4.6646 0.4067 0.4067 0.6605 0.6605 1.1707 1.1707 1.9698 1.9698 2.3504 2.3504 2.5712 2.5712 2.7610 2.7610 3.2490 3.2490 3.5307 3.5307 3.8281 3.8281 4.4998 4.4998 5.8056 5.8056 6.3399 6.3399 6.5259 6.5259 7.4030 7.4030 7.8259 7.8259 k = 0.2609-0.0640-0.0833 ( 6427 PWs) bands (ev): -22.1557 -22.1557 -22.1493 -22.1493 -7.7851 -7.7851 -7.0698 -7.0698 -6.8827 -6.8827 -6.7776 -6.7776 -6.1048 -6.1048 -6.0414 -6.0414 -5.9989 -5.9989 -5.9617 -5.9617 -5.4188 -5.4188 -4.9895 -4.9895 -4.6726 -4.6726 0.4050 0.4050 0.6927 0.6927 1.1901 1.1901 1.9273 1.9273 2.3443 2.3443 2.5752 2.5752 2.7559 2.7559 3.2226 3.2226 3.5213 3.5213 3.8210 3.8210 4.4415 4.4415 5.8568 5.8568 6.3818 6.3818 6.5342 6.5342 7.3774 7.3774 7.8837 7.8837 k = 0.2826-0.0693-0.0902 ( 6433 PWs) bands (ev): -22.1556 -22.1556 -22.1494 -22.1494 -7.7819 -7.7819 -7.0817 -7.0817 -6.8790 -6.8790 -6.7824 -6.7824 -6.1025 -6.1025 -6.0408 -6.0408 -5.9973 -5.9973 -5.9609 -5.9609 -5.4116 -5.4116 -4.9809 -4.9809 -4.6812 -4.6812 0.4034 0.4034 0.7269 0.7269 1.2087 1.2087 1.8844 1.8844 2.3382 2.3382 2.5798 2.5798 2.7517 2.7517 3.1919 3.1919 3.5182 3.5182 3.8109 3.8109 4.3848 4.3848 5.9079 5.9079 6.4214 6.4214 6.5459 6.5459 7.3506 7.3506 7.9448 7.9448 k = 0.3043-0.0747-0.0971 ( 6435 PWs) bands (ev): -22.1555 -22.1555 -22.1495 -22.1495 -7.7787 -7.7787 -7.0931 -7.0931 -6.8752 -6.8752 -6.7872 -6.7872 -6.1003 -6.1003 -6.0413 -6.0413 -5.9951 -5.9951 -5.9602 -5.9602 -5.4043 -5.4043 -4.9716 -4.9716 -4.6905 -4.6905 0.4019 0.4019 0.7631 0.7631 1.2254 1.2254 1.8422 1.8422 2.3322 2.3322 2.5840 2.5840 2.7495 2.7495 3.1584 3.1584 3.5204 3.5204 3.7981 3.7981 4.3303 4.3303 5.9584 5.9584 6.4574 6.4574 6.5612 6.5612 7.3232 7.3232 8.0088 8.0088 k = 0.3261-0.0800-0.1041 ( 6435 PWs) bands (ev): -22.1554 -22.1554 -22.1496 -22.1496 -7.7757 -7.7757 -7.1039 -7.1039 -6.8715 -6.8715 -6.7919 -6.7919 -6.0980 -6.0980 -6.0429 -6.0429 -5.9924 -5.9924 -5.9595 -5.9595 -5.3973 -5.3973 -4.9619 -4.9619 -4.7003 -4.7003 0.4005 0.4005 0.8009 0.8009 1.2393 1.2393 1.8015 1.8015 2.3265 2.3265 2.5871 2.5871 2.7499 2.7499 3.1237 3.1237 3.5267 3.5267 3.7829 3.7829 4.2789 4.2789 6.0078 6.0078 6.4890 6.4890 6.5796 6.5796 7.2960 7.2960 8.0756 8.0756 k = 0.3478-0.0853-0.1110 ( 6439 PWs) bands (ev): -22.1553 -22.1553 -22.1497 -22.1497 -7.7728 -7.7728 -7.1137 -7.1137 -6.8676 -6.8676 -6.7967 -6.7967 -6.0956 -6.0956 -6.0453 -6.0453 -5.9894 -5.9894 -5.9589 -5.9589 -5.3905 -5.3905 -4.9517 -4.9517 -4.7104 -4.7104 0.3992 0.3992 0.8402 0.8402 1.2492 1.2492 1.7636 1.7636 2.3213 2.3213 2.5885 2.5885 2.7534 2.7534 3.0891 3.0891 3.5360 3.5360 3.7658 3.7658 4.2312 4.2312 6.0554 6.0554 6.5158 6.5158 6.5999 6.5999 7.2700 7.2700 8.1449 8.1449 k = 0.3696-0.0907-0.1180 ( 6443 PWs) bands (ev): -22.1553 -22.1553 -22.1498 -22.1498 -7.7701 -7.7701 -7.1226 -7.1226 -6.8638 -6.8638 -6.8014 -6.8014 -6.0931 -6.0931 -6.0484 -6.0484 -5.9865 -5.9865 -5.9585 -5.9585 -5.3842 -5.3842 -4.9414 -4.9414 -4.7207 -4.7207 0.3980 0.3980 0.8807 0.8807 1.2538 1.2538 1.7295 1.7295 2.3167 2.3167 2.5882 2.5882 2.7600 2.7600 3.0555 3.0555 3.5476 3.5476 3.7473 3.7473 4.1879 4.1879 6.1004 6.1004 6.5380 6.5380 6.6201 6.6201 7.2459 7.2459 8.2167 8.2167 k = 0.3913-0.0960-0.1249 ( 6441 PWs) bands (ev): -22.1552 -22.1552 -22.1498 -22.1498 -7.7677 -7.7677 -7.1304 -7.1304 -6.8599 -6.8599 -6.8060 -6.8060 -6.0903 -6.0903 -6.0519 -6.0519 -5.9836 -5.9836 -5.9583 -5.9583 -5.3786 -5.3786 -4.9312 -4.9312 -4.7310 -4.7310 0.3970 0.3970 0.9220 0.9220 1.2520 1.2520 1.7005 1.7005 2.3127 2.3127 2.5866 2.5866 2.7694 2.7694 3.0237 3.0237 3.5606 3.5606 3.7283 3.7283 4.1495 4.1495 6.1420 6.1420 6.5564 6.5564 6.6383 6.6383 7.2248 7.2248 8.2906 8.2906 k = 0.4130-0.1013-0.1318 ( 6443 PWs) bands (ev): -22.1551 -22.1551 -22.1499 -22.1499 -7.7657 -7.7657 -7.1370 -7.1370 -6.8560 -6.8560 -6.8104 -6.8104 -6.0873 -6.0873 -6.0558 -6.0558 -5.9810 -5.9810 -5.9581 -5.9581 -5.3738 -5.3738 -4.9214 -4.9214 -4.7408 -4.7408 0.3961 0.3961 0.9637 0.9637 1.2429 1.2429 1.6772 1.6772 2.3096 2.3096 2.5841 2.5841 2.7809 2.7809 2.9945 2.9945 3.5744 3.5744 3.7096 3.7096 4.1168 4.1168 6.1792 6.1792 6.5712 6.5712 6.6530 6.6530 7.2072 7.2072 8.3665 8.3665 k = 0.4348-0.1067-0.1388 ( 6441 PWs) bands (ev): -22.1551 -22.1551 -22.1499 -22.1499 -7.7640 -7.7640 -7.1422 -7.1422 -6.8524 -6.8524 -6.8146 -6.8146 -6.0841 -6.0841 -6.0597 -6.0597 -5.9788 -5.9788 -5.9582 -5.9582 -5.3700 -5.3700 -4.9126 -4.9126 -4.7496 -4.7496 0.3954 0.3954 1.0050 1.0050 1.2266 1.2266 1.6600 1.6600 2.3071 2.3071 2.5814 2.5814 2.7933 2.7933 2.9686 2.9686 3.5884 3.5884 3.6918 3.6918 4.0902 4.0902 6.2106 6.2106 6.5825 6.5825 6.6637 6.6637 7.1937 7.1937 8.4440 8.4440 k = 0.4565-0.1120-0.1457 ( 6436 PWs) bands (ev): -22.1550 -22.1550 -22.1500 -22.1500 -7.7628 -7.7628 -7.1459 -7.1459 -6.8492 -6.8492 -6.8181 -6.8181 -6.0808 -6.0808 -6.0637 -6.0637 -5.9771 -5.9771 -5.9582 -5.9582 -5.3671 -5.3671 -4.9054 -4.9054 -4.7567 -4.7567 0.3949 0.3949 1.0448 1.0448 1.2042 1.2042 1.6485 1.6485 2.3054 2.3054 2.5790 2.5790 2.8055 2.8055 2.9471 2.9471 3.6019 3.6019 3.6758 3.6758 4.0706 4.0706 6.2347 6.2347 6.5903 6.5903 6.6705 6.6705 7.1843 7.1843 8.5225 8.5225 k = 0.4783-0.1173-0.1527 ( 6441 PWs) bands (ev): -22.1550 -22.1550 -22.1500 -22.1500 -7.7620 -7.7620 -7.1482 -7.1482 -6.8468 -6.8468 -6.8207 -6.8207 -6.0776 -6.0776 -6.0673 -6.0673 -5.9761 -5.9761 -5.9583 -5.9583 -5.3654 -5.3654 -4.9006 -4.9006 -4.7615 -4.7615 0.3945 0.3945 1.0801 1.0801 1.1790 1.1790 1.6420 1.6420 2.3044 2.3044 2.5775 2.5775 2.8150 2.8150 2.9321 2.9321 3.6133 3.6133 3.6628 3.6628 4.0585 4.0585 6.2500 6.2500 6.5948 6.5948 6.6742 6.6742 7.1788 7.1788 8.6010 8.6010 k = 0.5000-0.1227-0.1596 ( 6440 PWs) bands (ev): -22.1550 -22.1550 -22.1500 -22.1500 -7.7618 -7.7618 -7.1490 -7.1490 -6.8459 -6.8459 -6.8217 -6.8217 -6.0758 -6.0758 -6.0692 -6.0692 -5.9757 -5.9757 -5.9584 -5.9584 -5.3648 -5.3648 -4.8990 -4.8990 -4.7632 -4.7632 0.3944 0.3944 1.0982 1.0982 1.1642 1.1642 1.6400 1.6400 2.3041 2.3041 2.5769 2.5769 2.8188 2.8188 2.9265 2.9265 3.6186 3.6186 3.6570 3.6570 4.0545 4.0545 6.2553 6.2553 6.5963 6.5963 6.6753 6.6753 7.1770 7.1770 8.6651 8.6651 k = 0.5000-0.1227 0.5597 ( 6430 PWs) bands (ev): -22.1542 -22.1542 -22.1503 -22.1503 -7.2005 -7.2005 -7.1086 -7.1086 -6.8855 -6.8855 -6.8234 -6.8234 -6.6776 -6.6776 -6.1111 -6.1111 -6.0033 -6.0033 -5.9653 -5.9653 -5.8918 -5.8918 -4.9809 -4.9809 -4.1081 -4.1081 0.3198 0.3198 0.6989 0.6989 1.1250 1.1250 1.3303 1.3303 2.2534 2.2534 2.6644 2.6644 3.0588 3.0588 3.4470 3.4470 3.9440 3.9440 3.9730 3.9730 4.4444 4.4444 6.0459 6.0459 6.4017 6.4017 6.8467 6.8467 7.1905 7.1905 8.5123 8.5123 k = 0.4848-0.1190 0.5428 ( 6434 PWs) bands (ev): -22.1542 -22.1542 -22.1503 -22.1503 -7.2081 -7.2081 -7.1046 -7.1046 -6.8849 -6.8849 -6.8196 -6.8196 -6.6771 -6.6771 -6.1110 -6.1110 -6.0034 -6.0034 -5.9654 -5.9654 -5.8923 -5.8923 -4.9813 -4.9813 -4.1083 -4.1083 0.3203 0.3203 0.6963 0.6963 1.1189 1.1189 1.3410 1.3410 2.2536 2.2536 2.6628 2.6628 3.0617 3.0617 3.4465 3.4465 3.9245 3.9245 3.9880 3.9880 4.4446 4.4446 6.0453 6.0453 6.3997 6.3997 6.8451 6.8451 7.1908 7.1908 8.5160 8.5160 k = 0.4697-0.1152 0.5258 ( 6436 PWs) bands (ev): -22.1542 -22.1542 -22.1503 -22.1503 -7.2275 -7.2275 -7.0956 -7.0956 -6.8835 -6.8835 -6.8084 -6.8084 -6.6752 -6.6752 -6.1108 -6.1108 -6.0036 -6.0036 -5.9657 -5.9657 -5.8938 -5.8938 -4.9826 -4.9826 -4.1089 -4.1089 0.3219 0.3219 0.6887 0.6887 1.1041 1.1041 1.3698 1.3698 2.2540 2.2540 2.6585 2.6585 3.0700 3.0700 3.4451 3.4451 3.8915 3.8915 4.0075 4.0075 4.4450 4.4450 6.0435 6.0435 6.3941 6.3941 6.8401 6.8401 7.1917 7.1917 8.5270 8.5270 k = 0.4545-0.1115 0.5089 ( 6436 PWs) bands (ev): -22.1542 -22.1542 -22.1502 -22.1502 -7.2534 -7.2534 -7.0857 -7.0857 -6.8820 -6.8820 -6.7912 -6.7912 -6.6711 -6.6711 -6.1104 -6.1104 -6.0039 -6.0039 -5.9663 -5.9663 -5.8962 -5.8962 -4.9845 -4.9845 -4.1101 -4.1101 0.3246 0.3246 0.6766 0.6766 1.0860 1.0860 1.4105 1.4105 2.2547 2.2547 2.6523 2.6523 3.0818 3.0818 3.4437 3.4437 3.8539 3.8539 4.0231 4.0231 4.4453 4.4453 6.0410 6.0410 6.3853 6.3853 6.8315 6.8315 7.1934 7.1934 8.5441 8.5441 k = 0.4394-0.1078 0.4919 ( 6438 PWs) bands (ev): -22.1543 -22.1543 -22.1502 -22.1502 -7.2827 -7.2827 -7.0766 -7.0766 -6.8808 -6.8808 -6.7707 -6.7707 -6.6632 -6.6632 -6.1100 -6.1100 -6.0043 -6.0043 -5.9671 -5.9671 -5.8994 -5.8994 -4.9872 -4.9872 -4.1118 -4.1118 0.3282 0.3282 0.6607 0.6607 1.0681 1.0681 1.4587 1.4587 2.2560 2.2560 2.6455 2.6455 3.0949 3.0949 3.4434 3.4434 3.8129 3.8129 4.0339 4.0339 4.4447 4.4447 6.0383 6.0383 6.3742 6.3742 6.8188 6.8188 7.1965 7.1965 8.5658 8.5658 k = 0.4242-0.1041 0.4749 ( 6439 PWs) bands (ev): -22.1543 -22.1543 -22.1502 -22.1502 -7.3136 -7.3136 -7.0686 -7.0686 -6.8799 -6.8799 -6.7515 -6.7515 -6.6484 -6.6484 -6.1093 -6.1093 -6.0049 -6.0049 -5.9679 -5.9679 -5.9035 -5.9035 -4.9906 -4.9906 -4.1142 -4.1142 0.3328 0.3328 0.6420 0.6420 1.0519 1.0519 1.5119 1.5119 2.2579 2.2579 2.6392 2.6392 3.1064 3.1064 3.4457 3.4457 3.7695 3.7695 4.0399 4.0399 4.4428 4.4428 6.0361 6.0361 6.3615 6.3615 6.8018 6.8018 7.2013 7.2013 8.5900 8.5900 k = 0.4091-0.1004 0.4580 ( 6436 PWs) bands (ev): -22.1544 -22.1544 -22.1501 -22.1501 -7.3452 -7.3452 -7.0613 -7.0613 -6.8791 -6.8791 -6.7376 -6.7376 -6.6242 -6.6242 -6.1086 -6.1086 -6.0057 -6.0057 -5.9690 -5.9690 -5.9082 -5.9082 -4.9945 -4.9945 -4.1175 -4.1175 0.3382 0.3382 0.6213 0.6213 1.0377 1.0377 1.5682 1.5682 2.2607 2.2607 2.6342 2.6342 3.1136 3.1136 3.4520 3.4520 3.7246 3.7246 4.0410 4.0410 4.4389 4.4389 6.0353 6.0353 6.3480 6.3480 6.7804 6.7804 7.2080 7.2080 8.6146 8.6146 k = 0.3939-0.0966 0.4410 ( 6439 PWs) bands (ev): -22.1545 -22.1545 -22.1500 -22.1500 -7.3769 -7.3769 -7.0547 -7.0547 -6.8786 -6.8786 -6.7297 -6.7297 -6.5909 -6.5909 -6.1078 -6.1078 -6.0067 -6.0067 -5.9700 -5.9700 -5.9135 -5.9135 -4.9988 -4.9988 -4.1218 -4.1218 0.3445 0.3445 0.5998 0.5998 1.0254 1.0254 1.6266 1.6266 2.2649 2.2649 2.6312 2.6312 3.1148 3.1148 3.4625 3.4625 3.6797 3.6797 4.0375 4.0375 4.4329 4.4329 6.0366 6.0366 6.3340 6.3340 6.7550 6.7550 7.2165 7.2165 8.6372 8.6372 k = 0.3788-0.0929 0.4240 ( 6435 PWs) bands (ev): -22.1545 -22.1545 -22.1500 -22.1500 -7.4082 -7.4082 -7.0483 -7.0483 -6.8781 -6.8781 -6.7260 -6.7260 -6.5512 -6.5512 -6.1069 -6.1069 -6.0080 -6.0080 -5.9711 -5.9711 -5.9191 -5.9191 -5.0034 -5.0034 -4.1273 -4.1273 0.3513 0.3513 0.5784 0.5784 1.0147 1.0147 1.6860 1.6860 2.2709 2.2709 2.6304 2.6304 3.1093 3.1093 3.4748 3.4748 3.6374 3.6374 4.0294 4.0294 4.4248 4.4248 6.0405 6.0405 6.3199 6.3199 6.7261 6.7261 7.2267 7.2267 8.6558 8.6558 k = 0.3636-0.0892 0.4071 ( 6431 PWs) bands (ev): -22.1546 -22.1546 -22.1499 -22.1499 -7.4389 -7.4389 -7.0421 -7.0421 -6.8778 -6.8778 -6.7248 -6.7248 -6.5072 -6.5072 -6.1060 -6.1060 -6.0096 -6.0096 -5.9721 -5.9721 -5.9249 -5.9249 -5.0083 -5.0083 -4.1342 -4.1342 0.3587 0.3587 0.5578 0.5578 1.0051 1.0051 1.7454 1.7454 2.2791 2.2791 2.6317 2.6317 3.0978 3.0978 3.4810 3.4810 3.6050 3.6050 4.0173 4.0173 4.4151 4.4151 6.0473 6.0473 6.3057 6.3057 6.6944 6.6944 7.2382 7.2382 8.6681 8.6681 k = 0.3485-0.0855 0.3901 ( 6436 PWs) bands (ev): -22.1547 -22.1547 -22.1498 -22.1498 -7.4687 -7.4687 -7.0361 -7.0361 -6.8776 -6.8776 -6.7251 -6.7251 -6.4606 -6.4606 -6.1050 -6.1050 -6.0114 -6.0114 -5.9730 -5.9730 -5.9306 -5.9306 -5.0133 -5.0133 -4.1426 -4.1426 0.3663 0.3663 0.5388 0.5388 0.9963 0.9963 1.8040 1.8040 2.2902 2.2902 2.6350 2.6350 3.0816 3.0816 3.4673 3.4673 3.5947 3.5947 4.0017 4.0017 4.4047 4.4047 6.0566 6.0566 6.2916 6.2916 6.6609 6.6609 7.2506 7.2506 8.6719 8.6719 k = 0.3333-0.0818 0.3732 ( 6431 PWs) bands (ev): -22.1548 -22.1548 -22.1498 -22.1498 -7.4976 -7.4976 -7.0300 -7.0300 -6.8774 -6.8774 -6.7264 -6.7264 -6.4125 -6.4125 -6.1039 -6.1039 -6.0136 -6.0136 -5.9737 -5.9737 -5.9360 -5.9360 -5.0183 -5.0183 -4.1527 -4.1527 0.3739 0.3739 0.5219 0.5219 0.9882 0.9882 1.8608 1.8608 2.3045 2.3045 2.6396 2.6396 3.0625 3.0625 3.4331 3.4331 3.6047 3.6047 3.9841 3.9841 4.3947 4.3947 6.0674 6.0674 6.2775 6.2775 6.6269 6.6269 7.2635 7.2635 8.6648 8.6648 k = 0.3182-0.0781 0.3562 ( 6431 PWs) bands (ev): -22.1549 -22.1549 -22.1497 -22.1497 -7.5253 -7.5253 -7.0241 -7.0241 -6.8774 -6.8774 -6.7283 -6.7283 -6.3635 -6.3635 -6.1028 -6.1028 -6.0160 -6.0160 -5.9744 -5.9744 -5.9408 -5.9408 -5.0232 -5.0232 -4.1645 -4.1645 0.3810 0.3810 0.5076 0.5076 0.9806 0.9806 1.9150 1.9150 2.3226 2.3226 2.6449 2.6449 3.0420 3.0420 3.3901 3.3901 3.6211 3.6211 3.9662 3.9662 4.3862 4.3862 6.0780 6.0780 6.2639 6.2639 6.5938 6.5938 7.2765 7.2765 8.6449 8.6449 k = 0.3030-0.0743 0.3392 ( 6438 PWs) bands (ev): -22.1550 -22.1550 -22.1496 -22.1496 -7.5519 -7.5519 -7.0182 -7.0182 -6.8776 -6.8776 -6.7305 -6.7305 -6.3145 -6.3145 -6.1016 -6.1016 -6.0186 -6.0186 -5.9749 -5.9749 -5.9446 -5.9446 -5.0280 -5.0280 -4.1783 -4.1783 0.3873 0.3873 0.4964 0.4964 0.9735 0.9735 1.9655 1.9655 2.3443 2.3443 2.6501 2.6501 3.0217 3.0217 3.3449 3.3449 3.6345 3.6345 3.9507 3.9507 4.3806 4.3806 6.0856 6.0856 6.2517 6.2517 6.5633 6.5633 7.2891 7.2891 8.6112 8.6112 k = 0.2879-0.0706 0.3223 ( 6443 PWs) bands (ev): -22.1551 -22.1551 -22.1495 -22.1495 -7.5773 -7.5773 -7.0124 -7.0124 -6.8779 -6.8779 -6.7330 -6.7330 -6.2665 -6.2665 -6.1001 -6.1001 -6.0212 -6.0212 -5.9756 -5.9756 -5.9468 -5.9468 -5.0326 -5.0326 -4.1939 -4.1939 0.3922 0.3922 0.4888 0.4888 0.9671 0.9671 2.0120 2.0120 2.3694 2.3694 2.6543 2.6543 3.0028 3.0028 3.3004 3.3004 3.6396 3.6396 3.9403 3.9403 4.3789 4.3789 6.0861 6.0861 6.2423 6.2423 6.5372 6.5372 7.3011 7.3011 8.5643 8.5643 k = 0.2727-0.0669 0.3053 ( 6445 PWs) bands (ev): -22.1552 -22.1552 -22.1495 -22.1495 -7.6013 -7.6013 -7.0068 -7.0068 -6.8785 -6.8785 -6.7355 -6.7355 -6.2208 -6.2208 -6.0980 -6.0980 -6.0235 -6.0235 -5.9764 -5.9764 -5.9466 -5.9466 -5.0368 -5.0368 -4.2116 -4.2116 0.3954 0.3954 0.4847 0.4847 0.9613 0.9613 2.0539 2.0539 2.3969 2.3969 2.6568 2.6568 2.9862 2.9862 3.2585 3.2585 3.6344 3.6344 3.9364 3.9364 4.3825 4.3825 6.0763 6.0763 6.2367 6.2367 6.5172 6.5172 7.3123 7.3123 8.5062 8.5062 k = 0.2576-0.0632 0.2883 ( 6446 PWs) bands (ev): -22.1553 -22.1553 -22.1494 -22.1494 -7.6241 -7.6241 -7.0014 -7.0014 -6.8794 -6.8794 -6.7379 -6.7379 -6.1800 -6.1800 -6.0942 -6.0942 -6.0251 -6.0251 -5.9775 -5.9775 -5.9430 -5.9430 -5.0407 -5.0407 -4.2312 -4.2312 0.3970 0.3970 0.4839 0.4839 0.9565 0.9565 2.0913 2.0913 2.4249 2.4249 2.6573 2.6573 2.9721 2.9721 3.2209 3.2209 3.6201 3.6201 3.9376 3.9376 4.3922 4.3922 6.0552 6.0552 6.2339 6.2339 6.5046 6.5046 7.3230 7.3230 8.4394 8.4394 k = 0.2424-0.0595 0.2714 ( 6445 PWs) bands (ev): -22.1554 -22.1554 -22.1493 -22.1493 -7.6455 -7.6455 -6.9962 -6.9962 -6.8807 -6.8807 -6.7401 -6.7401 -6.1489 -6.1489 -6.0868 -6.0868 -6.0252 -6.0252 -5.9787 -5.9787 -5.9345 -5.9345 -5.0442 -5.0442 -4.2526 -4.2526 0.3973 0.3973 0.4857 0.4857 0.9529 0.9529 2.1245 2.1245 2.4512 2.4512 2.6559 2.6559 2.9601 2.9601 3.1892 3.1892 3.6002 3.6002 3.9411 3.9411 4.4087 4.4087 6.0243 6.0243 6.2310 6.2310 6.4999 6.4999 7.3332 7.3332 8.3661 8.3661 k = 0.2273-0.0558 0.2544 ( 6438 PWs) bands (ev): -22.1555 -22.1555 -22.1492 -22.1492 -7.6655 -7.6655 -6.9913 -6.9913 -6.8823 -6.8823 -6.7421 -6.7421 -6.1316 -6.1316 -6.0753 -6.0753 -6.0227 -6.0227 -5.9796 -5.9796 -5.9186 -5.9186 -5.0472 -5.0472 -4.2759 -4.2759 0.3971 0.3971 0.4888 0.4888 0.9507 0.9507 2.1537 2.1537 2.4729 2.4729 2.6534 2.6534 2.9498 2.9498 3.1645 3.1645 3.5790 3.5790 3.9442 3.9442 4.4322 4.4322 5.9861 5.9861 6.2257 6.2257 6.5022 6.5022 7.3434 7.3434 8.2885 8.2885 k = 0.2121-0.0520 0.2375 ( 6435 PWs) bands (ev): -22.1556 -22.1556 -22.1492 -22.1492 -7.6842 -7.6842 -6.9867 -6.9867 -6.8844 -6.8844 -6.7436 -6.7436 -6.1248 -6.1248 -6.0655 -6.0655 -6.0176 -6.0176 -5.9800 -5.9800 -5.8937 -5.8937 -5.0498 -5.0498 -4.3008 -4.3008 0.3968 0.3968 0.4925 0.4925 0.9501 0.9501 2.1792 2.1792 2.4879 2.4879 2.6503 2.6503 2.9406 2.9406 3.1474 3.1474 3.5604 3.5604 3.9450 3.9450 4.4623 4.4623 5.9428 5.9428 6.2171 6.2171 6.5094 6.5094 7.3540 7.3540 8.2083 8.2083 k = 0.1970-0.0483 0.2205 ( 6433 PWs) bands (ev): -22.1557 -22.1557 -22.1491 -22.1491 -7.7016 -7.7016 -6.9823 -6.9823 -6.8870 -6.8870 -6.7448 -6.7448 -6.1229 -6.1229 -6.0605 -6.0605 -6.0121 -6.0121 -5.9798 -5.9798 -5.8602 -5.8602 -5.0518 -5.0518 -4.3272 -4.3272 0.3969 0.3969 0.4958 0.4958 0.9513 0.9513 2.2009 2.2009 2.4954 2.4954 2.6461 2.6461 2.9327 2.9327 3.1376 3.1376 3.5475 3.5475 3.9428 3.9428 4.4981 4.4981 5.8960 5.8960 6.2054 6.2054 6.5194 6.5194 7.3656 7.3656 8.1276 8.1276 k = 0.1818-0.0446 0.2035 ( 6436 PWs) bands (ev): -22.1558 -22.1558 -22.1491 -22.1491 -7.7176 -7.7176 -6.9783 -6.9783 -6.8900 -6.8900 -6.7455 -6.7455 -6.1231 -6.1231 -6.0586 -6.0586 -6.0082 -6.0082 -5.9789 -5.9789 -5.8210 -5.8210 -5.0533 -5.0533 -4.3548 -4.3548 0.3976 0.3976 0.4984 0.4984 0.9543 0.9543 2.2188 2.2188 2.4968 2.4968 2.6394 2.6394 2.9259 2.9259 3.1344 3.1344 3.5423 3.5423 3.9376 3.9376 4.5384 4.5384 5.8471 5.8471 6.1911 6.1911 6.5301 6.5301 7.3785 7.3785 8.0477 8.0477 k = 0.1667-0.0409 0.1866 ( 6434 PWs) bands (ev): -22.1559 -22.1559 -22.1490 -22.1490 -7.7323 -7.7323 -6.9746 -6.9746 -6.8934 -6.8934 -6.7457 -6.7457 -6.1243 -6.1243 -6.0580 -6.0580 -6.0061 -6.0061 -5.9774 -5.9774 -5.7790 -5.7790 -5.0542 -5.0542 -4.3835 -4.3835 0.3989 0.3989 0.4999 0.4999 0.9592 0.9592 2.2325 2.2325 2.4938 2.4938 2.6300 2.6300 2.9186 2.9186 3.1376 3.1376 3.5457 3.5457 3.9298 3.9298 4.5821 4.5821 5.7974 5.7974 6.1745 6.1745 6.5398 6.5398 7.3928 7.3928 7.9703 7.9703 k = 0.1515-0.0372 0.1696 ( 6434 PWs) bands (ev): -22.1560 -22.1560 -22.1489 -22.1489 -7.7456 -7.7456 -6.9711 -6.9711 -6.8972 -6.8972 -6.7456 -6.7456 -6.1261 -6.1261 -6.0579 -6.0579 -6.0051 -6.0051 -5.9756 -5.9756 -5.7360 -5.7360 -5.0545 -5.0545 -4.4129 -4.4129 0.4009 0.4009 0.5000 0.5000 0.9657 0.9657 2.2419 2.2419 2.4878 2.4878 2.6194 2.6194 2.9087 2.9087 3.1475 3.1475 3.5573 3.5573 3.9199 3.9199 4.6279 4.6279 5.7477 5.7477 6.1563 6.1563 6.5479 6.5479 7.4083 7.4083 7.8966 7.8966 k = 0.1364-0.0335 0.1527 ( 6438 PWs) bands (ev): -22.1560 -22.1560 -22.1489 -22.1489 -7.7577 -7.7577 -6.9679 -6.9679 -6.9012 -6.9012 -6.7451 -6.7451 -6.1282 -6.1282 -6.0580 -6.0580 -6.0048 -6.0048 -5.9737 -5.9737 -5.6936 -5.6936 -5.0543 -5.0543 -4.4426 -4.4426 0.4035 0.4035 0.4988 0.4988 0.9736 0.9736 2.2471 2.2471 2.4791 2.4791 2.6102 2.6102 2.8949 2.8949 3.1635 3.1635 3.5757 3.5757 3.9083 3.9083 4.6746 4.6746 5.6991 5.6991 6.1367 6.1367 6.5539 6.5539 7.4243 7.4243 7.8279 7.8279 k = 0.1212-0.0297 0.1357 ( 6441 PWs) bands (ev): -22.1561 -22.1561 -22.1489 -22.1489 -7.7684 -7.7684 -6.9649 -6.9649 -6.9055 -6.9055 -6.7444 -6.7444 -6.1304 -6.1304 -6.0581 -6.0581 -6.0049 -6.0049 -5.9718 -5.9718 -5.6527 -5.6527 -5.0534 -5.0534 -4.4723 -4.4723 0.4067 0.4067 0.4963 0.4963 0.9826 0.9826 2.2486 2.2486 2.4674 2.4674 2.6052 2.6052 2.8771 2.8771 3.1842 3.1842 3.5991 3.5991 3.8956 3.8956 4.7211 4.7211 5.6523 5.6523 6.1161 6.1161 6.5579 6.5579 7.4394 7.4394 7.7659 7.7659 k = 0.1061-0.0260 0.1187 ( 6443 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.7778 -7.7778 -6.9620 -6.9620 -6.9098 -6.9098 -6.7435 -6.7435 -6.1325 -6.1325 -6.0581 -6.0581 -6.0052 -6.0052 -5.9699 -5.9699 -5.6140 -5.6140 -5.0520 -5.0520 -4.5013 -4.5013 0.4105 0.4105 0.4926 0.4926 0.9921 0.9921 2.2472 2.2472 2.4529 2.4529 2.6057 2.6057 2.8565 2.8565 3.2075 3.2075 3.6255 3.6255 3.8821 3.8821 4.7663 4.7663 5.6082 5.6082 6.0952 6.0952 6.5601 6.5601 7.4515 7.4515 7.7128 7.7128 k = 0.0909-0.0223 0.1018 ( 6442 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.7859 -7.7859 -6.9593 -6.9593 -6.9140 -6.9140 -6.7425 -6.7425 -6.1345 -6.1345 -6.0581 -6.0581 -6.0055 -6.0055 -5.9681 -5.9681 -5.5784 -5.5784 -5.0500 -5.0500 -4.5291 -4.5291 0.4148 0.4148 0.4880 0.4880 1.0018 1.0018 2.2438 2.2438 2.4368 2.4368 2.6112 2.6112 2.8343 2.8343 3.2316 3.2316 3.6533 3.6533 3.8683 3.8683 4.8092 4.8092 5.5678 5.5678 6.0745 6.0745 6.5611 6.5611 7.4575 7.4575 7.6719 7.6719 k = 0.0758-0.0186 0.0848 ( 6439 PWs) bands (ev): -22.1562 -22.1562 -22.1488 -22.1488 -7.7928 -7.7928 -6.9567 -6.9567 -6.9182 -6.9182 -6.7415 -6.7415 -6.1362 -6.1362 -6.0580 -6.0580 -6.0059 -6.0059 -5.9666 -5.9666 -5.5465 -5.5465 -5.0476 -5.0476 -4.5549 -4.5549 0.4197 0.4197 0.4825 0.4825 1.0111 1.0111 2.2393 2.2393 2.4206 2.4206 2.6205 2.6205 2.8117 2.8117 3.2548 3.2548 3.6807 3.6807 3.8545 3.8545 4.8484 4.8484 5.5318 5.5318 6.0546 6.0546 6.5611 6.5611 7.4544 7.4544 7.6463 7.6463 k = 0.0606-0.0149 0.0678 ( 6433 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.7983 -7.7983 -6.9542 -6.9542 -6.9221 -6.9221 -6.7406 -6.7406 -6.1377 -6.1377 -6.0579 -6.0579 -6.0063 -6.0063 -5.9652 -5.9652 -5.5192 -5.5192 -5.0449 -5.0449 -4.5780 -4.5780 0.4249 0.4249 0.4765 0.4765 1.0195 1.0195 2.2346 2.2346 2.4058 2.4058 2.6325 2.6325 2.7894 2.7894 3.2758 3.2758 3.7067 3.7067 3.8410 3.8410 4.8827 4.8827 5.5011 5.5011 6.0365 6.0365 6.5607 6.5607 7.4423 7.4423 7.6360 7.6360 k = 0.0455-0.0112 0.0509 ( 6440 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8027 -7.8027 -6.9518 -6.9518 -6.9257 -6.9257 -6.7399 -6.7399 -6.1389 -6.1389 -6.0578 -6.0578 -6.0066 -6.0066 -5.9641 -5.9641 -5.4970 -5.4970 -5.0422 -5.0422 -4.5974 -4.5974 0.4306 0.4306 0.4700 0.4700 1.0265 1.0265 2.2303 2.2303 2.3935 2.3935 2.6461 2.6461 2.7681 2.7681 3.2933 3.2933 3.7304 3.7304 3.8277 3.8277 4.9110 4.9110 5.4763 5.4763 6.0210 6.0210 6.5601 6.5601 7.4259 7.4259 7.6368 7.6368 k = 0.0303-0.0074 0.0339 ( 6438 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8058 -7.8058 -6.9497 -6.9497 -6.9288 -6.9288 -6.7393 -6.7393 -6.1398 -6.1398 -6.0577 -6.0577 -6.0068 -6.0068 -5.9633 -5.9633 -5.4807 -5.4807 -5.0399 -5.0399 -4.6122 -4.6122 0.4366 0.4366 0.4634 0.4634 1.0319 1.0319 2.2268 2.2268 2.3842 2.3842 2.6601 2.6601 2.7488 2.7488 3.3065 3.3065 3.7511 3.7511 3.8148 3.8148 4.9321 4.9321 5.4582 5.4582 6.0091 6.0091 6.5596 6.5596 7.4106 7.4106 7.6432 7.6432 k = 0.0152-0.0037 0.0170 ( 6442 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8076 -7.8076 -6.9481 -6.9481 -6.9310 -6.9310 -6.7389 -6.7389 -6.1403 -6.1403 -6.0577 -6.0577 -6.0069 -6.0069 -5.9628 -5.9628 -5.4707 -5.4707 -5.0383 -5.0383 -4.6215 -4.6215 0.4429 0.4429 0.4567 0.4567 1.0352 1.0352 2.2246 2.2246 2.3785 2.3785 2.6728 2.6728 2.7330 2.7330 3.3147 3.3147 3.7686 3.7686 3.8021 3.8021 4.9452 4.9452 5.4472 5.4472 6.0016 6.0016 6.5592 6.5592 7.4002 7.4002 7.6508 7.6508 k = 0.0000 0.0000 0.0000 ( 6439 PWs) bands (ev): -22.1563 -22.1563 -22.1487 -22.1487 -7.8082 -7.8082 -6.9475 -6.9475 -6.9318 -6.9318 -6.7388 -6.7388 -6.1405 -6.1405 -6.0576 -6.0576 -6.0070 -6.0070 -5.9627 -5.9627 -5.4673 -5.4673 -5.0377 -5.0377 -4.6246 -4.6246 0.4480 0.4480 0.4514 0.4514 1.0363 1.0363 2.2238 2.2238 2.3766 2.3766 2.6789 2.6789 2.7258 2.7258 3.3175 3.3175 3.7790 3.7790 3.7933 3.7933 4.9496 4.9496 5.4435 5.4435 5.9990 5.9990 6.5591 6.5591 7.3966 7.3966 7.6545 7.6545 Writing output data file Rb2Te5.save init_run : 0.38s CPU 0.51s WALL ( 1 calls) electrons : 258.08s CPU 260.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 258.08s CPU 260.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 223 calls) cegterg : 237.99s CPU 240.27s WALL ( 319 calls) Called by sum_band: Called by *egterg: h_psi : 135.38s CPU 137.53s WALL ( 5423 calls) s_psi : 6.38s CPU 6.51s WALL ( 5423 calls) g_psi : 0.14s CPU 0.14s WALL ( 4881 calls) cdiaghg : 94.83s CPU 95.04s WALL ( 5104 calls) cegterg:over : 8.15s CPU 8.18s WALL ( 4881 calls) cegterg:upda : 4.74s CPU 4.77s WALL ( 4881 calls) cegterg:last : 2.46s CPU 2.46s WALL ( 765 calls) cdiaghg:chol : 3.39s CPU 3.40s WALL ( 5104 calls) cdiaghg:inve : 2.36s CPU 2.26s WALL ( 5104 calls) cdiaghg:para : 5.86s CPU 6.05s WALL ( 10208 calls) Called by h_psi: h_psi:vloc : 120.33s CPU 122.49s WALL ( 5423 calls) h_psi:vnl : 14.90s CPU 14.90s WALL ( 5423 calls) add_vuspsi : 7.90s CPU 7.91s WALL ( 5423 calls) General routines calbec : 6.99s CPU 6.97s WALL ( 5423 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.01s CPU 119.22s WALL ( 600448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.11s WALL ( 446 calls) Parallel routines fft_scatter : 85.63s CPU 87.81s WALL ( 600471 calls) PWSCF : 4m50.54s CPU 5m14.49s WALL This run was terminated on: 9: 4:31 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=