Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 6:56:47 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: ./KSb2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 32 19 5 1530 686 104 Max 33 20 6 1537 704 112 Sum 2355 1395 397 110435 50033 7747 bravais-lattice index = 14 lattice parameter (alat) = 13.8693 a.u. unit-cell volume = 1410.4265 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.869266 celldm(2)= 1.000000 celldm(3)= 0.960991 celldm(4)= 0.083786 celldm(5)= 0.083786 celldm(6)= 0.833675 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.833675 0.552255 0.000000 ) a(3) = ( 0.080518 0.024250 0.957305 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.509583 -0.045869 ) b(2) = ( 0.000000 1.810757 -0.045869 ) b(3) = ( 0.000000 0.000000 1.044600 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 K 9.00 39.09830 K( 1.00) Sb 5.00 121.76000 Sb( 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= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0217391 0.0065473 -0.0019943), wk = 0.0032051 k( 3) = ( 0.0434783 0.0130945 -0.0039886), wk = 0.0032051 k( 4) = ( 0.0652174 0.0196418 -0.0059829), wk = 0.0032051 k( 5) = ( 0.0869565 0.0261890 -0.0079772), wk = 0.0032051 k( 6) = ( 0.1086957 0.0327363 -0.0099715), wk = 0.0032051 k( 7) = ( 0.1304348 0.0392836 -0.0119658), wk = 0.0032051 k( 8) = ( 0.1521739 0.0458308 -0.0139601), wk = 0.0032051 k( 9) = ( 0.1739130 0.0523781 -0.0159544), wk = 0.0032051 k( 10) = ( 0.1956522 0.0589253 -0.0179487), wk = 0.0032051 k( 11) = ( 0.2173913 0.0654726 -0.0199430), wk = 0.0032051 k( 12) = ( 0.2391304 0.0720199 -0.0219373), wk = 0.0032051 k( 13) = ( 0.2608696 0.0785671 -0.0239316), wk = 0.0032051 k( 14) = ( 0.2826087 0.0851144 -0.0259259), wk = 0.0032051 k( 15) = ( 0.3043478 0.0916616 -0.0279202), wk = 0.0032051 k( 16) = ( 0.3260870 0.0982089 -0.0299145), wk = 0.0032051 k( 17) = ( 0.3478261 0.1047562 -0.0319088), wk = 0.0032051 k( 18) = ( 0.3695652 0.1113034 -0.0339031), wk = 0.0032051 k( 19) = ( 0.3913044 0.1178507 -0.0358974), wk = 0.0032051 k( 20) = ( 0.4130435 0.1243979 -0.0378917), wk = 0.0032051 k( 21) = ( 0.4347826 0.1309452 -0.0398860), wk = 0.0032051 k( 22) = ( 0.4565217 0.1374925 -0.0418803), wk = 0.0032051 k( 23) = ( 0.4782609 0.1440397 -0.0438746), wk = 0.0032051 k( 24) = ( 0.5000000 0.1505870 -0.0458689), wk = 0.0032051 k( 25) = ( 0.5000000 0.1505870 -0.0458689), wk = 0.0032051 k( 26) = ( 0.5019082 0.1511617 -0.0231817), wk = 0.0032051 k( 27) = ( 0.5038164 0.1517364 -0.0004945), wk = 0.0032051 k( 28) = ( 0.5057246 0.1523111 0.0221927), wk = 0.0032051 k( 29) = ( 0.5076327 0.1528858 0.0448799), wk = 0.0032051 k( 30) = ( 0.5095409 0.1534605 0.0675670), wk = 0.0032051 k( 31) = ( 0.5114491 0.1540352 0.0902542), wk = 0.0032051 k( 32) = ( 0.5133573 0.1546099 0.1129414), wk = 0.0032051 k( 33) = ( 0.5152655 0.1551846 0.1356286), wk = 0.0032051 k( 34) = ( 0.5171737 0.1557592 0.1583158), wk = 0.0032051 k( 35) = ( 0.5190819 0.1563339 0.1810030), wk = 0.0032051 k( 36) = ( 0.5209901 0.1569086 0.2036902), wk = 0.0032051 k( 37) = ( 0.5228983 0.1574833 0.2263773), wk = 0.0032051 k( 38) = ( 0.5248065 0.1580580 0.2490645), wk = 0.0032051 k( 39) = ( 0.5267146 0.1586327 0.2717517), wk = 0.0032051 k( 40) = ( 0.5286228 0.1592074 0.2944389), wk = 0.0032051 k( 41) = ( 0.5305310 0.1597821 0.3171261), wk = 0.0032051 k( 42) = ( 0.5324392 0.1603568 0.3398133), wk = 0.0032051 k( 43) = ( 0.5343474 0.1609315 0.3625005), wk = 0.0032051 k( 44) = ( 0.5362556 0.1615062 0.3851876), wk = 0.0032051 k( 45) = ( 0.5381638 0.1620809 0.4078748), wk = 0.0032051 k( 46) = ( 0.5400719 0.1626556 0.4305620), wk = 0.0032051 k( 47) = ( 0.5400719 0.1626556 0.4305620), wk = 0.0032051 k( 48) = ( 0.5267146 0.1586327 0.4458516), wk = 0.0032051 k( 49) = ( 0.5133573 0.1546099 0.4611413), wk = 0.0032051 k( 50) = ( 0.5000000 0.1505870 0.4764309), wk = 0.0032051 k( 51) = ( 0.5000000 0.1505870 0.4764309), wk = 0.0032051 k( 52) = ( 0.5066038 0.1286601 0.4764309), wk = 0.0032051 k( 53) = ( 0.5132076 0.1067332 0.4764309), wk = 0.0032051 k( 54) = ( 0.5198114 0.0848063 0.4764309), wk = 0.0032051 k( 55) = ( 0.5264152 0.0628794 0.4764309), wk = 0.0032051 k( 56) = ( 0.5330190 0.0409525 0.4764309), wk = 0.0032051 k( 57) = ( 0.5396228 0.0190256 0.4764309), wk = 0.0032051 k( 58) = ( 0.5462267 -0.0029013 0.4764309), wk = 0.0032051 k( 59) = ( 0.5528305 -0.0248282 0.4764309), wk = 0.0032051 k( 60) = ( 0.5594343 -0.0467550 0.4764309), wk = 0.0032051 k( 61) = ( 0.5660381 -0.0686819 0.4764309), wk = 0.0032051 k( 62) = ( 0.5726419 -0.0906088 0.4764309), wk = 0.0032051 k( 63) = ( 0.5792457 -0.1125357 0.4764309), wk = 0.0032051 k( 64) = ( 0.5858495 -0.1344626 0.4764309), wk = 0.0032051 k( 65) = ( 0.5924533 -0.1563895 0.4764309), wk = 0.0032051 k( 66) = ( 0.5990571 -0.1783164 0.4764309), wk = 0.0032051 k( 67) = ( 0.6056609 -0.2002433 0.4764309), wk = 0.0032051 k( 68) = ( 0.6122647 -0.2221701 0.4764309), wk = 0.0032051 k( 69) = ( 0.6188685 -0.2440970 0.4764309), wk = 0.0032051 k( 70) = ( 0.6254724 -0.2660239 0.4764309), wk = 0.0032051 k( 71) = ( 0.6320762 -0.2879508 0.4764309), wk = 0.0032051 k( 72) = ( 0.6386800 -0.3098777 0.4764309), wk = 0.0032051 k( 73) = ( 0.6452838 -0.3318046 0.4764309), wk = 0.0032051 k( 74) = ( 0.6518876 -0.3537315 0.4764309), wk = 0.0032051 k( 75) = ( 0.6584914 -0.3756584 0.4764309), wk = 0.0032051 k( 76) = ( 0.6650952 -0.3975853 0.4764309), wk = 0.0032051 k( 77) = ( 0.6716990 -0.4195121 0.4764309), wk = 0.0032051 k( 78) = ( 0.6783028 -0.4414390 0.4764309), wk = 0.0032051 k( 79) = ( 0.6849066 -0.4633659 0.4764309), wk = 0.0032051 k( 80) = ( 0.6915104 -0.4852928 0.4764309), wk = 0.0032051 k( 81) = ( 0.6981143 -0.5072197 0.4764309), wk = 0.0032051 k( 82) = ( 0.7047181 -0.5291466 0.4764309), wk = 0.0032051 k( 83) = ( 0.7113219 -0.5510735 0.4764309), wk = 0.0032051 k( 84) = ( 0.7179257 -0.5730004 0.4764309), wk = 0.0032051 k( 85) = ( 0.7245295 -0.5949273 0.4764309), wk = 0.0032051 k( 86) = ( 0.7311333 -0.6168542 0.4764309), wk = 0.0032051 k( 87) = ( 0.2688667 -0.8927289 0.5222998), wk = 0.0032051 k( 88) = ( 0.2621450 -0.8704107 0.5222998), wk = 0.0032051 k( 89) = ( 0.2554234 -0.8480925 0.5222998), wk = 0.0032051 k( 90) = ( 0.2487017 -0.8257743 0.5222998), wk = 0.0032051 k( 91) = ( 0.2419800 -0.8034561 0.5222998), wk = 0.0032051 k( 92) = ( 0.2352584 -0.7811378 0.5222998), wk = 0.0032051 k( 93) = ( 0.2285367 -0.7588196 0.5222998), wk = 0.0032051 k( 94) = ( 0.2218150 -0.7365014 0.5222998), wk = 0.0032051 k( 95) = ( 0.2150934 -0.7141832 0.5222998), wk = 0.0032051 k( 96) = ( 0.2083717 -0.6918649 0.5222998), wk = 0.0032051 k( 97) = ( 0.2016500 -0.6695467 0.5222998), wk = 0.0032051 k( 98) = ( 0.1949284 -0.6472285 0.5222998), wk = 0.0032051 k( 99) = ( 0.1882067 -0.6249103 0.5222998), wk = 0.0032051 k( 100) = ( 0.1814850 -0.6025920 0.5222998), wk = 0.0032051 k( 101) = ( 0.1747634 -0.5802738 0.5222998), wk = 0.0032051 k( 102) = ( 0.1680417 -0.5579556 0.5222998), wk = 0.0032051 k( 103) = ( 0.1613200 -0.5356374 0.5222998), wk = 0.0032051 k( 104) = ( 0.1545984 -0.5133191 0.5222998), wk = 0.0032051 k( 105) = ( 0.1478767 -0.4910009 0.5222998), wk = 0.0032051 k( 106) = ( 0.1411550 -0.4686827 0.5222998), wk = 0.0032051 k( 107) = ( 0.1344334 -0.4463645 0.5222998), wk = 0.0032051 k( 108) = ( 0.1277117 -0.4240463 0.5222998), wk = 0.0032051 k( 109) = ( 0.1209900 -0.4017280 0.5222998), wk = 0.0032051 k( 110) = ( 0.1142684 -0.3794098 0.5222998), wk = 0.0032051 k( 111) = ( 0.1075467 -0.3570916 0.5222998), wk = 0.0032051 k( 112) = ( 0.1008250 -0.3347734 0.5222998), wk = 0.0032051 k( 113) = ( 0.0941034 -0.3124551 0.5222998), wk = 0.0032051 k( 114) = ( 0.0873817 -0.2901369 0.5222998), wk = 0.0032051 k( 115) = ( 0.0806600 -0.2678187 0.5222998), wk = 0.0032051 k( 116) = ( 0.0739383 -0.2455005 0.5222998), wk = 0.0032051 k( 117) = ( 0.0672167 -0.2231822 0.5222998), wk = 0.0032051 k( 118) = ( 0.0604950 -0.2008640 0.5222998), wk = 0.0032051 k( 119) = ( 0.0537733 -0.1785458 0.5222998), wk = 0.0032051 k( 120) = ( 0.0470517 -0.1562276 0.5222998), wk = 0.0032051 k( 121) = ( 0.0403300 -0.1339094 0.5222998), wk = 0.0032051 k( 122) = ( 0.0336083 -0.1115911 0.5222998), wk = 0.0032051 k( 123) = ( 0.0268867 -0.0892729 0.5222998), wk = 0.0032051 k( 124) = ( 0.0201650 -0.0669547 0.5222998), wk = 0.0032051 k( 125) = ( 0.0134433 -0.0446365 0.5222998), wk = 0.0032051 k( 126) = ( 0.0067217 -0.0223182 0.5222998), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.5222998), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.5222998), wk = 0.0032051 k( 129) = ( 0.0219013 0.0065961 0.5222998), wk = 0.0032051 k( 130) = ( 0.0438027 0.0131922 0.5222998), wk = 0.0032051 k( 131) = ( 0.0657040 0.0197883 0.5222998), wk = 0.0032051 k( 132) = ( 0.0876053 0.0263844 0.5222998), wk = 0.0032051 k( 133) = ( 0.1095067 0.0329806 0.5222998), wk = 0.0032051 k( 134) = ( 0.1314080 0.0395767 0.5222998), wk = 0.0032051 k( 135) = ( 0.1533094 0.0461728 0.5222998), wk = 0.0032051 k( 136) = ( 0.1752107 0.0527689 0.5222998), wk = 0.0032051 k( 137) = ( 0.1971120 0.0593650 0.5222998), wk = 0.0032051 k( 138) = ( 0.2190134 0.0659611 0.5222998), wk = 0.0032051 k( 139) = ( 0.2409147 0.0725572 0.5222998), wk = 0.0032051 k( 140) = ( 0.2628160 0.0791533 0.5222998), wk = 0.0032051 k( 141) = ( 0.2847174 0.0857495 0.5222998), wk = 0.0032051 k( 142) = ( 0.3066187 0.0923456 0.5222998), wk = 0.0032051 k( 143) = ( 0.3285200 0.0989417 0.5222998), wk = 0.0032051 k( 144) = ( 0.3504214 0.1055378 0.5222998), wk = 0.0032051 k( 145) = ( 0.3723227 0.1121339 0.5222998), wk = 0.0032051 k( 146) = ( 0.3942240 0.1187300 0.5222998), wk = 0.0032051 k( 147) = ( 0.4161254 0.1253261 0.5222998), wk = 0.0032051 k( 148) = ( 0.4380267 0.1319222 0.5222998), wk = 0.0032051 k( 149) = ( 0.4599280 0.1385184 0.5222998), wk = 0.0032051 k( 150) = ( 0.5000000 0.1505870 -0.0458689), wk = 0.0032051 k( 151) = ( 0.5066808 0.1284043 -0.0458689), wk = 0.0032051 k( 152) = ( 0.5133617 0.1062217 -0.0458689), wk = 0.0032051 k( 153) = ( 0.5200425 0.0840390 -0.0458689), wk = 0.0032051 k( 154) = ( 0.5267234 0.0618563 -0.0458689), wk = 0.0032051 k( 155) = ( 0.5334042 0.0396737 -0.0458689), wk = 0.0032051 k( 156) = ( 0.5400850 0.0174910 -0.0458689), wk = 0.0032051 k( 157) = ( 0.5467659 -0.0046917 -0.0458689), wk = 0.0032051 k( 158) = ( 0.5534467 -0.0268743 -0.0458689), wk = 0.0032051 k( 159) = ( 0.5601276 -0.0490570 -0.0458689), wk = 0.0032051 k( 160) = ( 0.5668084 -0.0712397 -0.0458689), wk = 0.0032051 k( 161) = ( 0.5734892 -0.0934223 -0.0458689), wk = 0.0032051 k( 162) = ( 0.5801701 -0.1156050 -0.0458689), wk = 0.0032051 k( 163) = ( 0.5868509 -0.1377877 -0.0458689), wk = 0.0032051 k( 164) = ( 0.5935318 -0.1599703 -0.0458689), wk = 0.0032051 k( 165) = ( 0.6002126 -0.1821530 -0.0458689), wk = 0.0032051 k( 166) = ( 0.6068934 -0.2043356 -0.0458689), wk = 0.0032051 k( 167) = ( 0.6135743 -0.2265183 -0.0458689), wk = 0.0032051 k( 168) = ( 0.6202551 -0.2487010 -0.0458689), wk = 0.0032051 k( 169) = ( 0.6269360 -0.2708837 -0.0458689), wk = 0.0032051 k( 170) = ( 0.6336168 -0.2930663 -0.0458689), wk = 0.0032051 k( 171) = ( 0.6402977 -0.3152490 -0.0458689), wk = 0.0032051 k( 172) = ( 0.6469785 -0.3374316 -0.0458689), wk = 0.0032051 k( 173) = ( 0.6536593 -0.3596143 -0.0458689), wk = 0.0032051 k( 174) = ( 0.6603402 -0.3817970 -0.0458689), wk = 0.0032051 k( 175) = ( 0.6670210 -0.4039796 -0.0458689), wk = 0.0032051 k( 176) = ( 0.6737019 -0.4261623 -0.0458689), wk = 0.0032051 k( 177) = ( 0.6803827 -0.4483450 -0.0458689), wk = 0.0032051 k( 178) = ( 0.6870635 -0.4705276 -0.0458689), wk = 0.0032051 k( 179) = ( 0.6937444 -0.4927103 -0.0458689), wk = 0.0032051 k( 180) = ( 0.7004252 -0.5148930 -0.0458689), wk = 0.0032051 k( 181) = ( 0.7071061 -0.5370756 -0.0458689), wk = 0.0032051 k( 182) = ( 0.7137869 -0.5592583 -0.0458689), wk = 0.0032051 k( 183) = ( 0.7204677 -0.5814409 -0.0458689), wk = 0.0032051 k( 184) = ( 0.7271486 -0.6036236 -0.0458689), wk = 0.0032051 k( 185) = ( 0.2728514 -0.9059595 0.0000000), wk = 0.0032051 k( 186) = ( 0.2661965 -0.8838629 0.0000000), wk = 0.0032051 k( 187) = ( 0.2595416 -0.8617663 0.0000000), wk = 0.0032051 k( 188) = ( 0.2528867 -0.8396698 0.0000000), wk = 0.0032051 k( 189) = ( 0.2462318 -0.8175732 0.0000000), wk = 0.0032051 k( 190) = ( 0.2395769 -0.7954766 0.0000000), wk = 0.0032051 k( 191) = ( 0.2329219 -0.7733800 0.0000000), wk = 0.0032051 k( 192) = ( 0.2262670 -0.7512835 0.0000000), wk = 0.0032051 k( 193) = ( 0.2196121 -0.7291869 0.0000000), wk = 0.0032051 k( 194) = ( 0.2129572 -0.7070903 0.0000000), wk = 0.0032051 k( 195) = ( 0.2063023 -0.6849938 0.0000000), wk = 0.0032051 k( 196) = ( 0.1996474 -0.6628972 0.0000000), wk = 0.0032051 k( 197) = ( 0.1929925 -0.6408006 0.0000000), wk = 0.0032051 k( 198) = ( 0.1863375 -0.6187041 0.0000000), wk = 0.0032051 k( 199) = ( 0.1796826 -0.5966075 0.0000000), wk = 0.0032051 k( 200) = ( 0.1730277 -0.5745109 0.0000000), wk = 0.0032051 k( 201) = ( 0.1663728 -0.5524143 0.0000000), wk = 0.0032051 k( 202) = ( 0.1597179 -0.5303178 0.0000000), wk = 0.0032051 k( 203) = ( 0.1530630 -0.5082212 0.0000000), wk = 0.0032051 k( 204) = ( 0.1464081 -0.4861246 0.0000000), wk = 0.0032051 k( 205) = ( 0.1397532 -0.4640280 0.0000000), wk = 0.0032051 k( 206) = ( 0.1330983 -0.4419315 0.0000000), wk = 0.0032051 k( 207) = ( 0.1264433 -0.4198349 0.0000000), wk = 0.0032051 k( 208) = ( 0.1197884 -0.3977383 0.0000000), wk = 0.0032051 k( 209) = ( 0.1131335 -0.3756417 0.0000000), wk = 0.0032051 k( 210) = ( 0.1064786 -0.3535452 0.0000000), wk = 0.0032051 k( 211) = ( 0.0998237 -0.3314486 0.0000000), wk = 0.0032051 k( 212) = ( 0.0931688 -0.3093520 0.0000000), wk = 0.0032051 k( 213) = ( 0.0865139 -0.2872554 0.0000000), wk = 0.0032051 k( 214) = ( 0.0798589 -0.2651589 0.0000000), wk = 0.0032051 k( 215) = ( 0.0732040 -0.2430623 0.0000000), wk = 0.0032051 k( 216) = ( 0.0665491 -0.2209657 0.0000000), wk = 0.0032051 k( 217) = ( 0.0598942 -0.1988692 0.0000000), wk = 0.0032051 k( 218) = ( 0.0532393 -0.1767726 0.0000000), wk = 0.0032051 k( 219) = ( 0.0465844 -0.1546760 0.0000000), wk = 0.0032051 k( 220) = ( 0.0399295 -0.1325794 0.0000000), wk = 0.0032051 k( 221) = ( 0.0332746 -0.1104829 0.0000000), wk = 0.0032051 k( 222) = ( 0.0266197 -0.0883863 0.0000000), wk = 0.0032051 k( 223) = ( 0.0199647 -0.0662897 0.0000000), wk = 0.0032051 k( 224) = ( 0.0133098 -0.0441931 0.0000000), wk = 0.0032051 k( 225) = ( 0.0066549 -0.0220966 0.0000000), wk = 0.0032051 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 228) = ( 0.0128205 -0.0193536 -0.0005881), wk = 0.0032051 k( 229) = ( 0.0256410 -0.0387073 -0.0011761), wk = 0.0032051 k( 230) = ( 0.0384615 -0.0580609 -0.0017642), wk = 0.0032051 k( 231) = ( 0.0512821 -0.0774145 -0.0023523), wk = 0.0032051 k( 232) = ( 0.0641026 -0.0967681 -0.0029403), wk = 0.0032051 k( 233) = ( 0.0769231 -0.1161218 -0.0035284), wk = 0.0032051 k( 234) = ( 0.0897436 -0.1354754 -0.0041164), wk = 0.0032051 k( 235) = ( 0.1025641 -0.1548290 -0.0047045), wk = 0.0032051 k( 236) = ( 0.1153846 -0.1741827 -0.0052926), wk = 0.0032051 k( 237) = ( 0.1282051 -0.1935363 -0.0058806), wk = 0.0032051 k( 238) = ( 0.1410256 -0.2128899 -0.0064687), wk = 0.0032051 k( 239) = ( 0.1538461 -0.2322435 -0.0070568), wk = 0.0032051 k( 240) = ( 0.1666667 -0.2515972 -0.0076448), wk = 0.0032051 k( 241) = ( 0.1794872 -0.2709508 -0.0082329), wk = 0.0032051 k( 242) = ( 0.1923077 -0.2903044 -0.0088209), wk = 0.0032051 k( 243) = ( 0.2051282 -0.3096581 -0.0094090), wk = 0.0032051 k( 244) = ( 0.2179487 -0.3290117 -0.0099971), wk = 0.0032051 k( 245) = ( 0.2307692 -0.3483653 -0.0105851), wk = 0.0032051 k( 246) = ( 0.2435897 -0.3677190 -0.0111732), wk = 0.0032051 k( 247) = ( 0.2564103 -0.3870726 -0.0117613), wk = 0.0032051 k( 248) = ( 0.2692308 -0.4064262 -0.0123493), wk = 0.0032051 k( 249) = ( 0.2820513 -0.4257798 -0.0129374), wk = 0.0032051 k( 250) = ( 0.2948718 -0.4451335 -0.0135254), wk = 0.0032051 k( 251) = ( 0.3076923 -0.4644871 -0.0141135), wk = 0.0032051 k( 252) = ( 0.3205128 -0.4838407 -0.0147016), wk = 0.0032051 k( 253) = ( 0.3333333 -0.5031944 -0.0152896), wk = 0.0032051 k( 254) = ( 0.3461538 -0.5225480 -0.0158777), wk = 0.0032051 k( 255) = ( 0.3589744 -0.5419016 -0.0164658), wk = 0.0032051 k( 256) = ( 0.3717949 -0.5612553 -0.0170538), wk = 0.0032051 k( 257) = ( 0.3846154 -0.5806089 -0.0176419), wk = 0.0032051 k( 258) = ( 0.3974359 -0.5999625 -0.0182299), wk = 0.0032051 k( 259) = ( 0.4102564 -0.6193161 -0.0188180), wk = 0.0032051 k( 260) = ( 0.4230769 -0.6386698 -0.0194061), wk = 0.0032051 k( 261) = ( 0.4358974 -0.6580234 -0.0199941), wk = 0.0032051 k( 262) = ( 0.4487179 -0.6773770 -0.0205822), wk = 0.0032051 k( 263) = ( 0.4615385 -0.6967307 -0.0211703), wk = 0.0032051 k( 264) = ( 0.4743590 -0.7160843 -0.0217583), wk = 0.0032051 k( 265) = ( 0.4871795 -0.7354379 -0.0223464), wk = 0.0032051 k( 266) = ( 0.5000000 -0.7547916 -0.0229344), wk = 0.0032051 k( 267) = ( 0.5000000 -0.7547916 0.4993653), wk = 0.0032051 k( 268) = ( 0.4888889 -0.7380184 0.4882683), wk = 0.0032051 k( 269) = ( 0.4777778 -0.7212453 0.4771713), wk = 0.0032051 k( 270) = ( 0.4666667 -0.7044721 0.4660743), wk = 0.0032051 k( 271) = ( 0.4555556 -0.6876990 0.4549773), wk = 0.0032051 k( 272) = ( 0.4444444 -0.6709258 0.4438803), wk = 0.0032051 k( 273) = ( 0.4333333 -0.6541527 0.4327833), wk = 0.0032051 k( 274) = ( 0.4222222 -0.6373795 0.4216863), wk = 0.0032051 k( 275) = ( 0.4111111 -0.6206064 0.4105893), wk = 0.0032051 k( 276) = ( 0.4000000 -0.6038332 0.3994923), wk = 0.0032051 k( 277) = ( 0.3888889 -0.5870601 0.3883953), wk = 0.0032051 k( 278) = ( 0.3777778 -0.5702870 0.3772983), wk = 0.0032051 k( 279) = ( 0.3666667 -0.5535138 0.3662012), wk = 0.0032051 k( 280) = ( 0.3555556 -0.5367407 0.3551042), wk = 0.0032051 k( 281) = ( 0.3444444 -0.5199675 0.3440072), wk = 0.0032051 k( 282) = ( 0.3333333 -0.5031944 0.3329102), wk = 0.0032051 k( 283) = ( 0.3222222 -0.4864212 0.3218132), wk = 0.0032051 k( 284) = ( 0.3111111 -0.4696481 0.3107162), wk = 0.0032051 k( 285) = ( 0.3000000 -0.4528749 0.2996192), wk = 0.0032051 k( 286) = ( 0.2888889 -0.4361018 0.2885222), wk = 0.0032051 k( 287) = ( 0.2777778 -0.4193286 0.2774252), wk = 0.0032051 k( 288) = ( 0.2666667 -0.4025555 0.2663282), wk = 0.0032051 k( 289) = ( 0.2555556 -0.3857824 0.2552312), wk = 0.0032051 k( 290) = ( 0.2444444 -0.3690092 0.2441342), wk = 0.0032051 k( 291) = ( 0.2333333 -0.3522361 0.2330372), wk = 0.0032051 k( 292) = ( 0.2222222 -0.3354629 0.2219401), wk = 0.0032051 k( 293) = ( 0.2111111 -0.3186898 0.2108431), wk = 0.0032051 k( 294) = ( 0.2000000 -0.3019166 0.1997461), wk = 0.0032051 k( 295) = ( 0.1888889 -0.2851435 0.1886491), wk = 0.0032051 k( 296) = ( 0.1777778 -0.2683703 0.1775521), wk = 0.0032051 k( 297) = ( 0.1666667 -0.2515972 0.1664551), wk = 0.0032051 k( 298) = ( 0.1555556 -0.2348240 0.1553581), wk = 0.0032051 k( 299) = ( 0.1444444 -0.2180509 0.1442611), wk = 0.0032051 k( 300) = ( 0.1333333 -0.2012777 0.1331641), wk = 0.0032051 k( 301) = ( 0.1222222 -0.1845046 0.1220671), wk = 0.0032051 k( 302) = ( 0.1111111 -0.1677315 0.1109701), wk = 0.0032051 k( 303) = ( 0.1000000 -0.1509583 0.0998731), wk = 0.0032051 k( 304) = ( 0.0888889 -0.1341852 0.0887761), wk = 0.0032051 k( 305) = ( 0.0777778 -0.1174120 0.0776791), wk = 0.0032051 k( 306) = ( 0.0666667 -0.1006389 0.0665820), wk = 0.0032051 k( 307) = ( 0.0555556 -0.0838657 0.0554850), wk = 0.0032051 k( 308) = ( 0.0444444 -0.0670926 0.0443880), wk = 0.0032051 k( 309) = ( 0.0333333 -0.0503194 0.0332910), wk = 0.0032051 k( 310) = ( 0.0222222 -0.0335463 0.0221940), wk = 0.0032051 k( 311) = ( 0.0111111 -0.0167731 0.0110970), wk = 0.0032051 k( 312) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0032051 k( 3) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0032051 k( 4) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0032051 k( 5) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0032051 k( 6) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0032051 k( 7) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0032051 k( 8) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0032051 k( 9) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0032051 k( 10) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0032051 k( 11) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0032051 k( 12) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0032051 k( 13) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0032051 k( 14) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0032051 k( 15) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0032051 k( 16) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0032051 k( 17) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0032051 k( 18) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0032051 k( 19) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0032051 k( 20) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0032051 k( 21) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0032051 k( 22) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0032051 k( 23) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0032051 k( 24) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 26) = ( 0.5019082 0.5019082 0.0218861), wk = 0.0032051 k( 27) = ( 0.5038164 0.5038164 0.0437722), wk = 0.0032051 k( 28) = ( 0.5057246 0.5057246 0.0656584), wk = 0.0032051 k( 29) = ( 0.5076327 0.5076327 0.0875445), wk = 0.0032051 k( 30) = ( 0.5095409 0.5095409 0.1094306), wk = 0.0032051 k( 31) = ( 0.5114491 0.5114491 0.1313168), wk = 0.0032051 k( 32) = ( 0.5133573 0.5133573 0.1532029), wk = 0.0032051 k( 33) = ( 0.5152655 0.5152655 0.1750890), wk = 0.0032051 k( 34) = ( 0.5171737 0.5171737 0.1969751), wk = 0.0032051 k( 35) = ( 0.5190819 0.5190819 0.2188613), wk = 0.0032051 k( 36) = ( 0.5209901 0.5209901 0.2407474), wk = 0.0032051 k( 37) = ( 0.5228983 0.5228983 0.2626335), wk = 0.0032051 k( 38) = ( 0.5248065 0.5248065 0.2845197), wk = 0.0032051 k( 39) = ( 0.5267146 0.5267146 0.3064058), wk = 0.0032051 k( 40) = ( 0.5286228 0.5286228 0.3282919), wk = 0.0032051 k( 41) = ( 0.5305310 0.5305310 0.3501780), wk = 0.0032051 k( 42) = ( 0.5324392 0.5324392 0.3720642), wk = 0.0032051 k( 43) = ( 0.5343474 0.5343474 0.3939503), wk = 0.0032051 k( 44) = ( 0.5362556 0.5362556 0.4158364), wk = 0.0032051 k( 45) = ( 0.5381638 0.5381638 0.4377225), wk = 0.0032051 k( 46) = ( 0.5400719 0.5400719 0.4596087), wk = 0.0032051 k( 47) = ( 0.5400719 0.5400719 0.4596087), wk = 0.0032051 k( 48) = ( 0.5267146 0.5267146 0.4730724), wk = 0.0032051 k( 49) = ( 0.5133573 0.5133573 0.4865362), wk = 0.0032051 k( 50) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 51) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 52) = ( 0.5066038 0.4933962 0.5000000), wk = 0.0032051 k( 53) = ( 0.5132076 0.4867924 0.5000000), wk = 0.0032051 k( 54) = ( 0.5198114 0.4801886 0.5000000), wk = 0.0032051 k( 55) = ( 0.5264152 0.4735848 0.5000000), wk = 0.0032051 k( 56) = ( 0.5330190 0.4669810 0.5000000), wk = 0.0032051 k( 57) = ( 0.5396228 0.4603772 0.5000000), wk = 0.0032051 k( 58) = ( 0.5462267 0.4537733 0.5000000), wk = 0.0032051 k( 59) = ( 0.5528305 0.4471695 0.5000000), wk = 0.0032051 k( 60) = ( 0.5594343 0.4405657 0.5000000), wk = 0.0032051 k( 61) = ( 0.5660381 0.4339619 0.5000000), wk = 0.0032051 k( 62) = ( 0.5726419 0.4273581 0.5000000), wk = 0.0032051 k( 63) = ( 0.5792457 0.4207543 0.5000000), wk = 0.0032051 k( 64) = ( 0.5858495 0.4141505 0.5000000), wk = 0.0032051 k( 65) = ( 0.5924533 0.4075467 0.5000000), wk = 0.0032051 k( 66) = ( 0.5990571 0.4009429 0.5000000), wk = 0.0032051 k( 67) = ( 0.6056609 0.3943391 0.5000000), wk = 0.0032051 k( 68) = ( 0.6122647 0.3877353 0.5000000), wk = 0.0032051 k( 69) = ( 0.6188685 0.3811314 0.5000000), wk = 0.0032051 k( 70) = ( 0.6254724 0.3745276 0.5000000), wk = 0.0032051 k( 71) = ( 0.6320762 0.3679238 0.5000000), wk = 0.0032051 k( 72) = ( 0.6386800 0.3613200 0.5000000), wk = 0.0032051 k( 73) = ( 0.6452838 0.3547162 0.5000000), wk = 0.0032051 k( 74) = ( 0.6518876 0.3481124 0.5000000), wk = 0.0032051 k( 75) = ( 0.6584914 0.3415086 0.5000000), wk = 0.0032051 k( 76) = ( 0.6650952 0.3349048 0.5000000), wk = 0.0032051 k( 77) = ( 0.6716990 0.3283010 0.5000000), wk = 0.0032051 k( 78) = ( 0.6783028 0.3216972 0.5000000), wk = 0.0032051 k( 79) = ( 0.6849066 0.3150934 0.5000000), wk = 0.0032051 k( 80) = ( 0.6915104 0.3084896 0.5000000), wk = 0.0032051 k( 81) = ( 0.6981143 0.3018857 0.5000000), wk = 0.0032051 k( 82) = ( 0.7047181 0.2952819 0.5000000), wk = 0.0032051 k( 83) = ( 0.7113219 0.2886781 0.5000000), wk = 0.0032051 k( 84) = ( 0.7179257 0.2820743 0.5000000), wk = 0.0032051 k( 85) = ( 0.7245295 0.2754705 0.5000000), wk = 0.0032051 k( 86) = ( 0.7311333 0.2688667 0.5000000), wk = 0.0032051 k( 87) = ( 0.2688667 -0.2688667 0.5000000), wk = 0.0032051 k( 88) = ( 0.2621450 -0.2621450 0.5000000), wk = 0.0032051 k( 89) = ( 0.2554234 -0.2554234 0.5000000), wk = 0.0032051 k( 90) = ( 0.2487017 -0.2487017 0.5000000), wk = 0.0032051 k( 91) = ( 0.2419800 -0.2419800 0.5000000), wk = 0.0032051 k( 92) = ( 0.2352584 -0.2352584 0.5000000), wk = 0.0032051 k( 93) = ( 0.2285367 -0.2285367 0.5000000), wk = 0.0032051 k( 94) = ( 0.2218150 -0.2218150 0.5000000), wk = 0.0032051 k( 95) = ( 0.2150934 -0.2150934 0.5000000), wk = 0.0032051 k( 96) = ( 0.2083717 -0.2083717 0.5000000), wk = 0.0032051 k( 97) = ( 0.2016500 -0.2016500 0.5000000), wk = 0.0032051 k( 98) = ( 0.1949284 -0.1949284 0.5000000), wk = 0.0032051 k( 99) = ( 0.1882067 -0.1882067 0.5000000), wk = 0.0032051 k( 100) = ( 0.1814850 -0.1814850 0.5000000), wk = 0.0032051 k( 101) = ( 0.1747634 -0.1747634 0.5000000), wk = 0.0032051 k( 102) = ( 0.1680417 -0.1680417 0.5000000), wk = 0.0032051 k( 103) = ( 0.1613200 -0.1613200 0.5000000), wk = 0.0032051 k( 104) = ( 0.1545984 -0.1545984 0.5000000), wk = 0.0032051 k( 105) = ( 0.1478767 -0.1478767 0.5000000), wk = 0.0032051 k( 106) = ( 0.1411550 -0.1411550 0.5000000), wk = 0.0032051 k( 107) = ( 0.1344334 -0.1344334 0.5000000), wk = 0.0032051 k( 108) = ( 0.1277117 -0.1277117 0.5000000), wk = 0.0032051 k( 109) = ( 0.1209900 -0.1209900 0.5000000), wk = 0.0032051 k( 110) = ( 0.1142684 -0.1142683 0.5000000), wk = 0.0032051 k( 111) = ( 0.1075467 -0.1075467 0.5000000), wk = 0.0032051 k( 112) = ( 0.1008250 -0.1008250 0.5000000), wk = 0.0032051 k( 113) = ( 0.0941034 -0.0941034 0.5000000), wk = 0.0032051 k( 114) = ( 0.0873817 -0.0873817 0.5000000), wk = 0.0032051 k( 115) = ( 0.0806600 -0.0806600 0.5000000), wk = 0.0032051 k( 116) = ( 0.0739383 -0.0739383 0.5000000), wk = 0.0032051 k( 117) = ( 0.0672167 -0.0672167 0.5000000), wk = 0.0032051 k( 118) = ( 0.0604950 -0.0604950 0.5000000), wk = 0.0032051 k( 119) = ( 0.0537733 -0.0537733 0.5000000), wk = 0.0032051 k( 120) = ( 0.0470517 -0.0470517 0.5000000), wk = 0.0032051 k( 121) = ( 0.0403300 -0.0403300 0.5000000), wk = 0.0032051 k( 122) = ( 0.0336083 -0.0336083 0.5000000), wk = 0.0032051 k( 123) = ( 0.0268867 -0.0268867 0.5000000), wk = 0.0032051 k( 124) = ( 0.0201650 -0.0201650 0.5000000), wk = 0.0032051 k( 125) = ( 0.0134433 -0.0134433 0.5000000), wk = 0.0032051 k( 126) = ( 0.0067217 -0.0067217 0.5000000), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 129) = ( 0.0219013 0.0219013 0.5019234), wk = 0.0032051 k( 130) = ( 0.0438027 0.0438027 0.5038468), wk = 0.0032051 k( 131) = ( 0.0657040 0.0657040 0.5057702), wk = 0.0032051 k( 132) = ( 0.0876053 0.0876053 0.5076936), wk = 0.0032051 k( 133) = ( 0.1095067 0.1095067 0.5096170), wk = 0.0032051 k( 134) = ( 0.1314080 0.1314080 0.5115404), wk = 0.0032051 k( 135) = ( 0.1533094 0.1533093 0.5134638), wk = 0.0032051 k( 136) = ( 0.1752107 0.1752107 0.5153872), wk = 0.0032051 k( 137) = ( 0.1971120 0.1971120 0.5173106), wk = 0.0032051 k( 138) = ( 0.2190134 0.2190134 0.5192340), wk = 0.0032051 k( 139) = ( 0.2409147 0.2409147 0.5211574), wk = 0.0032051 k( 140) = ( 0.2628160 0.2628160 0.5230808), wk = 0.0032051 k( 141) = ( 0.2847174 0.2847174 0.5250042), wk = 0.0032051 k( 142) = ( 0.3066187 0.3066187 0.5269276), wk = 0.0032051 k( 143) = ( 0.3285200 0.3285200 0.5288510), wk = 0.0032051 k( 144) = ( 0.3504214 0.3504214 0.5307743), wk = 0.0032051 k( 145) = ( 0.3723227 0.3723227 0.5326978), wk = 0.0032051 k( 146) = ( 0.3942240 0.3942240 0.5346212), wk = 0.0032051 k( 147) = ( 0.4161254 0.4161254 0.5365445), wk = 0.0032051 k( 148) = ( 0.4380267 0.4380267 0.5384679), wk = 0.0032051 k( 149) = ( 0.4599280 0.4599280 0.5403913), wk = 0.0032051 k( 150) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 151) = ( 0.5066808 0.4933192 0.0000000), wk = 0.0032051 k( 152) = ( 0.5133617 0.4866383 -0.0000000), wk = 0.0032051 k( 153) = ( 0.5200425 0.4799575 -0.0000000), wk = 0.0032051 k( 154) = ( 0.5267234 0.4732766 0.0000000), wk = 0.0032051 k( 155) = ( 0.5334042 0.4665958 0.0000000), wk = 0.0032051 k( 156) = ( 0.5400850 0.4599149 -0.0000000), wk = 0.0032051 k( 157) = ( 0.5467659 0.4532341 0.0000000), wk = 0.0032051 k( 158) = ( 0.5534467 0.4465533 -0.0000000), wk = 0.0032051 k( 159) = ( 0.5601276 0.4398724 0.0000000), wk = 0.0032051 k( 160) = ( 0.5668084 0.4331916 -0.0000000), wk = 0.0032051 k( 161) = ( 0.5734892 0.4265107 -0.0000000), wk = 0.0032051 k( 162) = ( 0.5801701 0.4198299 -0.0000000), wk = 0.0032051 k( 163) = ( 0.5868509 0.4131491 -0.0000000), wk = 0.0032051 k( 164) = ( 0.5935318 0.4064682 -0.0000000), wk = 0.0032051 k( 165) = ( 0.6002126 0.3997874 0.0000000), wk = 0.0032051 k( 166) = ( 0.6068934 0.3931065 0.0000000), wk = 0.0032051 k( 167) = ( 0.6135743 0.3864257 -0.0000000), wk = 0.0032051 k( 168) = ( 0.6202551 0.3797449 -0.0000000), wk = 0.0032051 k( 169) = ( 0.6269360 0.3730640 0.0000000), wk = 0.0032051 k( 170) = ( 0.6336168 0.3663832 -0.0000000), wk = 0.0032051 k( 171) = ( 0.6402977 0.3597023 -0.0000000), wk = 0.0032051 k( 172) = ( 0.6469785 0.3530215 -0.0000000), wk = 0.0032051 k( 173) = ( 0.6536593 0.3463407 -0.0000000), wk = 0.0032051 k( 174) = ( 0.6603402 0.3396598 -0.0000000), wk = 0.0032051 k( 175) = ( 0.6670210 0.3329790 -0.0000000), wk = 0.0032051 k( 176) = ( 0.6737019 0.3262981 -0.0000000), wk = 0.0032051 k( 177) = ( 0.6803827 0.3196173 -0.0000000), wk = 0.0032051 k( 178) = ( 0.6870635 0.3129364 -0.0000000), wk = 0.0032051 k( 179) = ( 0.6937444 0.3062556 -0.0000000), wk = 0.0032051 k( 180) = ( 0.7004252 0.2995748 0.0000000), wk = 0.0032051 k( 181) = ( 0.7071061 0.2928939 -0.0000000), wk = 0.0032051 k( 182) = ( 0.7137869 0.2862131 -0.0000000), wk = 0.0032051 k( 183) = ( 0.7204677 0.2795323 -0.0000000), wk = 0.0032051 k( 184) = ( 0.7271486 0.2728514 0.0000000), wk = 0.0032051 k( 185) = ( 0.2728514 -0.2728514 -0.0000000), wk = 0.0032051 k( 186) = ( 0.2661965 -0.2661965 0.0000000), wk = 0.0032051 k( 187) = ( 0.2595416 -0.2595416 0.0000000), wk = 0.0032051 k( 188) = ( 0.2528867 -0.2528867 -0.0000000), wk = 0.0032051 k( 189) = ( 0.2462318 -0.2462318 -0.0000000), wk = 0.0032051 k( 190) = ( 0.2395769 -0.2395768 -0.0000000), wk = 0.0032051 k( 191) = ( 0.2329219 -0.2329219 -0.0000000), wk = 0.0032051 k( 192) = ( 0.2262670 -0.2262670 -0.0000000), wk = 0.0032051 k( 193) = ( 0.2196121 -0.2196121 0.0000000), wk = 0.0032051 k( 194) = ( 0.2129572 -0.2129572 -0.0000000), wk = 0.0032051 k( 195) = ( 0.2063023 -0.2063023 0.0000000), wk = 0.0032051 k( 196) = ( 0.1996474 -0.1996474 -0.0000000), wk = 0.0032051 k( 197) = ( 0.1929925 -0.1929925 -0.0000000), wk = 0.0032051 k( 198) = ( 0.1863375 -0.1863375 -0.0000000), wk = 0.0032051 k( 199) = ( 0.1796826 -0.1796826 -0.0000000), wk = 0.0032051 k( 200) = ( 0.1730277 -0.1730277 0.0000000), wk = 0.0032051 k( 201) = ( 0.1663728 -0.1663728 0.0000000), wk = 0.0032051 k( 202) = ( 0.1597179 -0.1597179 -0.0000000), wk = 0.0032051 k( 203) = ( 0.1530630 -0.1530630 0.0000000), wk = 0.0032051 k( 204) = ( 0.1464081 -0.1464081 -0.0000000), wk = 0.0032051 k( 205) = ( 0.1397532 -0.1397532 -0.0000000), wk = 0.0032051 k( 206) = ( 0.1330983 -0.1330983 0.0000000), wk = 0.0032051 k( 207) = ( 0.1264433 -0.1264433 -0.0000000), wk = 0.0032051 k( 208) = ( 0.1197884 -0.1197884 0.0000000), wk = 0.0032051 k( 209) = ( 0.1131335 -0.1131335 -0.0000000), wk = 0.0032051 k( 210) = ( 0.1064786 -0.1064786 -0.0000000), wk = 0.0032051 k( 211) = ( 0.0998237 -0.0998237 -0.0000000), wk = 0.0032051 k( 212) = ( 0.0931688 -0.0931688 -0.0000000), wk = 0.0032051 k( 213) = ( 0.0865139 -0.0865139 0.0000000), wk = 0.0032051 k( 214) = ( 0.0798589 -0.0798589 -0.0000000), wk = 0.0032051 k( 215) = ( 0.0732040 -0.0732040 0.0000000), wk = 0.0032051 k( 216) = ( 0.0665491 -0.0665491 -0.0000000), wk = 0.0032051 k( 217) = ( 0.0598942 -0.0598942 0.0000000), wk = 0.0032051 k( 218) = ( 0.0532393 -0.0532393 -0.0000000), wk = 0.0032051 k( 219) = ( 0.0465844 -0.0465844 -0.0000000), wk = 0.0032051 k( 220) = ( 0.0399295 -0.0399295 -0.0000000), wk = 0.0032051 k( 221) = ( 0.0332746 -0.0332746 -0.0000000), wk = 0.0032051 k( 222) = ( 0.0266197 -0.0266197 -0.0000000), wk = 0.0032051 k( 223) = ( 0.0199647 -0.0199647 -0.0000000), wk = 0.0032051 k( 224) = ( 0.0133098 -0.0133098 -0.0000000), wk = 0.0032051 k( 225) = ( 0.0066549 -0.0066549 -0.0000000), wk = 0.0032051 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 228) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0032051 k( 229) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0032051 k( 230) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0032051 k( 231) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0032051 k( 232) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0032051 k( 233) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0032051 k( 234) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0032051 k( 235) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0032051 k( 236) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0032051 k( 237) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0032051 k( 238) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0032051 k( 239) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0032051 k( 240) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0032051 k( 241) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0032051 k( 242) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0032051 k( 243) = ( 0.2051282 0.0000000 -0.0000000), wk = 0.0032051 k( 244) = ( 0.2179487 -0.0000000 0.0000000), wk = 0.0032051 k( 245) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0032051 k( 246) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0032051 k( 247) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0032051 k( 248) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0032051 k( 249) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0032051 k( 250) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0032051 k( 251) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0032051 k( 252) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0032051 k( 253) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0032051 k( 254) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0032051 k( 255) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0032051 k( 256) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0032051 k( 257) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0032051 k( 258) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0032051 k( 259) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0032051 k( 260) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0032051 k( 261) = ( 0.4358974 -0.0000000 0.0000000), wk = 0.0032051 k( 262) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0032051 k( 263) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0032051 k( 264) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0032051 k( 265) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0032051 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032051 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 268) = ( 0.4888889 -0.0000000 0.4888889), wk = 0.0032051 k( 269) = ( 0.4777778 -0.0000000 0.4777778), wk = 0.0032051 k( 270) = ( 0.4666667 0.0000000 0.4666667), wk = 0.0032051 k( 271) = ( 0.4555556 -0.0000000 0.4555556), wk = 0.0032051 k( 272) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0032051 k( 273) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0032051 k( 274) = ( 0.4222222 -0.0000000 0.4222222), wk = 0.0032051 k( 275) = ( 0.4111111 -0.0000000 0.4111111), wk = 0.0032051 k( 276) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0032051 k( 277) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0032051 k( 278) = ( 0.3777778 0.0000000 0.3777778), wk = 0.0032051 k( 279) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0032051 k( 280) = ( 0.3555556 0.0000000 0.3555556), wk = 0.0032051 k( 281) = ( 0.3444444 0.0000000 0.3444444), wk = 0.0032051 k( 282) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0032051 k( 283) = ( 0.3222222 -0.0000000 0.3222222), wk = 0.0032051 k( 284) = ( 0.3111111 -0.0000000 0.3111111), wk = 0.0032051 k( 285) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0032051 k( 286) = ( 0.2888889 -0.0000000 0.2888889), wk = 0.0032051 k( 287) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0032051 k( 288) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0032051 k( 289) = ( 0.2555556 -0.0000000 0.2555556), wk = 0.0032051 k( 290) = ( 0.2444444 0.0000000 0.2444444), wk = 0.0032051 k( 291) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0032051 k( 292) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0032051 k( 293) = ( 0.2111111 -0.0000000 0.2111111), wk = 0.0032051 k( 294) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0032051 k( 295) = ( 0.1888889 0.0000000 0.1888889), wk = 0.0032051 k( 296) = ( 0.1777778 0.0000000 0.1777778), wk = 0.0032051 k( 297) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0032051 k( 298) = ( 0.1555556 0.0000000 0.1555556), wk = 0.0032051 k( 299) = ( 0.1444444 -0.0000000 0.1444444), wk = 0.0032051 k( 300) = ( 0.1333333 -0.0000000 0.1333333), wk = 0.0032051 k( 301) = ( 0.1222222 0.0000000 0.1222222), wk = 0.0032051 k( 302) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0032051 k( 303) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0032051 k( 304) = ( 0.0888889 0.0000000 0.0888889), wk = 0.0032051 k( 305) = ( 0.0777778 0.0000000 0.0777778), wk = 0.0032051 k( 306) = ( 0.0666667 -0.0000000 0.0666667), wk = 0.0032051 k( 307) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0032051 k( 308) = ( 0.0444444 -0.0000000 0.0444444), wk = 0.0032051 k( 309) = ( 0.0333333 -0.0000000 0.0333333), wk = 0.0032051 k( 310) = ( 0.0222222 -0.0000000 0.0222222), wk = 0.0032051 k( 311) = ( 0.0111111 -0.0000000 0.0111111), wk = 0.0032051 k( 312) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 Dense grid: 110435 G-vectors FFT dimensions: ( 75, 75, 72) Smooth grid: 50033 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 188, 46) NL pseudopotentials 0.29 Mb ( 94, 204) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.01 Mb ( 1537) G-vector shells 0.01 Mb ( 1502) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 188, 184) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.29 Mb ( 204, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./KSb2.save/charge-density.dat Starting wfc are 64 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 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 17.0 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.5 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 22.8 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.1 secs Computing kpt #: 32 total cpu time spent up to now is 24.7 secs Computing kpt #: 33 total cpu time spent up to now is 25.3 secs Computing kpt #: 34 total cpu time spent up to now is 25.9 secs Computing kpt #: 35 total cpu time spent up to now is 26.6 secs Computing kpt #: 36 total cpu time spent up to now is 27.2 secs Computing kpt #: 37 total cpu time spent up to now is 27.8 secs Computing kpt #: 38 total cpu time spent up to now is 28.5 secs Computing kpt #: 39 total cpu time spent up to now is 29.1 secs Computing kpt #: 40 total cpu time spent up to now is 29.7 secs Computing kpt #: 41 total cpu time spent up to now is 30.3 secs Computing kpt #: 42 total cpu time spent up to now is 31.0 secs Computing kpt #: 43 total cpu time spent up to now is 31.6 secs Computing kpt #: 44 total cpu time spent up to now is 32.2 secs Computing kpt #: 45 total cpu time spent up to now is 32.9 secs Computing kpt #: 46 total cpu time spent up to now is 33.5 secs Computing kpt #: 47 total cpu time spent up to now is 34.1 secs Computing kpt #: 48 total cpu time spent up to now is 34.8 secs Computing kpt #: 49 total cpu time spent up to now is 35.4 secs Computing kpt #: 50 total cpu time spent up to now is 36.0 secs Computing kpt #: 51 total cpu time spent up to now is 36.7 secs Computing kpt #: 52 total cpu time spent up to now is 37.3 secs Computing kpt #: 53 total cpu time spent up to now is 37.9 secs Computing kpt #: 54 total cpu time spent up to now is 38.6 secs Computing kpt #: 55 total cpu time spent up to now is 39.2 secs Computing kpt #: 56 total cpu time spent up to now is 39.8 secs Computing kpt #: 57 total cpu time spent up to now is 40.5 secs Computing kpt #: 58 total cpu time spent up to now is 41.1 secs Computing kpt #: 59 total cpu time spent up to now is 41.8 secs Computing kpt #: 60 total cpu time spent up to now is 42.4 secs Computing kpt #: 61 total cpu time spent up to now is 43.1 secs Computing kpt #: 62 total cpu time spent up to now is 43.8 secs Computing kpt #: 63 total cpu time spent up to now is 44.4 secs Computing kpt #: 64 total cpu time spent up to now is 45.0 secs Computing kpt #: 65 total cpu time spent up to now is 45.6 secs Computing kpt #: 66 total cpu time spent up to now is 46.3 secs Computing kpt #: 67 total cpu time spent up to now is 46.9 secs Computing kpt #: 68 total cpu time spent up to now is 47.6 secs Computing kpt #: 69 total cpu time spent up to now is 48.3 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.5 secs Computing kpt #: 72 total cpu time spent up to now is 50.2 secs Computing kpt #: 73 total cpu time spent up to now is 50.8 secs Computing kpt #: 74 total cpu time spent up to now is 51.4 secs Computing kpt #: 75 total cpu time spent up to now is 52.0 secs Computing kpt #: 76 total cpu time spent up to now is 52.7 secs Computing kpt #: 77 total cpu time spent up to now is 53.3 secs Computing kpt #: 78 total cpu time spent up to now is 54.0 secs Computing kpt #: 79 total cpu time spent up to now is 54.8 secs Computing kpt #: 80 total cpu time spent up to now is 55.5 secs Computing kpt #: 81 total cpu time spent up to now is 56.3 secs Computing kpt #: 82 total cpu time spent up to now is 57.0 secs Computing kpt #: 83 total cpu time spent up to now is 57.8 secs Computing kpt #: 84 total cpu time spent up to now is 58.5 secs Computing kpt #: 85 total cpu time spent up to now is 59.2 secs Computing kpt #: 86 total cpu time spent up to now is 59.8 secs Computing kpt #: 87 total cpu time spent up to now is 60.5 secs Computing kpt #: 88 total cpu time spent up to now is 61.1 secs Computing kpt #: 89 total cpu time spent up to now is 61.7 secs Computing kpt #: 90 total cpu time spent up to now is 62.3 secs Computing kpt #: 91 total cpu time spent up to now is 62.9 secs Computing kpt #: 92 total cpu time spent up to now is 63.6 secs Computing kpt #: 93 total cpu time spent up to now is 64.2 secs Computing kpt #: 94 total cpu time spent up to now is 64.8 secs Computing kpt #: 95 total cpu time spent up to now is 65.4 secs Computing kpt #: 96 total cpu time spent up to now is 66.0 secs Computing kpt #: 97 total cpu time spent up to now is 66.6 secs Computing kpt #: 98 total cpu time spent up to now is 67.2 secs Computing kpt #: 99 total cpu time spent up to now is 67.8 secs Computing kpt #: 100 total cpu time spent up to now is 68.4 secs Computing kpt #: 101 total cpu time spent up to now is 69.0 secs Computing kpt #: 102 total cpu time spent up to now is 69.5 secs Computing kpt #: 103 total cpu time spent up to now is 70.1 secs Computing kpt #: 104 total cpu time spent up to now is 70.7 secs Computing kpt #: 105 total cpu time spent up to now is 71.4 secs Computing kpt #: 106 total cpu time spent up to now is 72.0 secs Computing kpt #: 107 total cpu time spent up to now is 72.6 secs Computing kpt #: 108 total cpu time spent up to now is 73.3 secs Computing kpt #: 109 total cpu time spent up to now is 74.0 secs Computing kpt #: 110 total cpu time spent up to now is 74.8 secs Computing kpt #: 111 total cpu time spent up to now is 75.4 secs Computing kpt #: 112 total cpu time spent up to now is 76.0 secs Computing kpt #: 113 total cpu time spent up to now is 76.7 secs Computing kpt #: 114 total cpu time spent up to now is 77.3 secs Computing kpt #: 115 total cpu time spent up to now is 77.9 secs Computing kpt #: 116 total cpu time spent up to now is 78.5 secs Computing kpt #: 117 total cpu time spent up to now is 79.1 secs Computing kpt #: 118 total cpu time spent up to now is 79.8 secs Computing kpt #: 119 total cpu time spent up to now is 80.4 secs Computing kpt #: 120 total cpu time spent up to now is 81.1 secs Computing kpt #: 121 total cpu time spent up to now is 81.7 secs Computing kpt #: 122 total cpu time spent up to now is 82.4 secs Computing kpt #: 123 total cpu time spent up to now is 83.1 secs Computing kpt #: 124 total cpu time spent up to now is 83.7 secs Computing kpt #: 125 total cpu time spent up to now is 84.4 secs Computing kpt #: 126 total cpu time spent up to now is 85.0 secs Computing kpt #: 127 total cpu time spent up to now is 85.7 secs Computing kpt #: 128 total cpu time spent up to now is 86.3 secs Computing kpt #: 129 total cpu time spent up to now is 87.0 secs Computing kpt #: 130 total cpu time spent up to now is 87.6 secs Computing kpt #: 131 total cpu time spent up to now is 88.3 secs Computing kpt #: 132 total cpu time spent up to now is 88.9 secs Computing kpt #: 133 total cpu time spent up to now is 89.6 secs Computing kpt #: 134 total cpu time spent up to now is 90.2 secs Computing kpt #: 135 total cpu time spent up to now is 90.8 secs Computing kpt #: 136 total cpu time spent up to now is 91.5 secs Computing kpt #: 137 total cpu time spent up to now is 92.1 secs Computing kpt #: 138 total cpu time spent up to now is 92.7 secs Computing kpt #: 139 total cpu time spent up to now is 93.4 secs Computing kpt #: 140 total cpu time spent up to now is 94.0 secs Computing kpt #: 141 total cpu time spent up to now is 94.7 secs Computing kpt #: 142 total cpu time spent up to now is 95.3 secs Computing kpt #: 143 total cpu time spent up to now is 95.9 secs Computing kpt #: 144 total cpu time spent up to now is 96.6 secs Computing kpt #: 145 total cpu time spent up to now is 97.2 secs Computing kpt #: 146 total cpu time spent up to now is 97.9 secs Computing kpt #: 147 total cpu time spent up to now is 98.5 secs Computing kpt #: 148 total cpu time spent up to now is 99.1 secs Computing kpt #: 149 total cpu time spent up to now is 99.8 secs Computing kpt #: 150 total cpu time spent up to now is 100.4 secs Computing kpt #: 151 total cpu time spent up to now is 101.0 secs Computing kpt #: 152 total cpu time spent up to now is 101.7 secs Computing kpt #: 153 total cpu time spent up to now is 102.3 secs Computing kpt #: 154 total cpu time spent up to now is 103.0 secs Computing kpt #: 155 total cpu time spent up to now is 103.6 secs Computing kpt #: 156 total cpu time spent up to now is 104.2 secs Computing kpt #: 157 total cpu time spent up to now is 104.9 secs Computing kpt #: 158 total cpu time spent up to now is 105.5 secs Computing kpt #: 159 total cpu time spent up to now is 106.2 secs Computing kpt #: 160 total cpu time spent up to now is 106.8 secs Computing kpt #: 161 total cpu time spent up to now is 107.5 secs Computing kpt #: 162 total cpu time spent up to now is 108.1 secs Computing kpt #: 163 total cpu time spent up to now is 108.7 secs Computing kpt #: 164 total cpu time spent up to now is 109.4 secs Computing kpt #: 165 total cpu time spent up to now is 110.1 secs Computing kpt #: 166 total cpu time spent up to now is 110.7 secs Computing kpt #: 167 total cpu time spent up to now is 111.5 secs Computing kpt #: 168 total cpu time spent up to now is 112.2 secs Computing kpt #: 169 total cpu time spent up to now is 112.8 secs Computing kpt #: 170 total cpu time spent up to now is 113.5 secs Computing kpt #: 171 total cpu time spent up to now is 114.1 secs Computing kpt #: 172 total cpu time spent up to now is 114.7 secs Computing kpt #: 173 total cpu time spent up to now is 115.4 secs Computing kpt #: 174 total cpu time spent up to now is 116.0 secs Computing kpt #: 175 total cpu time spent up to now is 116.7 secs Computing kpt #: 176 total cpu time spent up to now is 117.3 secs Computing kpt #: 177 total cpu time spent up to now is 118.0 secs Computing kpt #: 178 total cpu time spent up to now is 118.6 secs Computing kpt #: 179 total cpu time spent up to now is 119.3 secs Computing kpt #: 180 total cpu time spent up to now is 120.0 secs Computing kpt #: 181 total cpu time spent up to now is 120.7 secs Computing kpt #: 182 total cpu time spent up to now is 121.5 secs Computing kpt #: 183 total cpu time spent up to now is 122.2 secs Computing kpt #: 184 total cpu time spent up to now is 123.0 secs Computing kpt #: 185 total cpu time spent up to now is 123.7 secs Computing kpt #: 186 total cpu time spent up to now is 124.5 secs Computing kpt #: 187 total cpu time spent up to now is 125.2 secs Computing kpt #: 188 total cpu time spent up to now is 125.9 secs Computing kpt #: 189 total cpu time spent up to now is 126.5 secs Computing kpt #: 190 total cpu time spent up to now is 127.1 secs Computing kpt #: 191 total cpu time spent up to now is 127.7 secs Computing kpt #: 192 total cpu time spent up to now is 128.3 secs Computing kpt #: 193 total cpu time spent up to now is 128.9 secs Computing kpt #: 194 total cpu time spent up to now is 129.5 secs Computing kpt #: 195 total cpu time spent up to now is 130.2 secs Computing kpt #: 196 total cpu time spent up to now is 130.8 secs Computing kpt #: 197 total cpu time spent up to now is 131.4 secs Computing kpt #: 198 total cpu time spent up to now is 132.0 secs Computing kpt #: 199 total cpu time spent up to now is 132.6 secs Computing kpt #: 200 total cpu time spent up to now is 133.3 secs Computing kpt #: 201 total cpu time spent up to now is 134.0 secs Computing kpt #: 202 total cpu time spent up to now is 134.6 secs Computing kpt #: 203 total cpu time spent up to now is 135.4 secs Computing kpt #: 204 total cpu time spent up to now is 136.1 secs Computing kpt #: 205 total cpu time spent up to now is 136.9 secs Computing kpt #: 206 total cpu time spent up to now is 137.7 secs Computing kpt #: 207 total cpu time spent up to now is 138.4 secs Computing kpt #: 208 total cpu time spent up to now is 139.1 secs Computing kpt #: 209 total cpu time spent up to now is 139.7 secs Computing kpt #: 210 total cpu time spent up to now is 140.4 secs Computing kpt #: 211 total cpu time spent up to now is 141.0 secs Computing kpt #: 212 total cpu time spent up to now is 141.6 secs Computing kpt #: 213 total cpu time spent up to now is 142.2 secs Computing kpt #: 214 total cpu time spent up to now is 142.8 secs Computing kpt #: 215 total cpu time spent up to now is 143.3 secs Computing kpt #: 216 total cpu time spent up to now is 143.9 secs Computing kpt #: 217 total cpu time spent up to now is 144.6 secs Computing kpt #: 218 total cpu time spent up to now is 145.2 secs Computing kpt #: 219 total cpu time spent up to now is 145.8 secs Computing kpt #: 220 total cpu time spent up to now is 146.4 secs Computing kpt #: 221 total cpu time spent up to now is 147.1 secs Computing kpt #: 222 total cpu time spent up to now is 147.7 secs Computing kpt #: 223 total cpu time spent up to now is 148.3 secs Computing kpt #: 224 total cpu time spent up to now is 149.0 secs Computing kpt #: 225 total cpu time spent up to now is 149.6 secs Computing kpt #: 226 total cpu time spent up to now is 150.3 secs Computing kpt #: 227 total cpu time spent up to now is 150.9 secs Computing kpt #: 228 total cpu time spent up to now is 151.6 secs Computing kpt #: 229 total cpu time spent up to now is 152.2 secs Computing kpt #: 230 total cpu time spent up to now is 152.9 secs Computing kpt #: 231 total cpu time spent up to now is 153.5 secs Computing kpt #: 232 total cpu time spent up to now is 154.1 secs Computing kpt #: 233 total cpu time spent up to now is 154.8 secs Computing kpt #: 234 total cpu time spent up to now is 155.4 secs Computing kpt #: 235 total cpu time spent up to now is 156.0 secs Computing kpt #: 236 total cpu time spent up to now is 156.6 secs Computing kpt #: 237 total cpu time spent up to now is 157.2 secs Computing kpt #: 238 total cpu time spent up to now is 157.8 secs Computing kpt #: 239 total cpu time spent up to now is 158.4 secs Computing kpt #: 240 total cpu time spent up to now is 159.0 secs Computing kpt #: 241 total cpu time spent up to now is 159.7 secs Computing kpt #: 242 total cpu time spent up to now is 160.3 secs Computing kpt #: 243 total cpu time spent up to now is 160.9 secs Computing kpt #: 244 total cpu time spent up to now is 161.6 secs Computing kpt #: 245 total cpu time spent up to now is 162.2 secs Computing kpt #: 246 total cpu time spent up to now is 163.0 secs Computing kpt #: 247 total cpu time spent up to now is 163.8 secs Computing kpt #: 248 total cpu time spent up to now is 164.5 secs Computing kpt #: 249 total cpu time spent up to now is 165.3 secs Computing kpt #: 250 total cpu time spent up to now is 166.0 secs Computing kpt #: 251 total cpu time spent up to now is 166.7 secs Computing kpt #: 252 total cpu time spent up to now is 167.3 secs Computing kpt #: 253 total cpu time spent up to now is 168.0 secs Computing kpt #: 254 total cpu time spent up to now is 168.6 secs Computing kpt #: 255 total cpu time spent up to now is 169.2 secs Computing kpt #: 256 total cpu time spent up to now is 169.9 secs Computing kpt #: 257 total cpu time spent up to now is 170.5 secs Computing kpt #: 258 total cpu time spent up to now is 171.1 secs Computing kpt #: 259 total cpu time spent up to now is 171.7 secs Computing kpt #: 260 total cpu time spent up to now is 172.3 secs Computing kpt #: 261 total cpu time spent up to now is 173.0 secs Computing kpt #: 262 total cpu time spent up to now is 173.6 secs Computing kpt #: 263 total cpu time spent up to now is 174.3 secs Computing kpt #: 264 total cpu time spent up to now is 175.6 secs Computing kpt #: 265 total cpu time spent up to now is 176.2 secs Computing kpt #: 266 total cpu time spent up to now is 176.8 secs Computing kpt #: 267 total cpu time spent up to now is 177.4 secs Computing kpt #: 268 total cpu time spent up to now is 178.1 secs Computing kpt #: 269 total cpu time spent up to now is 178.7 secs Computing kpt #: 270 total cpu time spent up to now is 179.3 secs Computing kpt #: 271 total cpu time spent up to now is 180.0 secs Computing kpt #: 272 total cpu time spent up to now is 180.6 secs Computing kpt #: 273 total cpu time spent up to now is 181.3 secs Computing kpt #: 274 total cpu time spent up to now is 181.9 secs Computing kpt #: 275 total cpu time spent up to now is 182.5 secs Computing kpt #: 276 total cpu time spent up to now is 183.2 secs Computing kpt #: 277 total cpu time spent up to now is 183.9 secs Computing kpt #: 278 total cpu time spent up to now is 184.5 secs Computing kpt #: 279 total cpu time spent up to now is 185.2 secs Computing kpt #: 280 total cpu time spent up to now is 185.8 secs Computing kpt #: 281 total cpu time spent up to now is 186.5 secs Computing kpt #: 282 total cpu time spent up to now is 187.1 secs Computing kpt #: 283 total cpu time spent up to now is 187.7 secs Computing kpt #: 284 total cpu time spent up to now is 188.3 secs Computing kpt #: 285 total cpu time spent up to now is 189.0 secs Computing kpt #: 286 total cpu time spent up to now is 189.7 secs Computing kpt #: 287 total cpu time spent up to now is 191.7 secs Computing kpt #: 288 total cpu time spent up to now is 192.4 secs Computing kpt #: 289 total cpu time spent up to now is 193.2 secs Computing kpt #: 290 total cpu time spent up to now is 193.9 secs Computing kpt #: 291 total cpu time spent up to now is 194.6 secs Computing kpt #: 292 total cpu time spent up to now is 195.3 secs Computing kpt #: 293 total cpu time spent up to now is 195.9 secs Computing kpt #: 294 total cpu time spent up to now is 196.6 secs Computing kpt #: 295 total cpu time spent up to now is 197.2 secs Computing kpt #: 296 total cpu time spent up to now is 197.8 secs Computing kpt #: 297 total cpu time spent up to now is 198.4 secs Computing kpt #: 298 total cpu time spent up to now is 199.0 secs Computing kpt #: 299 total cpu time spent up to now is 199.6 secs Computing kpt #: 300 total cpu time spent up to now is 200.3 secs Computing kpt #: 301 total cpu time spent up to now is 200.9 secs Computing kpt #: 302 total cpu time spent up to now is 201.5 secs Computing kpt #: 303 total cpu time spent up to now is 202.1 secs Computing kpt #: 304 total cpu time spent up to now is 202.7 secs Computing kpt #: 305 total cpu time spent up to now is 203.3 secs Computing kpt #: 306 total cpu time spent up to now is 204.0 secs Computing kpt #: 307 total cpu time spent up to now is 204.6 secs Computing kpt #: 308 total cpu time spent up to now is 205.3 secs Computing kpt #: 309 total cpu time spent up to now is 205.9 secs Computing kpt #: 310 total cpu time spent up to now is 206.6 secs Computing kpt #: 311 total cpu time spent up to now is 207.3 secs Computing kpt #: 312 total cpu time spent up to now is 207.9 secs ethr = 2.63E-08, avg # of iterations = 18.3 total cpu time spent up to now is 207.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6255 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1925 -9.1925 -9.1912 -9.1912 -9.1815 -9.1815 -6.3508 -6.3508 -5.0148 -5.0148 -3.0011 -3.0011 -0.9472 -0.9472 1.4086 1.4086 2.4636 2.4636 2.9708 2.9708 3.1751 3.1751 3.4893 3.4893 4.7602 4.7602 4.9650 4.9650 5.7649 5.7649 6.3095 6.3095 7.2974 7.2974 7.6308 7.6308 k = 0.0217 0.0065-0.0020 ( 6258 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1928 -9.1928 -9.1909 -9.1909 -9.1814 -9.1814 -6.3499 -6.3499 -5.0170 -5.0170 -2.9983 -2.9983 -0.9502 -0.9502 1.4104 1.4104 2.4650 2.4650 2.9724 2.9724 3.1738 3.1738 3.4932 3.4932 4.7451 4.7451 4.9724 4.9724 5.7658 5.7658 6.3154 6.3154 7.2925 7.2925 7.6295 7.6295 k = 0.0435 0.0131-0.0040 ( 6258 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5033 -9.5033 -9.4525 -9.4525 -9.2562 -9.2562 -9.1936 -9.1936 -9.1906 -9.1906 -9.1812 -9.1812 -6.3472 -6.3472 -5.0236 -5.0236 -2.9900 -2.9900 -0.9592 -0.9592 1.4156 1.4156 2.4693 2.4693 2.9769 2.9769 3.1703 3.1703 3.5043 3.5043 4.7065 4.7065 4.9877 4.9877 5.7689 5.7689 6.3328 6.3328 7.2782 7.2782 7.6251 7.6251 k = 0.0652 0.0196-0.0060 ( 6264 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5030 -9.5030 -9.4529 -9.4529 -9.2560 -9.2560 -9.1946 -9.1946 -9.1903 -9.1903 -9.1808 -9.1808 -6.3427 -6.3427 -5.0345 -5.0345 -2.9761 -2.9761 -0.9740 -0.9740 1.4243 1.4243 2.4763 2.4763 2.9832 2.9832 3.1668 3.1668 3.5217 3.5217 4.6549 4.6549 5.0004 5.0004 5.7752 5.7752 6.3605 6.3605 7.2558 7.2558 7.6167 7.6167 k = 0.0870 0.0262-0.0080 ( 6250 PWs) bands (ev): -25.7900 -25.7900 -25.7818 -25.7818 -9.5027 -9.5027 -9.4533 -9.4533 -9.2556 -9.2556 -9.1957 -9.1957 -9.1901 -9.1901 -9.1804 -9.1804 -6.3364 -6.3364 -5.0494 -5.0494 -2.9571 -2.9571 -0.9945 -0.9945 1.4362 1.4362 2.4862 2.4862 2.9894 2.9894 3.1657 3.1657 3.5438 3.5438 4.5970 4.5970 5.0044 5.0044 5.7855 5.7855 6.3972 6.3972 7.2269 7.2269 7.6034 7.6034 k = 0.1087 0.0327-0.0100 ( 6251 PWs) bands (ev): -25.7899 -25.7899 -25.7819 -25.7819 -9.5023 -9.5023 -9.4539 -9.4539 -9.2551 -9.2551 -9.1970 -9.1970 -9.1899 -9.1899 -9.1799 -9.1799 -6.3285 -6.3285 -5.0679 -5.0679 -2.9331 -2.9331 -1.0203 -1.0203 1.4512 1.4512 2.4988 2.4988 2.9935 2.9935 3.1700 3.1700 3.5692 3.5692 4.5366 4.5366 4.9971 4.9971 5.7997 5.7997 6.4415 6.4415 7.1932 7.1932 7.5848 7.5848 k = 0.1304 0.0393-0.0120 ( 6253 PWs) bands (ev): -25.7898 -25.7898 -25.7820 -25.7820 -9.5018 -9.5018 -9.4546 -9.4546 -9.2545 -9.2545 -9.1984 -9.1984 -9.1898 -9.1898 -9.1793 -9.1793 -6.3188 -6.3188 -5.0899 -5.0899 -2.9044 -2.9044 -1.0512 -1.0512 1.4691 1.4691 2.5141 2.5141 2.9939 2.9939 3.1817 3.1817 3.5966 3.5966 4.4762 4.4762 4.9784 4.9784 5.8164 5.8164 6.4921 6.4921 7.1561 7.1561 7.5615 7.5615 k = 0.1522 0.0458-0.0140 ( 6254 PWs) bands (ev): -25.7897 -25.7897 -25.7821 -25.7821 -9.5013 -9.5013 -9.4555 -9.4555 -9.2539 -9.2539 -9.1998 -9.1998 -9.1898 -9.1898 -9.1787 -9.1787 -6.3075 -6.3075 -5.1149 -5.1149 -2.8714 -2.8714 -1.0868 -1.0868 1.4896 1.4896 2.5317 2.5317 2.9906 2.9906 3.2006 3.2006 3.6246 3.6246 4.4180 4.4180 4.9497 4.9497 5.8333 5.8333 6.5482 6.5482 7.1168 7.1168 7.5348 7.5348 k = 0.1739 0.0524-0.0160 ( 6248 PWs) bands (ev): -25.7895 -25.7895 -25.7822 -25.7822 -9.5006 -9.5006 -9.4564 -9.4564 -9.2531 -9.2531 -9.2014 -9.2014 -9.1898 -9.1898 -9.1781 -9.1781 -6.2947 -6.2947 -5.1424 -5.1424 -2.8344 -2.8344 -1.1267 -1.1267 1.5124 1.5124 2.5513 2.5513 2.9850 2.9850 3.2254 3.2254 3.6521 3.6521 4.3639 4.3639 4.9126 4.9126 5.8478 5.8478 6.6089 6.6089 7.0764 7.0764 7.5061 7.5061 k = 0.1957 0.0589-0.0179 ( 6246 PWs) bands (ev): -25.7894 -25.7894 -25.7824 -25.7824 -9.4999 -9.4999 -9.4574 -9.4574 -9.2522 -9.2522 -9.2031 -9.2031 -9.1898 -9.1898 -9.1775 -9.1775 -6.2804 -6.2804 -5.1720 -5.1720 -2.7938 -2.7938 -1.1705 -1.1705 1.5373 1.5373 2.5725 2.5725 2.9790 2.9790 3.2537 3.2537 3.6775 3.6775 4.3161 4.3161 4.8690 4.8690 5.8574 5.8574 6.6729 6.6729 7.0360 7.0360 7.4770 7.4770 k = 0.2174 0.0655-0.0199 ( 6249 PWs) bands (ev): -25.7892 -25.7892 -25.7825 -25.7825 -9.4990 -9.4990 -9.4586 -9.4586 -9.2513 -9.2513 -9.2048 -9.2048 -9.1899 -9.1899 -9.1769 -9.1769 -6.2648 -6.2648 -5.2033 -5.2033 -2.7499 -2.7499 -1.2178 -1.2178 1.5639 1.5639 2.5944 2.5944 2.9743 2.9743 3.2834 3.2834 3.6993 3.6993 4.2767 4.2767 4.8210 4.8210 5.8604 5.8604 6.7380 6.7380 6.9978 6.9978 7.4487 7.4487 k = 0.2391 0.0720-0.0219 ( 6243 PWs) bands (ev): -25.7890 -25.7890 -25.7827 -25.7827 -9.4981 -9.4981 -9.4598 -9.4598 -9.2503 -9.2503 -9.2066 -9.2066 -9.1899 -9.1899 -9.1763 -9.1763 -6.2479 -6.2479 -5.2359 -5.2359 -2.7031 -2.7031 -1.2683 -1.2683 1.5917 1.5917 2.6160 2.6160 2.9726 2.9726 3.3120 3.3120 3.7162 3.7162 4.2476 4.2476 4.7703 4.7703 5.8555 5.8555 6.7978 6.7978 6.9677 6.9677 7.4224 7.4224 k = 0.2609 0.0786-0.0239 ( 6250 PWs) bands (ev): -25.7889 -25.7889 -25.7829 -25.7829 -9.4971 -9.4971 -9.4611 -9.4611 -9.2492 -9.2492 -9.2084 -9.2084 -9.1900 -9.1900 -9.1757 -9.1757 -6.2299 -6.2299 -5.2693 -5.2693 -2.6536 -2.6536 -1.3214 -1.3214 1.6205 1.6205 2.6360 2.6360 2.9755 2.9755 3.3376 3.3376 3.7275 3.7275 4.2300 4.2300 4.7190 4.7190 5.8422 5.8422 6.8314 6.8314 6.9659 6.9659 7.3988 7.3988 k = 0.2826 0.0851-0.0259 ( 6253 PWs) bands (ev): -25.7887 -25.7887 -25.7831 -25.7831 -9.4960 -9.4960 -9.4625 -9.4625 -9.2480 -9.2480 -9.2103 -9.2103 -9.1900 -9.1900 -9.1752 -9.1752 -6.2111 -6.2111 -5.3031 -5.3031 -2.6018 -2.6018 -1.3770 -1.3770 1.6498 1.6498 2.6533 2.6533 2.9843 2.9843 3.3578 3.3578 3.7338 3.7338 4.2233 4.2233 4.6694 4.6694 5.8207 5.8207 6.8206 6.8206 7.0093 7.0093 7.3789 7.3789 k = 0.3043 0.0917-0.0279 ( 6249 PWs) bands (ev): -25.7884 -25.7884 -25.7833 -25.7833 -9.4949 -9.4949 -9.4640 -9.4640 -9.2468 -9.2468 -9.2122 -9.2122 -9.1901 -9.1901 -9.1747 -9.1747 -6.1917 -6.1917 -5.3367 -5.3367 -2.5478 -2.5478 -1.4346 -1.4346 1.6790 1.6790 2.6668 2.6668 2.9999 2.9999 3.3711 3.3711 3.7368 3.7368 4.2245 4.2245 4.6245 4.6245 5.7918 5.7918 6.7898 6.7898 7.0708 7.0708 7.3645 7.3645 k = 0.3261 0.0982-0.0299 ( 6244 PWs) bands (ev): -25.7882 -25.7882 -25.7835 -25.7835 -9.4937 -9.4937 -9.4655 -9.4655 -9.2455 -9.2455 -9.2141 -9.2141 -9.1901 -9.1901 -9.1743 -9.1743 -6.1719 -6.1719 -5.3697 -5.3697 -2.4920 -2.4920 -1.4939 -1.4939 1.7077 1.7077 2.6761 2.6761 3.0222 3.0222 3.3767 3.3767 3.7384 3.7384 4.2287 4.2287 4.5883 4.5883 5.7566 5.7566 6.7550 6.7550 7.1298 7.1298 7.3597 7.3597 k = 0.3478 0.1048-0.0319 ( 6244 PWs) bands (ev): -25.7880 -25.7880 -25.7838 -25.7838 -9.4924 -9.4924 -9.4670 -9.4670 -9.2442 -9.2442 -9.2160 -9.2160 -9.1902 -9.1902 -9.1738 -9.1738 -6.1521 -6.1521 -5.4015 -5.4015 -2.4346 -2.4346 -1.5546 -1.5546 1.7353 1.7353 2.6815 2.6815 3.0503 3.0503 3.3751 3.3751 3.7397 3.7397 4.2296 4.2296 4.5654 4.5654 5.7168 5.7168 6.7207 6.7207 7.1734 7.1734 7.3718 7.3718 k = 0.3696 0.1113-0.0339 ( 6238 PWs) bands (ev): -25.7877 -25.7877 -25.7840 -25.7840 -9.4911 -9.4911 -9.4686 -9.4686 -9.2428 -9.2428 -9.2178 -9.2178 -9.1902 -9.1902 -9.1735 -9.1735 -6.1328 -6.1328 -5.4315 -5.4315 -2.3758 -2.3758 -1.6164 -1.6164 1.7611 1.7611 2.6838 2.6838 3.0825 3.0825 3.3684 3.3684 3.7404 3.7404 4.2228 4.2228 4.5592 4.5592 5.6741 5.6741 6.6888 6.6888 7.1942 7.1942 7.4052 7.4052 k = 0.3913 0.1179-0.0359 ( 6243 PWs) bands (ev): -25.7875 -25.7875 -25.7842 -25.7842 -9.4898 -9.4898 -9.4701 -9.4701 -9.2414 -9.2414 -9.2196 -9.2196 -9.1902 -9.1902 -9.1732 -9.1732 -6.1145 -6.1145 -5.4591 -5.4591 -2.3157 -2.3157 -1.6791 -1.6791 1.7846 1.7846 2.6839 2.6839 3.1164 3.1164 3.3592 3.3592 3.7392 3.7392 4.2080 4.2080 4.5685 4.5685 5.6305 5.6305 6.6604 6.6604 7.1978 7.1978 7.4519 7.4519 k = 0.4130 0.1244-0.0379 ( 6239 PWs) bands (ev): -25.7873 -25.7873 -25.7844 -25.7844 -9.4885 -9.4885 -9.4716 -9.4716 -9.2401 -9.2401 -9.2214 -9.2214 -9.1903 -9.1903 -9.1729 -9.1729 -6.0979 -6.0979 -5.4834 -5.4834 -2.2547 -2.2547 -1.7424 -1.7424 1.8051 1.8051 2.6827 2.6827 3.1489 3.1489 3.3506 3.3506 3.7351 3.7351 4.1893 4.1893 4.5881 4.5881 5.5887 5.5887 6.6362 6.6362 7.1937 7.1937 7.5001 7.5001 k = 0.4348 0.1309-0.0399 ( 6238 PWs) bands (ev): -25.7871 -25.7871 -25.7846 -25.7846 -9.4873 -9.4873 -9.4730 -9.4730 -9.2388 -9.2388 -9.2229 -9.2229 -9.1903 -9.1903 -9.1727 -9.1727 -6.0837 -6.0837 -5.5037 -5.5037 -2.1929 -2.1929 -1.8059 -1.8059 1.8218 1.8218 2.6810 2.6810 3.1767 3.1767 3.3453 3.3453 3.7280 3.7280 4.1711 4.1711 4.6117 4.6117 5.5512 5.5512 6.6168 6.6168 7.1875 7.1875 7.5422 7.5422 k = 0.4565 0.1375-0.0419 ( 6240 PWs) bands (ev): -25.7869 -25.7869 -25.7848 -25.7848 -9.4862 -9.4862 -9.4742 -9.4742 -9.2377 -9.2377 -9.2242 -9.2242 -9.1903 -9.1903 -9.1725 -9.1725 -6.0728 -6.0728 -5.5190 -5.5190 -2.1308 -2.1308 -1.8694 -1.8694 1.8342 1.8342 2.6793 2.6793 3.1968 3.1968 3.3445 3.3445 3.7193 3.7193 4.1568 4.1568 4.6333 4.6333 5.5212 5.5212 6.6026 6.6026 7.1818 7.1818 7.5742 7.5742 k = 0.4783 0.1440-0.0439 ( 6240 PWs) bands (ev): -25.7868 -25.7868 -25.7849 -25.7849 -9.4854 -9.4854 -9.4751 -9.4751 -9.2370 -9.2370 -9.2251 -9.2251 -9.1903 -9.1903 -9.1725 -9.1725 -6.0659 -6.0659 -5.5285 -5.5285 -2.0697 -2.0697 -1.9313 -1.9313 1.8419 1.8419 2.6782 2.6782 3.2080 3.2080 3.3467 3.3467 3.7120 3.7120 4.1478 4.1478 4.6485 4.6485 5.5016 5.5016 6.5940 6.5940 7.1780 7.1780 7.5940 7.5940 k = 0.5000 0.1506-0.0459 ( 6236 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4851 -9.4851 -9.4754 -9.4754 -9.2367 -9.2367 -9.2254 -9.2254 -9.1903 -9.1903 -9.1724 -9.1724 -6.0636 -6.0636 -5.5318 -5.5318 -2.0267 -2.0267 -1.9745 -1.9745 1.8445 1.8445 2.6778 2.6778 3.2114 3.2114 3.3481 3.3481 3.7091 3.7091 4.1448 4.1448 4.6539 4.6539 5.4948 5.4948 6.5911 6.5911 7.1766 7.1766 7.6006 7.6006 k = 0.5000 0.1506-0.0459 ( 6236 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4851 -9.4851 -9.4754 -9.4754 -9.2367 -9.2367 -9.2254 -9.2254 -9.1903 -9.1903 -9.1724 -9.1724 -6.0636 -6.0636 -5.5318 -5.5318 -2.0267 -2.0267 -1.9745 -1.9745 1.8445 1.8445 2.6778 2.6778 3.2114 3.2114 3.3481 3.3481 3.7091 3.7091 4.1448 4.1448 4.6539 4.6539 5.4948 5.4948 6.5911 6.5911 7.1766 7.1766 7.6006 7.6006 k = 0.5019 0.1512-0.0232 ( 6234 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4851 -9.4851 -9.4754 -9.4754 -9.2367 -9.2367 -9.2255 -9.2255 -9.1903 -9.1903 -9.1724 -9.1724 -6.0633 -6.0633 -5.5315 -5.5315 -2.0289 -2.0289 -1.9732 -1.9732 1.8455 1.8455 2.6776 2.6776 3.2105 3.2105 3.3467 3.3467 3.7104 3.7104 4.1459 4.1459 4.6552 4.6552 5.4960 5.4960 6.5917 6.5917 7.1746 7.1746 7.6002 7.6002 k = 0.5038 0.1517-0.0005 ( 6234 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4852 -9.4852 -9.4754 -9.4754 -9.2368 -9.2368 -9.2255 -9.2255 -9.1902 -9.1902 -9.1725 -9.1725 -6.0626 -6.0626 -5.5307 -5.5307 -2.0351 -2.0351 -1.9699 -1.9699 1.8483 1.8483 2.6770 2.6770 3.2077 3.2077 3.3427 3.3427 3.7141 3.7141 4.1492 4.1492 4.6591 4.6591 5.4998 5.4998 6.5937 6.5937 7.1686 7.1686 7.5985 7.5985 k = 0.5057 0.1523 0.0222 ( 6245 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4854 -9.4854 -9.4755 -9.4755 -9.2370 -9.2370 -9.2256 -9.2256 -9.1902 -9.1902 -9.1725 -9.1725 -6.0615 -6.0615 -5.5294 -5.5294 -2.0442 -2.0442 -1.9656 -1.9656 1.8529 1.8529 2.6759 2.6759 3.2025 3.2025 3.3374 3.3374 3.7198 3.7198 4.1546 4.1546 4.6656 4.6656 5.5061 5.5061 6.5970 6.5970 7.1590 7.1590 7.5946 7.5946 k = 0.5076 0.1529 0.0449 ( 6247 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4856 -9.4856 -9.4755 -9.4755 -9.2372 -9.2372 -9.2258 -9.2258 -9.1901 -9.1901 -9.1726 -9.1726 -6.0600 -6.0600 -5.5275 -5.5275 -2.0551 -2.0551 -1.9612 -1.9612 1.8592 1.8592 2.6744 2.6744 3.1945 3.1945 3.3322 3.3322 3.7267 3.7267 4.1616 4.1616 4.6748 4.6748 5.5150 5.5150 6.6016 6.6016 7.1462 7.1462 7.5873 7.5873 k = 0.5095 0.1535 0.0676 ( 6243 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4859 -9.4859 -9.4756 -9.4756 -9.2375 -9.2375 -9.2260 -9.2260 -9.1900 -9.1900 -9.1727 -9.1727 -6.0580 -6.0580 -5.5252 -5.5252 -2.0674 -2.0674 -1.9570 -1.9570 1.8669 1.8669 2.6723 2.6723 3.1835 3.1835 3.3286 3.3286 3.7341 3.7341 4.1700 4.1700 4.6866 4.6866 5.5265 5.5265 6.6075 6.6075 7.1305 7.1305 7.5752 7.5752 k = 0.5114 0.1540 0.0903 ( 6246 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4862 -9.4862 -9.4758 -9.4758 -9.2378 -9.2378 -9.2262 -9.2262 -9.1899 -9.1899 -9.1728 -9.1728 -6.0558 -6.0558 -5.5225 -5.5225 -2.0807 -2.0807 -1.9533 -1.9533 1.8758 1.8758 2.6696 2.6696 3.1695 3.1695 3.3273 3.3273 3.7416 3.7416 4.1792 4.1792 4.7011 4.7011 5.5406 5.5406 6.6144 6.6144 7.1122 7.1122 7.5575 7.5575 k = 0.5134 0.1546 0.1129 ( 6245 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4866 -9.4866 -9.4759 -9.4759 -9.2382 -9.2382 -9.2264 -9.2264 -9.1897 -9.1897 -9.1729 -9.1729 -6.0532 -6.0532 -5.5194 -5.5194 -2.0947 -2.0947 -1.9502 -1.9502 1.8858 1.8858 2.6661 2.6661 3.1532 3.1532 3.3288 3.3288 3.7487 3.7487 4.1888 4.1888 4.7183 4.7183 5.5573 5.5573 6.6225 6.6225 7.0910 7.0910 7.5342 7.5342 k = 0.5153 0.1552 0.1356 ( 6245 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4870 -9.4870 -9.4760 -9.4760 -9.2386 -9.2386 -9.2267 -9.2267 -9.1896 -9.1896 -9.1730 -9.1730 -6.0503 -6.0503 -5.5159 -5.5159 -2.1093 -2.1093 -1.9476 -1.9476 1.8964 1.8964 2.6617 2.6617 3.1356 3.1356 3.3329 3.3329 3.7552 3.7552 4.1984 4.1984 4.7381 4.7381 5.5765 5.5765 6.6316 6.6316 7.0666 7.0666 7.5058 7.5058 k = 0.5172 0.1558 0.1583 ( 6255 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4874 -9.4874 -9.4762 -9.4762 -9.2391 -9.2391 -9.2270 -9.2270 -9.1894 -9.1894 -9.1731 -9.1731 -6.0473 -6.0473 -5.5121 -5.5121 -2.1241 -2.1241 -1.9456 -1.9456 1.9074 1.9074 2.6566 2.6566 3.1176 3.1176 3.3394 3.3394 3.7609 3.7609 4.2076 4.2076 4.7607 4.7607 5.5979 5.5979 6.6415 6.6415 7.0382 7.0382 7.4741 7.4741 k = 0.5191 0.1563 0.1810 ( 6256 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4879 -9.4879 -9.4763 -9.4763 -9.2396 -9.2396 -9.2273 -9.2273 -9.1892 -9.1892 -9.1733 -9.1733 -6.0442 -6.0442 -5.5081 -5.5081 -2.1389 -2.1389 -1.9441 -1.9441 1.9185 1.9185 2.6506 2.6506 3.1000 3.1000 3.3480 3.3480 3.7658 3.7658 4.2160 4.2160 4.7858 4.7858 5.6214 5.6214 6.6520 6.6520 7.0050 7.0050 7.4411 7.4411 k = 0.5210 0.1569 0.2037 ( 6260 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4883 -9.4883 -9.4765 -9.4765 -9.2401 -9.2401 -9.2276 -9.2276 -9.1890 -9.1890 -9.1734 -9.1734 -6.0410 -6.0410 -5.5039 -5.5039 -2.1537 -2.1537 -1.9430 -1.9430 1.9292 1.9292 2.6438 2.6438 3.0835 3.0835 3.3583 3.3583 3.7698 3.7698 4.2234 4.2234 4.8135 4.8135 5.6465 5.6465 6.6628 6.6628 6.9661 6.9661 7.4090 7.4090 k = 0.5229 0.1575 0.2264 ( 6256 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4888 -9.4888 -9.4767 -9.4767 -9.2406 -9.2406 -9.2279 -9.2279 -9.1888 -9.1888 -9.1736 -9.1736 -6.0378 -6.0378 -5.4997 -5.4997 -2.1682 -2.1682 -1.9423 -1.9423 1.9393 1.9393 2.6365 2.6365 3.0686 3.0686 3.3703 3.3703 3.7729 3.7729 4.2296 4.2296 4.8435 4.8435 5.6728 5.6728 6.6735 6.6735 6.9214 6.9214 7.3796 7.3796 k = 0.5248 0.1581 0.2491 ( 6262 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4893 -9.4893 -9.4768 -9.4768 -9.2411 -9.2411 -9.2282 -9.2282 -9.1886 -9.1886 -9.1737 -9.1737 -6.0347 -6.0347 -5.4953 -5.4953 -2.1822 -2.1822 -1.9419 -1.9419 1.9483 1.9483 2.6289 2.6289 3.0555 3.0555 3.3836 3.3836 3.7752 3.7752 4.2345 4.2345 4.8758 4.8758 5.6997 5.6997 6.6831 6.6831 6.8719 6.8719 7.3540 7.3540 k = 0.5267 0.1586 0.2718 ( 6264 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4898 -9.4898 -9.4769 -9.4769 -9.2415 -9.2415 -9.2285 -9.2285 -9.1884 -9.1884 -9.1739 -9.1739 -6.0317 -6.0317 -5.4910 -5.4910 -2.1955 -2.1955 -1.9418 -1.9418 1.9561 1.9561 2.6214 2.6214 3.0445 3.0445 3.3980 3.3980 3.7766 3.7766 4.2380 4.2380 4.9099 4.9099 5.7265 5.7265 6.6891 6.6891 6.8207 6.8207 7.3325 7.3325 k = 0.5286 0.1592 0.2944 ( 6262 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4902 -9.4902 -9.4771 -9.4771 -9.2420 -9.2420 -9.2287 -9.2287 -9.1882 -9.1882 -9.1740 -9.1740 -6.0290 -6.0290 -5.4868 -5.4868 -2.2081 -2.2081 -1.9417 -1.9417 1.9621 1.9621 2.6144 2.6144 3.0356 3.0356 3.4132 3.4132 3.7772 3.7772 4.2401 4.2401 4.9453 4.9453 5.7526 5.7526 6.6833 6.6833 6.7777 6.7777 7.3149 7.3149 k = 0.5305 0.1598 0.3171 ( 6252 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4907 -9.4907 -9.4772 -9.4772 -9.2424 -9.2424 -9.2289 -9.2289 -9.1880 -9.1880 -9.1742 -9.1742 -6.0266 -6.0266 -5.4828 -5.4828 -2.2197 -2.2197 -1.9418 -1.9418 1.9663 1.9663 2.6082 2.6082 3.0288 3.0288 3.4292 3.4292 3.7770 3.7770 4.2408 4.2408 4.9813 4.9813 5.7773 5.7773 6.6509 6.6509 6.7591 6.7591 7.3007 7.3007 k = 0.5324 0.1604 0.3398 ( 6248 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4911 -9.4911 -9.4773 -9.4773 -9.2428 -9.2428 -9.2291 -9.2291 -9.1878 -9.1878 -9.1743 -9.1743 -6.0246 -6.0246 -5.4789 -5.4789 -2.2302 -2.2302 -1.9418 -1.9418 1.9684 1.9684 2.6033 2.6033 3.0241 3.0241 3.4456 3.4456 3.7760 3.7760 4.2402 4.2402 5.0170 5.0170 5.7998 5.7998 6.5996 6.5996 6.7594 6.7594 7.2891 7.2891 k = 0.5343 0.1609 0.3625 ( 6243 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4915 -9.4915 -9.4773 -9.4773 -9.2432 -9.2432 -9.2293 -9.2293 -9.1876 -9.1876 -9.1744 -9.1744 -6.0229 -6.0229 -5.4753 -5.4753 -2.2395 -2.2395 -1.9417 -1.9417 1.9682 1.9682 2.6000 2.6000 3.0213 3.0213 3.4622 3.4622 3.7742 3.7742 4.2383 4.2383 5.0511 5.0511 5.8197 5.8197 6.5448 6.5448 6.7654 6.7654 7.2794 7.2794 k = 0.5363 0.1615 0.3852 ( 6247 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4918 -9.4918 -9.4773 -9.4773 -9.2436 -9.2436 -9.2294 -9.2294 -9.1875 -9.1875 -9.1746 -9.1746 -6.0217 -6.0217 -5.4721 -5.4721 -2.2475 -2.2475 -1.9415 -1.9415 1.9659 1.9659 2.5984 2.5984 3.0205 3.0205 3.4789 3.4789 3.7717 3.7717 4.2352 4.2352 5.0821 5.0821 5.8364 5.8364 6.4932 6.4932 6.7723 6.7723 7.2712 7.2712 k = 0.5382 0.1621 0.4079 ( 6253 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4921 -9.4921 -9.4773 -9.4773 -9.2438 -9.2438 -9.2294 -9.2294 -9.1873 -9.1873 -9.1747 -9.1747 -6.0210 -6.0210 -5.4691 -5.4691 -2.2542 -2.2542 -1.9410 -1.9410 1.9613 1.9613 2.5988 2.5988 3.0214 3.0214 3.4954 3.4954 3.7683 3.7683 4.2310 4.2310 5.1081 5.1081 5.8497 5.8497 6.4484 6.4484 6.7785 6.7785 7.2640 7.2640 k = 0.5401 0.1627 0.4306 ( 6261 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4924 -9.4924 -9.4773 -9.4773 -9.2441 -9.2441 -9.2295 -9.2295 -9.1871 -9.1871 -9.1748 -9.1748 -6.0209 -6.0209 -5.4666 -5.4666 -2.2596 -2.2596 -1.9402 -1.9402 1.9548 1.9548 2.6010 2.6010 3.0242 3.0242 3.5116 3.5116 3.7641 3.7641 4.2258 4.2258 5.1272 5.1272 5.8598 5.8598 6.4131 6.4131 6.7833 6.7833 7.2575 7.2575 k = 0.5401 0.1627 0.4306 ( 6261 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4924 -9.4924 -9.4773 -9.4773 -9.2441 -9.2441 -9.2295 -9.2295 -9.1871 -9.1871 -9.1748 -9.1748 -6.0209 -6.0209 -5.4666 -5.4666 -2.2596 -2.2596 -1.9402 -1.9402 1.9548 1.9548 2.6010 2.6010 3.0242 3.0242 3.5116 3.5116 3.7641 3.7641 4.2258 4.2258 5.1272 5.1272 5.8598 5.8598 6.4131 6.4131 6.7833 6.7833 7.2575 7.2575 k = 0.5267 0.1586 0.4459 ( 6257 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4923 -9.4923 -9.4775 -9.4775 -9.2440 -9.2440 -9.2298 -9.2298 -9.1868 -9.1868 -9.1749 -9.1749 -6.0176 -6.0176 -5.4702 -5.4702 -2.2359 -2.2359 -1.9674 -1.9674 1.9571 1.9571 2.5994 2.5994 3.0297 3.0297 3.5606 3.5606 3.7383 3.7383 4.2017 4.2017 5.1407 5.1407 5.8612 5.8612 6.3953 6.3953 6.7811 6.7811 7.2491 7.2491 k = 0.5134 0.1546 0.4611 ( 6254 PWs) bands (ev): -25.7868 -25.7868 -25.7849 -25.7849 -9.4923 -9.4923 -9.4776 -9.4776 -9.2440 -9.2440 -9.2299 -9.2299 -9.1866 -9.1866 -9.1750 -9.1750 -6.0156 -6.0156 -5.4723 -5.4723 -2.2190 -2.2190 -1.9864 -1.9864 1.9585 1.9585 2.5983 2.5983 3.0327 3.0327 3.6077 3.6077 3.7063 3.7063 4.1867 4.1867 5.1489 5.1489 5.8620 5.8620 6.3845 6.3845 6.7799 6.7799 7.2440 7.2440 k = 0.5000 0.1506 0.4764 ( 6256 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4922 -9.4922 -9.4777 -9.4777 -9.2440 -9.2440 -9.2300 -9.2300 -9.1866 -9.1866 -9.1750 -9.1750 -6.0149 -6.0149 -5.4731 -5.4731 -2.2127 -2.2127 -1.9934 -1.9934 1.9590 1.9590 2.5980 2.5980 3.0337 3.0337 3.6375 3.6375 3.6817 3.6817 4.1816 4.1816 5.1517 5.1517 5.8623 5.8623 6.3809 6.3809 6.7795 6.7795 7.2422 7.2422 k = 0.5000 0.1506 0.4764 ( 6256 PWs) bands (ev): -25.7868 -25.7868 -25.7850 -25.7850 -9.4922 -9.4922 -9.4777 -9.4777 -9.2440 -9.2440 -9.2300 -9.2300 -9.1866 -9.1866 -9.1750 -9.1750 -6.0149 -6.0149 -5.4731 -5.4731 -2.2127 -2.2127 -1.9934 -1.9934 1.9590 1.9590 2.5980 2.5980 3.0337 3.0337 3.6375 3.6375 3.6817 3.6817 4.1816 4.1816 5.1517 5.1517 5.8623 5.8623 6.3809 6.3809 6.7795 6.7795 7.2422 7.2422 k = 0.5066 0.1287 0.4764 ( 6250 PWs) bands (ev): -25.7868 -25.7868 -25.7849 -25.7849 -9.4923 -9.4923 -9.4777 -9.4777 -9.2440 -9.2440 -9.2300 -9.2300 -9.1867 -9.1867 -9.1751 -9.1751 -6.0137 -6.0137 -5.4717 -5.4717 -2.2124 -2.2124 -1.9948 -1.9948 1.9556 1.9556 2.5982 2.5982 3.0321 3.0321 3.5922 3.5922 3.7160 3.7160 4.1774 4.1774 5.1534 5.1534 5.8791 5.8791 6.3820 6.3820 6.7647 6.7647 7.2593 7.2593 k = 0.5132 0.1067 0.4764 ( 6248 PWs) bands (ev): -25.7868 -25.7868 -25.7849 -25.7849 -9.4923 -9.4923 -9.4777 -9.4777 -9.2441 -9.2441 -9.2299 -9.2299 -9.1870 -9.1870 -9.1754 -9.1754 -6.0102 -6.0102 -5.4677 -5.4677 -2.2114 -2.2114 -1.9987 -1.9987 1.9454 1.9454 2.5988 2.5988 3.0275 3.0275 3.5189 3.5189 3.7566 3.7566 4.1659 4.1659 5.1583 5.1583 5.9272 5.9272 6.3855 6.3855 6.7269 6.7269 7.3040 7.3040 k = 0.5198 0.0848 0.4764 ( 6248 PWs) bands (ev): -25.7867 -25.7867 -25.7849 -25.7849 -9.4923 -9.4923 -9.4778 -9.4778 -9.2444 -9.2444 -9.2299 -9.2299 -9.1875 -9.1875 -9.1757 -9.1757 -6.0042 -6.0042 -5.4610 -5.4610 -2.2098 -2.2098 -2.0054 -2.0054 1.9284 1.9284 2.6001 2.6001 3.0206 3.0206 3.4322 3.4322 3.7900 3.7900 4.1492 4.1492 5.1658 5.1658 6.0009 6.0009 6.3918 6.3918 6.6795 6.6795 7.3644 7.3644 k = 0.5264 0.0629 0.4764 ( 6240 PWs) bands (ev): -25.7867 -25.7867 -25.7848 -25.7848 -9.4924 -9.4924 -9.4779 -9.4779 -9.2447 -9.2447 -9.2298 -9.2298 -9.1881 -9.1881 -9.1763 -9.1763 -5.9959 -5.9959 -5.4516 -5.4516 -2.2077 -2.2077 -2.0148 -2.0148 1.9048 1.9048 2.6023 2.6023 3.0120 3.0120 3.3340 3.3340 3.8159 3.8159 4.1303 4.1303 5.1739 5.1739 6.0916 6.0916 6.4021 6.4021 6.6345 6.6345 7.4310 7.4310 k = 0.5330 0.0410 0.4764 ( 6254 PWs) bands (ev): -25.7866 -25.7866 -25.7847 -25.7847 -9.4925 -9.4925 -9.4781 -9.4781 -9.2451 -9.2451 -9.2297 -9.2297 -9.1889 -9.1889 -9.1769 -9.1769 -5.9853 -5.9853 -5.4395 -5.4395 -2.2051 -2.2051 -2.0271 -2.0271 1.8750 1.8750 2.6058 2.6058 3.0017 3.0017 3.2269 3.2269 3.8342 3.8342 4.1117 4.1117 5.1799 5.1799 6.1868 6.1868 6.4181 6.4181 6.6036 6.6036 7.4972 7.4972 k = 0.5396 0.0190 0.4764 ( 6254 PWs) bands (ev): -25.7865 -25.7865 -25.7846 -25.7846 -9.4926 -9.4926 -9.4783 -9.4783 -9.2455 -9.2455 -9.2297 -9.2297 -9.1899 -9.1899 -9.1777 -9.1777 -5.9723 -5.9723 -5.4248 -5.4248 -2.2022 -2.2022 -2.0424 -2.0424 1.8396 1.8396 2.6108 2.6108 2.9866 2.9866 3.1171 3.1171 3.8441 3.8441 4.0960 4.0960 5.1806 5.1806 6.2682 6.2682 6.4399 6.4399 6.6045 6.6045 7.5568 7.5568 k = 0.5462-0.0029 0.4764 ( 6254 PWs) bands (ev): -25.7864 -25.7864 -25.7845 -25.7845 -9.4928 -9.4928 -9.4786 -9.4786 -9.2461 -9.2461 -9.2296 -9.2296 -9.1910 -9.1910 -9.1785 -9.1785 -5.9570 -5.9570 -5.4074 -5.4074 -2.1990 -2.1990 -2.0609 -2.0609 1.7993 1.7993 2.6176 2.6176 2.9402 2.9402 3.0338 3.0338 3.8440 3.8440 4.0854 4.0854 5.1732 5.1732 6.3206 6.3206 6.4587 6.4587 6.6592 6.6592 7.6014 7.6014 k = 0.5528-0.0248 0.4764 ( 6242 PWs) bands (ev): -25.7863 -25.7863 -25.7843 -25.7843 -9.4929 -9.4929 -9.4789 -9.4789 -9.2468 -9.2468 -9.2296 -9.2296 -9.1921 -9.1921 -9.1795 -9.1795 -5.9394 -5.9394 -5.3873 -5.3873 -2.1957 -2.1957 -2.0827 -2.0827 1.7554 1.7554 2.6264 2.6264 2.8333 2.8333 3.0089 3.0089 3.8326 3.8326 4.0814 4.0814 5.1563 5.1563 6.3493 6.3493 6.4745 6.4745 6.7581 6.7581 7.6193 7.6193 k = 0.5594-0.0468 0.4764 ( 6246 PWs) bands (ev): -25.7862 -25.7862 -25.7841 -25.7841 -9.4932 -9.4932 -9.4793 -9.4793 -9.2475 -9.2475 -9.2297 -9.2297 -9.1933 -9.1933 -9.1804 -9.1804 -5.9195 -5.9195 -5.3646 -5.3646 -2.1925 -2.1925 -2.1080 -2.1080 1.7088 1.7088 2.6360 2.6360 2.7089 2.7089 3.0025 3.0025 3.8096 3.8096 4.0843 4.0843 5.1296 5.1296 6.3661 6.3661 6.4971 6.4971 6.8726 6.8726 7.6048 7.6048 k = 0.5660-0.0687 0.4764 ( 6244 PWs) bands (ev): -25.7860 -25.7860 -25.7839 -25.7839 -9.4934 -9.4934 -9.4798 -9.4798 -9.2483 -9.2483 -9.2298 -9.2298 -9.1946 -9.1946 -9.1815 -9.1815 -5.8973 -5.8973 -5.3391 -5.3391 -2.1897 -2.1897 -2.1369 -2.1369 1.6611 1.6611 2.5745 2.5745 2.6540 2.6540 3.0012 3.0012 3.7757 3.7757 4.0929 4.0929 5.0945 5.0945 6.3771 6.3771 6.5300 6.5300 6.9806 6.9806 7.5718 7.5718 k = 0.5726-0.0906 0.4764 ( 6234 PWs) bands (ev): -25.7859 -25.7859 -25.7837 -25.7837 -9.4937 -9.4937 -9.4803 -9.4803 -9.2493 -9.2493 -9.2301 -9.2301 -9.1958 -9.1958 -9.1825 -9.1825 -5.8729 -5.8729 -5.3111 -5.3111 -2.1877 -2.1877 -2.1694 -2.1694 1.6133 1.6133 2.4456 2.4456 2.6680 2.6680 3.0028 3.0028 3.7321 3.7321 4.1058 4.1058 5.0532 5.0532 6.3847 6.3847 6.5725 6.5725 7.0618 7.0618 7.5455 7.5455 k = 0.5792-0.1125 0.4764 ( 6232 PWs) bands (ev): -25.7857 -25.7857 -25.7835 -25.7835 -9.4941 -9.4941 -9.4808 -9.4808 -9.2503 -9.2503 -9.2305 -9.2305 -9.1970 -9.1970 -9.1835 -9.1835 -5.8463 -5.8463 -5.2803 -5.2803 -2.2069 -2.2069 -2.1855 -2.1855 1.5667 1.5667 2.3171 2.3171 2.6850 2.6850 3.0066 3.0066 3.6799 3.6799 4.1217 4.1217 5.0081 5.0081 6.3897 6.3897 6.6223 6.6223 7.0956 7.0956 7.5481 7.5481 k = 0.5858-0.1345 0.4764 ( 6232 PWs) bands (ev): -25.7855 -25.7855 -25.7833 -25.7833 -9.4945 -9.4945 -9.4815 -9.4815 -9.2514 -9.2514 -9.2311 -9.2311 -9.1980 -9.1980 -9.1844 -9.1844 -5.8176 -5.8176 -5.2470 -5.2470 -2.2474 -2.2474 -2.1854 -2.1854 1.5224 1.5224 2.1910 2.1910 2.7037 2.7037 3.0119 3.0119 3.6202 3.6202 4.1396 4.1396 4.9611 4.9611 6.3921 6.3921 6.6768 6.6768 7.0794 7.0794 7.5799 7.5799 k = 0.5925-0.1564 0.4764 ( 6242 PWs) bands (ev): -25.7854 -25.7854 -25.7830 -25.7830 -9.4950 -9.4950 -9.4822 -9.4822 -9.2525 -9.2525 -9.2319 -9.2319 -9.1990 -9.1990 -9.1854 -9.1854 -5.7867 -5.7867 -5.2110 -5.2110 -2.2921 -2.2921 -2.1866 -2.1866 1.4812 1.4812 2.0685 2.0685 2.7234 2.7234 3.0185 3.0185 3.5540 3.5540 4.1590 4.1590 4.9139 4.9139 6.3917 6.3917 6.7328 6.7328 7.0324 7.0324 7.6180 7.6180 k = 0.5991-0.1783 0.4764 ( 6238 PWs) bands (ev): -25.7852 -25.7852 -25.7828 -25.7828 -9.4955 -9.4955 -9.4830 -9.4830 -9.2538 -9.2538 -9.2328 -9.2328 -9.1998 -9.1998 -9.1862 -9.1862 -5.7538 -5.7538 -5.1723 -5.1723 -2.3410 -2.3410 -2.1895 -2.1895 1.4440 1.4440 1.9507 1.9507 2.7436 2.7436 3.0257 3.0257 3.4826 3.4826 4.1792 4.1792 4.8675 4.8675 6.3878 6.3878 6.7853 6.7853 6.9756 6.9756 7.6403 7.6403 k = 0.6057-0.2002 0.4764 ( 6238 PWs) bands (ev): -25.7850 -25.7850 -25.7825 -25.7825 -9.4961 -9.4961 -9.4839 -9.4839 -9.2551 -9.2551 -9.2339 -9.2339 -9.2004 -9.2004 -9.1870 -9.1870 -5.7189 -5.7189 -5.1311 -5.1311 -2.3938 -2.3938 -2.1947 -2.1947 1.4114 1.4114 1.8383 1.8383 2.7631 2.7631 3.0329 3.0329 3.4083 3.4083 4.1999 4.1999 4.8223 4.8223 6.3798 6.3798 6.8168 6.8168 6.9350 6.9350 7.6370 7.6370 k = 0.6123-0.2222 0.4764 ( 6244 PWs) bands (ev): -25.7848 -25.7848 -25.7823 -25.7823 -9.4968 -9.4968 -9.4848 -9.4848 -9.2565 -9.2565 -9.2351 -9.2351 -9.2009 -9.2009 -9.1877 -9.1877 -5.6821 -5.6821 -5.0872 -5.0872 -2.4506 -2.4506 -2.2024 -2.2024 1.3836 1.3836 1.7320 1.7320 2.7803 2.7803 3.0388 3.0388 3.3341 3.3341 4.2208 4.2208 4.7785 4.7785 6.3668 6.3668 6.7913 6.7913 6.9503 6.9503 7.6135 7.6135 k = 0.6189-0.2441 0.4764 ( 6252 PWs) bands (ev): -25.7846 -25.7846 -25.7820 -25.7820 -9.4975 -9.4975 -9.4858 -9.4858 -9.2579 -9.2579 -9.2365 -9.2365 -9.2013 -9.2013 -9.1882 -9.1882 -5.6435 -5.6435 -5.0408 -5.0408 -2.5111 -2.5111 -2.2131 -2.2131 1.3611 1.3611 1.6329 1.6329 2.7924 2.7924 3.0411 3.0411 3.2658 3.2658 4.2413 4.2413 4.7359 4.7359 6.3484 6.3484 6.7369 6.7369 6.9949 6.9949 7.5807 7.5807 k = 0.6255-0.2660 0.4764 ( 6254 PWs) bands (ev): -25.7845 -25.7845 -25.7817 -25.7817 -9.4983 -9.4983 -9.4869 -9.4869 -9.2594 -9.2594 -9.2380 -9.2380 -9.2015 -9.2015 -9.1887 -9.1887 -5.6031 -5.6031 -4.9917 -4.9917 -2.5750 -2.5750 -2.2272 -2.2272 1.3434 1.3434 1.5418 1.5418 2.7944 2.7944 3.0349 3.0349 3.2135 3.2135 4.2612 4.2612 4.6943 4.6943 6.3242 6.3242 6.6806 6.6806 7.0416 7.0416 7.5464 7.5464 k = 0.6321-0.2880 0.4764 ( 6264 PWs) bands (ev): -25.7843 -25.7843 -25.7815 -25.7815 -9.4992 -9.4992 -9.4880 -9.4880 -9.2608 -9.2608 -9.2395 -9.2395 -9.2017 -9.2017 -9.1891 -9.1891 -5.5611 -5.5611 -4.9402 -4.9402 -2.6421 -2.6421 -2.2451 -2.2451 1.3297 1.3297 1.4605 1.4605 2.7784 2.7784 3.0182 3.0182 3.1877 3.1877 4.2799 4.2799 4.6533 4.6533 6.2947 6.2947 6.6282 6.6282 7.0826 7.0826 7.5162 7.5162 k = 0.6387-0.3099 0.4764 ( 6264 PWs) bands (ev): -25.7841 -25.7841 -25.7812 -25.7812 -9.5001 -9.5001 -9.4892 -9.4892 -9.2623 -9.2623 -9.2411 -9.2411 -9.2017 -9.2017 -9.1893 -9.1893 -5.5176 -5.5176 -4.8860 -4.8860 -2.7120 -2.7120 -2.2670 -2.2670 1.3148 1.3148 1.3943 1.3943 2.7370 2.7370 3.0004 3.0004 3.1865 3.1865 4.2970 4.2970 4.6126 4.6126 6.2607 6.2607 6.5809 6.5809 7.1129 7.1129 7.4953 7.4953 k = 0.6453-0.3318 0.4764 ( 6264 PWs) bands (ev): -25.7839 -25.7839 -25.7809 -25.7809 -9.5011 -9.5011 -9.4903 -9.4903 -9.2638 -9.2638 -9.2426 -9.2426 -9.2018 -9.2018 -9.1895 -9.1895 -5.4728 -5.4728 -4.8294 -4.8294 -2.7843 -2.7843 -2.2933 -2.2933 1.2830 1.2830 1.3595 1.3595 2.6719 2.6719 2.9897 2.9897 3.2002 3.2002 4.3120 4.3120 4.5719 4.5719 6.2242 6.2242 6.5385 6.5385 7.1278 7.1278 7.4887 7.4887 k = 0.6519-0.3537 0.4764 ( 6254 PWs) bands (ev): -25.7838 -25.7838 -25.7806 -25.7806 -9.5020 -9.5020 -9.4916 -9.4916 -9.2652 -9.2652 -9.2441 -9.2441 -9.2017 -9.2017 -9.1895 -9.1895 -5.4268 -5.4268 -4.7704 -4.7704 -2.8586 -2.8586 -2.3241 -2.3241 1.2353 1.2353 1.3552 1.3552 2.5914 2.5914 2.9842 2.9842 3.2227 3.2227 4.3243 4.3243 4.5312 4.5312 6.1869 6.1869 6.5005 6.5005 7.1255 7.1255 7.4987 7.4987 k = 0.6585-0.3757 0.4764 ( 6256 PWs) bands (ev): -25.7836 -25.7836 -25.7804 -25.7804 -9.5031 -9.5031 -9.4928 -9.4928 -9.2666 -9.2666 -9.2456 -9.2456 -9.2017 -9.2017 -9.1895 -9.1895 -5.3799 -5.3799 -4.7088 -4.7088 -2.9343 -2.9343 -2.3597 -2.3597 1.1894 1.1894 1.3635 1.3635 2.5029 2.5029 2.9801 2.9801 3.2507 3.2507 4.3330 4.3330 4.4907 4.4907 6.1506 6.1506 6.4664 6.4664 7.1085 7.1085 7.5228 7.5228 k = 0.6651-0.3976 0.4764 ( 6256 PWs) bands (ev): -25.7834 -25.7834 -25.7801 -25.7801 -9.5041 -9.5041 -9.4940 -9.4940 -9.2680 -9.2680 -9.2469 -9.2469 -9.2017 -9.2017 -9.1894 -9.1894 -5.3323 -5.3323 -4.6449 -4.6449 -3.0110 -3.0110 -2.4001 -2.4001 1.1505 1.1505 1.3788 1.3788 2.4107 2.4107 2.9747 2.9747 3.2823 3.2823 4.3371 4.3371 4.4508 4.4508 6.1167 6.1167 6.4363 6.4363 7.0817 7.0817 7.5563 7.5563 k = 0.6717-0.4195 0.4764 ( 6264 PWs) bands (ev): -25.7833 -25.7833 -25.7799 -25.7799 -9.5052 -9.5052 -9.4952 -9.4952 -9.2693 -9.2693 -9.2482 -9.2482 -9.2017 -9.2017 -9.1892 -9.1892 -5.2844 -5.2844 -4.5786 -4.5786 -3.0880 -3.0880 -2.4451 -2.4451 1.1201 1.1201 1.3993 1.3993 2.3174 2.3174 2.9671 2.9671 3.3162 3.3162 4.3347 4.3347 4.4135 4.4135 6.0861 6.0861 6.4105 6.4105 7.0491 7.0491 7.5950 7.5950 k = 0.6783-0.4414 0.4764 ( 6272 PWs) bands (ev): -25.7832 -25.7832 -25.7796 -25.7796 -9.5062 -9.5062 -9.4964 -9.4964 -9.2706 -9.2706 -9.2493 -9.2493 -9.2017 -9.2017 -9.1890 -9.1890 -5.2365 -5.2365 -4.5100 -4.5100 -3.1648 -3.1648 -2.4948 -2.4948 1.0984 1.0984 1.4239 1.4239 2.2250 2.2250 2.9567 2.9567 3.3511 3.3511 4.3221 4.3221 4.3823 4.3823 6.0594 6.0594 6.3898 6.3898 7.0134 7.0134 7.6335 7.6335 k = 0.6849-0.4634 0.4764 ( 6270 PWs) bands (ev): -25.7831 -25.7831 -25.7794 -25.7794 -9.5073 -9.5073 -9.4975 -9.4975 -9.2718 -9.2718 -9.2504 -9.2504 -9.2017 -9.2017 -9.1887 -9.1887 -5.1890 -5.1890 -4.4392 -4.4392 -3.2406 -3.2406 -2.5488 -2.5488 1.0852 1.0852 1.4516 1.4516 2.1351 2.1351 2.9434 2.9434 3.3857 3.3857 4.2970 4.2970 4.3599 4.3599 6.0370 6.0370 6.3748 6.3748 6.9764 6.9764 7.6515 7.6515 k = 0.6915-0.4853 0.4764 ( 6262 PWs) bands (ev): -25.7830 -25.7830 -25.7792 -25.7792 -9.5083 -9.5083 -9.4985 -9.4985 -9.2729 -9.2729 -9.2512 -9.2512 -9.2017 -9.2017 -9.1884 -9.1884 -5.1426 -5.1426 -4.3662 -4.3662 -3.3147 -3.3147 -2.6067 -2.6067 1.0803 1.0803 1.4807 1.4807 2.0495 2.0495 2.9273 2.9273 3.4187 3.4187 4.2650 4.2650 4.3414 4.3414 6.0190 6.0190 6.3664 6.3664 6.9388 6.9388 7.6569 7.6569 k = 0.6981-0.5072 0.4764 ( 6258 PWs) bands (ev): -25.7829 -25.7829 -25.7789 -25.7789 -9.5092 -9.5092 -9.4995 -9.4995 -9.2739 -9.2739 -9.2520 -9.2520 -9.2018 -9.2018 -9.1881 -9.1881 -5.0979 -5.0979 -4.2911 -4.2911 -3.3862 -3.3862 -2.6683 -2.6683 1.0833 1.0833 1.5087 1.5087 1.9710 1.9710 2.9088 2.9088 3.4485 3.4485 4.2325 4.2325 4.3216 4.3216 6.0054 6.0054 6.3651 6.3651 6.9012 6.9012 7.6625 7.6625 k = 0.7047-0.5291 0.4764 ( 6252 PWs) bands (ev): -25.7828 -25.7828 -25.7787 -25.7787 -9.5101 -9.5101 -9.5003 -9.5003 -9.2748 -9.2748 -9.2526 -9.2526 -9.2019 -9.2019 -9.1878 -9.1878 -5.0557 -5.0557 -4.2141 -4.2141 -3.4541 -3.4541 -2.7331 -2.7331 1.0935 1.0935 1.5307 1.5307 1.9046 1.9046 2.8882 2.8882 3.4733 3.4733 4.2031 4.2031 4.2985 4.2985 5.9963 5.9963 6.3712 6.3712 6.8638 6.8638 7.6689 7.6689 k = 0.7113-0.5511 0.4764 ( 6256 PWs) bands (ev): -25.7828 -25.7828 -25.7786 -25.7786 -9.5110 -9.5110 -9.5010 -9.5010 -9.2756 -9.2756 -9.2531 -9.2531 -9.2020 -9.2020 -9.1875 -9.1875 -5.0171 -5.0171 -4.1353 -4.1353 -3.5174 -3.5174 -2.8004 -2.8004 1.1103 1.1103 1.5382 1.5382 1.8587 1.8587 2.8660 2.8660 3.4915 3.4915 4.1786 4.1786 4.2722 4.2722 5.9916 5.9916 6.3847 6.3847 6.8270 6.8270 7.6760 7.6760 k = 0.7179-0.5730 0.4764 ( 6256 PWs) bands (ev): -25.7828 -25.7828 -25.7784 -25.7784 -9.5117 -9.5117 -9.5016 -9.5016 -9.2764 -9.2764 -9.2534 -9.2534 -9.2022 -9.2022 -9.1872 -9.1872 -4.9831 -4.9831 -4.0550 -4.0550 -3.5747 -3.5747 -2.8699 -2.8699 1.1331 1.1331 1.5223 1.5223 1.8423 1.8423 2.8428 2.8428 3.5013 3.5013 4.1591 4.1591 4.2445 4.2445 5.9915 5.9915 6.4054 6.4054 6.7909 6.7909 7.6834 7.6834 k = 0.7245-0.5949 0.4764 ( 6254 PWs) bands (ev): -25.7827 -25.7827 -25.7783 -25.7783 -9.5124 -9.5124 -9.5021 -9.5021 -9.2770 -9.2770 -9.2536 -9.2536 -9.2024 -9.2024 -9.1869 -9.1869 -4.9551 -4.9551 -3.9734 -3.9734 -3.6248 -3.6248 -2.9406 -2.9406 1.1607 1.1607 1.4836 1.4836 1.8547 1.8547 2.8193 2.8193 3.5019 3.5019 4.1405 4.1405 4.2210 4.2210 5.9957 5.9957 6.4328 6.4328 6.7557 6.7557 7.6909 7.6909 k = 0.7311-0.6169 0.4764 ( 6258 PWs) bands (ev): -25.7827 -25.7827 -25.7781 -25.7781 -9.5130 -9.5130 -9.5024 -9.5024 -9.2775 -9.2775 -9.2537 -9.2537 -9.2026 -9.2026 -9.1866 -9.1866 -4.9345 -4.9345 -3.8912 -3.8912 -3.6661 -3.6661 -3.0118 -3.0118 1.1920 1.1920 1.4321 1.4321 1.8861 1.8861 2.7963 2.7963 3.4934 3.4934 4.1136 4.1136 4.2113 4.2113 6.0042 6.0042 6.4663 6.4663 6.7218 6.7218 7.6980 7.6980 k = 0.2689-0.8927 0.5223 ( 6258 PWs) bands (ev): -25.7827 -25.7827 -25.7781 -25.7781 -9.5130 -9.5130 -9.5024 -9.5024 -9.2775 -9.2775 -9.2537 -9.2537 -9.2026 -9.2026 -9.1866 -9.1866 -4.9345 -4.9345 -3.8912 -3.8912 -3.6661 -3.6661 -3.0118 -3.0118 1.1920 1.1920 1.4321 1.4321 1.8861 1.8861 2.7963 2.7963 3.4934 3.4934 4.1136 4.1136 4.2113 4.2113 6.0042 6.0042 6.4663 6.4663 6.7218 6.7218 7.6980 7.6980 k = 0.2621-0.8704 0.5223 ( 6256 PWs) bands (ev): -25.7828 -25.7828 -25.7780 -25.7780 -9.5135 -9.5135 -9.5025 -9.5025 -9.2779 -9.2779 -9.2536 -9.2536 -9.2029 -9.2029 -9.1864 -9.1864 -4.9223 -4.9223 -3.8077 -3.8077 -3.6980 -3.6980 -3.0835 -3.0835 1.2246 1.2246 1.3773 1.3773 1.9285 1.9285 2.7743 2.7743 3.4768 3.4768 4.0743 4.0743 4.2187 4.2187 6.0169 6.0169 6.5056 6.5056 6.6892 6.6892 7.7047 7.7047 k = 0.2554-0.8481 0.5223 ( 6252 PWs) bands (ev): -25.7828 -25.7828 -25.7779 -25.7779 -9.5139 -9.5139 -9.5024 -9.5024 -9.2782 -9.2782 -9.2534 -9.2534 -9.2032 -9.2032 -9.1863 -9.1863 -4.9201 -4.9201 -3.7269 -3.7269 -3.7181 -3.7181 -3.1522 -3.1522 1.2464 1.2464 1.3356 1.3356 1.9759 1.9759 2.7549 2.7549 3.4543 3.4543 4.0268 4.0268 4.2386 4.2386 6.0332 6.0332 6.5484 6.5484 6.6600 6.6600 7.7106 7.7106 k = 0.2487-0.8258 0.5223 ( 6254 PWs) bands (ev): -25.7829 -25.7829 -25.7778 -25.7778 -9.5141 -9.5141 -9.5022 -9.5022 -9.2784 -9.2784 -9.2530 -9.2530 -9.2035 -9.2035 -9.1861 -9.1861 -4.9283 -4.9283 -3.7277 -3.7277 -3.6516 -3.6516 -3.2131 -3.2131 1.2256 1.2256 1.3403 1.3403 2.0250 2.0250 2.7391 2.7391 3.4287 3.4287 3.9743 3.9743 4.2663 4.2663 6.0528 6.0528 6.5852 6.5852 6.6432 6.6432 7.7155 7.7155 k = 0.2420-0.8035 0.5223 ( 6252 PWs) bands (ev): -25.7829 -25.7829 -25.7778 -25.7778 -9.5143 -9.5143 -9.5018 -9.5018 -9.2785 -9.2785 -9.2526 -9.2526 -9.2039 -9.2039 -9.1861 -9.1861 -4.9466 -4.9466 -3.7253 -3.7253 -3.5941 -3.5941 -3.2554 -3.2554 1.1795 1.1795 1.3744 1.3744 2.0732 2.0732 2.7282 2.7282 3.4026 3.4026 3.9186 3.9186 4.2988 4.2988 6.0750 6.0750 6.5842 6.5842 6.6705 6.6705 7.7192 7.7192 k = 0.2353-0.7811 0.5223 ( 6246 PWs) bands (ev): -25.7830 -25.7830 -25.7777 -25.7777 -9.5143 -9.5143 -9.5012 -9.5012 -9.2784 -9.2784 -9.2520 -9.2520 -9.2043 -9.2043 -9.1860 -9.1860 -4.9744 -4.9744 -3.7124 -3.7124 -3.5737 -3.5737 -3.2591 -3.2591 1.1318 1.1318 1.4139 1.4139 2.1185 2.1185 2.7236 2.7236 3.3787 3.3787 3.8607 3.8607 4.3339 4.3339 6.0993 6.0993 6.5643 6.5643 6.7226 6.7226 7.7217 7.7217 k = 0.2285-0.7588 0.5223 ( 6244 PWs) bands (ev): -25.7832 -25.7832 -25.7777 -25.7777 -9.5142 -9.5142 -9.5004 -9.5004 -9.2782 -9.2782 -9.2512 -9.2512 -9.2047 -9.2047 -9.1861 -9.1861 -5.0102 -5.0102 -3.6908 -3.6908 -3.5982 -3.5982 -3.2160 -3.2160 1.0874 1.0874 1.4533 1.4533 2.1590 2.1590 2.7264 2.7264 3.3595 3.3595 3.8015 3.8015 4.3701 4.3701 6.1249 6.1249 6.5444 6.5444 6.7804 6.7804 7.7229 7.7229 k = 0.2218-0.7365 0.5223 ( 6246 PWs) bands (ev): -25.7833 -25.7833 -25.7777 -25.7777 -9.5140 -9.5140 -9.4995 -9.4995 -9.2779 -9.2779 -9.2504 -9.2504 -9.2051 -9.2051 -9.1861 -9.1861 -5.0527 -5.0527 -3.6657 -3.6657 -3.6464 -3.6464 -3.1436 -3.1436 1.0479 1.0479 1.4903 1.4903 2.1929 2.1929 2.7375 2.7375 3.3475 3.3475 3.7418 3.7418 4.4060 4.4060 6.1514 6.1514 6.5275 6.5275 6.8405 6.8405 7.7231 7.7231 k = 0.2151-0.7142 0.5223 ( 6248 PWs) bands (ev): -25.7835 -25.7835 -25.7778 -25.7778 -9.5138 -9.5138 -9.4984 -9.4984 -9.2775 -9.2775 -9.2494 -9.2494 -9.2056 -9.2056 -9.1863 -9.1863 -5.1003 -5.1003 -3.7161 -3.7161 -3.6251 -3.6251 -3.0576 -3.0576 1.0141 1.0141 1.5236 1.5236 2.2189 2.2189 2.7574 2.7574 3.3446 3.3446 3.6825 3.6825 4.4407 4.4407 6.1781 6.1781 6.5144 6.5144 6.9013 6.9013 7.7228 7.7228 k = 0.2084-0.6919 0.5223 ( 6252 PWs) bands (ev): -25.7836 -25.7836 -25.7778 -25.7778 -9.5134 -9.5134 -9.4972 -9.4972 -9.2769 -9.2769 -9.2482 -9.2482 -9.2061 -9.2061 -9.1865 -9.1865 -5.1517 -5.1517 -3.7844 -3.7844 -3.5864 -3.5864 -2.9651 -2.9651 0.9866 0.9866 1.5522 1.5522 2.2360 2.2360 2.7863 2.7863 3.3521 3.3521 3.6246 3.6246 4.4733 4.4733 6.2045 6.2045 6.5059 6.5059 6.9613 6.9613 7.7225 7.7225 k = 0.2017-0.6695 0.5223 ( 6250 PWs) bands (ev): -25.7838 -25.7838 -25.7779 -25.7779 -9.5129 -9.5129 -9.4958 -9.4958 -9.2762 -9.2762 -9.2470 -9.2470 -9.2065 -9.2065 -9.1867 -9.1867 -5.2058 -5.2058 -3.8548 -3.8548 -3.5447 -3.5447 -2.8692 -2.8692 0.9657 0.9657 1.5759 1.5759 2.2438 2.2438 2.8239 2.8239 3.3699 3.3699 3.5699 3.5699 4.5033 4.5033 6.2301 6.2301 6.5023 6.5023 7.0187 7.0187 7.7235 7.7235 k = 0.1949-0.6472 0.5223 ( 6246 PWs) bands (ev): -25.7840 -25.7840 -25.7779 -25.7779 -9.5124 -9.5124 -9.4943 -9.4943 -9.2754 -9.2754 -9.2456 -9.2456 -9.2070 -9.2070 -9.1870 -9.1870 -5.2615 -5.2615 -3.9254 -3.9254 -3.5013 -3.5013 -2.7714 -2.7714 0.9518 0.9518 1.5946 1.5946 2.2425 2.2425 2.8693 2.8693 3.3940 3.3940 3.5232 3.5232 4.5304 4.5304 6.2548 6.2548 6.5037 6.5037 7.0714 7.0714 7.7273 7.7273 k = 0.1882-0.6249 0.5223 ( 6250 PWs) bands (ev): -25.7843 -25.7843 -25.7780 -25.7780 -9.5118 -9.5118 -9.4927 -9.4927 -9.2745 -9.2745 -9.2441 -9.2441 -9.2075 -9.2075 -9.1873 -9.1873 -5.3182 -5.3182 -3.9955 -3.9955 -3.4574 -3.4574 -2.6725 -2.6725 0.9452 0.9452 1.6088 1.6088 2.2327 2.2327 2.9209 2.9209 3.4074 3.4074 3.5023 3.5023 4.5542 4.5542 6.2783 6.2783 6.5101 6.5101 7.1168 7.1168 7.7363 7.7363 k = 0.1815-0.6026 0.5223 ( 6250 PWs) bands (ev): -25.7845 -25.7845 -25.7781 -25.7781 -9.5112 -9.5112 -9.4911 -9.4911 -9.2735 -9.2735 -9.2425 -9.2425 -9.2079 -9.2079 -9.1877 -9.1877 -5.3752 -5.3752 -4.0645 -4.0645 -3.4136 -3.4136 -2.5732 -2.5732 0.9462 0.9462 1.6194 1.6194 2.2155 2.2155 2.9755 2.9755 3.3895 3.3895 3.5292 3.5292 4.5749 4.5749 6.3006 6.3006 6.5215 6.5215 7.1521 7.1521 7.7527 7.7527 k = 0.1748-0.5803 0.5223 ( 6260 PWs) bands (ev): -25.7848 -25.7848 -25.7782 -25.7782 -9.5105 -9.5105 -9.4893 -9.4893 -9.2724 -9.2724 -9.2407 -9.2407 -9.2083 -9.2083 -9.1881 -9.1881 -5.4320 -5.4320 -4.1322 -4.1322 -3.3709 -3.3709 -2.4741 -2.4741 0.9549 0.9549 1.6273 1.6273 2.1923 2.1923 3.0260 3.0260 3.3677 3.3677 3.5812 3.5812 4.5927 4.5927 6.3216 6.3216 6.5375 6.5375 7.1750 7.1750 7.7785 7.7785 k = 0.1680-0.5580 0.5223 ( 6266 PWs) bands (ev): -25.7850 -25.7850 -25.7784 -25.7784 -9.5098 -9.5098 -9.4876 -9.4876 -9.2713 -9.2713 -9.2388 -9.2388 -9.2087 -9.2087 -9.1885 -9.1885 -5.4881 -5.4881 -4.1982 -4.1982 -3.3296 -3.3296 -2.3756 -2.3756 0.9715 0.9715 1.6336 1.6336 2.1645 2.1645 3.0603 3.0603 3.3672 3.3672 3.6426 3.6426 4.6082 4.6082 6.3411 6.3411 6.5581 6.5581 7.1843 7.1843 7.8143 7.8143 k = 0.1613-0.5356 0.5223 ( 6264 PWs) bands (ev): -25.7853 -25.7853 -25.7785 -25.7785 -9.5091 -9.5091 -9.4858 -9.4858 -9.2700 -9.2700 -9.2368 -9.2368 -9.2091 -9.2091 -9.1889 -9.1889 -5.5433 -5.5433 -4.2624 -4.2624 -3.2903 -3.2903 -2.2782 -2.2782 0.9960 0.9960 1.6392 1.6392 2.1336 2.1336 3.0673 3.0673 3.4014 3.4014 3.7083 3.7083 4.6220 4.6220 6.3591 6.3591 6.5829 6.5829 7.1806 7.1806 7.8590 7.8590 k = 0.1546-0.5133 0.5223 ( 6266 PWs) bands (ev): -25.7856 -25.7856 -25.7787 -25.7787 -9.5083 -9.5083 -9.4839 -9.4839 -9.2687 -9.2687 -9.2347 -9.2347 -9.2093 -9.2093 -9.1894 -9.1894 -5.5973 -5.5973 -4.3246 -4.3246 -3.2533 -3.2533 -2.1823 -2.1823 1.0284 1.0284 1.6451 1.6451 2.1006 2.1006 3.0505 3.0505 3.4666 3.4666 3.7756 3.7756 4.6351 4.6351 6.3753 6.3753 6.6120 6.6120 7.1655 7.1655 7.9104 7.9104 k = 0.1479-0.4910 0.5223 ( 6260 PWs) bands (ev): -25.7859 -25.7859 -25.7788 -25.7788 -9.5076 -9.5076 -9.4821 -9.4821 -9.2674 -9.2674 -9.2325 -9.2325 -9.2096 -9.2096 -9.1898 -9.1898 -5.6498 -5.6498 -4.3848 -4.3848 -3.2189 -3.2189 -2.0884 -2.0884 1.0684 1.0684 1.6519 1.6519 2.0669 2.0669 3.0215 3.0215 3.5512 3.5512 3.8422 3.8422 4.6487 4.6487 6.3895 6.3895 6.6450 6.6450 7.1409 7.1409 7.9657 7.9657 k = 0.1412-0.4687 0.5223 ( 6256 PWs) bands (ev): -25.7862 -25.7862 -25.7790 -25.7790 -9.5069 -9.5069 -9.4804 -9.4804 -9.2660 -9.2660 -9.2302 -9.2302 -9.2097 -9.2097 -9.1903 -9.1903 -5.7007 -5.7007 -4.4427 -4.4427 -3.1873 -3.1873 -1.9968 -1.9968 1.1158 1.1158 1.6603 1.6603 2.0335 2.0335 2.9879 2.9879 3.6466 3.6466 3.9060 3.9060 4.6643 4.6643 6.4015 6.4015 6.6817 6.6817 7.1088 7.1088 8.0218 8.0218 k = 0.1344-0.4464 0.5223 ( 6256 PWs) bands (ev): -25.7864 -25.7864 -25.7792 -25.7792 -9.5062 -9.5062 -9.4786 -9.4786 -9.2646 -9.2646 -9.2279 -9.2279 -9.2097 -9.2097 -9.1907 -9.1907 -5.7498 -5.7498 -4.4984 -4.4984 -3.1585 -3.1585 -1.9081 -1.9081 1.1701 1.1701 1.6705 1.6705 2.0016 2.0016 2.9537 2.9537 3.7477 3.7477 3.9656 3.9656 4.6833 4.6833 6.4113 6.4113 6.7217 6.7217 7.0709 7.0709 8.0758 8.0758 k = 0.1277-0.4240 0.5223 ( 6256 PWs) bands (ev): -25.7867 -25.7867 -25.7793 -25.7793 -9.5056 -9.5056 -9.4770 -9.4770 -9.2633 -9.2633 -9.2255 -9.2255 -9.2096 -9.2096 -9.1910 -9.1910 -5.7970 -5.7970 -4.5517 -4.5517 -3.1325 -3.1325 -1.8227 -1.8227 1.2304 1.2304 1.6826 1.6826 1.9725 1.9725 2.9212 2.9212 3.8505 3.8505 4.0203 4.0203 4.7072 4.7072 6.4189 6.4189 6.7644 6.7644 7.0286 7.0286 8.1246 8.1246 k = 0.1210-0.4017 0.5223 ( 6246 PWs) bands (ev): -25.7870 -25.7870 -25.7795 -25.7795 -9.5050 -9.5050 -9.4754 -9.4754 -9.2620 -9.2620 -9.2231 -9.2231 -9.2094 -9.2094 -9.1913 -9.1913 -5.8421 -5.8421 -4.6026 -4.6026 -3.1095 -3.1095 -1.7409 -1.7409 1.2955 1.2955 1.6963 1.6963 1.9480 1.9480 2.8918 2.8918 3.9487 3.9487 4.0733 4.0733 4.7369 4.7369 6.4243 6.4243 6.8086 6.8086 6.9840 6.9840 8.1640 8.1640 k = 0.1143-0.3794 0.5223 ( 6242 PWs) bands (ev): -25.7873 -25.7873 -25.7797 -25.7797 -9.5044 -9.5044 -9.4738 -9.4738 -9.2608 -9.2608 -9.2207 -9.2207 -9.2091 -9.2091 -9.1916 -9.1916 -5.8852 -5.8852 -4.6510 -4.6510 -3.0891 -3.0891 -1.6632 -1.6632 1.3634 1.3634 1.7109 1.7109 1.9310 1.9310 2.8664 2.8664 4.0271 4.0271 4.1372 4.1372 4.7728 4.7728 6.4276 6.4276 6.8501 6.8501 6.9413 6.9413 8.1495 8.1495 k = 0.1075-0.3571 0.5223 ( 6236 PWs) bands (ev): -25.7875 -25.7875 -25.7799 -25.7799 -9.5039 -9.5039 -9.4724 -9.4724 -9.2597 -9.2597 -9.2185 -9.2185 -9.2086 -9.2086 -9.1917 -9.1917 -5.9261 -5.9261 -4.6968 -4.6968 -3.0714 -3.0714 -1.5899 -1.5899 1.4304 1.4304 1.7257 1.7257 1.9251 1.9251 2.8460 2.8460 4.0722 4.0722 4.2241 4.2241 4.8145 4.8145 6.4286 6.4286 6.8605 6.8605 6.9290 6.9290 8.0216 8.0216 k = 0.1008-0.3348 0.5223 ( 6230 PWs) bands (ev): -25.7878 -25.7878 -25.7800 -25.7800 -9.5035 -9.5035 -9.4710 -9.4710 -9.2587 -9.2587 -9.2164 -9.2164 -9.2078 -9.2078 -9.1917 -9.1917 -5.9648 -5.9648 -4.7401 -4.7401 -3.0561 -3.0561 -1.5212 -1.5212 1.4909 1.4909 1.7414 1.7414 1.9347 1.9347 2.8316 2.8316 4.0949 4.0949 4.3222 4.3222 4.8608 4.8608 6.4274 6.4274 6.8227 6.8227 6.9633 6.9633 7.8847 7.8847 k = 0.0941-0.3125 0.5223 ( 6222 PWs) bands (ev): -25.7880 -25.7880 -25.7802 -25.7802 -9.5030 -9.5030 -9.4698 -9.4698 -9.2578 -9.2578 -9.2146 -9.2146 -9.2068 -9.2068 -9.1916 -9.1916 -6.0011 -6.0011 -4.7808 -4.7808 -3.0430 -3.0430 -1.4573 -1.4573 1.5365 1.5365 1.7615 1.7615 1.9634 1.9634 2.8239 2.8239 4.1054 4.1054 4.4206 4.4206 4.9102 4.9102 6.4238 6.4238 6.7780 6.7780 7.0004 7.0004 7.7506 7.7506 k = 0.0874-0.2901 0.5223 ( 6222 PWs) bands (ev): -25.7883 -25.7883 -25.7804 -25.7804 -9.5027 -9.5027 -9.4686 -9.4686 -9.2570 -9.2570 -9.2133 -9.2133 -9.2055 -9.2055 -9.1913 -9.1913 -6.0351 -6.0351 -4.8187 -4.8187 -3.0320 -3.0320 -1.3985 -1.3985 1.5612 1.5612 1.7889 1.7889 2.0132 2.0132 2.8240 2.8240 4.1081 4.1081 4.5139 4.5139 4.9612 4.9612 6.4175 6.4175 6.7359 6.7359 7.0236 7.0236 7.6306 7.6306 k = 0.0807-0.2678 0.5223 ( 6224 PWs) bands (ev): -25.7885 -25.7885 -25.7805 -25.7805 -9.5023 -9.5023 -9.4676 -9.4676 -9.2563 -9.2563 -9.2123 -9.2123 -9.2039 -9.2039 -9.1909 -9.1909 -6.0667 -6.0667 -4.8540 -4.8540 -3.0228 -3.0228 -1.3448 -1.3448 1.5674 1.5674 1.8203 1.8203 2.0834 2.0834 2.8324 2.8324 4.1051 4.1051 4.5986 4.5986 5.0123 5.0123 6.4087 6.4087 6.6998 6.6998 7.0155 7.0155 7.5428 7.5428 k = 0.0739-0.2455 0.5223 ( 6230 PWs) bands (ev): -25.7888 -25.7888 -25.7807 -25.7807 -9.5021 -9.5021 -9.4666 -9.4666 -9.2558 -9.2558 -9.2116 -9.2116 -9.2021 -9.2021 -9.1904 -9.1904 -6.0959 -6.0959 -4.8866 -4.8866 -3.0153 -3.0153 -1.2961 -1.2961 1.5621 1.5621 1.8504 1.8504 2.1705 2.1705 2.8499 2.8499 4.0978 4.0978 4.6714 4.6714 5.0621 5.0621 6.3980 6.3980 6.6715 6.6715 6.9603 6.9603 7.5049 7.5049 k = 0.0672-0.2232 0.5223 ( 6232 PWs) bands (ev): -25.7890 -25.7890 -25.7809 -25.7809 -9.5018 -9.5018 -9.4658 -9.4658 -9.2553 -9.2553 -9.2111 -9.2111 -9.2003 -9.2003 -9.1897 -9.1897 -6.1226 -6.1226 -4.9164 -4.9164 -3.0092 -3.0092 -1.2525 -1.2525 1.5511 1.5511 1.8766 1.8766 2.2698 2.2698 2.8764 2.8764 4.0872 4.0872 4.7296 4.7296 5.1093 5.1093 6.3866 6.3866 6.6505 6.6505 6.8657 6.8657 7.5127 7.5127 k = 0.0605-0.2009 0.5223 ( 6230 PWs) bands (ev): -25.7892 -25.7892 -25.7810 -25.7810 -9.5016 -9.5016 -9.4650 -9.4650 -9.2549 -9.2549 -9.2108 -9.2108 -9.1986 -9.1986 -9.1888 -9.1888 -6.1468 -6.1468 -4.9434 -4.9434 -3.0043 -3.0043 -1.2139 -1.2139 1.5377 1.5377 1.8984 1.8984 2.3769 2.3769 2.9117 2.9117 4.0738 4.0738 4.7711 4.7711 5.1524 5.1524 6.3762 6.3762 6.6260 6.6260 6.7639 6.7639 7.5462 7.5462 k = 0.0538-0.1785 0.5223 ( 6236 PWs) bands (ev): -25.7894 -25.7894 -25.7811 -25.7811 -9.5014 -9.5014 -9.4644 -9.4644 -9.2546 -9.2546 -9.2106 -9.2106 -9.1969 -9.1969 -9.1879 -9.1879 -6.1686 -6.1686 -4.9677 -4.9677 -3.0004 -3.0004 -1.1800 -1.1800 1.5238 1.5238 1.9158 1.9158 2.4886 2.4886 2.9546 2.9546 4.0581 4.0581 4.7945 4.7945 5.1905 5.1905 6.3661 6.3661 6.5576 6.5576 6.7141 6.7141 7.5878 7.5878 k = 0.0471-0.1562 0.5223 ( 6242 PWs) bands (ev): -25.7895 -25.7895 -25.7813 -25.7813 -9.5013 -9.5013 -9.4638 -9.4638 -9.2544 -9.2544 -9.2105 -9.2105 -9.1955 -9.1955 -9.1870 -9.1870 -6.1878 -6.1878 -4.9891 -4.9891 -2.9974 -2.9974 -1.1507 -1.1507 1.5103 1.5103 1.9293 1.9293 2.6019 2.6019 3.0036 3.0036 4.0403 4.0403 4.8003 4.8003 5.2230 5.2230 6.3453 6.3453 6.4605 6.4605 6.7224 6.7224 7.6221 7.6221 k = 0.0403-0.1339 0.5223 ( 6238 PWs) bands (ev): -25.7896 -25.7896 -25.7814 -25.7814 -9.5012 -9.5012 -9.4633 -9.4633 -9.2542 -9.2542 -9.2105 -9.2105 -9.1942 -9.1942 -9.1860 -9.1860 -6.2044 -6.2044 -5.0077 -5.0077 -2.9951 -2.9951 -1.1259 -1.1259 1.4979 1.4979 1.9395 1.9395 2.7142 2.7142 3.0563 3.0563 4.0206 4.0206 4.7901 4.7901 5.2497 5.2497 6.2752 6.2752 6.4106 6.4106 6.7567 6.7567 7.6310 7.6310 k = 0.0336-0.1116 0.5223 ( 6234 PWs) bands (ev): -25.7898 -25.7898 -25.7815 -25.7815 -9.5011 -9.5011 -9.4629 -9.4629 -9.2541 -9.2541 -9.2105 -9.2105 -9.1931 -9.1931 -9.1851 -9.1851 -6.2186 -6.2186 -5.0235 -5.0235 -2.9933 -2.9933 -1.1052 -1.1052 1.4870 1.4870 1.9468 1.9468 2.8227 2.8227 3.1096 3.1096 3.9992 3.9992 4.7675 4.7675 5.2712 5.2712 6.1735 6.1735 6.4016 6.4016 6.8078 6.8078 7.6041 7.6041 k = 0.0269-0.0893 0.5223 ( 6230 PWs) bands (ev): -25.7899 -25.7899 -25.7815 -25.7815 -9.5010 -9.5010 -9.4626 -9.4626 -9.2540 -9.2540 -9.2105 -9.2105 -9.1921 -9.1921 -9.1844 -9.1844 -6.2302 -6.2302 -5.0364 -5.0364 -2.9921 -2.9921 -1.0886 -1.0886 1.4778 1.4778 1.9520 1.9520 2.9240 2.9240 3.1601 3.1601 3.9768 3.9768 4.7373 4.7373 5.2879 5.2879 6.0767 6.0767 6.4013 6.4013 6.8718 6.8718 7.5508 7.5508 k = 0.0202-0.0670 0.5223 ( 6240 PWs) bands (ev): -25.7900 -25.7900 -25.7816 -25.7816 -9.5009 -9.5009 -9.4623 -9.4623 -9.2539 -9.2539 -9.2105 -9.2105 -9.1914 -9.1914 -9.1837 -9.1837 -6.2392 -6.2392 -5.0464 -5.0464 -2.9912 -2.9912 -1.0759 -1.0759 1.4705 1.4705 1.9554 1.9554 3.0141 3.0141 3.2036 3.2036 3.9547 3.9547 4.7050 4.7050 5.3002 5.3002 5.9954 5.9954 6.4027 6.4027 6.9449 6.9449 7.4840 7.4840 k = 0.0134-0.0446 0.5223 ( 6242 PWs) bands (ev): -25.7900 -25.7900 -25.7816 -25.7816 -9.5009 -9.5009 -9.4622 -9.4622 -9.2539 -9.2539 -9.2105 -9.2105 -9.1909 -9.1909 -9.1832 -9.1832 -6.2456 -6.2456 -5.0536 -5.0536 -2.9906 -2.9906 -1.0669 -1.0669 1.4652 1.4652 1.9575 1.9575 3.0876 3.0876 3.2360 3.2360 3.9351 3.9351 4.6764 4.6764 5.3085 5.3085 5.9344 5.9344 6.4040 6.4040 7.0218 7.0218 7.4117 7.4117 k = 0.0067-0.0223 0.5223 ( 6242 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5009 -9.5009 -9.4621 -9.4621 -9.2539 -9.2539 -9.2105 -9.2105 -9.1906 -9.1906 -9.1829 -9.1829 -6.2495 -6.2495 -5.0579 -5.0579 -2.9903 -2.9903 -1.0616 -1.0616 1.4620 1.4620 1.9587 1.9587 3.1376 3.1376 3.2548 3.2548 3.9212 3.9212 4.6568 4.6568 5.3132 5.3132 5.8966 5.8966 6.4049 6.4049 7.0934 7.0934 7.3433 7.3433 k = 0.0000 0.0000 0.5223 ( 6246 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5009 -9.5009 -9.4620 -9.4620 -9.2538 -9.2538 -9.2105 -9.2105 -9.1905 -9.1905 -9.1828 -9.1828 -6.2508 -6.2508 -5.0594 -5.0594 -2.9902 -2.9902 -1.0598 -1.0598 1.4609 1.4609 1.9591 1.9591 3.1558 3.1558 3.2606 3.2606 3.9161 3.9161 4.6498 4.6498 5.3147 5.3147 5.8838 5.8838 6.4052 6.4052 7.1300 7.1300 7.3078 7.3078 k = 0.0000 0.0000 0.5223 ( 6246 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5009 -9.5009 -9.4620 -9.4620 -9.2538 -9.2538 -9.2105 -9.2105 -9.1905 -9.1905 -9.1828 -9.1828 -6.2508 -6.2508 -5.0594 -5.0594 -2.9902 -2.9902 -1.0598 -1.0598 1.4609 1.4609 1.9591 1.9591 3.1558 3.1558 3.2606 3.2606 3.9161 3.9161 4.6498 4.6498 5.3147 5.3147 5.8838 5.8838 6.4052 6.4052 7.1300 7.1300 7.3078 7.3078 k = 0.0219 0.0066 0.5223 ( 6242 PWs) bands (ev): -25.7901 -25.7901 -25.7817 -25.7817 -9.5008 -9.5008 -9.4621 -9.4621 -9.2538 -9.2538 -9.2106 -9.2106 -9.1907 -9.1907 -9.1826 -9.1826 -6.2500 -6.2500 -5.0611 -5.0611 -2.9880 -2.9880 -1.0628 -1.0628 1.4614 1.4614 1.9645 1.9645 3.1459 3.1459 3.2711 3.2711 3.9134 3.9134 4.6500 4.6500 5.3128 5.3128 5.8845 5.8845 6.4048 6.4048 7.1309 7.1309 7.3056 7.3056 k = 0.0438 0.0132 0.5223 ( 6245 PWs) bands (ev): -25.7900 -25.7900 -25.7817 -25.7817 -9.5008 -9.5008 -9.4622 -9.4622 -9.2537 -9.2537 -9.2106 -9.2106 -9.1911 -9.1911 -9.1822 -9.1822 -6.2477 -6.2477 -5.0664 -5.0664 -2.9813 -2.9813 -1.0717 -1.0717 1.4629 1.4629 1.9807 1.9807 3.1231 3.1231 3.2954 3.2954 3.9055 3.9055 4.6506 4.6506 5.3068 5.3068 5.8865 5.8865 6.4037 6.4037 7.1333 7.1333 7.2992 7.2992 k = 0.0657 0.0198 0.5223 ( 6247 PWs) bands (ev): -25.7900 -25.7900 -25.7818 -25.7818 -9.5007 -9.5007 -9.4625 -9.4625 -9.2536 -9.2536 -9.2108 -9.2108 -9.1918 -9.1918 -9.1815 -9.1815 -6.2438 -6.2438 -5.0750 -5.0750 -2.9703 -2.9703 -1.0864 -1.0864 1.4661 1.4661 2.0068 2.0068 3.0957 3.0957 3.3254 3.3254 3.8925 3.8925 4.6520 4.6520 5.2964 5.2964 5.8901 5.8901 6.4018 6.4018 7.1366 7.1366 7.2892 7.2892 k = 0.0876 0.0264 0.5223 ( 6253 PWs) bands (ev): -25.7899 -25.7899 -25.7818 -25.7818 -9.5006 -9.5006 -9.4628 -9.4628 -9.2534 -9.2534 -9.2110 -9.2110 -9.1924 -9.1924 -9.1807 -9.1807 -6.2384 -6.2384 -5.0869 -5.0869 -2.9550 -2.9550 -1.1068 -1.1068 1.4715 1.4715 2.0418 2.0418 3.0670 3.0670 3.3574 3.3574 3.8745 3.8745 4.6545 4.6545 5.2810 5.2810 5.8954 5.8954 6.3992 6.3992 7.1398 7.1398 7.2769 7.2769 k = 0.1095 0.0330 0.5223 ( 6252 PWs) bands (ev): -25.7899 -25.7899 -25.7819 -25.7819 -9.5005 -9.5005 -9.4632 -9.4632 -9.2532 -9.2532 -9.2113 -9.2113 -9.1931 -9.1931 -9.1799 -9.1799 -6.2315 -6.2315 -5.1018 -5.1018 -2.9357 -2.9357 -1.1325 -1.1325 1.4799 1.4799 2.0846 2.0846 3.0383 3.0383 3.3898 3.3898 3.8520 3.8520 4.6583 4.6583 5.2603 5.2603 5.9026 5.9026 6.3961 6.3961 7.1408 7.1408 7.2643 7.2643 k = 0.1314 0.0396 0.5223 ( 6255 PWs) bands (ev): -25.7898 -25.7898 -25.7820 -25.7820 -9.5003 -9.5003 -9.4637 -9.4637 -9.2529 -9.2529 -9.2118 -9.2118 -9.1936 -9.1936 -9.1791 -9.1791 -6.2231 -6.2231 -5.1194 -5.1194 -2.9124 -2.9124 -1.1632 -1.1632 1.4917 1.4917 2.1341 2.1341 3.0103 3.0103 3.4217 3.4217 3.8257 3.8257 4.6637 4.6637 5.2342 5.2342 5.9112 5.9112 6.3927 6.3927 7.1369 7.1369 7.2543 7.2543 k = 0.1533 0.0462 0.5223 ( 6259 PWs) bands (ev): -25.7896 -25.7896 -25.7821 -25.7821 -9.5000 -9.5000 -9.4644 -9.4644 -9.2525 -9.2525 -9.2125 -9.2125 -9.1939 -9.1939 -9.1784 -9.1784 -6.2134 -6.2134 -5.1396 -5.1396 -2.8854 -2.8854 -1.1986 -1.1986 1.5075 1.5075 2.1891 2.1891 2.9832 2.9832 3.4517 3.4517 3.7968 3.7968 4.6705 4.6705 5.2030 5.2030 5.9208 5.9208 6.3891 6.3891 7.1255 7.1255 7.2498 7.2498 k = 0.1752 0.0528 0.5223 ( 6251 PWs) bands (ev): -25.7895 -25.7895 -25.7823 -25.7823 -9.4997 -9.4997 -9.4650 -9.4650 -9.2521 -9.2521 -9.2133 -9.2133 -9.1941 -9.1941 -9.1777 -9.1777 -6.2023 -6.2023 -5.1620 -5.1620 -2.8550 -2.8550 -1.2383 -1.2383 1.5273 1.5273 2.2484 2.2484 2.9573 2.9573 3.4784 3.4784 3.7672 3.7672 4.6780 4.6780 5.1677 5.1677 5.9306 5.9306 6.3857 6.3857 7.1063 7.1063 7.2512 7.2512 k = 0.1971 0.0594 0.5223 ( 6255 PWs) bands (ev): -25.7893 -25.7893 -25.7824 -25.7824 -9.4994 -9.4994 -9.4658 -9.4658 -9.2516 -9.2516 -9.2143 -9.2143 -9.1940 -9.1940 -9.1770 -9.1770 -6.1900 -6.1900 -5.1862 -5.1862 -2.8213 -2.8213 -1.2819 -1.2819 1.5512 1.5512 2.3110 2.3110 2.9331 2.9331 3.4989 3.4989 3.7402 3.7402 4.6850 4.6850 5.1299 5.1299 5.9396 5.9396 6.3829 6.3829 7.0811 7.0811 7.2568 7.2568 k = 0.2190 0.0660 0.5223 ( 6263 PWs) bands (ev): -25.7892 -25.7892 -25.7826 -25.7826 -9.4990 -9.4990 -9.4667 -9.4667 -9.2511 -9.2511 -9.2155 -9.2155 -9.1938 -9.1938 -9.1764 -9.1764 -6.1766 -6.1766 -5.2119 -5.2119 -2.7845 -2.7845 -1.3288 -1.3288 1.5790 1.5790 2.3755 2.3755 2.9108 2.9108 3.5091 3.5091 3.7206 3.7206 4.6894 4.6894 5.0921 5.0921 5.9467 5.9467 6.3812 6.3812 7.0520 7.0520 7.2646 7.2646 k = 0.2409 0.0726 0.5223 ( 6262 PWs) bands (ev): -25.7890 -25.7890 -25.7828 -25.7828 -9.4985 -9.4985 -9.4676 -9.4676 -9.2506 -9.2506 -9.2168 -9.2168 -9.1934 -9.1934 -9.1760 -9.1760 -6.1621 -6.1621 -5.2387 -5.2387 -2.7449 -2.7449 -1.3788 -1.3788 1.6105 1.6105 2.4403 2.4403 2.8913 2.8913 3.5048 3.5048 3.7131 3.7131 4.6879 4.6879 5.0580 5.0580 5.9509 5.9509 6.3809 6.3809 7.0208 7.0208 7.2729 7.2729 k = 0.2628 0.0792 0.5223 ( 6254 PWs) bands (ev): -25.7888 -25.7888 -25.7830 -25.7830 -9.4980 -9.4980 -9.4686 -9.4686 -9.2500 -9.2500 -9.2182 -9.2182 -9.1929 -9.1929 -9.1755 -9.1755 -6.1469 -6.1469 -5.2662 -5.2662 -2.7028 -2.7028 -1.4314 -1.4314 1.6453 1.6453 2.5031 2.5031 2.8758 2.8758 3.4866 3.4866 3.7183 3.7183 4.6763 4.6763 5.0321 5.0321 5.9518 5.9518 6.3822 6.3822 6.9888 6.9888 7.2807 7.2807 k = 0.2847 0.0857 0.5223 ( 6253 PWs) bands (ev): -25.7886 -25.7886 -25.7832 -25.7832 -9.4974 -9.4974 -9.4696 -9.4696 -9.2493 -9.2493 -9.2196 -9.2196 -9.1923 -9.1923 -9.1752 -9.1752 -6.1309 -6.1309 -5.2940 -5.2940 -2.6583 -2.6583 -1.4861 -1.4861 1.6828 1.6828 2.5602 2.5602 2.8670 2.8670 3.4597 3.4597 3.7318 3.7318 4.6512 4.6512 5.0180 5.0180 5.9488 5.9488 6.3851 6.3851 6.9569 6.9569 7.2870 7.2870 k = 0.3066 0.0923 0.5223 ( 6250 PWs) bands (ev): -25.7884 -25.7884 -25.7834 -25.7834 -9.4968 -9.4968 -9.4707 -9.4707 -9.2486 -9.2486 -9.2211 -9.2211 -9.1916 -9.1916 -9.1749 -9.1749 -6.1146 -6.1146 -5.3217 -5.3217 -2.6117 -2.6117 -1.5425 -1.5425 1.7223 1.7223 2.6061 2.6061 2.8687 2.8687 3.4305 3.4305 3.7488 3.7488 4.6121 4.6121 5.0165 5.0165 5.9422 5.9422 6.3894 6.3894 6.9259 6.9259 7.2911 7.2911 k = 0.3285 0.0989 0.5223 ( 6249 PWs) bands (ev): -25.7882 -25.7882 -25.7836 -25.7836 -9.4961 -9.4961 -9.4718 -9.4718 -9.2479 -9.2479 -9.2226 -9.2226 -9.1909 -9.1909 -9.1748 -9.1748 -6.0981 -6.0981 -5.3488 -5.3488 -2.5633 -2.5633 -1.6002 -1.6002 1.7630 1.7630 2.6349 2.6349 2.8851 2.8851 3.4041 3.4041 3.7660 3.7660 4.5616 4.5616 5.0254 5.0254 5.9324 5.9324 6.3946 6.3946 6.8965 6.8965 7.2927 7.2927 k = 0.3504 0.1055 0.5223 ( 6250 PWs) bands (ev): -25.7879 -25.7879 -25.7838 -25.7838 -9.4954 -9.4954 -9.4729 -9.4729 -9.2472 -9.2472 -9.2240 -9.2240 -9.1902 -9.1902 -9.1746 -9.1746 -6.0819 -6.0819 -5.3748 -5.3748 -2.5132 -2.5132 -1.6588 -1.6588 1.8038 1.8038 2.6454 2.6454 2.9147 2.9147 3.3850 3.3850 3.7813 3.7813 4.5036 4.5036 5.0411 5.0411 5.9201 5.9201 6.4000 6.4000 6.8694 6.8694 7.2915 7.2915 k = 0.3723 0.1121 0.5223 ( 6251 PWs) bands (ev): -25.7877 -25.7877 -25.7840 -25.7840 -9.4947 -9.4947 -9.4740 -9.4740 -9.2465 -9.2465 -9.2254 -9.2254 -9.1895 -9.1895 -9.1746 -9.1746 -6.0663 -6.0663 -5.3991 -5.3991 -2.4619 -2.4619 -1.7178 -1.7178 1.8435 1.8435 2.6427 2.6427 2.9494 2.9494 3.3781 3.3781 3.7929 3.7929 4.4418 4.4418 5.0605 5.0605 5.9064 5.9064 6.4051 6.4051 6.8452 6.8452 7.2877 7.2877 k = 0.3942 0.1187 0.5223 ( 6254 PWs) bands (ev): -25.7875 -25.7875 -25.7843 -25.7843 -9.4940 -9.4940 -9.4750 -9.4750 -9.2457 -9.2457 -9.2267 -9.2267 -9.1888 -9.1888 -9.1746 -9.1746 -6.0518 -6.0518 -5.4211 -5.4211 -2.4098 -2.4098 -1.7766 -1.7766 1.8803 1.8803 2.6329 2.6329 2.9802 2.9802 3.3875 3.3875 3.7989 3.7989 4.3796 4.3796 5.0808 5.0808 5.8923 5.8923 6.4093 6.4093 6.8242 6.8242 7.2818 7.2818 k = 0.4161 0.1253 0.5223 ( 6259 PWs) bands (ev): -25.7873 -25.7873 -25.7845 -25.7845 -9.4933 -9.4933 -9.4759 -9.4759 -9.2451 -9.2451 -9.2278 -9.2278 -9.1881 -9.1881 -9.1746 -9.1746 -6.0390 -6.0390 -5.4401 -5.4401 -2.3576 -2.3576 -1.8344 -1.8344 1.9126 1.9126 2.6206 2.6206 3.0024 3.0024 3.4149 3.4149 3.7974 3.7974 4.3205 4.3205 5.0998 5.0998 5.8790 5.8790 6.4122 6.4122 6.8067 6.8067 7.2743 7.2743 k = 0.4380 0.1319 0.5223 ( 6254 PWs) bands (ev): -25.7871 -25.7871 -25.7847 -25.7847 -9.4928 -9.4928 -9.4767 -9.4767 -9.2445 -9.2445 -9.2287 -9.2287 -9.1876 -9.1876 -9.1747 -9.1747 -6.0285 -6.0285 -5.4555 -5.4555 -2.3066 -2.3066 -1.8899 -1.8899 1.9381 1.9381 2.6091 2.6091 3.0159 3.0159 3.4580 3.4580 3.7864 3.7864 4.2681 4.2681 5.1158 5.1158 5.8678 5.8678 6.4135 6.4135 6.7930 6.7930 7.2659 7.2659 k = 0.4599 0.1385 0.5223 ( 6261 PWs) bands (ev): -25.7869 -25.7869 -25.7849 -25.7849 -9.4924 -9.4924 -9.4773 -9.4773 -9.2441 -9.2441 -9.2295 -9.2295 -9.1871 -9.1871 -9.1748 -9.1748 -6.0209 -6.0209 -5.4666 -5.4666 -2.2596 -2.2596 -1.9402 -1.9402 1.9548 1.9548 2.6010 2.6010 3.0242 3.0242 3.5116 3.5116 3.7641 3.7641 4.2258 4.2258 5.1272 5.1272 5.8598 5.8598 6.4131 6.4131 6.7833 6.7833 7.2575 7.2575 k = 0.5000 0.1506-0.0459 ( 6236 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4851 -9.4851 -9.4754 -9.4754 -9.2367 -9.2367 -9.2254 -9.2254 -9.1903 -9.1903 -9.1724 -9.1724 -6.0636 -6.0636 -5.5318 -5.5318 -2.0267 -2.0267 -1.9745 -1.9745 1.8445 1.8445 2.6778 2.6778 3.2114 3.2114 3.3481 3.3481 3.7091 3.7091 4.1448 4.1448 4.6539 4.6539 5.4948 5.4948 6.5911 6.5911 7.1766 7.1766 7.6006 7.6006 k = 0.5067 0.1284-0.0459 ( 6234 PWs) bands (ev): -25.7867 -25.7867 -25.7850 -25.7850 -9.4851 -9.4851 -9.4754 -9.4754 -9.2367 -9.2367 -9.2254 -9.2254 -9.1904 -9.1904 -9.1725 -9.1725 -6.0623 -6.0623 -5.5304 -5.5304 -2.0265 -2.0265 -1.9760 -1.9760 1.8444 1.8444 2.6719 2.6719 3.2079 3.2079 3.3454 3.3454 3.7050 3.7050 4.1376 4.1376 4.6546 4.6546 5.5165 5.5165 6.5803 6.5803 7.1908 7.1908 7.6011 7.6011 k = 0.5134 0.1062-0.0459 ( 6240 PWs) bands (ev): -25.7867 -25.7867 -25.7849 -25.7849 -9.4852 -9.4852 -9.4755 -9.4755 -9.2369 -9.2369 -9.2254 -9.2254 -9.1907 -9.1907 -9.1728 -9.1728 -6.0586 -6.0586 -5.5261 -5.5261 -2.0263 -2.0263 -1.9803 -1.9803 1.8439 1.8439 2.6545 2.6545 3.1981 3.1981 3.3367 3.3367 3.6923 3.6923 4.1182 4.1182 4.6585 4.6585 5.5778 5.5778 6.5515 6.5515 7.2297 7.2297 7.6024 7.6024 k = 0.5200 0.0840-0.0459 ( 6244 PWs) bands (ev): -25.7867 -25.7867 -25.7849 -25.7849 -9.4853 -9.4853 -9.4756 -9.4756 -9.2372 -9.2372 -9.2253 -9.2253 -9.1912 -9.1912 -9.1732 -9.1732 -6.0524 -6.0524 -5.5190 -5.5190 -2.0258 -2.0258 -1.9876 -1.9876 1.8429 1.8429 2.6263 2.6263 3.1837 3.1837 3.3200 3.3200 3.6704 3.6704 4.0918 4.0918 4.6686 4.6686 5.6699 5.6699 6.5129 6.5129 7.2861 7.2861 7.6045 7.6045 k = 0.5267 0.0619-0.0459 ( 6254 PWs) bands (ev): -25.7866 -25.7866 -25.7848 -25.7848 -9.4855 -9.4855 -9.4758 -9.4758 -9.2376 -9.2376 -9.2252 -9.2252 -9.1918 -9.1918 -9.1737 -9.1737 -6.0437 -6.0437 -5.5090 -5.5090 -2.0253 -2.0253 -1.9978 -1.9978 1.8410 1.8410 2.5888 2.5888 3.1655 3.1655 3.2924 3.2924 3.6426 3.6426 4.0633 4.0633 4.6855 4.6855 5.7831 5.7831 6.4722 6.4722 7.3528 7.3528 7.6073 7.6073 k = 0.5334 0.0397-0.0459 ( 6252 PWs) bands (ev): -25.7866 -25.7866 -25.7847 -25.7847 -9.4857 -9.4857 -9.4760 -9.4760 -9.2380 -9.2380 -9.2251 -9.2251 -9.1926 -9.1926 -9.1744 -9.1744 -6.0326 -6.0326 -5.4962 -5.4962 -2.0248 -2.0248 -2.0111 -2.0111 1.8375 1.8375 2.5442 2.5442 3.1396 3.1396 3.2544 3.2544 3.6161 3.6161 4.0347 4.0347 4.7076 4.7076 5.9095 5.9095 6.4359 6.4359 7.4238 7.4238 7.6109 7.6109 k = 0.5401 0.0175-0.0459 ( 6260 PWs) bands (ev): -25.7865 -25.7865 -25.7846 -25.7846 -9.4859 -9.4859 -9.4763 -9.4763 -9.2386 -9.2386 -9.2250 -9.2250 -9.1935 -9.1935 -9.1752 -9.1752 -6.0190 -6.0190 -5.4806 -5.4806 -2.0286 -2.0286 -2.0235 -2.0235 1.8317 1.8317 2.4957 2.4957 3.0929 3.0929 3.2179 3.2179 3.5977 3.5977 4.0053 4.0053 4.7317 4.7317 6.0423 6.0423 6.4092 6.4092 7.4921 7.4921 7.6170 7.6170 k = 0.5468-0.0047-0.0459 ( 6264 PWs) bands (ev): -25.7864 -25.7864 -25.7845 -25.7845 -9.4862 -9.4862 -9.4767 -9.4767 -9.2393 -9.2393 -9.2249 -9.2249 -9.1945 -9.1945 -9.1761 -9.1761 -6.0030 -6.0030 -5.4621 -5.4621 -2.0482 -2.0482 -2.0237 -2.0237 1.8224 1.8224 2.4467 2.4467 3.0146 3.0146 3.1970 3.1970 3.5895 3.5895 3.9730 3.9730 4.7545 4.7545 6.1745 6.1745 6.3980 6.3980 7.5444 7.5444 7.6330 7.6330 k = 0.5534-0.0269-0.0459 ( 6264 PWs) bands (ev): -25.7863 -25.7863 -25.7843 -25.7843 -9.4865 -9.4865 -9.4771 -9.4771 -9.2401 -9.2401 -9.2250 -9.2250 -9.1956 -9.1956 -9.1771 -9.1771 -5.9846 -5.9846 -5.4408 -5.4408 -2.0717 -2.0717 -2.0239 -2.0239 1.8088 1.8088 2.4006 2.4006 2.9132 2.9132 3.1884 3.1884 3.5900 3.5900 3.9360 3.9360 4.7736 4.7736 6.2891 6.2891 6.4174 6.4174 7.5642 7.5642 7.6664 7.6664 k = 0.5601-0.0491-0.0459 ( 6270 PWs) bands (ev): -25.7862 -25.7862 -25.7842 -25.7842 -9.4870 -9.4870 -9.4776 -9.4776 -9.2411 -9.2411 -9.2251 -9.2251 -9.1967 -9.1967 -9.1781 -9.1781 -5.9638 -5.9638 -5.4167 -5.4167 -2.0991 -2.0991 -2.0247 -2.0247 1.7898 1.7898 2.3604 2.3604 2.7995 2.7995 3.1865 3.1865 3.5966 3.5966 3.8934 3.8934 4.7876 4.7876 6.3507 6.3507 6.5005 6.5005 7.5598 7.5598 7.6928 7.6928 k = 0.5668-0.0712-0.0459 ( 6270 PWs) bands (ev): -25.7860 -25.7860 -25.7840 -25.7840 -9.4874 -9.4874 -9.4781 -9.4781 -9.2421 -9.2421 -9.2254 -9.2254 -9.1977 -9.1977 -9.1792 -9.1792 -5.9406 -5.9406 -5.3898 -5.3898 -2.1303 -2.1303 -2.0262 -2.0262 1.7650 1.7650 2.3279 2.3279 2.6802 2.6802 3.1885 3.1885 3.6067 3.6067 3.8452 3.8452 4.7961 4.7961 6.3845 6.3845 6.6187 6.6187 7.5398 7.5398 7.6844 7.6844 k = 0.5735-0.0934-0.0459 ( 6262 PWs) bands (ev): -25.7858 -25.7858 -25.7838 -25.7838 -9.4880 -9.4880 -9.4788 -9.4788 -9.2432 -9.2432 -9.2258 -9.2258 -9.1986 -9.1986 -9.1802 -9.1802 -5.9151 -5.9151 -5.3600 -5.3600 -2.1655 -2.1655 -2.0288 -2.0288 1.7347 1.7347 2.3033 2.3033 2.5600 2.5600 3.1932 3.1932 3.6160 3.6160 3.7941 3.7941 4.7998 4.7998 6.4198 6.4198 6.7381 6.7381 7.5019 7.5019 7.6462 7.6462 k = 0.5802-0.1156-0.0459 ( 6256 PWs) bands (ev): -25.7857 -25.7857 -25.7835 -25.7835 -9.4885 -9.4885 -9.4794 -9.4794 -9.2444 -9.2444 -9.2265 -9.2265 -9.1995 -9.1995 -9.1813 -9.1813 -5.8873 -5.8873 -5.3275 -5.3275 -2.2049 -2.2049 -2.0327 -2.0327 1.7004 1.7004 2.2837 2.2837 2.4444 2.4444 3.1996 3.1996 3.6140 3.6140 3.7502 3.7502 4.7996 4.7996 6.4608 6.4608 6.8492 6.8492 7.4434 7.4434 7.6045 7.6045 k = 0.5869-0.1378-0.0459 ( 6262 PWs) bands (ev): -25.7855 -25.7855 -25.7833 -25.7833 -9.4892 -9.4892 -9.4802 -9.4802 -9.2457 -9.2457 -9.2274 -9.2274 -9.2001 -9.2001 -9.1823 -9.1823 -5.8573 -5.8573 -5.2922 -5.2922 -2.2485 -2.2485 -2.0383 -2.0383 1.6637 1.6637 2.2517 2.2517 2.3516 2.3516 3.2071 3.2071 3.5802 3.5802 3.7337 3.7337 4.7965 4.7965 6.5066 6.5066 6.9449 6.9449 7.3719 7.3719 7.5699 7.5699 k = 0.5935-0.1600-0.0459 ( 6258 PWs) bands (ev): -25.7853 -25.7853 -25.7830 -25.7830 -9.4899 -9.4899 -9.4811 -9.4811 -9.2471 -9.2471 -9.2285 -9.2285 -9.2006 -9.2006 -9.1833 -9.1833 -5.8251 -5.8251 -5.2542 -5.2542 -2.2963 -2.2963 -2.0457 -2.0457 1.6266 1.6266 2.1700 2.1700 2.3191 2.3191 3.2152 3.2152 3.5151 3.5151 3.7446 3.7446 4.7913 4.7913 6.5553 6.5553 7.0136 7.0136 7.3030 7.3030 7.5433 7.5433 k = 0.6002-0.1822-0.0459 ( 6266 PWs) bands (ev): -25.7852 -25.7852 -25.7828 -25.7828 -9.4908 -9.4908 -9.4820 -9.4820 -9.2486 -9.2486 -9.2299 -9.2299 -9.2008 -9.2008 -9.1842 -9.1842 -5.7907 -5.7907 -5.2134 -5.2134 -2.3483 -2.3483 -2.0555 -2.0555 1.5909 1.5909 2.0661 2.0661 2.3191 2.3191 3.2231 3.2231 3.4347 3.4347 3.7679 3.7679 4.7845 4.7845 6.6046 6.6046 7.0338 7.0338 7.2561 7.2561 7.5291 7.5291 k = 0.6069-0.2043-0.0459 ( 6276 PWs) bands (ev): -25.7850 -25.7850 -25.7825 -25.7825 -9.4916 -9.4916 -9.4830 -9.4830 -9.2501 -9.2501 -9.2314 -9.2314 -9.2009 -9.2009 -9.1851 -9.1851 -5.7543 -5.7543 -5.1698 -5.1698 -2.4045 -2.4045 -2.0679 -2.0679 1.5579 1.5579 1.9623 1.9623 2.3291 2.3291 3.2290 3.2290 3.3478 3.3478 3.7969 3.7969 4.7763 4.7763 6.6520 6.6520 6.9974 6.9974 7.2327 7.2327 7.5346 7.5346 k = 0.6136-0.2265-0.0459 ( 6288 PWs) bands (ev): -25.7848 -25.7848 -25.7823 -25.7823 -9.4926 -9.4926 -9.4841 -9.4841 -9.2517 -9.2517 -9.2331 -9.2331 -9.2008 -9.2008 -9.1858 -9.1858 -5.7159 -5.7159 -5.1236 -5.1236 -2.4647 -2.4647 -2.0833 -2.0833 1.5286 1.5286 1.8634 1.8634 2.3443 2.3443 3.2188 3.2188 3.2715 3.2715 3.8293 3.8293 4.7667 4.7667 6.6944 6.6944 6.9331 6.9331 7.2053 7.2053 7.5548 7.5548 k = 0.6203-0.2487-0.0459 ( 6286 PWs) bands (ev): -25.7846 -25.7846 -25.7820 -25.7820 -9.4936 -9.4936 -9.4852 -9.4852 -9.2534 -9.2534 -9.2348 -9.2348 -9.2006 -9.2006 -9.1865 -9.1865 -5.6756 -5.6756 -5.0747 -5.0747 -2.5287 -2.5287 -2.1020 -2.1020 1.5037 1.5037 1.7710 1.7710 2.3626 2.3626 3.1425 3.1425 3.2573 3.2573 3.8640 3.8640 4.7557 4.7557 6.7243 6.7243 6.8677 6.8677 7.1633 7.1633 7.5606 7.5606 k = 0.6269-0.2709-0.0459 ( 6286 PWs) bands (ev): -25.7845 -25.7845 -25.7817 -25.7817 -9.4947 -9.4947 -9.4864 -9.4864 -9.2551 -9.2551 -9.2366 -9.2366 -9.2003 -9.2003 -9.1871 -9.1871 -5.6335 -5.6335 -5.0231 -5.0231 -2.5962 -2.5962 -2.1243 -2.1243 1.4833 1.4833 1.6866 1.6866 2.3827 2.3827 3.0461 3.0461 3.2605 3.2605 3.9005 3.9005 4.7428 4.7428 6.7194 6.7194 6.8295 6.8295 7.1107 7.1107 7.5432 7.5432 k = 0.6336-0.2931-0.0459 ( 6270 PWs) bands (ev): -25.7843 -25.7843 -25.7814 -25.7814 -9.4958 -9.4958 -9.4876 -9.4876 -9.2568 -9.2568 -9.2385 -9.2385 -9.2000 -9.2000 -9.1875 -9.1875 -5.5897 -5.5897 -4.9688 -4.9688 -2.6669 -2.6669 -2.1506 -2.1506 1.4668 1.4668 1.6118 1.6118 2.4030 2.4030 2.9481 2.9481 3.2641 3.2641 3.9383 3.9383 4.7279 4.7279 6.6697 6.6697 6.8287 6.8287 7.0533 7.0533 7.5236 7.5236 k = 0.6403-0.3152-0.0459 ( 6266 PWs) bands (ev): -25.7841 -25.7841 -25.7811 -25.7811 -9.4969 -9.4969 -9.4889 -9.4889 -9.2585 -9.2585 -9.2403 -9.2403 -9.1996 -9.1996 -9.1879 -9.1879 -5.5443 -5.5443 -4.9120 -4.9120 -2.7405 -2.7405 -2.1810 -2.1810 1.4513 1.4513 1.5497 1.5497 2.4214 2.4214 2.8525 2.8525 3.2663 3.2663 3.9770 3.9770 4.7108 4.7108 6.6078 6.6078 6.8295 6.8295 6.9974 6.9974 7.5110 7.5110 k = 0.6470-0.3374-0.0459 ( 6266 PWs) bands (ev): -25.7839 -25.7839 -25.7809 -25.7809 -9.4981 -9.4981 -9.4902 -9.4902 -9.2602 -9.2602 -9.2421 -9.2421 -9.1992 -9.1992 -9.1881 -9.1881 -5.4976 -5.4976 -4.8526 -4.8526 -2.8165 -2.8165 -2.2158 -2.2158 1.4291 1.4291 1.5086 1.5086 2.4331 2.4331 2.7647 2.7647 3.2666 3.2666 4.0161 4.0161 4.6911 4.6911 6.5474 6.5474 6.8122 6.8122 6.9515 6.9515 7.5085 7.5085 k = 0.6537-0.3596-0.0459 ( 6256 PWs) bands (ev): -25.7837 -25.7837 -25.7806 -25.7806 -9.4994 -9.4994 -9.4915 -9.4915 -9.2618 -9.2618 -9.2438 -9.2438 -9.1988 -9.1988 -9.1882 -9.1882 -5.4497 -5.4497 -4.7906 -4.7906 -2.8944 -2.8944 -2.2550 -2.2550 1.3948 1.3948 1.4939 1.4939 2.4286 2.4286 2.6946 2.6946 3.2644 3.2644 4.0554 4.0554 4.6689 4.6689 6.4923 6.4923 6.7710 6.7710 6.9201 6.9201 7.5161 7.5161 k = 0.6603-0.3818-0.0459 ( 6254 PWs) bands (ev): -25.7836 -25.7836 -25.7803 -25.7803 -9.5006 -9.5006 -9.4928 -9.4928 -9.2635 -9.2635 -9.2454 -9.2454 -9.1985 -9.1985 -9.1882 -9.1882 -5.4008 -5.4008 -4.7262 -4.7262 -2.9739 -2.9739 -2.2987 -2.2987 1.3580 1.3580 1.4958 1.4958 2.3939 2.3939 2.6564 2.6564 3.2595 3.2595 4.0943 4.0943 4.6441 4.6441 6.4438 6.4438 6.7142 6.7142 6.8965 6.8965 7.5324 7.5324 k = 0.6670-0.4040-0.0459 ( 6248 PWs) bands (ev): -25.7834 -25.7834 -25.7800 -25.7800 -9.5019 -9.5019 -9.4940 -9.4940 -9.2650 -9.2650 -9.2468 -9.2468 -9.1982 -9.1982 -9.1881 -9.1881 -5.3513 -5.3513 -4.6593 -4.6593 -3.0542 -3.0542 -2.3468 -2.3468 1.3262 1.3262 1.5063 1.5063 2.3288 2.3288 2.6507 2.6507 3.2517 3.2517 4.1322 4.1322 4.6169 4.6169 6.4027 6.4027 6.6516 6.6516 6.8730 6.8730 7.5552 7.5552 k = 0.6737-0.4262-0.0459 ( 6248 PWs) bands (ev): -25.7833 -25.7833 -25.7798 -25.7798 -9.5032 -9.5032 -9.4953 -9.4953 -9.2665 -9.2665 -9.2482 -9.2482 -9.1981 -9.1981 -9.1879 -9.1879 -5.3014 -5.3014 -4.5900 -4.5900 -3.1348 -3.1348 -2.3992 -2.3992 1.3017 1.3017 1.5227 1.5227 2.2475 2.2475 2.6636 2.6636 3.2410 3.2410 4.1688 4.1688 4.5875 4.5875 6.3692 6.3692 6.5886 6.5886 6.8466 6.8466 7.5819 7.5819 k = 0.6804-0.4483-0.0459 ( 6246 PWs) bands (ev): -25.7831 -25.7831 -25.7795 -25.7795 -9.5044 -9.5044 -9.4965 -9.4965 -9.2680 -9.2680 -9.2494 -9.2494 -9.1979 -9.1979 -9.1876 -9.1876 -5.2515 -5.2515 -4.5185 -4.5185 -3.2150 -3.2150 -2.4555 -2.4555 1.2850 1.2850 1.5432 1.5432 2.1608 2.1608 2.6848 2.6848 3.2272 3.2272 4.2033 4.2033 4.5564 4.5564 6.3435 6.3435 6.5281 6.5281 6.8161 6.8161 7.6102 7.6102 k = 0.6871-0.4705-0.0459 ( 6246 PWs) bands (ev): -25.7830 -25.7830 -25.7793 -25.7793 -9.5056 -9.5056 -9.4976 -9.4976 -9.2694 -9.2694 -9.2504 -9.2504 -9.1979 -9.1979 -9.1873 -9.1873 -5.2023 -5.2023 -4.4447 -4.4447 -3.2942 -3.2942 -2.5155 -2.5155 1.2761 1.2761 1.5663 1.5663 2.0745 2.0745 2.7093 2.7093 3.2107 3.2107 4.2351 4.2351 4.5240 4.5240 6.3250 6.3250 6.4724 6.4724 6.7814 6.7814 7.6384 7.6384 k = 0.6937-0.4927-0.0459 ( 6244 PWs) bands (ev): -25.7829 -25.7829 -25.7791 -25.7791 -9.5068 -9.5068 -9.4987 -9.4987 -9.2706 -9.2706 -9.2513 -9.2513 -9.1980 -9.1980 -9.1868 -9.1868 -5.1541 -5.1541 -4.3689 -4.3689 -3.3715 -3.3715 -2.5788 -2.5788 1.2747 1.2747 1.5896 1.5896 1.9926 1.9926 2.7350 2.7350 3.1915 3.1915 4.2634 4.2634 4.4910 4.4910 6.3123 6.3123 6.4243 6.4243 6.7421 6.7421 7.6658 7.6658 k = 0.7004-0.5149-0.0459 ( 6244 PWs) bands (ev): -25.7828 -25.7828 -25.7789 -25.7789 -9.5079 -9.5079 -9.4996 -9.4996 -9.2718 -9.2718 -9.2521 -9.2521 -9.1981 -9.1981 -9.1863 -9.1863 -5.1080 -5.1080 -4.2911 -4.2911 -3.4459 -3.4459 -2.6449 -2.6449 1.2804 1.2804 1.6084 1.6084 1.9205 1.9205 2.7604 2.7604 3.1702 3.1702 4.2875 4.2875 4.4581 4.4581 6.3015 6.3015 6.3887 6.3887 6.6985 6.6985 7.6925 7.6925 k = 0.7071-0.5371-0.0459 ( 6250 PWs) bands (ev): -25.7828 -25.7828 -25.7787 -25.7787 -9.5090 -9.5090 -9.5004 -9.5004 -9.2729 -9.2729 -9.2527 -9.2527 -9.1983 -9.1983 -9.1858 -9.1858 -5.0646 -5.0646 -4.2115 -4.2115 -3.5165 -3.5165 -2.7133 -2.7133 1.2925 1.2925 1.6134 1.6134 1.8680 1.8680 2.7848 2.7848 3.1472 3.1472 4.3065 4.3065 4.4261 4.4261 6.2858 6.2858 6.3727 6.3727 6.6509 6.6509 7.7196 7.7196 k = 0.7138-0.5593-0.0459 ( 6254 PWs) bands (ev): -25.7828 -25.7828 -25.7785 -25.7785 -9.5099 -9.5099 -9.5011 -9.5011 -9.2739 -9.2739 -9.2531 -9.2531 -9.1985 -9.1985 -9.1853 -9.1853 -5.0253 -5.0253 -4.1304 -4.1304 -3.5819 -3.5819 -2.7835 -2.7835 1.3103 1.3103 1.5927 1.5927 1.8469 1.8469 2.8075 2.8075 3.1231 3.1231 4.3193 4.3193 4.3962 4.3962 6.2651 6.2651 6.3768 6.3768 6.6003 6.6003 7.7486 7.7486 k = 0.7205-0.5814-0.0459 ( 6254 PWs) bands (ev): -25.7827 -25.7827 -25.7784 -25.7784 -9.5108 -9.5108 -9.5016 -9.5016 -9.2747 -9.2747 -9.2534 -9.2534 -9.1988 -9.1988 -9.1848 -9.1848 -4.9912 -4.9912 -4.0481 -4.0481 -3.6407 -3.6407 -2.8547 -2.8547 1.3324 1.3324 1.5476 1.5476 1.8565 1.8565 2.8279 2.8279 3.0990 3.0990 4.3238 4.3238 4.3707 4.3707 6.2459 6.2459 6.3930 6.3930 6.5490 6.5490 7.7808 7.7808 k = 0.7271-0.6036-0.0459 ( 6260 PWs) bands (ev): -25.7827 -25.7827 -25.7782 -25.7782 -9.5115 -9.5115 -9.5020 -9.5020 -9.2755 -9.2755 -9.2535 -9.2535 -9.1992 -9.1992 -9.1844 -9.1844 -4.9640 -4.9640 -3.9652 -3.9652 -3.6913 -3.6913 -2.9260 -2.9260 1.3557 1.3557 1.4932 1.4932 1.8836 1.8836 2.8457 2.8457 3.0757 3.0757 4.3159 4.3159 4.3538 4.3538 6.2324 6.2324 6.4110 6.4110 6.5041 6.5041 7.8169 7.8169 k = 0.2729-0.9060 0.0000 ( 6260 PWs) bands (ev): -25.7827 -25.7827 -25.7782 -25.7782 -9.5115 -9.5115 -9.5020 -9.5020 -9.2755 -9.2755 -9.2535 -9.2535 -9.1992 -9.1992 -9.1844 -9.1844 -4.9640 -4.9640 -3.9652 -3.9652 -3.6913 -3.6913 -2.9260 -2.9260 1.3557 1.3557 1.4932 1.4932 1.8836 1.8836 2.8457 2.8457 3.0757 3.0757 4.3159 4.3159 4.3538 4.3538 6.2324 6.2324 6.4110 6.4110 6.5041 6.5041 7.8169 7.8169 k = 0.2662-0.8839 0.0000 ( 6258 PWs) bands (ev): -25.7827 -25.7827 -25.7781 -25.7781 -9.5122 -9.5122 -9.5022 -9.5022 -9.2761 -9.2761 -9.2534 -9.2534 -9.1996 -9.1996 -9.1839 -9.1839 -4.9452 -4.9452 -3.8829 -3.8829 -3.7322 -3.7322 -2.9960 -2.9960 1.3660 1.3660 1.4522 1.4522 1.9185 1.9185 2.8604 2.8604 3.0546 3.0546 4.2979 4.2979 4.3437 4.3437 6.2254 6.2254 6.4020 6.4020 6.4942 6.4942 7.8557 7.8557 k = 0.2595-0.8618 0.0000 ( 6262 PWs) bands (ev): -25.7828 -25.7828 -25.7780 -25.7780 -9.5127 -9.5127 -9.5022 -9.5022 -9.2766 -9.2766 -9.2533 -9.2533 -9.2000 -9.2000 -9.1835 -9.1835 -4.9362 -4.9362 -3.8025 -3.8025 -3.7619 -3.7619 -3.0632 -3.0632 1.3333 1.3333 1.4578 1.4578 1.9563 1.9563 2.8718 2.8718 3.0373 3.0373 4.2774 4.2774 4.3333 4.3333 6.2237 6.2237 6.3615 6.3615 6.5253 6.5253 7.8705 7.8705 k = 0.2529-0.8397 0.0000 ( 6270 PWs) bands (ev): -25.7828 -25.7828 -25.7779 -25.7779 -9.5132 -9.5132 -9.5020 -9.5020 -9.2770 -9.2770 -9.2529 -9.2529 -9.2005 -9.2005 -9.1831 -9.1831 -4.9378 -4.9378 -3.7800 -3.7800 -3.7265 -3.7265 -3.1243 -3.1243 1.2800 1.2800 1.4891 1.4891 1.9940 1.9940 2.8796 2.8796 3.0255 3.0255 4.2571 4.2571 4.3203 4.3203 6.2206 6.2206 6.3227 6.3227 6.5705 6.5705 7.8308 7.8308 k = 0.2462-0.8176 0.0000 ( 6278 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5135 -9.5135 -9.5017 -9.5017 -9.2773 -9.2773 -9.2525 -9.2525 -9.2010 -9.2010 -9.1827 -9.1827 -4.9504 -4.9504 -3.7856 -3.7856 -3.6614 -3.6614 -3.1733 -3.1733 1.2254 1.2254 1.5268 1.5268 2.0295 2.0295 2.8841 2.8841 3.0209 3.0209 4.2368 4.2368 4.3055 4.3055 6.2007 6.2007 6.3083 6.3083 6.6222 6.6222 7.7851 7.7851 k = 0.2396-0.7955 0.0000 ( 6276 PWs) bands (ev): -25.7830 -25.7830 -25.7778 -25.7778 -9.5137 -9.5137 -9.5011 -9.5011 -9.2774 -9.2774 -9.2519 -9.2519 -9.2015 -9.2015 -9.1824 -9.1824 -4.9736 -4.9736 -3.7796 -3.7796 -3.6176 -3.6176 -3.1994 -3.1994 1.1737 1.1737 1.5665 1.5665 2.0610 2.0610 2.8863 2.8863 3.0244 3.0244 4.2150 4.2150 4.2909 4.2909 6.1621 6.1621 6.3217 6.3217 6.6776 6.6776 7.7392 7.7392 k = 0.2329-0.7734 0.0000 ( 6268 PWs) bands (ev): -25.7831 -25.7831 -25.7778 -25.7778 -9.5137 -9.5137 -9.5004 -9.5004 -9.2774 -9.2774 -9.2511 -9.2511 -9.2021 -9.2021 -9.1821 -9.1821 -5.0062 -5.0062 -3.7633 -3.7633 -3.6073 -3.6073 -3.1901 -3.1901 1.1263 1.1263 1.6062 1.6062 2.0872 2.0872 2.8881 2.8881 3.0361 3.0361 4.1904 4.1904 4.2784 4.2784 6.1182 6.1182 6.3499 6.3499 6.7349 6.7349 7.6956 7.6956 k = 0.2263-0.7513 0.0000 ( 6272 PWs) bands (ev): -25.7832 -25.7832 -25.7778 -25.7778 -9.5137 -9.5137 -9.4994 -9.4994 -9.2773 -9.2773 -9.2502 -9.2502 -9.2026 -9.2026 -9.1819 -9.1819 -5.0468 -5.0468 -3.7384 -3.7384 -3.6310 -3.6310 -3.1446 -3.1446 1.0840 1.0840 1.6445 1.6445 2.1068 2.1068 2.8919 2.8919 3.0559 3.0559 4.1622 4.1622 4.2692 4.2692 6.0756 6.0756 6.3862 6.3862 6.7918 6.7918 7.6567 7.6567 k = 0.2196-0.7292 0.0000 ( 6268 PWs) bands (ev): -25.7834 -25.7834 -25.7778 -25.7778 -9.5136 -9.5136 -9.4983 -9.4983 -9.2771 -9.2771 -9.2492 -9.2492 -9.2032 -9.2032 -9.1818 -9.1818 -5.0936 -5.0936 -3.7081 -3.7081 -3.6756 -3.6756 -3.0748 -3.0748 1.0473 1.0473 1.6804 1.6804 2.1192 2.1192 2.8995 2.8995 3.0831 3.0831 4.1312 4.1312 4.2632 4.2632 6.0367 6.0367 6.4276 6.4276 6.8457 6.8457 7.6255 7.6255 k = 0.2130-0.7071 0.0000 ( 6264 PWs) bands (ev): -25.7835 -25.7835 -25.7778 -25.7778 -9.5134 -9.5134 -9.4971 -9.4971 -9.2767 -9.2767 -9.2481 -9.2481 -9.2038 -9.2038 -9.1816 -9.1816 -5.1453 -5.1453 -3.7374 -3.7374 -3.6669 -3.6669 -2.9915 -2.9915 1.0166 1.0166 1.7129 1.7129 2.1243 2.1243 2.9121 2.9121 3.1174 3.1174 4.0986 4.0986 4.2597 4.2597 6.0029 6.0029 6.4719 6.4719 6.8934 6.8934 7.6059 7.6059 k = 0.2063-0.6850 0.0000 ( 6260 PWs) bands (ev): -25.7837 -25.7837 -25.7778 -25.7778 -9.5130 -9.5130 -9.4956 -9.4956 -9.2762 -9.2762 -9.2468 -9.2468 -9.2044 -9.2044 -9.1816 -9.1816 -5.2005 -5.2005 -3.8002 -3.8002 -3.6264 -3.6264 -2.9008 -2.9008 0.9922 0.9922 1.7413 1.7413 2.1223 2.1223 2.9305 2.9305 3.1576 3.1576 4.0658 4.0658 4.2582 4.2582 5.9751 5.9751 6.5169 6.5169 6.9319 6.9319 7.6020 7.6020 k = 0.1996-0.6629 0.0000 ( 6260 PWs) bands (ev): -25.7839 -25.7839 -25.7779 -25.7779 -9.5126 -9.5126 -9.4941 -9.4941 -9.2755 -9.2755 -9.2453 -9.2453 -9.2050 -9.2050 -9.1816 -9.1816 -5.2580 -5.2580 -3.8659 -3.8659 -3.5829 -3.5829 -2.8058 -2.8058 0.9746 0.9746 1.7653 1.7653 2.1139 2.1139 2.9548 2.9548 3.2027 3.2027 4.0343 4.0343 4.2581 4.2581 5.9539 5.9539 6.5602 6.5602 6.9593 6.9593 7.6170 7.6170 k = 0.1930-0.6408 0.0000 ( 6260 PWs) bands (ev): -25.7841 -25.7841 -25.7779 -25.7779 -9.5122 -9.5122 -9.4923 -9.4923 -9.2748 -9.2748 -9.2438 -9.2438 -9.2056 -9.2056 -9.1816 -9.1816 -5.3169 -5.3169 -3.9325 -3.9325 -3.5381 -3.5381 -2.7082 -2.7082 0.9640 0.9640 1.7848 1.7848 2.0998 2.0998 2.9843 2.9843 3.2511 3.2511 4.0056 4.0056 4.2595 4.2595 5.9396 5.9396 6.5982 6.5982 6.9773 6.9773 7.6514 7.6514 k = 0.1863-0.6187 0.0000 ( 6260 PWs) bands (ev): -25.7844 -25.7844 -25.7780 -25.7780 -9.5117 -9.5117 -9.4905 -9.4905 -9.2739 -9.2739 -9.2421 -9.2421 -9.2062 -9.2062 -9.1817 -9.1817 -5.3764 -5.3764 -3.9990 -3.9990 -3.4930 -3.4930 -2.6091 -2.6091 0.9605 0.9605 1.8004 1.8004 2.0809 2.0809 3.0180 3.0180 3.3011 3.3011 3.9814 3.9814 4.2625 4.2625 5.9326 5.9326 6.6267 6.6267 6.9909 6.9909 7.7034 7.7034 k = 0.1797-0.5966 0.0000 ( 6260 PWs) bands (ev): -25.7846 -25.7846 -25.7781 -25.7781 -9.5111 -9.5111 -9.4886 -9.4886 -9.2730 -9.2730 -9.2402 -9.2402 -9.2067 -9.2067 -9.1818 -9.1818 -5.4361 -5.4361 -4.0647 -4.0647 -3.4482 -3.4482 -2.5093 -2.5093 0.9646 0.9646 1.8127 1.8127 2.0582 2.0582 3.0537 3.0537 3.3508 3.3508 3.9636 3.9636 4.2679 4.2679 5.9329 5.9329 6.6415 6.6415 7.0069 7.0069 7.7691 7.7691 k = 0.1730-0.5745 0.0000 ( 6256 PWs) bands (ev): -25.7849 -25.7849 -25.7782 -25.7782 -9.5106 -9.5106 -9.4866 -9.4866 -9.2719 -9.2719 -9.2383 -9.2383 -9.2072 -9.2072 -9.1819 -9.1819 -5.4954 -5.4954 -4.1292 -4.1292 -3.4045 -3.4045 -2.4094 -2.4094 0.9762 0.9762 1.8225 1.8225 2.0326 2.0326 3.0889 3.0889 3.3985 3.3985 3.9543 3.9543 4.2766 4.2766 5.9405 5.9405 6.6406 6.6406 7.0295 7.0295 7.8447 7.8447 k = 0.1664-0.5524 0.0000 ( 6248 PWs) bands (ev): -25.7851 -25.7851 -25.7784 -25.7784 -9.5100 -9.5100 -9.4846 -9.4846 -9.2708 -9.2708 -9.2362 -9.2362 -9.2076 -9.2076 -9.1821 -9.1821 -5.5540 -5.5540 -4.1922 -4.1922 -3.3623 -3.3623 -2.3099 -2.3099 0.9955 0.9955 1.8308 1.8308 2.0050 2.0050 3.1206 3.1206 3.4422 3.4422 3.9558 3.9558 4.2896 4.2896 5.9553 5.9553 6.6255 6.6255 7.0590 7.0590 7.9269 7.9269 k = 0.1597-0.5303 0.0000 ( 6250 PWs) bands (ev): -25.7854 -25.7854 -25.7785 -25.7785 -9.5094 -9.5094 -9.4825 -9.4825 -9.2696 -9.2696 -9.2340 -9.2340 -9.2079 -9.2079 -9.1824 -9.1824 -5.6115 -5.6115 -4.2536 -4.2536 -3.3222 -3.3222 -2.2113 -2.2113 1.0226 1.0226 1.8381 1.8381 1.9765 1.9765 3.1461 3.1461 3.4804 3.4804 3.9700 3.9700 4.3080 4.3080 5.9771 5.9771 6.5999 6.5999 7.0926 7.0926 8.0128 8.0128 k = 0.1531-0.5082 0.0000 ( 6248 PWs) bands (ev): -25.7857 -25.7857 -25.7787 -25.7787 -9.5088 -9.5088 -9.4803 -9.4803 -9.2684 -9.2684 -9.2317 -9.2317 -9.2082 -9.2082 -9.1826 -9.1826 -5.6677 -5.6677 -4.3131 -4.3131 -3.2844 -3.2844 -2.1140 -2.1140 1.0573 1.0573 1.8445 1.8445 1.9486 1.9486 3.1634 3.1634 3.5114 3.5114 3.9985 3.9985 4.3327 4.3327 6.0057 6.0057 6.5678 6.5678 7.1266 7.1266 8.0998 8.0998 k = 0.1464-0.4861 0.0000 ( 6250 PWs) bands (ev): -25.7859 -25.7859 -25.7788 -25.7788 -9.5082 -9.5082 -9.4782 -9.4782 -9.2672 -9.2672 -9.2292 -9.2292 -9.2083 -9.2083 -9.1829 -9.1829 -5.7223 -5.7223 -4.3706 -4.3706 -3.2491 -3.2491 -2.0185 -2.0185 1.0997 1.0997 1.8483 1.8483 1.9246 1.9246 3.1720 3.1720 3.5340 3.5340 4.0415 4.0415 4.3637 4.3637 6.0406 6.0406 6.5322 6.5322 7.1575 7.1575 8.1842 8.1842 k = 0.1398-0.4640 0.0000 ( 6252 PWs) bands (ev): -25.7862 -25.7862 -25.7790 -25.7790 -9.5076 -9.5076 -9.4761 -9.4761 -9.2659 -9.2659 -9.2267 -9.2267 -9.2083 -9.2083 -9.1832 -9.1832 -5.7753 -5.7753 -4.4260 -4.4260 -3.2166 -3.2166 -1.9252 -1.9252 1.1492 1.1492 1.8434 1.8434 1.9119 1.9119 3.1725 3.1725 3.5480 3.5480 4.0981 4.0981 4.4007 4.4007 6.0815 6.0815 6.4960 6.4960 7.1825 7.1825 8.2528 8.2528 k = 0.1331-0.4419 0.0000 ( 6246 PWs) bands (ev): -25.7865 -25.7865 -25.7792 -25.7792 -9.5071 -9.5071 -9.4741 -9.4741 -9.2647 -9.2647 -9.2241 -9.2241 -9.2082 -9.2082 -9.1836 -9.1836 -5.8264 -5.8264 -4.4793 -4.4793 -3.1868 -3.1868 -1.8346 -1.8346 1.2056 1.2056 1.8260 1.8260 1.9156 1.9156 3.1664 3.1664 3.5537 3.5537 4.1660 4.1660 4.4429 4.4429 6.1275 6.1275 6.4612 6.4612 7.1991 7.1991 8.2510 8.2510 k = 0.1264-0.4198 0.0000 ( 6248 PWs) bands (ev): -25.7868 -25.7868 -25.7793 -25.7793 -9.5066 -9.5066 -9.4720 -9.4720 -9.2635 -9.2635 -9.2215 -9.2215 -9.2080 -9.2080 -9.1839 -9.1839 -5.8756 -5.8756 -4.5302 -4.5302 -3.1598 -3.1598 -1.7471 -1.7471 1.2679 1.2679 1.8026 1.8026 1.9307 1.9307 3.1554 3.1554 3.5523 3.5523 4.2424 4.2424 4.4890 4.4890 6.1769 6.1769 6.4310 6.4310 7.2055 7.2055 8.1955 8.1955 k = 0.1198-0.3977 0.0000 ( 6240 PWs) bands (ev): -25.7871 -25.7871 -25.7795 -25.7795 -9.5061 -9.5061 -9.4701 -9.4701 -9.2624 -9.2624 -9.2187 -9.2187 -9.2076 -9.2076 -9.1843 -9.1843 -5.9226 -5.9226 -4.5789 -4.5789 -3.1357 -3.1357 -1.6632 -1.6632 1.3348 1.3348 1.7792 1.7792 1.9528 1.9528 3.1413 3.1413 3.5453 3.5453 4.3240 4.3240 4.5379 4.5379 6.2251 6.2251 6.4107 6.4107 7.2001 7.2001 8.1115 8.1115 k = 0.1131-0.3756 0.0000 ( 6232 PWs) bands (ev): -25.7873 -25.7873 -25.7797 -25.7797 -9.5057 -9.5057 -9.4682 -9.4682 -9.2613 -9.2613 -9.2160 -9.2160 -9.2070 -9.2070 -9.1846 -9.1846 -5.9676 -5.9676 -4.6252 -4.6252 -3.1142 -3.1142 -1.5831 -1.5831 1.4037 1.4037 1.7602 1.7602 1.9804 1.9804 3.1256 3.1256 3.5341 3.5341 4.4074 4.4074 4.5891 4.5891 6.2609 6.2609 6.4123 6.4123 7.1821 7.1821 8.0052 8.0052 k = 0.1065-0.3535 0.0000 ( 6224 PWs) bands (ev): -25.7876 -25.7876 -25.7799 -25.7799 -9.5053 -9.5053 -9.4664 -9.4664 -9.2604 -9.2604 -9.2132 -9.2132 -9.2063 -9.2063 -9.1850 -9.1850 -6.0102 -6.0102 -4.6690 -4.6690 -3.0953 -3.0953 -1.5073 -1.5073 1.4689 1.4689 1.7514 1.7514 2.0129 2.0129 3.1095 3.1095 3.5199 3.5199 4.4887 4.4887 4.6426 4.6426 6.2728 6.2728 6.4481 6.4481 7.1516 7.1516 7.8817 7.8817 k = 0.0998-0.3314 0.0000 ( 6222 PWs) bands (ev): -25.7878 -25.7878 -25.7800 -25.7800 -9.5050 -9.5050 -9.4647 -9.4647 -9.2596 -9.2596 -9.2105 -9.2105 -9.2054 -9.2054 -9.1853 -9.1853 -6.0506 -6.0506 -4.7103 -4.7103 -3.0788 -3.0788 -1.4360 -1.4360 1.5195 1.5195 1.7635 1.7635 2.0501 2.0501 3.0941 3.0941 3.5040 3.5040 4.5632 4.5632 4.6992 4.6992 6.2704 6.2704 6.5088 6.5088 7.1092 7.1092 7.7462 7.7462 k = 0.0932-0.3094 0.0000 ( 6232 PWs) bands (ev): -25.7881 -25.7881 -25.7802 -25.7802 -9.5047 -9.5047 -9.4631 -9.4631 -9.2589 -9.2589 -9.2079 -9.2079 -9.2043 -9.2043 -9.1856 -9.1856 -6.0886 -6.0886 -4.7491 -4.7491 -3.0645 -3.0645 -1.3696 -1.3696 1.5439 1.5439 1.8077 1.8077 2.0917 2.0917 3.0802 3.0802 3.4873 3.4873 4.6272 4.6272 4.7593 4.7593 6.2677 6.2677 6.5802 6.5802 7.0564 7.0564 7.6038 7.6038 k = 0.0865-0.2873 0.0000 ( 6234 PWs) bands (ev): -25.7883 -25.7883 -25.7804 -25.7804 -9.5044 -9.5044 -9.4616 -9.4616 -9.2583 -9.2583 -9.2055 -9.2055 -9.2030 -9.2030 -9.1859 -9.1859 -6.1242 -6.1242 -4.7854 -4.7854 -3.0523 -3.0523 -1.3081 -1.3081 1.5453 1.5453 1.8797 1.8797 2.1375 2.1375 3.0687 3.0687 3.4707 3.4707 4.6796 4.6796 4.8205 4.8205 6.2715 6.2715 6.6529 6.6529 6.9956 6.9956 7.4611 7.4611 k = 0.0799-0.2652 0.0000 ( 6232 PWs) bands (ev): -25.7886 -25.7886 -25.7806 -25.7806 -9.5042 -9.5042 -9.4602 -9.4602 -9.2578 -9.2578 -9.2035 -9.2035 -9.2013 -9.2013 -9.1862 -9.1862 -6.1573 -6.1573 -4.8191 -4.8191 -3.0419 -3.0419 -1.2517 -1.2517 1.5350 1.5350 1.9670 1.9670 2.1872 2.1872 3.0604 3.0604 3.4550 3.4550 4.7222 4.7222 4.8777 4.8777 6.2854 6.2854 6.7153 6.7153 6.9310 6.9310 7.3285 7.3285 k = 0.0732-0.2431 0.0000 ( 6233 PWs) bands (ev): -25.7888 -25.7888 -25.7807 -25.7807 -9.5040 -9.5040 -9.4589 -9.4589 -9.2574 -9.2574 -9.2019 -9.2019 -9.1993 -9.1993 -9.1863 -9.1863 -6.1878 -6.1878 -4.8501 -4.8501 -3.0332 -3.0332 -1.2004 -1.2004 1.5201 1.5201 2.0601 2.0601 2.2413 2.2413 3.0559 3.0559 3.4408 3.4408 4.7571 4.7571 4.9261 4.9261 6.3110 6.3110 6.7412 6.7412 6.8703 6.8703 7.2287 7.2287 k = 0.0665-0.2210 0.0000 ( 6241 PWs) bands (ev): -25.7890 -25.7890 -25.7809 -25.7809 -9.5039 -9.5039 -9.4577 -9.4577 -9.2571 -9.2571 -9.2005 -9.2005 -9.1973 -9.1973 -9.1864 -9.1864 -6.2159 -6.2159 -4.8786 -4.8786 -3.0260 -3.0260 -1.1542 -1.1542 1.5036 1.5036 2.1511 2.1511 2.3021 2.3021 3.0558 3.0558 3.4290 3.4290 4.7856 4.7856 4.9622 4.9622 6.3477 6.3477 6.7028 6.7028 6.8113 6.8113 7.1979 7.1979 k = 0.0599-0.1989 0.0000 ( 6235 PWs) bands (ev): -25.7892 -25.7892 -25.7810 -25.7810 -9.5038 -9.5038 -9.4567 -9.4567 -9.2568 -9.2568 -9.1992 -9.1992 -9.1955 -9.1955 -9.1863 -9.1863 -6.2413 -6.2413 -4.9043 -4.9043 -3.0200 -3.0200 -1.1131 -1.1131 1.4873 1.4873 2.2313 2.2313 2.3742 2.3742 3.0602 3.0602 3.4203 3.4203 4.8083 4.8083 4.9847 4.9847 6.3877 6.3877 6.6240 6.6240 6.7391 6.7391 7.2388 7.2388 k = 0.0532-0.1768 0.0000 ( 6237 PWs) bands (ev): -25.7894 -25.7894 -25.7811 -25.7811 -9.5037 -9.5037 -9.4557 -9.4557 -9.2567 -9.2567 -9.1979 -9.1979 -9.1939 -9.1939 -9.1861 -9.1861 -6.2642 -6.2642 -4.9275 -4.9275 -3.0152 -3.0152 -1.0769 -1.0769 1.4718 1.4718 2.2947 2.2947 2.4596 2.4596 3.0692 3.0692 3.4155 3.4155 4.8252 4.8252 4.9943 4.9943 6.3936 6.3936 6.5535 6.5535 6.6793 6.6793 7.3167 7.3167 k = 0.0466-0.1547 0.0000 ( 6243 PWs) bands (ev): -25.7896 -25.7896 -25.7812 -25.7812 -9.5036 -9.5036 -9.4549 -9.4549 -9.2566 -9.2566 -9.1967 -9.1967 -9.1928 -9.1928 -9.1856 -9.1856 -6.2844 -6.2844 -4.9479 -4.9479 -3.0113 -3.0113 -1.0455 -1.0455 1.4576 1.4576 2.3430 2.3430 2.5534 2.5534 3.0820 3.0820 3.4154 3.4154 4.8356 4.8356 4.9933 4.9933 6.3130 6.3130 6.5212 6.5212 6.6783 6.6783 7.4094 7.4094 k = 0.0399-0.1326 0.0000 ( 6253 PWs) bands (ev): -25.7897 -25.7897 -25.7814 -25.7814 -9.5036 -9.5036 -9.4542 -9.4542 -9.2565 -9.2565 -9.1957 -9.1957 -9.1920 -9.1920 -9.1849 -9.1849 -6.3020 -6.3020 -4.9656 -4.9656 -3.0082 -3.0082 -1.0188 -1.0188 1.4449 1.4449 2.3801 2.3801 2.6482 2.6482 3.0974 3.0974 3.4206 3.4206 4.8384 4.8384 4.9860 4.9860 6.1974 6.1974 6.4767 6.4767 6.7450 6.7450 7.5065 7.5065 k = 0.0333-0.1105 0.0000 ( 6261 PWs) bands (ev): -25.7898 -25.7898 -25.7815 -25.7815 -9.5035 -9.5035 -9.4536 -9.4536 -9.2565 -9.2565 -9.1948 -9.1948 -9.1916 -9.1916 -9.1840 -9.1840 -6.3168 -6.3168 -4.9806 -4.9806 -3.0058 -3.0058 -0.9965 -0.9965 1.4340 1.4340 2.4086 2.4086 2.7381 2.7381 3.1140 3.1140 3.4309 3.4309 4.8321 4.8321 4.9772 4.9772 6.0817 6.0817 6.4290 6.4290 6.8403 6.8403 7.6012 7.6012 k = 0.0266-0.0884 0.0000 ( 6261 PWs) bands (ev): -25.7899 -25.7899 -25.7815 -25.7815 -9.5035 -9.5035 -9.4531 -9.4531 -9.2565 -9.2565 -9.1940 -9.1940 -9.1914 -9.1914 -9.1832 -9.1832 -6.3290 -6.3290 -4.9929 -4.9929 -3.0040 -3.0040 -0.9785 -0.9785 1.4250 1.4250 2.4300 2.4300 2.8183 2.8183 3.1306 3.1306 3.4451 3.4451 4.8175 4.8175 4.9706 4.9706 5.9766 5.9766 6.3870 6.3870 6.9472 6.9472 7.6841 7.6841 k = 0.0200-0.0663 0.0000 ( 6261 PWs) bands (ev): -25.7900 -25.7900 -25.7816 -25.7816 -9.5035 -9.5035 -9.4528 -9.4528 -9.2565 -9.2565 -9.1933 -9.1933 -9.1912 -9.1912 -9.1825 -9.1825 -6.3385 -6.3385 -5.0025 -5.0025 -3.0027 -3.0027 -0.9647 -0.9647 1.4179 1.4179 2.4455 2.4455 2.8843 2.8843 3.1465 3.1465 3.4610 3.4610 4.7980 4.7980 4.9670 4.9670 5.8882 5.8882 6.3534 6.3534 7.0581 7.0581 7.7335 7.7335 k = 0.0133-0.0442 0.0000 ( 6259 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5035 -9.5035 -9.4525 -9.4525 -9.2564 -9.2564 -9.1928 -9.1928 -9.1912 -9.1912 -9.1819 -9.1819 -6.3453 -6.3453 -5.0093 -5.0093 -3.0018 -3.0018 -0.9550 -0.9550 1.4128 1.4128 2.4558 2.4558 2.9326 2.9326 3.1607 3.1607 3.4755 3.4755 4.7789 4.7789 4.9656 4.9656 5.8211 5.8211 6.3291 6.3291 7.1659 7.1659 7.7186 7.7186 k = 0.0067-0.0221 0.0000 ( 6257 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1925 -9.1925 -9.1912 -9.1912 -9.1816 -9.1816 -6.3494 -6.3494 -5.0134 -5.0134 -3.0013 -3.0013 -0.9491 -0.9491 1.4097 1.4097 2.4617 2.4617 2.9613 2.9613 3.1712 3.1712 3.4857 3.4857 4.7652 4.7652 4.9651 4.9651 5.7792 5.7792 6.3144 6.3144 7.2568 7.2568 7.6628 7.6628 k = 0.0000 0.0000 0.0000 ( 6255 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1925 -9.1925 -9.1912 -9.1912 -9.1815 -9.1815 -6.3508 -6.3508 -5.0148 -5.0148 -3.0011 -3.0011 -0.9472 -0.9472 1.4086 1.4086 2.4636 2.4636 2.9708 2.9708 3.1751 3.1751 3.4893 3.4893 4.7602 4.7602 4.9650 4.9650 5.7649 5.7649 6.3095 6.3095 7.2974 7.2974 7.6308 7.6308 k = 0.0000 0.0000 0.0000 ( 6255 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1925 -9.1925 -9.1912 -9.1912 -9.1815 -9.1815 -6.3508 -6.3508 -5.0148 -5.0148 -3.0011 -3.0011 -0.9472 -0.9472 1.4086 1.4086 2.4636 2.4636 2.9708 2.9708 3.1751 3.1751 3.4893 3.4893 4.7602 4.7602 4.9650 4.9650 5.7649 5.7649 6.3095 6.3095 7.2974 7.2974 7.6308 7.6308 k = 0.0128-0.0194-0.0006 ( 6257 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1926 -9.1926 -9.1911 -9.1911 -9.1816 -9.1816 -6.3494 -6.3494 -5.0137 -5.0137 -3.0011 -3.0011 -0.9493 -0.9493 1.4097 1.4097 2.4619 2.4619 2.9622 2.9622 3.1713 3.1713 3.4863 3.4863 4.7634 4.7634 4.9658 4.9658 5.7782 5.7782 6.3145 6.3145 7.2590 7.2590 7.6607 7.6607 k = 0.0256-0.0387-0.0012 ( 6263 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4525 -9.4525 -9.2564 -9.2564 -9.1929 -9.1929 -9.1911 -9.1911 -9.1819 -9.1819 -6.3454 -6.3454 -5.0105 -5.0105 -3.0008 -3.0008 -0.9554 -0.9554 1.4131 1.4131 2.4569 2.4569 2.9358 2.9358 3.1610 3.1610 3.4779 3.4779 4.7717 4.7717 4.9689 4.9689 5.8174 5.8174 6.3297 6.3297 7.1717 7.1717 7.7151 7.7151 k = 0.0385-0.0581-0.0018 ( 6258 PWs) bands (ev): -25.7900 -25.7900 -25.7816 -25.7816 -9.5034 -9.5034 -9.4528 -9.4528 -9.2564 -9.2564 -9.1935 -9.1935 -9.1911 -9.1911 -9.1823 -9.1823 -6.3387 -6.3387 -5.0051 -5.0051 -3.0004 -3.0004 -0.9658 -0.9658 1.4186 1.4186 2.4480 2.4480 2.8915 2.8915 3.1466 3.1466 3.4663 3.4663 4.7814 4.7814 4.9756 4.9756 5.8799 5.8799 6.3546 6.3546 7.0667 7.0667 7.7370 7.7370 k = 0.0513-0.0774-0.0024 ( 6261 PWs) bands (ev): -25.7900 -25.7900 -25.7815 -25.7815 -9.5034 -9.5034 -9.4532 -9.4532 -9.2564 -9.2564 -9.1942 -9.1942 -9.1912 -9.1912 -9.1830 -9.1830 -6.3294 -6.3294 -4.9976 -4.9976 -2.9999 -2.9999 -0.9803 -0.9803 1.4262 1.4262 2.4348 2.4348 2.8306 2.8306 3.1297 3.1297 3.4543 3.4543 4.7880 4.7880 4.9876 4.9876 5.9624 5.9624 6.3890 6.3890 6.9569 6.9569 7.7001 7.7001 k = 0.0641-0.0968-0.0029 ( 6261 PWs) bands (ev): -25.7899 -25.7899 -25.7815 -25.7815 -9.5034 -9.5034 -9.4537 -9.4537 -9.2564 -9.2564 -9.1950 -9.1950 -9.1915 -9.1915 -9.1837 -9.1837 -6.3173 -6.3173 -4.9879 -4.9879 -2.9994 -2.9994 -0.9992 -0.9992 1.4360 1.4360 2.4166 2.4166 2.7560 2.7560 3.1110 3.1110 3.4448 3.4448 4.7876 4.7876 5.0050 5.0050 6.0602 6.0602 6.4319 6.4319 6.8491 6.8491 7.6294 7.6294 k = 0.0769-0.1161-0.0035 ( 6255 PWs) bands (ev): -25.7897 -25.7897 -25.7814 -25.7814 -9.5034 -9.5034 -9.4543 -9.4543 -9.2563 -9.2563 -9.1960 -9.1960 -9.1919 -9.1919 -9.1844 -9.1844 -6.3027 -6.3027 -4.9761 -4.9761 -2.9989 -2.9989 -1.0224 -1.0224 1.4477 1.4477 2.3921 2.3921 2.6718 2.6718 3.0910 3.0910 3.4400 3.4400 4.7790 4.7790 5.0255 5.0255 6.1676 6.1676 6.4813 6.4813 6.7499 6.7499 7.5475 7.5475 k = 0.0897-0.1355-0.0041 ( 6256 PWs) bands (ev): -25.7896 -25.7896 -25.7813 -25.7813 -9.5034 -9.5034 -9.4550 -9.4550 -9.2564 -9.2564 -9.1971 -9.1971 -9.1926 -9.1926 -9.1851 -9.1851 -6.2854 -6.2854 -4.9622 -4.9622 -2.9986 -2.9986 -1.0500 -1.0500 1.4613 1.4613 2.3600 2.3600 2.5825 2.5825 3.0709 3.0709 3.4409 3.4409 4.7627 4.7627 5.0448 5.0448 6.2754 6.2754 6.5280 6.5280 6.6750 6.6750 7.4644 7.4644 k = 0.1026-0.1548-0.0047 ( 6255 PWs) bands (ev): -25.7894 -25.7894 -25.7812 -25.7812 -9.5034 -9.5034 -9.4558 -9.4558 -9.2564 -9.2564 -9.1984 -9.1984 -9.1935 -9.1935 -9.1856 -9.1856 -6.2655 -6.2655 -4.9461 -4.9461 -2.9986 -2.9986 -1.0822 -1.0822 1.4767 1.4767 2.3177 2.3177 2.4933 2.4933 3.0525 3.0525 3.4473 3.4473 4.7397 4.7397 5.0587 5.0587 6.3601 6.3601 6.5432 6.5432 6.6722 6.6722 7.3868 7.3868 k = 0.1154-0.1742-0.0053 ( 6250 PWs) bands (ev): -25.7892 -25.7892 -25.7811 -25.7811 -9.5034 -9.5034 -9.4568 -9.4568 -9.2565 -9.2565 -9.1998 -9.1998 -9.1948 -9.1948 -9.1859 -9.1859 -6.2430 -6.2430 -4.9279 -4.9279 -2.9989 -2.9989 -1.1190 -1.1190 1.4935 1.4935 2.2615 2.2615 2.4108 2.4108 3.0372 3.0372 3.4586 3.4586 4.7107 4.7107 5.0635 5.0635 6.3701 6.3701 6.5781 6.5781 6.7347 6.7347 7.3227 7.3227 k = 0.1282-0.1935-0.0059 ( 6245 PWs) bands (ev): -25.7890 -25.7890 -25.7810 -25.7810 -9.5035 -9.5035 -9.4578 -9.4578 -9.2566 -9.2566 -9.2013 -9.2013 -9.1962 -9.1962 -9.1860 -9.1860 -6.2180 -6.2180 -4.9077 -4.9077 -2.9999 -2.9999 -1.1604 -1.1604 1.5115 1.5115 2.1888 2.1888 2.3405 2.3405 3.0262 3.0262 3.4738 3.4738 4.6757 4.6757 5.0569 5.0569 6.3273 6.3273 6.6510 6.6510 6.8077 6.8077 7.2860 7.2860 k = 0.1410-0.2129-0.0065 ( 6240 PWs) bands (ev): -25.7888 -25.7888 -25.7809 -25.7809 -9.5035 -9.5035 -9.4590 -9.4590 -9.2568 -9.2568 -9.2031 -9.2031 -9.1977 -9.1977 -9.1861 -9.1861 -6.1904 -6.1904 -4.8853 -4.8853 -3.0016 -3.0016 -1.2064 -1.2064 1.5301 1.5301 2.1034 2.1034 2.2815 2.2815 3.0199 3.0199 3.4918 3.4918 4.6349 4.6349 5.0378 5.0378 6.2802 6.2802 6.7203 6.7203 6.8614 6.8614 7.2976 7.2976 k = 0.1538-0.2322-0.0071 ( 6241 PWs) bands (ev): -25.7886 -25.7886 -25.7808 -25.7808 -9.5036 -9.5036 -9.4603 -9.4603 -9.2570 -9.2570 -9.2050 -9.2050 -9.1991 -9.1991 -9.1860 -9.1860 -6.1603 -6.1603 -4.8609 -4.8609 -3.0042 -3.0042 -1.2572 -1.2572 1.5483 1.5483 2.0131 2.0131 2.2296 2.2296 3.0183 3.0183 3.5115 3.5115 4.5881 4.5881 5.0067 5.0067 6.2408 6.2408 6.7655 6.7655 6.8917 6.8917 7.3666 7.3666 k = 0.1667-0.2516-0.0076 ( 6238 PWs) bands (ev): -25.7883 -25.7883 -25.7806 -25.7806 -9.5037 -9.5037 -9.4617 -9.4617 -9.2574 -9.2574 -9.2071 -9.2071 -9.2005 -9.2005 -9.1859 -9.1859 -6.1278 -6.1278 -4.8344 -4.8344 -3.0080 -3.0080 -1.3124 -1.3124 1.5644 1.5644 1.9242 1.9242 2.1824 2.1824 3.0210 3.0210 3.5321 3.5321 4.5350 4.5350 4.9655 4.9655 6.2108 6.2108 6.7687 6.7687 6.9288 6.9288 7.4742 7.4742 k = 0.1795-0.2710-0.0082 ( 6233 PWs) bands (ev): -25.7881 -25.7881 -25.7805 -25.7805 -9.5039 -9.5039 -9.4632 -9.4632 -9.2579 -9.2579 -9.2094 -9.2094 -9.2017 -9.2017 -9.1858 -9.1858 -6.0929 -6.0929 -4.8059 -4.8059 -3.0131 -3.0131 -1.3722 -1.3722 1.5744 1.5744 1.8432 1.8432 2.1393 2.1393 3.0274 3.0274 3.5523 3.5523 4.4760 4.4760 4.9168 4.9168 6.1885 6.1885 6.7441 6.7441 6.9765 6.9765 7.5977 7.5977 k = 0.1923-0.2903-0.0088 ( 6236 PWs) bands (ev): -25.7878 -25.7878 -25.7803 -25.7803 -9.5041 -9.5041 -9.4648 -9.4648 -9.2584 -9.2584 -9.2119 -9.2119 -9.2028 -9.2028 -9.1856 -9.1856 -6.0556 -6.0556 -4.7754 -4.7754 -3.0199 -3.0199 -1.4362 -1.4362 1.5694 1.5694 1.7798 1.7798 2.1011 2.1011 3.0368 3.0368 3.5708 3.5708 4.4118 4.4118 4.8637 4.8637 6.1717 6.1717 6.7132 6.7132 7.0232 7.0232 7.7230 7.7230 k = 0.2051-0.3097-0.0094 ( 6234 PWs) bands (ev): -25.7876 -25.7876 -25.7802 -25.7802 -9.5043 -9.5043 -9.4665 -9.4665 -9.2591 -9.2591 -9.2145 -9.2145 -9.2037 -9.2037 -9.1854 -9.1854 -6.0160 -6.0160 -4.7429 -4.7429 -3.0286 -3.0286 -1.5042 -1.5042 1.5379 1.5379 1.7461 1.7461 2.0686 2.0686 3.0482 3.0482 3.5860 3.5860 4.3442 4.3442 4.8085 4.8085 6.1579 6.1579 6.6854 6.6854 7.0631 7.0631 7.8416 7.8416 k = 0.2179-0.3290-0.0100 ( 6236 PWs) bands (ev): -25.7873 -25.7873 -25.7800 -25.7800 -9.5046 -9.5046 -9.4683 -9.4683 -9.2599 -9.2599 -9.2171 -9.2171 -9.2045 -9.2045 -9.1852 -9.1852 -5.9742 -5.9742 -4.7084 -4.7084 -3.0394 -3.0394 -1.5759 -1.5759 1.4827 1.4827 1.7388 1.7388 2.0432 2.0432 3.0609 3.0609 3.5959 3.5959 4.2760 4.2760 4.7530 4.7530 6.1453 6.1453 6.6647 6.6647 7.0941 7.0941 7.9474 7.9474 k = 0.2308-0.3484-0.0106 ( 6248 PWs) bands (ev): -25.7870 -25.7870 -25.7799 -25.7799 -9.5049 -9.5049 -9.4701 -9.4701 -9.2607 -9.2607 -9.2198 -9.2198 -9.2051 -9.2051 -9.1850 -9.1850 -5.9302 -5.9302 -4.6720 -4.6720 -3.0525 -3.0525 -1.6510 -1.6510 1.4179 1.4179 1.7431 1.7431 2.0262 2.0262 3.0735 3.0735 3.5979 3.5979 4.2111 4.2111 4.6984 4.6984 6.1327 6.1327 6.6522 6.6522 7.1148 7.1148 8.0353 8.0353 k = 0.2436-0.3677-0.0112 ( 6255 PWs) bands (ev): -25.7867 -25.7867 -25.7797 -25.7797 -9.5052 -9.5052 -9.4720 -9.4720 -9.2617 -9.2617 -9.2225 -9.2225 -9.2055 -9.2055 -9.1848 -9.1848 -5.8841 -5.8841 -4.6337 -4.6337 -3.0683 -3.0683 -1.7292 -1.7292 1.3524 1.3524 1.7494 1.7494 2.0188 2.0188 3.0846 3.0846 3.5892 3.5892 4.1542 4.1542 4.6454 4.6454 6.1202 6.1202 6.6475 6.6475 7.1251 7.1251 8.0972 8.0972 k = 0.2564-0.3871-0.0118 ( 6255 PWs) bands (ev): -25.7865 -25.7865 -25.7796 -25.7796 -9.5056 -9.5056 -9.4740 -9.4740 -9.2627 -9.2627 -9.2251 -9.2251 -9.2057 -9.2057 -9.1846 -9.1846 -5.8360 -5.8360 -4.5936 -4.5936 -3.0868 -3.0868 -1.8098 -1.8098 1.2902 1.2902 1.7536 1.7536 2.0214 2.0214 3.0922 3.0922 3.5682 3.5682 4.1094 4.1094 4.5946 4.5946 6.1079 6.1079 6.6497 6.6497 7.1250 7.1250 8.0978 8.0978 k = 0.2692-0.4064-0.0123 ( 6257 PWs) bands (ev): -25.7862 -25.7862 -25.7794 -25.7794 -9.5060 -9.5060 -9.4761 -9.4761 -9.2638 -9.2638 -9.2277 -9.2277 -9.2058 -9.2058 -9.1844 -9.1844 -5.7860 -5.7860 -4.5517 -4.5517 -3.1084 -3.1084 -1.8926 -1.8926 1.2330 1.2330 1.7548 1.7548 2.0333 2.0333 3.0935 3.0935 3.5359 3.5359 4.0788 4.0788 4.5463 4.5463 6.0967 6.0967 6.6569 6.6569 7.1153 7.1153 8.0307 8.0307 k = 0.2821-0.4258-0.0129 ( 6263 PWs) bands (ev): -25.7859 -25.7859 -25.7793 -25.7793 -9.5065 -9.5065 -9.4781 -9.4781 -9.2649 -9.2649 -9.2303 -9.2303 -9.2058 -9.2058 -9.1842 -9.1842 -5.7342 -5.7342 -4.5081 -4.5081 -3.1332 -3.1332 -1.9771 -1.9771 1.1818 1.1818 1.7534 1.7534 2.0526 2.0526 3.0848 3.0848 3.4972 3.4972 4.0616 4.0616 4.5013 4.5013 6.0870 6.0870 6.6675 6.6675 7.0974 7.0974 7.9459 7.9459 k = 0.2949-0.4451-0.0135 ( 6268 PWs) bands (ev): -25.7856 -25.7856 -25.7791 -25.7791 -9.5070 -9.5070 -9.4802 -9.4802 -9.2661 -9.2661 -9.2327 -9.2327 -9.2056 -9.2056 -9.1840 -9.1840 -5.6808 -5.6808 -4.4627 -4.4627 -3.1613 -3.1613 -2.0627 -2.0627 1.1372 1.1372 1.7507 1.7507 2.0771 2.0771 3.0621 3.0621 3.4590 3.4590 4.0551 4.0551 4.4600 4.4600 6.0794 6.0794 6.6794 6.6794 7.0734 7.0734 7.8571 7.8571 k = 0.3077-0.4645-0.0141 ( 6269 PWs) bands (ev): -25.7853 -25.7853 -25.7790 -25.7790 -9.5075 -9.5075 -9.4823 -9.4823 -9.2672 -9.2672 -9.2351 -9.2351 -9.2054 -9.2054 -9.1839 -9.1839 -5.6259 -5.6259 -4.4158 -4.4158 -3.1927 -3.1927 -2.1491 -2.1491 1.0995 1.0995 1.7476 1.7476 2.1052 2.1052 3.0228 3.0228 3.4273 3.4273 4.0561 4.0561 4.4229 4.4229 6.0742 6.0742 6.6900 6.6900 7.0462 7.0462 7.7677 7.7677 k = 0.3205-0.4838-0.0147 ( 6271 PWs) bands (ev): -25.7851 -25.7851 -25.7789 -25.7789 -9.5080 -9.5080 -9.4844 -9.4844 -9.2683 -9.2683 -9.2374 -9.2374 -9.2051 -9.2051 -9.1837 -9.1837 -5.5698 -5.5698 -4.3674 -4.3674 -3.2274 -3.2274 -2.2357 -2.2357 1.0690 1.0690 1.7444 1.7444 2.1351 2.1351 2.9680 2.9680 3.4039 3.4039 4.0623 4.0623 4.3906 4.3906 6.0714 6.0714 6.6961 6.6961 7.0198 7.0198 7.6798 7.6798 k = 0.3333-0.5032-0.0153 ( 6275 PWs) bands (ev): -25.7848 -25.7848 -25.7787 -25.7787 -9.5086 -9.5086 -9.4864 -9.4864 -9.2694 -9.2694 -9.2395 -9.2395 -9.2047 -9.2047 -9.1836 -9.1836 -5.5126 -5.5126 -4.3175 -4.3175 -3.2653 -3.2653 -2.3221 -2.3221 1.0457 1.0457 1.7413 1.7413 2.1657 2.1657 2.9019 2.9019 3.3870 3.3870 4.0721 4.0721 4.3631 4.3631 6.0709 6.0709 6.6935 6.6935 6.9986 6.9986 7.5951 7.5951 k = 0.3462-0.5225-0.0159 ( 6271 PWs) bands (ev): -25.7845 -25.7845 -25.7786 -25.7786 -9.5091 -9.5091 -9.4884 -9.4884 -9.2704 -9.2704 -9.2415 -9.2415 -9.2042 -9.2042 -9.1835 -9.1835 -5.4547 -5.4547 -4.2664 -4.2664 -3.3060 -3.3060 -2.4079 -2.4079 1.0298 1.0298 1.7378 1.7378 2.1959 2.1959 2.8296 2.8296 3.3734 3.3734 4.0846 4.0846 4.3407 4.3407 6.0726 6.0726 6.6791 6.6791 6.9862 6.9862 7.5156 7.5156 k = 0.3590-0.5419-0.0165 ( 6266 PWs) bands (ev): -25.7843 -25.7843 -25.7785 -25.7785 -9.5097 -9.5097 -9.4903 -9.4903 -9.2714 -9.2714 -9.2434 -9.2434 -9.2037 -9.2037 -9.1834 -9.1834 -5.3963 -5.3963 -4.2143 -4.2143 -3.3493 -3.3493 -2.4927 -2.4927 1.0210 1.0210 1.7334 1.7334 2.2248 2.2248 2.7556 2.7556 3.3607 3.3607 4.0991 4.0991 4.3230 4.3230 6.0763 6.0763 6.6524 6.6524 6.9822 6.9822 7.4440 7.4440 k = 0.3718-0.5613-0.0171 ( 6269 PWs) bands (ev): -25.7840 -25.7840 -25.7784 -25.7784 -9.5102 -9.5102 -9.4921 -9.4921 -9.2723 -9.2723 -9.2451 -9.2451 -9.2032 -9.2032 -9.1834 -9.1834 -5.3379 -5.3379 -4.1613 -4.1613 -3.3945 -3.3945 -2.5760 -2.5760 1.0192 1.0192 1.7272 1.7272 2.2516 2.2516 2.6836 2.6836 3.3477 3.3477 4.1148 4.1148 4.3100 4.3100 6.0815 6.0815 6.6163 6.6163 6.9815 6.9815 7.3846 7.3846 k = 0.3846-0.5806-0.0176 ( 6271 PWs) bands (ev): -25.7838 -25.7838 -25.7783 -25.7783 -9.5107 -9.5107 -9.4939 -9.4939 -9.2731 -9.2731 -9.2467 -9.2467 -9.2027 -9.2027 -9.1833 -9.1833 -5.2801 -5.2801 -4.1079 -4.1079 -3.4410 -3.4410 -2.6575 -2.6575 1.0242 1.0242 1.7179 1.7179 2.2754 2.2754 2.6164 2.6164 3.3340 3.3340 4.1307 4.1307 4.3017 4.3017 6.0878 6.0878 6.5752 6.5752 6.9760 6.9760 7.3430 7.3430 k = 0.3974-0.6000-0.0182 ( 6269 PWs) bands (ev): -25.7836 -25.7836 -25.7782 -25.7782 -9.5112 -9.5112 -9.4955 -9.4955 -9.2738 -9.2738 -9.2482 -9.2482 -9.2022 -9.2022 -9.1833 -9.1833 -5.2234 -5.2234 -4.0544 -4.0544 -3.4877 -3.4877 -2.7368 -2.7368 1.0355 1.0355 1.7045 1.7045 2.2957 2.2957 2.5567 2.5567 3.3198 3.3198 4.1453 4.1453 4.2983 4.2983 6.0946 6.0946 6.5331 6.5331 6.9582 6.9582 7.3245 7.3245 k = 0.4103-0.6193-0.0188 ( 6264 PWs) bands (ev): -25.7835 -25.7835 -25.7781 -25.7781 -9.5116 -9.5116 -9.4970 -9.4970 -9.2745 -9.2745 -9.2495 -9.2495 -9.2017 -9.2017 -9.1833 -9.1833 -5.1686 -5.1686 -4.0018 -4.0018 -3.5334 -3.5334 -2.8133 -2.8133 1.0528 1.0528 1.6857 1.6857 2.3118 2.3118 2.5062 2.5062 3.3057 3.3057 4.1571 4.1571 4.3003 4.3003 6.1010 6.1010 6.4934 6.4934 6.9264 6.9264 7.3292 7.3292 k = 0.4231-0.6387-0.0194 ( 6268 PWs) bands (ev): -25.7833 -25.7833 -25.7781 -25.7781 -9.5120 -9.5120 -9.4983 -9.4983 -9.2750 -9.2750 -9.2506 -9.2506 -9.2013 -9.2013 -9.1833 -9.1833 -5.1166 -5.1166 -3.9510 -3.9510 -3.5762 -3.5762 -2.8865 -2.8865 1.0754 1.0754 1.6612 1.6612 2.3236 2.3236 2.4661 2.4661 3.2925 3.2925 4.1650 4.1650 4.3073 4.3073 6.1060 6.1060 6.4591 6.4591 6.8850 6.8850 7.3516 7.3516 k = 0.4359-0.6580-0.0200 ( 6277 PWs) bands (ev): -25.7832 -25.7832 -25.7780 -25.7780 -9.5123 -9.5123 -9.4995 -9.4995 -9.2755 -9.2755 -9.2515 -9.2515 -9.2009 -9.2009 -9.1833 -9.1833 -5.0687 -5.0687 -3.9043 -3.9043 -3.6137 -3.6137 -2.9554 -2.9554 1.1025 1.1025 1.6310 1.6310 2.3316 2.3316 2.4361 2.4361 3.2808 3.2808 4.1690 4.1690 4.3183 4.3183 6.1085 6.1085 6.4324 6.4324 6.8397 6.8397 7.3848 7.3848 k = 0.4487-0.6774-0.0206 ( 6280 PWs) bands (ev): -25.7831 -25.7831 -25.7780 -25.7780 -9.5126 -9.5126 -9.5004 -9.5004 -9.2759 -9.2759 -9.2523 -9.2523 -9.2005 -9.2005 -9.1833 -9.1833 -5.0263 -5.0263 -3.8652 -3.8652 -3.6419 -3.6419 -3.0186 -3.0186 1.1328 1.1328 1.5965 1.5965 2.3371 2.3371 2.4145 2.4145 3.2709 3.2709 4.1701 4.1701 4.3310 4.3310 6.1082 6.1082 6.4147 6.4147 6.7954 6.7954 7.4229 7.4229 k = 0.4615-0.6967-0.0212 ( 6271 PWs) bands (ev): -25.7830 -25.7830 -25.7779 -25.7779 -9.5128 -9.5128 -9.5012 -9.5012 -9.2762 -9.2762 -9.2529 -9.2529 -9.2003 -9.2003 -9.1833 -9.1833 -4.9908 -4.9908 -3.8384 -3.8384 -3.6565 -3.6565 -3.0742 -3.0742 1.1645 1.1645 1.5602 1.5602 2.3419 2.3419 2.3986 2.3986 3.2633 3.2633 4.1695 4.1695 4.3434 4.3434 6.1053 6.1053 6.4055 6.4055 6.7557 6.7557 7.4610 7.4610 k = 0.4744-0.7161-0.0218 ( 6263 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5129 -9.5129 -9.5017 -9.5017 -9.2764 -9.2764 -9.2534 -9.2534 -9.2000 -9.2000 -9.1833 -9.1833 -4.9639 -4.9639 -3.8266 -3.8266 -3.6562 -3.6562 -3.1190 -3.1190 1.1944 1.1944 1.5262 1.5262 2.3475 2.3475 2.3860 2.3860 3.2579 3.2579 4.1684 4.1684 4.3536 4.3536 6.1012 6.1012 6.4030 6.4030 6.7237 6.7237 7.4941 7.4941 k = 0.4872-0.7354-0.0223 ( 6264 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5130 -9.5130 -9.5021 -9.5021 -9.2765 -9.2765 -9.2536 -9.2536 -9.1999 -9.1999 -9.1833 -9.1833 -4.9470 -4.9470 -3.8245 -3.8245 -3.6488 -3.6488 -3.1488 -3.1488 1.2173 1.2173 1.5004 1.5004 2.3544 2.3544 2.3752 2.3752 3.2547 3.2547 4.1675 4.1675 4.3602 4.3602 6.0978 6.0978 6.4036 6.4036 6.7027 6.7027 7.5171 7.5171 k = 0.5000-0.7548-0.0229 ( 6268 PWs) bands (ev): -25.7828 -25.7828 -25.7779 -25.7779 -9.5130 -9.5130 -9.5022 -9.5022 -9.2765 -9.2765 -9.2537 -9.2537 -9.1999 -9.1999 -9.1833 -9.1833 -4.9413 -4.9413 -3.8248 -3.8248 -3.6449 -3.6449 -3.1594 -3.1594 1.2262 1.2262 1.4904 1.4904 2.3600 2.3600 2.3684 2.3684 3.2536 3.2536 4.1672 4.1672 4.3625 4.3625 6.0965 6.0965 6.4042 6.4042 6.6953 6.6953 7.5254 7.5254 k = 0.5000-0.7548 0.4994 ( 6252 PWs) bands (ev): -25.7828 -25.7828 -25.7779 -25.7779 -9.5139 -9.5139 -9.5024 -9.5024 -9.2775 -9.2775 -9.2545 -9.2545 -9.2023 -9.2023 -9.1867 -9.1867 -4.9254 -4.9254 -3.7739 -3.7739 -3.6055 -3.6055 -3.2155 -3.2155 1.1482 1.1482 1.4092 1.4092 2.2077 2.2077 2.4463 2.4463 3.7466 3.7466 3.8627 3.8627 4.1405 4.1405 6.1146 6.1146 6.4943 6.4943 6.8438 6.8438 7.5165 7.5165 k = 0.4889-0.7380 0.4883 ( 6255 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5139 -9.5139 -9.5024 -9.5024 -9.2775 -9.2775 -9.2544 -9.2544 -9.2023 -9.2023 -9.1867 -9.1867 -4.9294 -4.9294 -3.7746 -3.7746 -3.6095 -3.6095 -3.2061 -3.2061 1.1426 1.1426 1.4157 1.4157 2.2090 2.2090 2.4464 2.4464 3.7369 3.7369 3.8678 3.8678 4.1462 4.1462 6.1152 6.1152 6.4944 6.4944 6.8466 6.8466 7.5174 7.5174 k = 0.4778-0.7212 0.4772 ( 6254 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5138 -9.5138 -9.5021 -9.5021 -9.2774 -9.2774 -9.2542 -9.2542 -9.2024 -9.2024 -9.1867 -9.1867 -4.9413 -4.9413 -3.7787 -3.7787 -3.6178 -3.6178 -3.1796 -3.1796 1.1273 1.1273 1.4331 1.4331 2.2131 2.2131 2.4468 2.4468 3.7138 3.7138 3.8773 3.8773 4.1630 4.1630 6.1173 6.1173 6.4948 6.4948 6.8550 6.8550 7.5199 7.5199 k = 0.4667-0.7045 0.4661 ( 6255 PWs) bands (ev): -25.7829 -25.7829 -25.7779 -25.7779 -9.5137 -9.5137 -9.5018 -9.5018 -9.2772 -9.2772 -9.2539 -9.2539 -9.2025 -9.2025 -9.1867 -9.1867 -4.9606 -4.9606 -3.7910 -3.7910 -3.6219 -3.6219 -3.1403 -3.1403 1.1063 1.1063 1.4573 1.4573 2.2206 2.2206 2.4468 2.4468 3.6862 3.6862 3.8841 3.8841 4.1896 4.1896 6.1208 6.1208 6.4955 6.4955 6.8686 6.8686 7.5242 7.5242 k = 0.4556-0.6877 0.4550 ( 6256 PWs) bands (ev): -25.7830 -25.7830 -25.7779 -25.7779 -9.5135 -9.5135 -9.5012 -9.5012 -9.2770 -9.2770 -9.2535 -9.2535 -9.2027 -9.2027 -9.1867 -9.1867 -4.9864 -4.9864 -3.8152 -3.8152 -3.6152 -3.6152 -3.0919 -3.0919 1.0830 1.0830 1.4844 1.4844 2.2321 2.2321 2.4459 2.4459 3.6595 3.6595 3.8853 3.8853 4.2234 4.2234 6.1260 6.1260 6.4966 6.4966 6.8871 6.8871 7.5302 7.5302 k = 0.4444-0.6709 0.4439 ( 6250 PWs) bands (ev): -25.7831 -25.7831 -25.7780 -25.7780 -9.5133 -9.5133 -9.5005 -9.5005 -9.2767 -9.2767 -9.2529 -9.2529 -9.2029 -9.2029 -9.1867 -9.1867 -5.0180 -5.0180 -3.8498 -3.8498 -3.5973 -3.5973 -3.0374 -3.0374 1.0598 1.0598 1.5115 1.5115 2.2481 2.2481 2.4439 2.4439 3.6366 3.6366 3.8811 3.8811 4.2616 4.2616 6.1331 6.1331 6.4979 6.4979 6.9101 6.9101 7.5377 7.5377 k = 0.4333-0.6542 0.4328 ( 6251 PWs) bands (ev): -25.7832 -25.7832 -25.7780 -25.7780 -9.5130 -9.5130 -9.4997 -9.4997 -9.2764 -9.2764 -9.2522 -9.2522 -9.2032 -9.2032 -9.1867 -9.1867 -5.0543 -5.0543 -3.8912 -3.8912 -3.5711 -3.5711 -2.9784 -2.9784 1.0383 1.0383 1.5367 1.5367 2.2680 2.2680 2.4413 2.4413 3.6196 3.6196 3.8723 3.8723 4.3015 4.3015 6.1424 6.1424 6.4995 6.4995 6.9371 6.9371 7.5466 7.5466 k = 0.4222-0.6374 0.4217 ( 6249 PWs) bands (ev): -25.7833 -25.7833 -25.7781 -25.7781 -9.5127 -9.5127 -9.4988 -9.4988 -9.2760 -9.2760 -9.2514 -9.2514 -9.2035 -9.2035 -9.1867 -9.1867 -5.0945 -5.0945 -3.9364 -3.9364 -3.5393 -3.5393 -2.9161 -2.9161 1.0194 1.0194 1.5587 1.5587 2.2889 2.2889 2.4411 2.4411 3.6095 3.6095 3.8599 3.8599 4.3409 4.3409 6.1539 6.1539 6.5014 6.5014 6.9674 6.9674 7.5566 7.5566 k = 0.4111-0.6206 0.4106 ( 6254 PWs) bands (ev): -25.7834 -25.7834 -25.7781 -25.7781 -9.5124 -9.5124 -9.4977 -9.4977 -9.2755 -9.2755 -9.2505 -9.2505 -9.2038 -9.2038 -9.1867 -9.1867 -5.1377 -5.1377 -3.9837 -3.9837 -3.5042 -3.5042 -2.8512 -2.8512 1.0039 1.0039 1.5772 1.5772 2.3035 2.3035 2.4502 2.4502 3.6068 3.6068 3.8449 3.8449 4.3781 4.3781 6.1680 6.1680 6.5036 6.5036 7.0004 7.0004 7.5674 7.5674 k = 0.4000-0.6038 0.3995 ( 6253 PWs) bands (ev): -25.7836 -25.7836 -25.7782 -25.7782 -9.5120 -9.5120 -9.4966 -9.4966 -9.2750 -9.2750 -9.2494 -9.2494 -9.2041 -9.2041 -9.1867 -9.1867 -5.1833 -5.1833 -4.0319 -4.0319 -3.4670 -3.4670 -2.7841 -2.7841 0.9925 0.9925 1.5923 1.5923 2.3035 2.3035 2.4768 2.4768 3.6113 3.6113 3.8281 3.8281 4.4120 4.4120 6.1846 6.1846 6.5062 6.5062 7.0351 7.0351 7.5784 7.5784 k = 0.3889-0.5871 0.3884 ( 6256 PWs) bands (ev): -25.7838 -25.7838 -25.7782 -25.7782 -9.5115 -9.5115 -9.4953 -9.4953 -9.2744 -9.2744 -9.2482 -9.2482 -9.2045 -9.2045 -9.1867 -9.1867 -5.2307 -5.2307 -4.0804 -4.0804 -3.4289 -3.4289 -2.7153 -2.7153 0.9853 0.9853 1.6044 1.6044 2.2883 2.2883 2.5210 2.5210 3.6224 3.6224 3.8104 3.8104 4.4417 4.4417 6.2038 6.2038 6.5092 6.5092 7.0705 7.0705 7.5892 7.5892 k = 0.3778-0.5703 0.3773 ( 6250 PWs) bands (ev): -25.7839 -25.7839 -25.7783 -25.7783 -9.5111 -9.5111 -9.4939 -9.4939 -9.2737 -9.2737 -9.2469 -9.2469 -9.2048 -9.2048 -9.1867 -9.1867 -5.2793 -5.2793 -4.1287 -4.1287 -3.3907 -3.3907 -2.6450 -2.6450 0.9828 0.9828 1.6144 1.6144 2.2627 2.2627 2.5777 2.5777 3.6390 3.6390 3.7927 3.7927 4.4666 4.4666 6.2253 6.2253 6.5128 6.5128 7.1049 7.1049 7.6000 7.6000 k = 0.3667-0.5535 0.3662 ( 6252 PWs) bands (ev): -25.7841 -25.7841 -25.7784 -25.7784 -9.5106 -9.5106 -9.4925 -9.4925 -9.2730 -9.2730 -9.2455 -9.2455 -9.2052 -9.2052 -9.1867 -9.1867 -5.3287 -5.3287 -4.1765 -4.1765 -3.3531 -3.3531 -2.5733 -2.5733 0.9853 0.9853 1.6230 1.6230 2.2304 2.2304 2.6424 2.6424 3.6592 3.6592 3.7765 3.7765 4.4868 4.4868 6.2488 6.2488 6.5171 6.5171 7.1362 7.1362 7.6116 7.6116 k = 0.3556-0.5367 0.3551 ( 6256 PWs) bands (ev): -25.7843 -25.7843 -25.7785 -25.7785 -9.5101 -9.5101 -9.4910 -9.4910 -9.2722 -9.2722 -9.2440 -9.2440 -9.2056 -9.2056 -9.1867 -9.1867 -5.3785 -5.3785 -4.2236 -4.2236 -3.3166 -3.3166 -2.5006 -2.5006 0.9928 0.9928 1.6310 1.6310 2.1939 2.1939 2.7122 2.7122 3.6800 3.6800 3.7645 3.7645 4.5024 4.5024 6.2739 6.2739 6.5224 6.5224 7.1616 7.1616 7.6262 7.6262 k = 0.3444-0.5200 0.3440 ( 6253 PWs) bands (ev): -25.7845 -25.7845 -25.7786 -25.7786 -9.5096 -9.5096 -9.4894 -9.4894 -9.2713 -9.2713 -9.2424 -9.2424 -9.2059 -9.2059 -9.1867 -9.1867 -5.4285 -5.4285 -4.2699 -4.2699 -3.2816 -3.2816 -2.4271 -2.4271 1.0055 1.0055 1.6392 1.6392 2.1547 2.1547 2.7849 2.7849 3.6953 3.6953 3.7627 3.7627 4.5139 4.5139 6.2998 6.2998 6.5288 6.5288 7.1780 7.1780 7.6468 7.6468 k = 0.3333-0.5032 0.3329 ( 6250 PWs) bands (ev): -25.7848 -25.7848 -25.7787 -25.7787 -9.5091 -9.5091 -9.4878 -9.4878 -9.2704 -9.2704 -9.2406 -9.2406 -9.2063 -9.2063 -9.1868 -9.1868 -5.4783 -5.4783 -4.3153 -4.3153 -3.2484 -3.2484 -2.3529 -2.3529 1.0234 1.0234 1.6481 1.6481 2.1139 2.1139 2.8580 2.8580 3.7002 3.7002 3.7758 3.7758 4.5221 4.5221 6.3260 6.3260 6.5366 6.5366 7.1831 7.1831 7.6761 7.6761 k = 0.3222-0.4864 0.3218 ( 6250 PWs) bands (ev): -25.7850 -25.7850 -25.7788 -25.7788 -9.5086 -9.5086 -9.4861 -9.4861 -9.2694 -9.2694 -9.2388 -9.2388 -9.2066 -9.2066 -9.1868 -9.1868 -5.5278 -5.5278 -4.3595 -4.3595 -3.2172 -3.2172 -2.2784 -2.2784 1.0467 1.0467 1.6583 1.6583 2.0724 2.0724 2.9291 2.9291 3.7007 3.7007 3.7982 3.7982 4.5284 4.5284 6.3517 6.3517 6.5459 6.5459 7.1759 7.1759 7.7154 7.7154 k = 0.3111-0.4696 0.3107 ( 6255 PWs) bands (ev): -25.7852 -25.7852 -25.7789 -25.7789 -9.5081 -9.5081 -9.4844 -9.4844 -9.2685 -9.2685 -9.2368 -9.2368 -9.2068 -9.2068 -9.1868 -9.1868 -5.5767 -5.5767 -4.4026 -4.4026 -3.1882 -3.1882 -2.2037 -2.2037 1.0753 1.0753 1.6701 1.6701 2.0311 2.0311 2.9952 2.9952 3.7051 3.7051 3.8226 3.8226 4.5339 4.5339 6.3764 6.3764 6.5565 6.5565 7.1577 7.1577 7.7643 7.7643 k = 0.3000-0.4529 0.2996 ( 6260 PWs) bands (ev): -25.7855 -25.7855 -25.7791 -25.7791 -9.5076 -9.5076 -9.4827 -9.4827 -9.2675 -9.2675 -9.2348 -9.2348 -9.2071 -9.2071 -9.1869 -9.1869 -5.6250 -5.6250 -4.4444 -4.4444 -3.1616 -3.1616 -2.1291 -2.1291 1.1090 1.1090 1.6837 1.6837 1.9906 1.9906 3.0530 3.0530 3.7179 3.7179 3.8456 3.8456 4.5403 4.5403 6.3996 6.3996 6.5680 6.5680 7.1308 7.1308 7.8208 7.8208 k = 0.2889-0.4361 0.2885 ( 6258 PWs) bands (ev): -25.7857 -25.7857 -25.7792 -25.7792 -9.5072 -9.5072 -9.4809 -9.4809 -9.2664 -9.2664 -9.2327 -9.2327 -9.2072 -9.2072 -9.1869 -9.1869 -5.6724 -5.6724 -4.4850 -4.4850 -3.1373 -3.1373 -2.0549 -2.0549 1.1479 1.1479 1.6991 1.6991 1.9519 1.9519 3.0994 3.0994 3.7414 3.7414 3.8663 3.8663 4.5490 4.5490 6.4213 6.4213 6.5796 6.5796 7.0980 7.0980 7.8823 7.8823 k = 0.2778-0.4193 0.2774 ( 6257 PWs) bands (ev): -25.7860 -25.7860 -25.7793 -25.7793 -9.5067 -9.5067 -9.4791 -9.4791 -9.2654 -9.2654 -9.2305 -9.2305 -9.2073 -9.2073 -9.1869 -9.1869 -5.7188 -5.7188 -4.5242 -4.5242 -3.1153 -3.1153 -1.9813 -1.9813 1.1917 1.1917 1.7157 1.7157 1.9160 1.9160 3.1326 3.1326 3.7733 3.7733 3.8873 3.8873 4.5613 4.5613 6.4413 6.4413 6.5901 6.5901 7.0619 7.0619 7.9452 7.9452 k = 0.2667-0.4026 0.2663 ( 6256 PWs) bands (ev): -25.7862 -25.7862 -25.7794 -25.7794 -9.5063 -9.5063 -9.4774 -9.4774 -9.2644 -9.2644 -9.2283 -9.2283 -9.2073 -9.2073 -9.1869 -9.1869 -5.7642 -5.7642 -4.5621 -4.5621 -3.0957 -3.0957 -1.9086 -1.9086 1.2402 1.2402 1.7320 1.7320 1.8854 1.8854 3.1527 3.1527 3.8033 3.8033 3.9176 3.9176 4.5780 4.5780 6.4595 6.4595 6.5983 6.5983 7.0253 7.0253 8.0044 8.0044 k = 0.2556-0.3858 0.2552 ( 6250 PWs) bands (ev): -25.7865 -25.7865 -25.7796 -25.7796 -9.5059 -9.5059 -9.4757 -9.4757 -9.2634 -9.2634 -9.2260 -9.2260 -9.2072 -9.2072 -9.1870 -9.1870 -5.8084 -5.8084 -4.5986 -4.5986 -3.0783 -3.0783 -1.8372 -1.8372 1.2928 1.2928 1.7439 1.7439 1.8645 1.8645 3.1616 3.1616 3.8170 3.8170 3.9694 3.9694 4.5992 4.5992 6.4753 6.4753 6.6035 6.6035 6.9906 6.9906 8.0509 8.0509 k = 0.2444-0.3690 0.2441 ( 6247 PWs) bands (ev): -25.7867 -25.7867 -25.7797 -25.7797 -9.5055 -9.5055 -9.4739 -9.4739 -9.2625 -9.2625 -9.2236 -9.2236 -9.2070 -9.2070 -9.1870 -9.1870 -5.8513 -5.8513 -4.6336 -4.6336 -3.0630 -3.0630 -1.7672 -1.7672 1.3490 1.3490 1.7446 1.7446 1.8610 1.8610 3.1621 3.1621 3.8137 3.8137 4.0407 4.0407 4.6246 4.6246 6.4869 6.4869 6.6065 6.6065 6.9597 6.9597 8.0716 8.0716 k = 0.2333-0.3522 0.2330 ( 6242 PWs) bands (ev): -25.7870 -25.7870 -25.7798 -25.7798 -9.5052 -9.5052 -9.4722 -9.4722 -9.2616 -9.2616 -9.2212 -9.2212 -9.2066 -9.2066 -9.1870 -9.1870 -5.8929 -5.8929 -4.6672 -4.6672 -3.0498 -3.0498 -1.6989 -1.6989 1.4075 1.4075 1.7334 1.7334 1.8765 1.8765 3.1567 3.1567 3.7993 3.7993 4.1232 4.1232 4.6537 4.6537 6.4905 6.4905 6.6101 6.6101 6.9340 6.9340 8.0589 8.0589 k = 0.2222-0.3355 0.2219 ( 6246 PWs) bands (ev): -25.7872 -25.7872 -25.7800 -25.7800 -9.5049 -9.5049 -9.4706 -9.4706 -9.2607 -9.2607 -9.2189 -9.2189 -9.2062 -9.2062 -9.1870 -9.1870 -5.9330 -5.9330 -4.6993 -4.6993 -3.0385 -3.0385 -1.6327 -1.6327 1.4659 1.4659 1.7194 1.7194 1.9045 1.9045 3.1474 3.1474 3.7777 3.7777 4.2112 4.2112 4.6856 4.6856 6.4829 6.4829 6.6186 6.6186 6.9134 6.9134 8.0164 8.0164 k = 0.2111-0.3187 0.2108 ( 6247 PWs) bands (ev): -25.7875 -25.7875 -25.7801 -25.7801 -9.5046 -9.5046 -9.4690 -9.4690 -9.2600 -9.2600 -9.2165 -9.2165 -9.2056 -9.2056 -9.1870 -9.1870 -5.9716 -5.9716 -4.7299 -4.7299 -3.0290 -3.0290 -1.5686 -1.5686 1.5178 1.5178 1.7134 1.7134 1.9397 1.9397 3.1361 3.1361 3.7512 3.7512 4.3011 4.3011 4.7198 4.7198 6.4645 6.4645 6.6326 6.6326 6.8972 6.8972 7.9502 7.9502 k = 0.2000-0.3019 0.1997 ( 6247 PWs) bands (ev): -25.7877 -25.7877 -25.7802 -25.7802 -9.5044 -9.5044 -9.4674 -9.4674 -9.2593 -9.2593 -9.2142 -9.2142 -9.2050 -9.2050 -9.1870 -9.1870 -6.0086 -6.0086 -4.7590 -4.7590 -3.0210 -3.0210 -1.5071 -1.5071 1.5513 1.5513 1.7294 1.7294 1.9798 1.9798 3.1238 3.1238 3.7214 3.7214 4.3897 4.3897 4.7555 4.7555 6.4392 6.4392 6.6492 6.6492 6.8849 6.8849 7.8663 7.8663 k = 0.1889-0.2851 0.1886 ( 6245 PWs) bands (ev): -25.7879 -25.7879 -25.7804 -25.7804 -9.5042 -9.5042 -9.4659 -9.4659 -9.2587 -9.2587 -9.2119 -9.2119 -9.2041 -9.2041 -9.1870 -9.1870 -6.0440 -6.0440 -4.7865 -4.7865 -3.0146 -3.0146 -1.4481 -1.4481 1.5594 1.5594 1.7749 1.7749 2.0237 2.0237 3.1116 3.1116 3.6895 3.6895 4.4742 4.4742 4.7926 4.7926 6.4117 6.4117 6.6638 6.6638 6.8768 6.8768 7.7701 7.7701 k = 0.1778-0.2684 0.1776 ( 6244 PWs) bands (ev): -25.7881 -25.7881 -25.7805 -25.7805 -9.5040 -9.5040 -9.4644 -9.4644 -9.2581 -9.2581 -9.2097 -9.2097 -9.2032 -9.2032 -9.1870 -9.1870 -6.0778 -6.0778 -4.8125 -4.8125 -3.0094 -3.0094 -1.3920 -1.3920 1.5517 1.5517 1.8401 1.8401 2.0708 2.0708 3.1002 3.1002 3.6567 3.6567 4.5519 4.5519 4.8309 4.8309 6.3859 6.3859 6.6708 6.6708 6.8745 6.8745 7.6673 7.6673 k = 0.1667-0.2516 0.1665 ( 6242 PWs) bands (ev): -25.7884 -25.7884 -25.7806 -25.7806 -9.5038 -9.5038 -9.4630 -9.4630 -9.2577 -9.2577 -9.2076 -9.2076 -9.2020 -9.2020 -9.1869 -9.1869 -6.1097 -6.1097 -4.8370 -4.8370 -3.0053 -3.0053 -1.3389 -1.3389 1.5378 1.5378 1.9145 1.9145 2.1206 2.1206 3.0904 3.0904 3.6238 3.6238 4.6203 4.6203 4.8700 4.8700 6.3650 6.3650 6.6657 6.6657 6.8783 6.8783 7.5647 7.5647 k = 0.1556-0.2348 0.1554 ( 6242 PWs) bands (ev): -25.7886 -25.7886 -25.7807 -25.7807 -9.5037 -9.5037 -9.4617 -9.4617 -9.2573 -9.2573 -9.2057 -9.2057 -9.2008 -9.2008 -9.1868 -9.1868 -6.1399 -6.1399 -4.8598 -4.8598 -3.0023 -3.0023 -1.2889 -1.2889 1.5223 1.5223 1.9925 1.9925 2.1732 2.1732 3.0826 3.0826 3.5917 3.5917 4.6779 4.6779 4.9086 4.9086 6.3514 6.3514 6.6472 6.6472 6.8839 6.8839 7.4706 7.4706 k = 0.1444-0.2181 0.1443 ( 6241 PWs) bands (ev): -25.7888 -25.7888 -25.7809 -25.7809 -9.5036 -9.5036 -9.4605 -9.4605 -9.2570 -9.2570 -9.2040 -9.2040 -9.1993 -9.1993 -9.1867 -9.1867 -6.1682 -6.1682 -4.8812 -4.8812 -3.0002 -3.0002 -1.2422 -1.2422 1.5067 1.5067 2.0707 2.0707 2.2290 2.2290 3.0775 3.0775 3.5611 3.5611 4.7245 4.7245 4.9442 4.9442 6.3465 6.3465 6.6179 6.6179 6.8806 6.8806 7.3966 7.3966 k = 0.1333-0.2013 0.1332 ( 6245 PWs) bands (ev): -25.7889 -25.7889 -25.7810 -25.7810 -9.5036 -9.5036 -9.4593 -9.4593 -9.2568 -9.2568 -9.2025 -9.2025 -9.1979 -9.1979 -9.1866 -9.1866 -6.1947 -6.1947 -4.9009 -4.9009 -2.9987 -2.9987 -1.1987 -1.1987 1.4918 1.4918 2.1451 2.1451 2.2895 2.2895 3.0755 3.0755 3.5328 3.5328 4.7613 4.7613 4.9739 4.9739 6.3490 6.3490 6.5827 6.5827 6.8565 6.8565 7.3557 7.3557 k = 0.1222-0.1845 0.1221 ( 6250 PWs) bands (ev): -25.7891 -25.7891 -25.7811 -25.7811 -9.5035 -9.5035 -9.4582 -9.4582 -9.2567 -9.2567 -9.2012 -9.2012 -9.1964 -9.1964 -9.1863 -9.1863 -6.2192 -6.2192 -4.9191 -4.9191 -2.9979 -2.9979 -1.1586 -1.1586 1.4781 1.4781 2.2118 2.2118 2.3565 2.3565 3.0767 3.0767 3.5074 3.5074 4.7898 4.7898 4.9949 4.9949 6.3512 6.3512 6.5510 6.5510 6.8085 6.8085 7.3526 7.3526 k = 0.1111-0.1677 0.1110 ( 6256 PWs) bands (ev): -25.7893 -25.7893 -25.7812 -25.7812 -9.5035 -9.5035 -9.4572 -9.4572 -9.2565 -9.2565 -9.1999 -9.1999 -9.1950 -9.1950 -9.1861 -9.1861 -6.2417 -6.2417 -4.9357 -4.9357 -2.9975 -2.9975 -1.1220 -1.1220 1.4656 1.4656 2.2685 2.2685 2.4304 2.4304 3.0813 3.0813 3.4857 3.4857 4.8112 4.8112 5.0061 5.0061 6.3349 6.3349 6.5393 6.5393 6.7476 6.7476 7.3802 7.3802 k = 0.1000-0.1510 0.0999 ( 6254 PWs) bands (ev): -25.7894 -25.7894 -25.7813 -25.7813 -9.5034 -9.5034 -9.4563 -9.4563 -9.2565 -9.2565 -9.1987 -9.1987 -9.1938 -9.1938 -9.1857 -9.1857 -6.2621 -6.2621 -4.9507 -4.9507 -2.9975 -2.9975 -1.0888 -1.0888 1.4543 1.4543 2.3151 2.3151 2.5092 2.5092 3.0889 3.0889 3.4686 3.4686 4.8263 4.8263 5.0079 5.0079 6.2879 6.2879 6.5502 6.5502 6.6957 6.6957 7.4276 7.4276 k = 0.0889-0.1342 0.0888 ( 6253 PWs) bands (ev): -25.7896 -25.7896 -25.7813 -25.7813 -9.5034 -9.5034 -9.4555 -9.4555 -9.2564 -9.2564 -9.1976 -9.1976 -9.1928 -9.1928 -9.1852 -9.1852 -6.2806 -6.2806 -4.9642 -4.9642 -2.9978 -2.9978 -1.0590 -1.0590 1.4444 1.4444 2.3531 2.3531 2.5895 2.5895 3.0988 3.0988 3.4566 3.4566 4.8353 4.8353 5.0026 5.0026 6.2187 6.2187 6.5422 6.5422 6.6936 6.6936 7.4867 7.4867 k = 0.0778-0.1174 0.0777 ( 6256 PWs) bands (ev): -25.7897 -25.7897 -25.7814 -25.7814 -9.5034 -9.5034 -9.4547 -9.4547 -9.2564 -9.2564 -9.1966 -9.1966 -9.1920 -9.1920 -9.1846 -9.1846 -6.2969 -6.2969 -4.9760 -4.9760 -2.9982 -2.9982 -1.0328 -1.0328 1.4358 1.4358 2.3838 2.3838 2.6682 2.6682 3.1101 3.1101 3.4503 3.4503 4.8377 4.8377 4.9931 4.9931 6.1391 6.1391 6.5007 6.5007 6.7491 6.7491 7.5518 7.5518 k = 0.0667-0.1006 0.0666 ( 6255 PWs) bands (ev): -25.7898 -25.7898 -25.7815 -25.7815 -9.5034 -9.5034 -9.4541 -9.4541 -9.2564 -9.2564 -9.1957 -9.1957 -9.1915 -9.1915 -9.1840 -9.1840 -6.3111 -6.3111 -4.9863 -4.9863 -2.9988 -2.9988 -1.0101 -1.0101 1.4284 1.4284 2.4082 2.4082 2.7426 2.7426 3.1219 3.1219 3.4498 3.4498 4.8330 4.8330 4.9831 4.9831 6.0570 6.0570 6.4536 6.4536 6.8290 6.8290 7.6183 7.6183 k = 0.0556-0.0839 0.0555 ( 6256 PWs) bands (ev): -25.7899 -25.7899 -25.7815 -25.7815 -9.5034 -9.5034 -9.4535 -9.4535 -9.2564 -9.2564 -9.1949 -9.1949 -9.1912 -9.1912 -9.1833 -9.1833 -6.3232 -6.3232 -4.9950 -4.9950 -2.9994 -2.9994 -0.9909 -0.9909 1.4223 1.4223 2.4271 2.4271 2.8100 2.8100 3.1335 3.1335 3.4544 3.4544 4.8216 4.8216 4.9750 4.9750 5.9781 5.9781 6.4109 6.4109 6.9192 6.9192 7.6796 7.6796 k = 0.0444-0.0671 0.0444 ( 6254 PWs) bands (ev): -25.7900 -25.7900 -25.7816 -25.7816 -9.5034 -9.5034 -9.4531 -9.4531 -9.2564 -9.2564 -9.1941 -9.1941 -9.1910 -9.1910 -9.1827 -9.1827 -6.3331 -6.3331 -5.0021 -5.0021 -3.0000 -3.0000 -0.9751 -0.9751 1.4173 1.4173 2.4413 2.4413 2.8677 2.8677 3.1447 3.1447 3.4625 3.4625 4.8058 4.8058 4.9699 4.9699 5.9069 5.9069 6.3750 6.3750 7.0140 7.0140 7.7240 7.7240 k = 0.0333-0.0503 0.0333 ( 6256 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4527 -9.4527 -9.2564 -9.2564 -9.1935 -9.1935 -9.1910 -9.1910 -9.1822 -9.1822 -6.3408 -6.3408 -5.0077 -5.0077 -3.0004 -3.0004 -0.9629 -0.9629 1.4135 1.4135 2.4515 2.4515 2.9134 2.9134 3.1555 3.1555 3.4721 3.4721 4.7888 4.7888 4.9671 4.9671 5.8474 5.8474 6.3466 6.3466 7.1086 7.1086 7.7318 7.7318 k = 0.0222-0.0335 0.0222 ( 6258 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4525 -9.4525 -9.2564 -9.2564 -9.1930 -9.1930 -9.1910 -9.1910 -9.1818 -9.1818 -6.3464 -6.3464 -5.0116 -5.0116 -3.0008 -3.0008 -0.9542 -0.9542 1.4108 1.4108 2.4584 2.4584 2.9458 2.9458 3.1653 3.1653 3.4809 3.4809 4.7739 4.7739 4.9657 4.9657 5.8024 5.8024 6.3260 6.3260 7.1971 7.1971 7.6992 7.6992 k = 0.0111-0.0168 0.0111 ( 6256 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1926 -9.1926 -9.1911 -9.1911 -9.1815 -9.1815 -6.3497 -6.3497 -5.0140 -5.0140 -3.0011 -3.0011 -0.9489 -0.9489 1.4092 1.4092 2.4623 2.4623 2.9646 2.9646 3.1725 3.1725 3.4871 3.4871 4.7638 4.7638 4.9652 4.9652 5.7744 5.7744 6.3136 6.3136 7.2678 7.2678 7.6533 7.6533 k = 0.0000 0.0000 0.0000 ( 6255 PWs) bands (ev): -25.7901 -25.7901 -25.7816 -25.7816 -9.5034 -9.5034 -9.4523 -9.4523 -9.2564 -9.2564 -9.1925 -9.1925 -9.1912 -9.1912 -9.1815 -9.1815 -6.3508 -6.3508 -5.0148 -5.0148 -3.0011 -3.0011 -0.9472 -0.9472 1.4086 1.4086 2.4636 2.4636 2.9708 2.9708 3.1751 3.1751 3.4893 3.4893 4.7602 4.7602 4.9650 4.9650 5.7649 5.7649 6.3095 6.3095 7.2974 7.2974 7.6308 7.6308 Writing output data file KSb2.save init_run : 0.34s CPU 0.45s WALL ( 1 calls) electrons : 202.62s CPU 205.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 202.61s CPU 205.24s 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 : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 312 calls) cegterg : 181.10s CPU 183.17s WALL ( 346 calls) Called by sum_band: Called by *egterg: h_psi : 109.98s CPU 112.16s WALL ( 6370 calls) s_psi : 6.01s CPU 6.06s WALL ( 6370 calls) g_psi : 0.14s CPU 0.16s WALL ( 5712 calls) cdiaghg : 65.64s CPU 65.90s WALL ( 6024 calls) cegterg:over : 6.52s CPU 6.50s WALL ( 5712 calls) cegterg:upda : 4.00s CPU 4.03s WALL ( 5712 calls) cegterg:last : 2.39s CPU 2.38s WALL ( 1041 calls) cdiaghg:chol : 2.93s CPU 2.82s WALL ( 6024 calls) cdiaghg:inve : 1.60s CPU 1.64s WALL ( 6024 calls) cdiaghg:para : 3.44s CPU 3.51s WALL ( 12048 calls) Called by h_psi: h_psi:vloc : 96.62s CPU 98.55s WALL ( 6370 calls) h_psi:vnl : 13.21s CPU 13.47s WALL ( 6370 calls) add_vuspsi : 7.12s CPU 7.26s WALL ( 6370 calls) General routines calbec : 6.06s CPU 6.20s WALL ( 6370 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.90s CPU 94.57s WALL ( 657556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.14s WALL ( 624 calls) Parallel routines fft_scatter : 55.22s CPU 55.81s WALL ( 657579 calls) PWSCF : 3m48.96s CPU 4m10.18s WALL This run was terminated on: 7: 0:57 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=