Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:21: 2 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./AgBiSe2.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 100 40 12 3062 772 124 Max 101 41 13 3065 791 126 Sum 3621 1459 433 110287 28199 4481 bravais-lattice index = 14 lattice parameter (alat) = 13.2697 a.u. unit-cell volume = 668.7439 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.269656 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.824126 celldm(5)= 0.824126 celldm(6)= 0.824126 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.824126 0.566406 0.000000 ) a(3) = ( 0.824126 0.255898 0.505304 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.455009 -0.894100 ) b(2) = ( 0.000000 1.765517 -0.894100 ) b(3) = ( 0.000000 0.000000 1.979006 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 1.00) Ag 11.00 107.86820 Ag( 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 -0.0161668 -0.0099344), wk = 0.0033670 k( 3) = ( 0.0222222 -0.0323335 -0.0198689), wk = 0.0033670 k( 4) = ( 0.0333333 -0.0485003 -0.0298033), wk = 0.0033670 k( 5) = ( 0.0444444 -0.0646671 -0.0397378), wk = 0.0033670 k( 6) = ( 0.0555556 -0.0808338 -0.0496722), wk = 0.0033670 k( 7) = ( 0.0666667 -0.0970006 -0.0596067), wk = 0.0033670 k( 8) = ( 0.0777778 -0.1131674 -0.0695411), wk = 0.0033670 k( 9) = ( 0.0888889 -0.1293341 -0.0794755), wk = 0.0033670 k( 10) = ( 0.1000000 -0.1455009 -0.0894100), wk = 0.0033670 k( 11) = ( 0.1111111 -0.1616677 -0.0993444), wk = 0.0033670 k( 12) = ( 0.1222222 -0.1778344 -0.1092789), wk = 0.0033670 k( 13) = ( 0.1333333 -0.1940012 -0.1192133), wk = 0.0033670 k( 14) = ( 0.1444444 -0.2101680 -0.1291477), wk = 0.0033670 k( 15) = ( 0.1555556 -0.2263347 -0.1390822), wk = 0.0033670 k( 16) = ( 0.1666667 -0.2425015 -0.1490166), wk = 0.0033670 k( 17) = ( 0.1777778 -0.2586683 -0.1589511), wk = 0.0033670 k( 18) = ( 0.1888889 -0.2748350 -0.1688855), wk = 0.0033670 k( 19) = ( 0.2000000 -0.2910018 -0.1788200), wk = 0.0033670 k( 20) = ( 0.2111111 -0.3071686 -0.1887544), wk = 0.0033670 k( 21) = ( 0.2222222 -0.3233353 -0.1986888), wk = 0.0033670 k( 22) = ( 0.2333333 -0.3395021 -0.2086233), wk = 0.0033670 k( 23) = ( 0.2444444 -0.3556689 -0.2185577), wk = 0.0033670 k( 24) = ( 0.2555556 -0.3718356 -0.2284922), wk = 0.0033670 k( 25) = ( 0.2666667 -0.3880024 -0.2384266), wk = 0.0033670 k( 26) = ( 0.2777778 -0.4041692 -0.2483611), wk = 0.0033670 k( 27) = ( 0.2888889 -0.4203359 -0.2582955), wk = 0.0033670 k( 28) = ( 0.3000000 -0.4365027 -0.2682299), wk = 0.0033670 k( 29) = ( 0.3111111 -0.4526695 -0.2781644), wk = 0.0033670 k( 30) = ( 0.3222222 -0.4688362 -0.2880988), wk = 0.0033670 k( 31) = ( 0.3333333 -0.4850030 -0.2980333), wk = 0.0033670 k( 32) = ( 0.3444444 -0.5011698 -0.3079677), wk = 0.0033670 k( 33) = ( 0.3555556 -0.5173365 -0.3179022), wk = 0.0033670 k( 34) = ( 0.3666667 -0.5335033 -0.3278366), wk = 0.0033670 k( 35) = ( 0.3777778 -0.5496701 -0.3377710), wk = 0.0033670 k( 36) = ( 0.3888889 -0.5658368 -0.3477055), wk = 0.0033670 k( 37) = ( 0.4000000 -0.5820036 -0.3576399), wk = 0.0033670 k( 38) = ( 0.4111111 -0.5981704 -0.3675744), wk = 0.0033670 k( 39) = ( 0.4222222 -0.6143371 -0.3775088), wk = 0.0033670 k( 40) = ( 0.4333333 -0.6305039 -0.3874432), wk = 0.0033670 k( 41) = ( 0.4444444 -0.6466707 -0.3973777), wk = 0.0033670 k( 42) = ( 0.4555556 -0.6628375 -0.4073121), wk = 0.0033670 k( 43) = ( 0.4666667 -0.6790042 -0.4172466), wk = 0.0033670 k( 44) = ( 0.4777778 -0.6951710 -0.4271810), wk = 0.0033670 k( 45) = ( 0.4888889 -0.7113377 -0.4371155), wk = 0.0033670 k( 46) = ( 0.5000000 -0.7275045 -0.4470499), wk = 0.0033670 k( 47) = ( 0.5000000 -0.7275045 -0.4470499), wk = 0.0033670 k( 48) = ( 0.5000000 -0.7160102 -0.4657552), wk = 0.0033670 k( 49) = ( 0.5000000 -0.7045158 -0.4844605), wk = 0.0033670 k( 50) = ( 0.5000000 -0.6930215 -0.5031657), wk = 0.0033670 k( 51) = ( 0.5000000 -0.6815271 -0.5218710), wk = 0.0033670 k( 52) = ( 0.5000000 -0.6700327 -0.5405763), wk = 0.0033670 k( 53) = ( 0.5000000 -0.6585384 -0.5592816), wk = 0.0033670 k( 54) = ( 0.5000000 -0.6470440 -0.5779869), wk = 0.0033670 k( 55) = ( 0.5000000 -0.6355497 -0.5966922), wk = 0.0033670 k( 56) = ( 0.5000000 -0.6240553 -0.6153975), wk = 0.0033670 k( 57) = ( 0.5000000 -0.6125610 -0.6341027), wk = 0.0033670 k( 58) = ( 0.5000000 -0.6010666 -0.6528080), wk = 0.0033670 k( 59) = ( 0.5000000 -0.5895723 -0.6715133), wk = 0.0033670 k( 60) = ( 0.5000000 -0.5780779 -0.6902186), wk = 0.0033670 k( 61) = ( 0.5000000 -0.5665835 -0.7089239), wk = 0.0033670 k( 62) = ( 0.5000000 -0.5550892 -0.7276292), wk = 0.0033670 k( 63) = ( 0.5000000 -0.5435948 -0.7463344), wk = 0.0033670 k( 64) = ( 0.5000000 -0.5321005 -0.7650397), wk = 0.0033670 k( 65) = ( 0.5000000 -0.5206061 -0.7837450), wk = 0.0033670 k( 66) = ( 0.5000000 -0.5091118 -0.8024503), wk = 0.0033670 k( 67) = ( 0.5000000 -0.4976174 -0.8211556), wk = 0.0033670 k( 68) = ( 0.5000000 -0.4861231 -0.8398609), wk = 0.0033670 k( 69) = ( 0.5000000 -0.4746287 -0.8585662), wk = 0.0033670 k( 70) = ( 0.5000000 -0.4631343 -0.8772714), wk = 0.0033670 k( 71) = ( 0.5000000 -0.4516400 -0.8959767), wk = 0.0033670 k( 72) = ( 0.5000000 -0.4401456 -0.9146820), wk = 0.0033670 k( 73) = ( 0.5000000 -0.4286513 -0.9333873), wk = 0.0033670 k( 74) = ( 0.5000000 -0.4171569 -0.9520926), wk = 0.0033670 k( 75) = ( 0.5000000 -0.4056626 -0.9707978), wk = 0.0033670 k( 76) = ( 0.5000000 -0.3941682 -0.9895031), wk = 0.0033670 k( 77) = ( 0.8111962 -0.2975392 -0.7986965), wk = 0.0033670 k( 78) = ( 0.8045750 -0.2879053 -0.7796731), wk = 0.0033670 k( 79) = ( 0.7979538 -0.2782714 -0.7606497), wk = 0.0033670 k( 80) = ( 0.7913326 -0.2686375 -0.7416263), wk = 0.0033670 k( 81) = ( 0.7847115 -0.2590036 -0.7226029), wk = 0.0033670 k( 82) = ( 0.7780903 -0.2493697 -0.7035795), wk = 0.0033670 k( 83) = ( 0.7714691 -0.2397358 -0.6845561), wk = 0.0033670 k( 84) = ( 0.7648479 -0.2301019 -0.6655327), wk = 0.0033670 k( 85) = ( 0.7582267 -0.2204680 -0.6465093), wk = 0.0033670 k( 86) = ( 0.7516055 -0.2108341 -0.6274859), wk = 0.0033670 k( 87) = ( 0.7449843 -0.2012002 -0.6084625), wk = 0.0033670 k( 88) = ( 0.7383631 -0.1915663 -0.5894391), wk = 0.0033670 k( 89) = ( 0.7317419 -0.1819324 -0.5704157), wk = 0.0033670 k( 90) = ( 0.7251207 -0.1722985 -0.5513923), wk = 0.0033670 k( 91) = ( 0.7184995 -0.1626646 -0.5323689), wk = 0.0033670 k( 92) = ( 0.7118783 -0.1530307 -0.5133455), wk = 0.0033670 k( 93) = ( 0.7052571 -0.1433968 -0.4943221), wk = 0.0033670 k( 94) = ( 0.6986359 -0.1337629 -0.4752987), wk = 0.0033670 k( 95) = ( 0.6920147 -0.1241290 -0.4562753), wk = 0.0033670 k( 96) = ( 0.6853935 -0.1144951 -0.4372519), wk = 0.0033670 k( 97) = ( 0.6787723 -0.1048612 -0.4182285), wk = 0.0033670 k( 98) = ( 0.6721511 -0.0952273 -0.3992051), wk = 0.0033670 k( 99) = ( 0.6655299 -0.0855934 -0.3801817), wk = 0.0033670 k( 100) = ( 0.6589087 -0.0759595 -0.3611583), wk = 0.0033670 k( 101) = ( 0.6522875 -0.0663256 -0.3421349), wk = 0.0033670 k( 102) = ( 0.6456663 -0.0566917 -0.3231115), wk = 0.0033670 k( 103) = ( 0.6390451 -0.0470578 -0.3040881), wk = 0.0033670 k( 104) = ( 0.6324239 -0.0374239 -0.2850647), wk = 0.0033670 k( 105) = ( 0.6258027 -0.0277900 -0.2660413), wk = 0.0033670 k( 106) = ( 0.6191815 -0.0181561 -0.2470179), wk = 0.0033670 k( 107) = ( 0.6125603 -0.0085222 -0.2279945), wk = 0.0033670 k( 108) = ( 0.6059391 0.0011117 -0.2089711), wk = 0.0033670 k( 109) = ( 0.5993179 0.0107456 -0.1899477), wk = 0.0033670 k( 110) = ( 0.5926967 0.0203795 -0.1709243), wk = 0.0033670 k( 111) = ( 0.5860756 0.0300134 -0.1519009), wk = 0.0033670 k( 112) = ( 0.5794544 0.0396473 -0.1328775), wk = 0.0033670 k( 113) = ( 0.5728332 0.0492812 -0.1138541), wk = 0.0033670 k( 114) = ( 0.5662120 0.0589151 -0.0948307), wk = 0.0033670 k( 115) = ( 0.5595908 0.0685490 -0.0758073), wk = 0.0033670 k( 116) = ( 0.5529696 0.0781829 -0.0567839), wk = 0.0033670 k( 117) = ( 0.5463484 0.0878168 -0.0377605), wk = 0.0033670 k( 118) = ( 0.5397272 0.0974507 -0.0187371), wk = 0.0033670 k( 119) = ( 0.5331060 0.1070846 0.0002863), wk = 0.0033670 k( 120) = ( 0.5264848 0.1167185 0.0193097), wk = 0.0033670 k( 121) = ( 0.5198636 0.1263524 0.0383331), wk = 0.0033670 k( 122) = ( 0.5132424 0.1359863 0.0573565), wk = 0.0033670 k( 123) = ( 0.5066212 0.1456202 0.0763799), wk = 0.0033670 k( 124) = ( 0.5000000 0.1552541 0.0954033), wk = 0.0033670 k( 125) = ( 0.5000000 0.1552541 0.0954033), wk = 0.0033670 k( 126) = ( 0.4791667 0.1487852 0.0914282), wk = 0.0033670 k( 127) = ( 0.4583333 0.1423163 0.0874530), wk = 0.0033670 k( 128) = ( 0.4375000 0.1358474 0.0834779), wk = 0.0033670 k( 129) = ( 0.4166667 0.1293784 0.0795028), wk = 0.0033670 k( 130) = ( 0.3958333 0.1229095 0.0755276), wk = 0.0033670 k( 131) = ( 0.3750000 0.1164406 0.0715525), wk = 0.0033670 k( 132) = ( 0.3541667 0.1099717 0.0675773), wk = 0.0033670 k( 133) = ( 0.3333333 0.1035028 0.0636022), wk = 0.0033670 k( 134) = ( 0.3125000 0.0970338 0.0596271), wk = 0.0033670 k( 135) = ( 0.2916667 0.0905649 0.0556519), wk = 0.0033670 k( 136) = ( 0.2708333 0.0840960 0.0516768), wk = 0.0033670 k( 137) = ( 0.2500000 0.0776271 0.0477017), wk = 0.0033670 k( 138) = ( 0.2291667 0.0711581 0.0437265), wk = 0.0033670 k( 139) = ( 0.2083333 0.0646892 0.0397514), wk = 0.0033670 k( 140) = ( 0.1875000 0.0582203 0.0357762), wk = 0.0033670 k( 141) = ( 0.1666667 0.0517514 0.0318011), wk = 0.0033670 k( 142) = ( 0.1458333 0.0452825 0.0278260), wk = 0.0033670 k( 143) = ( 0.1250000 0.0388135 0.0238508), wk = 0.0033670 k( 144) = ( 0.1041667 0.0323446 0.0198757), wk = 0.0033670 k( 145) = ( 0.0833333 0.0258757 0.0159006), wk = 0.0033670 k( 146) = ( 0.0625000 0.0194068 0.0119254), wk = 0.0033670 k( 147) = ( 0.0416667 0.0129378 0.0079503), wk = 0.0033670 k( 148) = ( 0.0208333 0.0064689 0.0039751), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0066231 -0.0096367 -0.0190289), wk = 0.0033670 k( 152) = ( 0.0132462 -0.0192734 -0.0380578), wk = 0.0033670 k( 153) = ( 0.0198693 -0.0289101 -0.0570867), wk = 0.0033670 k( 154) = ( 0.0264925 -0.0385468 -0.0761156), wk = 0.0033670 k( 155) = ( 0.0331156 -0.0481835 -0.0951445), wk = 0.0033670 k( 156) = ( 0.0397387 -0.0578201 -0.1141734), wk = 0.0033670 k( 157) = ( 0.0463618 -0.0674568 -0.1332023), wk = 0.0033670 k( 158) = ( 0.0529849 -0.0770935 -0.1522312), wk = 0.0033670 k( 159) = ( 0.0596080 -0.0867302 -0.1712602), wk = 0.0033670 k( 160) = ( 0.0662311 -0.0963669 -0.1902891), wk = 0.0033670 k( 161) = ( 0.0728542 -0.1060036 -0.2093180), wk = 0.0033670 k( 162) = ( 0.0794774 -0.1156403 -0.2283469), wk = 0.0033670 k( 163) = ( 0.0861005 -0.1252770 -0.2473758), wk = 0.0033670 k( 164) = ( 0.0927236 -0.1349136 -0.2664047), wk = 0.0033670 k( 165) = ( 0.0993467 -0.1445503 -0.2854336), wk = 0.0033670 k( 166) = ( 0.1059698 -0.1541870 -0.3044625), wk = 0.0033670 k( 167) = ( 0.1125929 -0.1638237 -0.3234914), wk = 0.0033670 k( 168) = ( 0.1192160 -0.1734604 -0.3425203), wk = 0.0033670 k( 169) = ( 0.1258392 -0.1830971 -0.3615492), wk = 0.0033670 k( 170) = ( 0.1324623 -0.1927338 -0.3805781), wk = 0.0033670 k( 171) = ( 0.1390854 -0.2023705 -0.3996070), wk = 0.0033670 k( 172) = ( 0.1457085 -0.2120072 -0.4186359), wk = 0.0033670 k( 173) = ( 0.1523316 -0.2216439 -0.4376648), wk = 0.0033670 k( 174) = ( 0.1589547 -0.2312805 -0.4566937), wk = 0.0033670 k( 175) = ( 0.1655778 -0.2409172 -0.4757227), wk = 0.0033670 k( 176) = ( 0.1722009 -0.2505539 -0.4947516), wk = 0.0033670 k( 177) = ( 0.1788241 -0.2601906 -0.5137805), wk = 0.0033670 k( 178) = ( 0.1854472 -0.2698273 -0.5328094), wk = 0.0033670 k( 179) = ( 0.1920703 -0.2794640 -0.5518383), wk = 0.0033670 k( 180) = ( 0.1986934 -0.2891007 -0.5708672), wk = 0.0033670 k( 181) = ( 0.2053165 -0.2987374 -0.5898961), wk = 0.0033670 k( 182) = ( 0.2119396 -0.3083741 -0.6089250), wk = 0.0033670 k( 183) = ( 0.2185627 -0.3180107 -0.6279539), wk = 0.0033670 k( 184) = ( 0.2251858 -0.3276474 -0.6469828), wk = 0.0033670 k( 185) = ( 0.2318090 -0.3372841 -0.6660117), wk = 0.0033670 k( 186) = ( 0.2384321 -0.3469208 -0.6850406), wk = 0.0033670 k( 187) = ( 0.2450552 -0.3565575 -0.7040695), wk = 0.0033670 k( 188) = ( 0.2516783 -0.3661942 -0.7230984), wk = 0.0033670 k( 189) = ( 0.2583014 -0.3758309 -0.7421273), wk = 0.0033670 k( 190) = ( 0.2649245 -0.3854676 -0.7611562), wk = 0.0033670 k( 191) = ( 0.2715476 -0.3951043 -0.7801852), wk = 0.0033670 k( 192) = ( 0.2781708 -0.4047410 -0.7992141), wk = 0.0033670 k( 193) = ( 0.2847939 -0.4143776 -0.8182430), wk = 0.0033670 k( 194) = ( 0.2914170 -0.4240143 -0.8372719), wk = 0.0033670 k( 195) = ( 0.2980401 -0.4336510 -0.8563008), wk = 0.0033670 k( 196) = ( 0.3046632 -0.4432877 -0.8753297), wk = 0.0033670 k( 197) = ( 0.3112863 -0.4529244 -0.8943586), wk = 0.0033670 k( 198) = ( 0.3179094 -0.4625611 -0.9133875), wk = 0.0033670 k( 199) = ( 0.3245325 -0.4721978 -0.9324164), wk = 0.0033670 k( 200) = ( 0.3311557 -0.4818345 -0.9514453), wk = 0.0033670 k( 201) = ( 0.3377788 -0.4914712 -0.9704742), wk = 0.0033670 k( 202) = ( 0.3444019 -0.5011078 -0.9895031), wk = 0.0033670 k( 203) = ( 0.6555981 -0.3458537 -0.8940998), wk = 0.0033670 k( 204) = ( 0.6491149 -0.3249742 -0.8940998), wk = 0.0033670 k( 205) = ( 0.6426316 -0.3040947 -0.8940998), wk = 0.0033670 k( 206) = ( 0.6361484 -0.2832152 -0.8940998), wk = 0.0033670 k( 207) = ( 0.6296651 -0.2623357 -0.8940998), wk = 0.0033670 k( 208) = ( 0.6231819 -0.2414563 -0.8940998), wk = 0.0033670 k( 209) = ( 0.6166986 -0.2205768 -0.8940998), wk = 0.0033670 k( 210) = ( 0.6102153 -0.1996973 -0.8940998), wk = 0.0033670 k( 211) = ( 0.6037321 -0.1788178 -0.8940998), wk = 0.0033670 k( 212) = ( 0.5972488 -0.1579383 -0.8940998), wk = 0.0033670 k( 213) = ( 0.5907656 -0.1370588 -0.8940998), wk = 0.0033670 k( 214) = ( 0.5842823 -0.1161793 -0.8940998), wk = 0.0033670 k( 215) = ( 0.5777991 -0.0952998 -0.8940998), wk = 0.0033670 k( 216) = ( 0.5713158 -0.0744203 -0.8940998), wk = 0.0033670 k( 217) = ( 0.5648325 -0.0535408 -0.8940998), wk = 0.0033670 k( 218) = ( 0.5583493 -0.0326613 -0.8940998), wk = 0.0033670 k( 219) = ( 0.5518660 -0.0117818 -0.8940998), wk = 0.0033670 k( 220) = ( 0.5453828 0.0090977 -0.8940998), wk = 0.0033670 k( 221) = ( 0.5388995 0.0299772 -0.8940998), wk = 0.0033670 k( 222) = ( 0.5324163 0.0508566 -0.8940998), wk = 0.0033670 k( 223) = ( 0.5259330 0.0717362 -0.8940998), wk = 0.0033670 k( 224) = ( 0.5194498 0.0926156 -0.8940998), wk = 0.0033670 k( 225) = ( 0.5129665 0.1134951 -0.8940998), wk = 0.0033670 k( 226) = ( 0.5064833 0.1343746 -0.8940998), wk = 0.0033670 k( 227) = ( 0.5000000 0.1552541 -0.8940998), wk = 0.0033670 k( 228) = ( 0.5000000 0.1552541 -0.8940998), wk = 0.0033670 k( 229) = ( 0.5172887 0.1606224 -0.8834994), wk = 0.0033670 k( 230) = ( 0.5345774 0.1659907 -0.8728991), wk = 0.0033670 k( 231) = ( 0.5518660 0.1713590 -0.8622987), wk = 0.0033670 k( 232) = ( 0.5691547 0.1767272 -0.8516983), wk = 0.0033670 k( 233) = ( 0.5864434 0.1820955 -0.8410980), wk = 0.0033670 k( 234) = ( 0.6037321 0.1874638 -0.8304976), wk = 0.0033670 k( 235) = ( 0.6210208 0.1928321 -0.8198972), wk = 0.0033670 k( 236) = ( 0.6383094 0.1982003 -0.8092969), wk = 0.0033670 k( 237) = ( 0.6555981 0.2035686 -0.7986965), wk = 0.0033670 k( 238) = ( 0.6555981 0.2035686 -0.7986965), wk = 0.0033670 k( 239) = ( 0.6518031 0.2023902 -0.7768892), wk = 0.0033670 k( 240) = ( 0.6480080 0.2012118 -0.7550819), wk = 0.0033670 k( 241) = ( 0.6442129 0.2000334 -0.7332746), wk = 0.0033670 k( 242) = ( 0.6404178 0.1988550 -0.7114672), wk = 0.0033670 k( 243) = ( 0.6366227 0.1976766 -0.6896599), wk = 0.0033670 k( 244) = ( 0.6328277 0.1964982 -0.6678526), wk = 0.0033670 k( 245) = ( 0.6290326 0.1953198 -0.6460453), wk = 0.0033670 k( 246) = ( 0.6252375 0.1941414 -0.6242380), wk = 0.0033670 k( 247) = ( 0.6214424 0.1929630 -0.6024307), wk = 0.0033670 k( 248) = ( 0.6176474 0.1917846 -0.5806234), wk = 0.0033670 k( 249) = ( 0.6138523 0.1906062 -0.5588161), wk = 0.0033670 k( 250) = ( 0.6100572 0.1894278 -0.5370088), wk = 0.0033670 k( 251) = ( 0.6062621 0.1882494 -0.5152014), wk = 0.0033670 k( 252) = ( 0.6024671 0.1870710 -0.4933941), wk = 0.0033670 k( 253) = ( 0.5986720 0.1858926 -0.4715868), wk = 0.0033670 k( 254) = ( 0.5948769 0.1847142 -0.4497795), wk = 0.0033670 k( 255) = ( 0.5910818 0.1835358 -0.4279722), wk = 0.0033670 k( 256) = ( 0.5872867 0.1823574 -0.4061649), wk = 0.0033670 k( 257) = ( 0.5834917 0.1811790 -0.3843576), wk = 0.0033670 k( 258) = ( 0.5796966 0.1800006 -0.3625503), wk = 0.0033670 k( 259) = ( 0.5759015 0.1788222 -0.3407429), wk = 0.0033670 k( 260) = ( 0.5721065 0.1776438 -0.3189356), wk = 0.0033670 k( 261) = ( 0.5683114 0.1764654 -0.2971283), wk = 0.0033670 k( 262) = ( 0.5645163 0.1752870 -0.2753210), wk = 0.0033670 k( 263) = ( 0.5607212 0.1741086 -0.2535137), wk = 0.0033670 k( 264) = ( 0.5569261 0.1729302 -0.2317064), wk = 0.0033670 k( 265) = ( 0.5531311 0.1717518 -0.2098991), wk = 0.0033670 k( 266) = ( 0.5493360 0.1705734 -0.1880917), wk = 0.0033670 k( 267) = ( 0.5455409 0.1693950 -0.1662844), wk = 0.0033670 k( 268) = ( 0.5417458 0.1682166 -0.1444771), wk = 0.0033670 k( 269) = ( 0.5379508 0.1670382 -0.1226698), wk = 0.0033670 k( 270) = ( 0.5341557 0.1658598 -0.1008625), wk = 0.0033670 k( 271) = ( 0.5303606 0.1646813 -0.0790552), wk = 0.0033670 k( 272) = ( 0.5265655 0.1635029 -0.0572479), wk = 0.0033670 k( 273) = ( 0.5227705 0.1623245 -0.0354406), wk = 0.0033670 k( 274) = ( 0.5189754 0.1611461 -0.0136332), wk = 0.0033670 k( 275) = ( 0.5151803 0.1599677 0.0081741), wk = 0.0033670 k( 276) = ( 0.5113852 0.1587893 0.0299814), wk = 0.0033670 k( 277) = ( 0.5075901 0.1576109 0.0517887), wk = 0.0033670 k( 278) = ( 0.5037951 0.1564325 0.0735960), wk = 0.0033670 k( 279) = ( 0.5000000 0.1552541 0.0954033), wk = 0.0033670 k( 280) = ( 0.5000000 -0.7275045 -0.4470499), wk = 0.0033670 k( 281) = ( 0.5183057 -0.7183719 -0.4414379), wk = 0.0033670 k( 282) = ( 0.5366113 -0.7092393 -0.4358260), wk = 0.0033670 k( 283) = ( 0.5549170 -0.7001067 -0.4302140), wk = 0.0033670 k( 284) = ( 0.5732226 -0.6909741 -0.4246021), wk = 0.0033670 k( 285) = ( 0.5915283 -0.6818415 -0.4189901), wk = 0.0033670 k( 286) = ( 0.6098340 -0.6727090 -0.4133782), wk = 0.0033670 k( 287) = ( 0.6281396 -0.6635763 -0.4077662), wk = 0.0033670 k( 288) = ( 0.6464453 -0.6544438 -0.4021542), wk = 0.0033670 k( 289) = ( 0.6647509 -0.6453111 -0.3965423), wk = 0.0033670 k( 290) = ( 0.6830566 -0.6361786 -0.3909303), wk = 0.0033670 k( 291) = ( 0.7013623 -0.6270460 -0.3853183), wk = 0.0033670 k( 292) = ( 0.7196679 -0.6179134 -0.3797064), wk = 0.0033670 k( 293) = ( 0.7379736 -0.6087808 -0.3740944), wk = 0.0033670 k( 294) = ( 0.7562793 -0.5996482 -0.3684825), wk = 0.0033670 k( 295) = ( 0.7745849 -0.5905156 -0.3628705), wk = 0.0033670 k( 296) = ( 0.7928906 -0.5813830 -0.3572586), wk = 0.0033670 k( 297) = ( 0.8111962 -0.5722504 -0.3516466), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0222222 0.0000000 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0033670 k( 5) = ( 0.0444444 0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0033670 k( 8) = ( 0.0777778 -0.0000000 0.0000000), wk = 0.0033670 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0033670 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0033670 k( 15) = ( 0.1555556 -0.0000000 0.0000000), wk = 0.0033670 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0033670 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0033670 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0033670 k( 20) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0033670 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0033670 k( 30) = ( 0.3222222 0.0000000 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033670 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0033670 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0033670 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0033670 k( 39) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0033670 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0033670 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0033670 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0033670 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 48) = ( 0.5000000 0.0065105 -0.0065105), wk = 0.0033670 k( 49) = ( 0.5000000 0.0130210 -0.0130209), wk = 0.0033670 k( 50) = ( 0.5000000 0.0195314 -0.0195314), wk = 0.0033670 k( 51) = ( 0.5000000 0.0260419 -0.0260419), wk = 0.0033670 k( 52) = ( 0.5000000 0.0325524 -0.0325524), wk = 0.0033670 k( 53) = ( 0.5000000 0.0390628 -0.0390628), wk = 0.0033670 k( 54) = ( 0.5000000 0.0455733 -0.0455733), wk = 0.0033670 k( 55) = ( 0.5000000 0.0520838 -0.0520838), wk = 0.0033670 k( 56) = ( 0.5000000 0.0585943 -0.0585943), wk = 0.0033670 k( 57) = ( 0.5000000 0.0651047 -0.0651047), wk = 0.0033670 k( 58) = ( 0.5000000 0.0716152 -0.0716152), wk = 0.0033670 k( 59) = ( 0.5000000 0.0781257 -0.0781257), wk = 0.0033670 k( 60) = ( 0.5000000 0.0846362 -0.0846362), wk = 0.0033670 k( 61) = ( 0.5000000 0.0911466 -0.0911466), wk = 0.0033670 k( 62) = ( 0.5000000 0.0976571 -0.0976571), wk = 0.0033670 k( 63) = ( 0.5000000 0.1041676 -0.1041676), wk = 0.0033670 k( 64) = ( 0.5000000 0.1106781 -0.1106781), wk = 0.0033670 k( 65) = ( 0.5000000 0.1171885 -0.1171885), wk = 0.0033670 k( 66) = ( 0.5000000 0.1236990 -0.1236990), wk = 0.0033670 k( 67) = ( 0.5000000 0.1302095 -0.1302095), wk = 0.0033670 k( 68) = ( 0.5000000 0.1367200 -0.1367200), wk = 0.0033670 k( 69) = ( 0.5000000 0.1432304 -0.1432304), wk = 0.0033670 k( 70) = ( 0.5000000 0.1497409 -0.1497409), wk = 0.0033670 k( 71) = ( 0.5000000 0.1562514 -0.1562514), wk = 0.0033670 k( 72) = ( 0.5000000 0.1627619 -0.1627619), wk = 0.0033670 k( 73) = ( 0.5000000 0.1692723 -0.1692723), wk = 0.0033670 k( 74) = ( 0.5000000 0.1757828 -0.1757828), wk = 0.0033670 k( 75) = ( 0.5000000 0.1822933 -0.1822933), wk = 0.0033670 k( 76) = ( 0.5000000 0.1888038 -0.1888038), wk = 0.0033670 k( 77) = ( 0.8111962 0.5000000 0.1888038), wk = 0.0033670 k( 78) = ( 0.8045750 0.5000000 0.1954249), wk = 0.0033670 k( 79) = ( 0.7979538 0.5000000 0.2020462), wk = 0.0033670 k( 80) = ( 0.7913326 0.5000000 0.2086674), wk = 0.0033670 k( 81) = ( 0.7847115 0.5000000 0.2152885), wk = 0.0033670 k( 82) = ( 0.7780903 0.5000000 0.2219097), wk = 0.0033670 k( 83) = ( 0.7714691 0.5000000 0.2285309), wk = 0.0033670 k( 84) = ( 0.7648479 0.5000000 0.2351521), wk = 0.0033670 k( 85) = ( 0.7582267 0.5000000 0.2417733), wk = 0.0033670 k( 86) = ( 0.7516055 0.5000000 0.2483945), wk = 0.0033670 k( 87) = ( 0.7449843 0.5000000 0.2550157), wk = 0.0033670 k( 88) = ( 0.7383631 0.5000000 0.2616369), wk = 0.0033670 k( 89) = ( 0.7317419 0.5000000 0.2682581), wk = 0.0033670 k( 90) = ( 0.7251207 0.5000000 0.2748793), wk = 0.0033670 k( 91) = ( 0.7184995 0.5000000 0.2815005), wk = 0.0033670 k( 92) = ( 0.7118783 0.5000000 0.2881217), wk = 0.0033670 k( 93) = ( 0.7052571 0.5000000 0.2947429), wk = 0.0033670 k( 94) = ( 0.6986359 0.5000000 0.3013641), wk = 0.0033670 k( 95) = ( 0.6920147 0.5000000 0.3079853), wk = 0.0033670 k( 96) = ( 0.6853935 0.5000000 0.3146065), wk = 0.0033670 k( 97) = ( 0.6787723 0.5000000 0.3212277), wk = 0.0033670 k( 98) = ( 0.6721511 0.5000000 0.3278489), wk = 0.0033670 k( 99) = ( 0.6655299 0.5000000 0.3344701), wk = 0.0033670 k( 100) = ( 0.6589087 0.5000000 0.3410913), wk = 0.0033670 k( 101) = ( 0.6522875 0.5000000 0.3477125), wk = 0.0033670 k( 102) = ( 0.6456663 0.5000000 0.3543337), wk = 0.0033670 k( 103) = ( 0.6390451 0.5000000 0.3609549), wk = 0.0033670 k( 104) = ( 0.6324239 0.5000000 0.3675761), wk = 0.0033670 k( 105) = ( 0.6258027 0.5000000 0.3741973), wk = 0.0033670 k( 106) = ( 0.6191815 0.5000000 0.3808185), wk = 0.0033670 k( 107) = ( 0.6125603 0.5000000 0.3874397), wk = 0.0033670 k( 108) = ( 0.6059391 0.5000000 0.3940609), wk = 0.0033670 k( 109) = ( 0.5993179 0.5000000 0.4006821), wk = 0.0033670 k( 110) = ( 0.5926967 0.5000000 0.4073033), wk = 0.0033670 k( 111) = ( 0.5860756 0.5000000 0.4139244), wk = 0.0033670 k( 112) = ( 0.5794544 0.5000000 0.4205456), wk = 0.0033670 k( 113) = ( 0.5728332 0.5000000 0.4271668), wk = 0.0033670 k( 114) = ( 0.5662120 0.5000000 0.4337880), wk = 0.0033670 k( 115) = ( 0.5595908 0.5000000 0.4404092), wk = 0.0033670 k( 116) = ( 0.5529696 0.5000000 0.4470304), wk = 0.0033670 k( 117) = ( 0.5463484 0.5000000 0.4536516), wk = 0.0033670 k( 118) = ( 0.5397272 0.5000000 0.4602728), wk = 0.0033670 k( 119) = ( 0.5331060 0.5000000 0.4668940), wk = 0.0033670 k( 120) = ( 0.5264848 0.5000000 0.4735152), wk = 0.0033670 k( 121) = ( 0.5198636 0.5000000 0.4801364), wk = 0.0033670 k( 122) = ( 0.5132424 0.5000000 0.4867576), wk = 0.0033670 k( 123) = ( 0.5066212 0.5000000 0.4933788), wk = 0.0033670 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 126) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0033670 k( 127) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0033670 k( 128) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0033670 k( 129) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0033670 k( 130) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0033670 k( 131) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033670 k( 132) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0033670 k( 133) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033670 k( 134) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0033670 k( 135) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0033670 k( 136) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0033670 k( 137) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 138) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0033670 k( 139) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0033670 k( 140) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0033670 k( 141) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033670 k( 142) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0033670 k( 143) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033670 k( 144) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0033670 k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0033670 k( 146) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0033670 k( 147) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0033670 k( 148) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0066231 0.0000000 -0.0066231), wk = 0.0033670 k( 152) = ( 0.0132462 -0.0000000 -0.0132462), wk = 0.0033670 k( 153) = ( 0.0198693 0.0000000 -0.0198693), wk = 0.0033670 k( 154) = ( 0.0264925 0.0000000 -0.0264924), wk = 0.0033670 k( 155) = ( 0.0331156 0.0000000 -0.0331156), wk = 0.0033670 k( 156) = ( 0.0397387 0.0000000 -0.0397387), wk = 0.0033670 k( 157) = ( 0.0463618 -0.0000000 -0.0463618), wk = 0.0033670 k( 158) = ( 0.0529849 0.0000000 -0.0529849), wk = 0.0033670 k( 159) = ( 0.0596080 -0.0000000 -0.0596080), wk = 0.0033670 k( 160) = ( 0.0662311 -0.0000000 -0.0662311), wk = 0.0033670 k( 161) = ( 0.0728542 -0.0000000 -0.0728542), wk = 0.0033670 k( 162) = ( 0.0794774 0.0000000 -0.0794774), wk = 0.0033670 k( 163) = ( 0.0861005 -0.0000000 -0.0861005), wk = 0.0033670 k( 164) = ( 0.0927236 -0.0000000 -0.0927236), wk = 0.0033670 k( 165) = ( 0.0993467 -0.0000000 -0.0993467), wk = 0.0033670 k( 166) = ( 0.1059698 0.0000000 -0.1059698), wk = 0.0033670 k( 167) = ( 0.1125929 -0.0000000 -0.1125929), wk = 0.0033670 k( 168) = ( 0.1192160 0.0000000 -0.1192160), wk = 0.0033670 k( 169) = ( 0.1258392 -0.0000000 -0.1258392), wk = 0.0033670 k( 170) = ( 0.1324623 -0.0000000 -0.1324623), wk = 0.0033670 k( 171) = ( 0.1390854 -0.0000000 -0.1390854), wk = 0.0033670 k( 172) = ( 0.1457085 -0.0000000 -0.1457085), wk = 0.0033670 k( 173) = ( 0.1523316 0.0000000 -0.1523316), wk = 0.0033670 k( 174) = ( 0.1589547 -0.0000000 -0.1589547), wk = 0.0033670 k( 175) = ( 0.1655778 -0.0000000 -0.1655778), wk = 0.0033670 k( 176) = ( 0.1722009 -0.0000000 -0.1722009), wk = 0.0033670 k( 177) = ( 0.1788241 0.0000000 -0.1788241), wk = 0.0033670 k( 178) = ( 0.1854472 0.0000000 -0.1854472), wk = 0.0033670 k( 179) = ( 0.1920703 -0.0000000 -0.1920703), wk = 0.0033670 k( 180) = ( 0.1986934 -0.0000000 -0.1986934), wk = 0.0033670 k( 181) = ( 0.2053165 -0.0000000 -0.2053165), wk = 0.0033670 k( 182) = ( 0.2119396 0.0000000 -0.2119396), wk = 0.0033670 k( 183) = ( 0.2185627 -0.0000000 -0.2185627), wk = 0.0033670 k( 184) = ( 0.2251858 -0.0000000 -0.2251858), wk = 0.0033670 k( 185) = ( 0.2318090 -0.0000000 -0.2318090), wk = 0.0033670 k( 186) = ( 0.2384321 0.0000000 -0.2384321), wk = 0.0033670 k( 187) = ( 0.2450552 0.0000000 -0.2450552), wk = 0.0033670 k( 188) = ( 0.2516783 -0.0000000 -0.2516783), wk = 0.0033670 k( 189) = ( 0.2583014 -0.0000000 -0.2583014), wk = 0.0033670 k( 190) = ( 0.2649245 -0.0000000 -0.2649245), wk = 0.0033670 k( 191) = ( 0.2715476 0.0000000 -0.2715476), wk = 0.0033670 k( 192) = ( 0.2781708 0.0000000 -0.2781708), wk = 0.0033670 k( 193) = ( 0.2847939 -0.0000000 -0.2847939), wk = 0.0033670 k( 194) = ( 0.2914170 -0.0000000 -0.2914170), wk = 0.0033670 k( 195) = ( 0.2980401 0.0000000 -0.2980401), wk = 0.0033670 k( 196) = ( 0.3046632 0.0000000 -0.3046632), wk = 0.0033670 k( 197) = ( 0.3112863 -0.0000000 -0.3112863), wk = 0.0033670 k( 198) = ( 0.3179094 0.0000000 -0.3179094), wk = 0.0033670 k( 199) = ( 0.3245325 -0.0000000 -0.3245325), wk = 0.0033670 k( 200) = ( 0.3311557 -0.0000000 -0.3311557), wk = 0.0033670 k( 201) = ( 0.3377788 -0.0000000 -0.3377788), wk = 0.0033670 k( 202) = ( 0.3444019 -0.0000000 -0.3444019), wk = 0.0033670 k( 203) = ( 0.6555981 0.3444019 -0.0000000), wk = 0.0033670 k( 204) = ( 0.6491149 0.3508851 0.0000000), wk = 0.0033670 k( 205) = ( 0.6426316 0.3573684 0.0000000), wk = 0.0033670 k( 206) = ( 0.6361484 0.3638516 0.0000000), wk = 0.0033670 k( 207) = ( 0.6296651 0.3703349 0.0000000), wk = 0.0033670 k( 208) = ( 0.6231819 0.3768182 0.0000000), wk = 0.0033670 k( 209) = ( 0.6166986 0.3833014 0.0000000), wk = 0.0033670 k( 210) = ( 0.6102153 0.3897847 -0.0000000), wk = 0.0033670 k( 211) = ( 0.6037321 0.3962679 -0.0000000), wk = 0.0033670 k( 212) = ( 0.5972488 0.4027512 0.0000000), wk = 0.0033670 k( 213) = ( 0.5907656 0.4092344 0.0000000), wk = 0.0033670 k( 214) = ( 0.5842823 0.4157177 -0.0000000), wk = 0.0033670 k( 215) = ( 0.5777991 0.4222009 0.0000000), wk = 0.0033670 k( 216) = ( 0.5713158 0.4286842 0.0000000), wk = 0.0033670 k( 217) = ( 0.5648325 0.4351675 0.0000000), wk = 0.0033670 k( 218) = ( 0.5583493 0.4416507 -0.0000000), wk = 0.0033670 k( 219) = ( 0.5518660 0.4481340 0.0000000), wk = 0.0033670 k( 220) = ( 0.5453828 0.4546172 0.0000000), wk = 0.0033670 k( 221) = ( 0.5388995 0.4611005 0.0000000), wk = 0.0033670 k( 222) = ( 0.5324163 0.4675837 -0.0000000), wk = 0.0033670 k( 223) = ( 0.5259330 0.4740670 0.0000000), wk = 0.0033670 k( 224) = ( 0.5194498 0.4805502 0.0000000), wk = 0.0033670 k( 225) = ( 0.5129665 0.4870335 -0.0000000), wk = 0.0033670 k( 226) = ( 0.5064833 0.4935167 0.0000000), wk = 0.0033670 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033670 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033670 k( 229) = ( 0.5172887 0.5172887 0.0209782), wk = 0.0033670 k( 230) = ( 0.5345774 0.5345774 0.0419564), wk = 0.0033670 k( 231) = ( 0.5518660 0.5518660 0.0629346), wk = 0.0033670 k( 232) = ( 0.5691547 0.5691547 0.0839128), wk = 0.0033670 k( 233) = ( 0.5864434 0.5864434 0.1048910), wk = 0.0033670 k( 234) = ( 0.6037321 0.6037321 0.1258692), wk = 0.0033670 k( 235) = ( 0.6210208 0.6210208 0.1468474), wk = 0.0033670 k( 236) = ( 0.6383094 0.6383094 0.1678256), wk = 0.0033670 k( 237) = ( 0.6555981 0.6555981 0.1888038), wk = 0.0033670 k( 238) = ( 0.6555981 0.6555981 0.1888038), wk = 0.0033670 k( 239) = ( 0.6518031 0.6518031 0.1963939), wk = 0.0033670 k( 240) = ( 0.6480080 0.6480080 0.2039841), wk = 0.0033670 k( 241) = ( 0.6442129 0.6442129 0.2115742), wk = 0.0033670 k( 242) = ( 0.6404178 0.6404178 0.2191644), wk = 0.0033670 k( 243) = ( 0.6366227 0.6366227 0.2267545), wk = 0.0033670 k( 244) = ( 0.6328277 0.6328277 0.2343447), wk = 0.0033670 k( 245) = ( 0.6290326 0.6290326 0.2419348), wk = 0.0033670 k( 246) = ( 0.6252375 0.6252375 0.2495250), wk = 0.0033670 k( 247) = ( 0.6214424 0.6214424 0.2571151), wk = 0.0033670 k( 248) = ( 0.6176474 0.6176474 0.2647053), wk = 0.0033670 k( 249) = ( 0.6138523 0.6138523 0.2722954), wk = 0.0033670 k( 250) = ( 0.6100572 0.6100572 0.2798856), wk = 0.0033670 k( 251) = ( 0.6062621 0.6062621 0.2874757), wk = 0.0033670 k( 252) = ( 0.6024671 0.6024671 0.2950659), wk = 0.0033670 k( 253) = ( 0.5986720 0.5986720 0.3026560), wk = 0.0033670 k( 254) = ( 0.5948769 0.5948769 0.3102462), wk = 0.0033670 k( 255) = ( 0.5910818 0.5910818 0.3178363), wk = 0.0033670 k( 256) = ( 0.5872867 0.5872867 0.3254265), wk = 0.0033670 k( 257) = ( 0.5834917 0.5834917 0.3330166), wk = 0.0033670 k( 258) = ( 0.5796966 0.5796966 0.3406068), wk = 0.0033670 k( 259) = ( 0.5759015 0.5759015 0.3481969), wk = 0.0033670 k( 260) = ( 0.5721065 0.5721065 0.3557871), wk = 0.0033670 k( 261) = ( 0.5683114 0.5683114 0.3633773), wk = 0.0033670 k( 262) = ( 0.5645163 0.5645163 0.3709674), wk = 0.0033670 k( 263) = ( 0.5607212 0.5607212 0.3785576), wk = 0.0033670 k( 264) = ( 0.5569261 0.5569261 0.3861477), wk = 0.0033670 k( 265) = ( 0.5531311 0.5531311 0.3937379), wk = 0.0033670 k( 266) = ( 0.5493360 0.5493360 0.4013280), wk = 0.0033670 k( 267) = ( 0.5455409 0.5455409 0.4089182), wk = 0.0033670 k( 268) = ( 0.5417458 0.5417458 0.4165083), wk = 0.0033670 k( 269) = ( 0.5379508 0.5379508 0.4240985), wk = 0.0033670 k( 270) = ( 0.5341557 0.5341557 0.4316886), wk = 0.0033670 k( 271) = ( 0.5303606 0.5303606 0.4392788), wk = 0.0033670 k( 272) = ( 0.5265655 0.5265655 0.4468689), wk = 0.0033670 k( 273) = ( 0.5227705 0.5227705 0.4544591), wk = 0.0033670 k( 274) = ( 0.5189754 0.5189754 0.4620492), wk = 0.0033670 k( 275) = ( 0.5151803 0.5151803 0.4696394), wk = 0.0033670 k( 276) = ( 0.5113852 0.5113852 0.4772295), wk = 0.0033670 k( 277) = ( 0.5075901 0.5075901 0.4848197), wk = 0.0033670 k( 278) = ( 0.5037951 0.5037951 0.4924098), wk = 0.0033670 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 281) = ( 0.5183057 0.0202589 0.0202589), wk = 0.0033670 k( 282) = ( 0.5366113 0.0405179 0.0405179), wk = 0.0033670 k( 283) = ( 0.5549170 0.0607768 0.0607768), wk = 0.0033670 k( 284) = ( 0.5732226 0.0810357 0.0810357), wk = 0.0033670 k( 285) = ( 0.5915283 0.1012947 0.1012947), wk = 0.0033670 k( 286) = ( 0.6098340 0.1215536 0.1215536), wk = 0.0033670 k( 287) = ( 0.6281396 0.1418125 0.1418125), wk = 0.0033670 k( 288) = ( 0.6464453 0.1620715 0.1620715), wk = 0.0033670 k( 289) = ( 0.6647509 0.1823304 0.1823304), wk = 0.0033670 k( 290) = ( 0.6830566 0.2025893 0.2025893), wk = 0.0033670 k( 291) = ( 0.7013623 0.2228483 0.2228483), wk = 0.0033670 k( 292) = ( 0.7196679 0.2431072 0.2431072), wk = 0.0033670 k( 293) = ( 0.7379736 0.2633661 0.2633661), wk = 0.0033670 k( 294) = ( 0.7562793 0.2836251 0.2836251), wk = 0.0033670 k( 295) = ( 0.7745849 0.3038840 0.3038840), wk = 0.0033670 k( 296) = ( 0.7928906 0.3241429 0.3241429), wk = 0.0033670 k( 297) = ( 0.8111962 0.3444019 0.3444019), wk = 0.0033670 Dense grid: 110287 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 28199 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 210, 46) NL pseudopotentials 0.15 Mb ( 105, 96) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.02 Mb ( 3063) G-vector shells 0.02 Mb ( 2552) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 210, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.13 Mb ( 96, 2, 46) The potential is recalculated from file : ./AgBiSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.9 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.8 secs Computing kpt #: 33 total cpu time spent up to now is 18.3 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.3 secs Computing kpt #: 36 total cpu time spent up to now is 19.8 secs Computing kpt #: 37 total cpu time spent up to now is 20.2 secs Computing kpt #: 38 total cpu time spent up to now is 20.7 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.1 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.0 secs Computing kpt #: 44 total cpu time spent up to now is 23.4 secs Computing kpt #: 45 total cpu time spent up to now is 23.8 secs Computing kpt #: 46 total cpu time spent up to now is 24.3 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.7 secs Computing kpt #: 50 total cpu time spent up to now is 26.1 secs Computing kpt #: 51 total cpu time spent up to now is 26.6 secs Computing kpt #: 52 total cpu time spent up to now is 27.0 secs Computing kpt #: 53 total cpu time spent up to now is 27.5 secs Computing kpt #: 54 total cpu time spent up to now is 28.0 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 29.0 secs Computing kpt #: 57 total cpu time spent up to now is 29.6 secs Computing kpt #: 58 total cpu time spent up to now is 30.1 secs Computing kpt #: 59 total cpu time spent up to now is 30.7 secs Computing kpt #: 60 total cpu time spent up to now is 31.3 secs Computing kpt #: 61 total cpu time spent up to now is 31.9 secs Computing kpt #: 62 total cpu time spent up to now is 32.3 secs Computing kpt #: 63 total cpu time spent up to now is 32.8 secs Computing kpt #: 64 total cpu time spent up to now is 33.3 secs Computing kpt #: 65 total cpu time spent up to now is 33.7 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.6 secs Computing kpt #: 68 total cpu time spent up to now is 35.0 secs Computing kpt #: 69 total cpu time spent up to now is 35.5 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.3 secs Computing kpt #: 72 total cpu time spent up to now is 36.8 secs Computing kpt #: 73 total cpu time spent up to now is 37.2 secs Computing kpt #: 74 total cpu time spent up to now is 37.6 secs Computing kpt #: 75 total cpu time spent up to now is 38.1 secs Computing kpt #: 76 total cpu time spent up to now is 38.5 secs Computing kpt #: 77 total cpu time spent up to now is 38.9 secs Computing kpt #: 78 total cpu time spent up to now is 39.4 secs Computing kpt #: 79 total cpu time spent up to now is 39.8 secs Computing kpt #: 80 total cpu time spent up to now is 40.3 secs Computing kpt #: 81 total cpu time spent up to now is 40.7 secs Computing kpt #: 82 total cpu time spent up to now is 41.1 secs Computing kpt #: 83 total cpu time spent up to now is 41.6 secs Computing kpt #: 84 total cpu time spent up to now is 42.1 secs Computing kpt #: 85 total cpu time spent up to now is 42.5 secs Computing kpt #: 86 total cpu time spent up to now is 43.0 secs Computing kpt #: 87 total cpu time spent up to now is 43.4 secs Computing kpt #: 88 total cpu time spent up to now is 43.9 secs Computing kpt #: 89 total cpu time spent up to now is 44.4 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.3 secs Computing kpt #: 92 total cpu time spent up to now is 45.8 secs Computing kpt #: 93 total cpu time spent up to now is 46.2 secs Computing kpt #: 94 total cpu time spent up to now is 46.7 secs Computing kpt #: 95 total cpu time spent up to now is 47.2 secs Computing kpt #: 96 total cpu time spent up to now is 47.6 secs Computing kpt #: 97 total cpu time spent up to now is 48.1 secs Computing kpt #: 98 total cpu time spent up to now is 48.6 secs Computing kpt #: 99 total cpu time spent up to now is 49.0 secs Computing kpt #: 100 total cpu time spent up to now is 49.5 secs Computing kpt #: 101 total cpu time spent up to now is 50.0 secs Computing kpt #: 102 total cpu time spent up to now is 50.4 secs Computing kpt #: 103 total cpu time spent up to now is 50.9 secs Computing kpt #: 104 total cpu time spent up to now is 51.3 secs Computing kpt #: 105 total cpu time spent up to now is 51.8 secs Computing kpt #: 106 total cpu time spent up to now is 52.2 secs Computing kpt #: 107 total cpu time spent up to now is 52.7 secs Computing kpt #: 108 total cpu time spent up to now is 53.1 secs Computing kpt #: 109 total cpu time spent up to now is 53.6 secs Computing kpt #: 110 total cpu time spent up to now is 54.1 secs Computing kpt #: 111 total cpu time spent up to now is 54.6 secs Computing kpt #: 112 total cpu time spent up to now is 55.1 secs Computing kpt #: 113 total cpu time spent up to now is 55.7 secs Computing kpt #: 114 total cpu time spent up to now is 56.3 secs Computing kpt #: 115 total cpu time spent up to now is 56.8 secs Computing kpt #: 116 total cpu time spent up to now is 57.4 secs Computing kpt #: 117 total cpu time spent up to now is 58.0 secs Computing kpt #: 118 total cpu time spent up to now is 58.5 secs Computing kpt #: 119 total cpu time spent up to now is 59.0 secs Computing kpt #: 120 total cpu time spent up to now is 59.5 secs Computing kpt #: 121 total cpu time spent up to now is 60.0 secs Computing kpt #: 122 total cpu time spent up to now is 60.5 secs Computing kpt #: 123 total cpu time spent up to now is 60.9 secs Computing kpt #: 124 total cpu time spent up to now is 61.4 secs Computing kpt #: 125 total cpu time spent up to now is 61.8 secs Computing kpt #: 126 total cpu time spent up to now is 62.3 secs Computing kpt #: 127 total cpu time spent up to now is 62.7 secs Computing kpt #: 128 total cpu time spent up to now is 63.2 secs Computing kpt #: 129 total cpu time spent up to now is 63.6 secs Computing kpt #: 130 total cpu time spent up to now is 64.1 secs Computing kpt #: 131 total cpu time spent up to now is 64.6 secs Computing kpt #: 132 total cpu time spent up to now is 65.0 secs Computing kpt #: 133 total cpu time spent up to now is 65.5 secs Computing kpt #: 134 total cpu time spent up to now is 65.9 secs Computing kpt #: 135 total cpu time spent up to now is 66.4 secs Computing kpt #: 136 total cpu time spent up to now is 66.8 secs Computing kpt #: 137 total cpu time spent up to now is 67.3 secs Computing kpt #: 138 total cpu time spent up to now is 67.7 secs Computing kpt #: 139 total cpu time spent up to now is 68.2 secs Computing kpt #: 140 total cpu time spent up to now is 68.7 secs Computing kpt #: 141 total cpu time spent up to now is 69.2 secs Computing kpt #: 142 total cpu time spent up to now is 69.7 secs Computing kpt #: 143 total cpu time spent up to now is 70.2 secs Computing kpt #: 144 total cpu time spent up to now is 70.6 secs Computing kpt #: 145 total cpu time spent up to now is 71.1 secs Computing kpt #: 146 total cpu time spent up to now is 71.5 secs Computing kpt #: 147 total cpu time spent up to now is 71.9 secs Computing kpt #: 148 total cpu time spent up to now is 72.3 secs Computing kpt #: 149 total cpu time spent up to now is 72.7 secs Computing kpt #: 150 total cpu time spent up to now is 73.1 secs Computing kpt #: 151 total cpu time spent up to now is 73.6 secs Computing kpt #: 152 total cpu time spent up to now is 74.0 secs Computing kpt #: 153 total cpu time spent up to now is 74.4 secs Computing kpt #: 154 total cpu time spent up to now is 74.8 secs Computing kpt #: 155 total cpu time spent up to now is 75.2 secs Computing kpt #: 156 total cpu time spent up to now is 75.7 secs Computing kpt #: 157 total cpu time spent up to now is 76.1 secs Computing kpt #: 158 total cpu time spent up to now is 76.5 secs Computing kpt #: 159 total cpu time spent up to now is 77.0 secs Computing kpt #: 160 total cpu time spent up to now is 77.4 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.3 secs Computing kpt #: 165 total cpu time spent up to now is 79.8 secs Computing kpt #: 166 total cpu time spent up to now is 80.2 secs Computing kpt #: 167 total cpu time spent up to now is 80.8 secs Computing kpt #: 168 total cpu time spent up to now is 81.3 secs Computing kpt #: 169 total cpu time spent up to now is 81.8 secs Computing kpt #: 170 total cpu time spent up to now is 82.2 secs Computing kpt #: 171 total cpu time spent up to now is 82.7 secs Computing kpt #: 172 total cpu time spent up to now is 83.2 secs Computing kpt #: 173 total cpu time spent up to now is 83.6 secs Computing kpt #: 174 total cpu time spent up to now is 84.1 secs Computing kpt #: 175 total cpu time spent up to now is 84.5 secs Computing kpt #: 176 total cpu time spent up to now is 85.0 secs Computing kpt #: 177 total cpu time spent up to now is 85.5 secs Computing kpt #: 178 total cpu time spent up to now is 85.9 secs Computing kpt #: 179 total cpu time spent up to now is 86.4 secs Computing kpt #: 180 total cpu time spent up to now is 86.8 secs Computing kpt #: 181 total cpu time spent up to now is 87.2 secs Computing kpt #: 182 total cpu time spent up to now is 87.7 secs Computing kpt #: 183 total cpu time spent up to now is 88.1 secs Computing kpt #: 184 total cpu time spent up to now is 88.6 secs Computing kpt #: 185 total cpu time spent up to now is 89.0 secs Computing kpt #: 186 total cpu time spent up to now is 89.4 secs Computing kpt #: 187 total cpu time spent up to now is 89.9 secs Computing kpt #: 188 total cpu time spent up to now is 90.3 secs Computing kpt #: 189 total cpu time spent up to now is 90.8 secs Computing kpt #: 190 total cpu time spent up to now is 91.2 secs Computing kpt #: 191 total cpu time spent up to now is 91.6 secs Computing kpt #: 192 total cpu time spent up to now is 92.1 secs Computing kpt #: 193 total cpu time spent up to now is 92.5 secs Computing kpt #: 194 total cpu time spent up to now is 92.9 secs Computing kpt #: 195 total cpu time spent up to now is 93.4 secs Computing kpt #: 196 total cpu time spent up to now is 93.8 secs Computing kpt #: 197 total cpu time spent up to now is 94.2 secs Computing kpt #: 198 total cpu time spent up to now is 94.7 secs Computing kpt #: 199 total cpu time spent up to now is 95.1 secs Computing kpt #: 200 total cpu time spent up to now is 95.5 secs Computing kpt #: 201 total cpu time spent up to now is 96.0 secs Computing kpt #: 202 total cpu time spent up to now is 96.4 secs Computing kpt #: 203 total cpu time spent up to now is 96.8 secs Computing kpt #: 204 total cpu time spent up to now is 97.3 secs Computing kpt #: 205 total cpu time spent up to now is 97.7 secs Computing kpt #: 206 total cpu time spent up to now is 98.2 secs Computing kpt #: 207 total cpu time spent up to now is 98.6 secs Computing kpt #: 208 total cpu time spent up to now is 99.1 secs Computing kpt #: 209 total cpu time spent up to now is 99.5 secs Computing kpt #: 210 total cpu time spent up to now is 100.0 secs Computing kpt #: 211 total cpu time spent up to now is 100.5 secs Computing kpt #: 212 total cpu time spent up to now is 100.9 secs Computing kpt #: 213 total cpu time spent up to now is 101.4 secs Computing kpt #: 214 total cpu time spent up to now is 101.8 secs Computing kpt #: 215 total cpu time spent up to now is 102.3 secs Computing kpt #: 216 total cpu time spent up to now is 102.7 secs Computing kpt #: 217 total cpu time spent up to now is 103.2 secs Computing kpt #: 218 total cpu time spent up to now is 103.6 secs Computing kpt #: 219 total cpu time spent up to now is 104.1 secs Computing kpt #: 220 total cpu time spent up to now is 104.5 secs Computing kpt #: 221 total cpu time spent up to now is 105.0 secs Computing kpt #: 222 total cpu time spent up to now is 105.4 secs Computing kpt #: 223 total cpu time spent up to now is 105.9 secs Computing kpt #: 224 total cpu time spent up to now is 106.3 secs Computing kpt #: 225 total cpu time spent up to now is 106.8 secs Computing kpt #: 226 total cpu time spent up to now is 107.2 secs Computing kpt #: 227 total cpu time spent up to now is 107.7 secs Computing kpt #: 228 total cpu time spent up to now is 108.1 secs Computing kpt #: 229 total cpu time spent up to now is 108.5 secs Computing kpt #: 230 total cpu time spent up to now is 109.0 secs Computing kpt #: 231 total cpu time spent up to now is 109.4 secs Computing kpt #: 232 total cpu time spent up to now is 109.9 secs Computing kpt #: 233 total cpu time spent up to now is 110.4 secs Computing kpt #: 234 total cpu time spent up to now is 110.8 secs Computing kpt #: 235 total cpu time spent up to now is 111.3 secs Computing kpt #: 236 total cpu time spent up to now is 111.7 secs Computing kpt #: 237 total cpu time spent up to now is 112.2 secs Computing kpt #: 238 total cpu time spent up to now is 112.6 secs Computing kpt #: 239 total cpu time spent up to now is 113.1 secs Computing kpt #: 240 total cpu time spent up to now is 113.5 secs Computing kpt #: 241 total cpu time spent up to now is 114.0 secs Computing kpt #: 242 total cpu time spent up to now is 114.4 secs Computing kpt #: 243 total cpu time spent up to now is 114.9 secs Computing kpt #: 244 total cpu time spent up to now is 115.3 secs Computing kpt #: 245 total cpu time spent up to now is 115.8 secs Computing kpt #: 246 total cpu time spent up to now is 116.2 secs Computing kpt #: 247 total cpu time spent up to now is 116.7 secs Computing kpt #: 248 total cpu time spent up to now is 117.1 secs Computing kpt #: 249 total cpu time spent up to now is 117.6 secs Computing kpt #: 250 total cpu time spent up to now is 118.0 secs Computing kpt #: 251 total cpu time spent up to now is 118.5 secs Computing kpt #: 252 total cpu time spent up to now is 119.0 secs Computing kpt #: 253 total cpu time spent up to now is 119.4 secs Computing kpt #: 254 total cpu time spent up to now is 119.9 secs Computing kpt #: 255 total cpu time spent up to now is 120.4 secs Computing kpt #: 256 total cpu time spent up to now is 120.8 secs Computing kpt #: 257 total cpu time spent up to now is 121.3 secs Computing kpt #: 258 total cpu time spent up to now is 121.7 secs Computing kpt #: 259 total cpu time spent up to now is 122.1 secs Computing kpt #: 260 total cpu time spent up to now is 122.6 secs Computing kpt #: 261 total cpu time spent up to now is 123.0 secs Computing kpt #: 262 total cpu time spent up to now is 123.5 secs Computing kpt #: 263 total cpu time spent up to now is 123.9 secs Computing kpt #: 264 total cpu time spent up to now is 124.4 secs Computing kpt #: 265 total cpu time spent up to now is 124.9 secs Computing kpt #: 266 total cpu time spent up to now is 125.3 secs Computing kpt #: 267 total cpu time spent up to now is 125.8 secs Computing kpt #: 268 total cpu time spent up to now is 126.3 secs Computing kpt #: 269 total cpu time spent up to now is 126.8 secs Computing kpt #: 270 total cpu time spent up to now is 127.3 secs Computing kpt #: 271 total cpu time spent up to now is 127.8 secs Computing kpt #: 272 total cpu time spent up to now is 128.3 secs Computing kpt #: 273 total cpu time spent up to now is 128.7 secs Computing kpt #: 274 total cpu time spent up to now is 129.2 secs Computing kpt #: 275 total cpu time spent up to now is 129.7 secs Computing kpt #: 276 total cpu time spent up to now is 130.2 secs Computing kpt #: 277 total cpu time spent up to now is 130.7 secs Computing kpt #: 278 total cpu time spent up to now is 131.1 secs Computing kpt #: 279 total cpu time spent up to now is 131.6 secs Computing kpt #: 280 total cpu time spent up to now is 132.0 secs Computing kpt #: 281 total cpu time spent up to now is 132.5 secs Computing kpt #: 282 total cpu time spent up to now is 132.9 secs Computing kpt #: 283 total cpu time spent up to now is 133.4 secs Computing kpt #: 284 total cpu time spent up to now is 133.8 secs Computing kpt #: 285 total cpu time spent up to now is 134.3 secs Computing kpt #: 286 total cpu time spent up to now is 134.7 secs Computing kpt #: 287 total cpu time spent up to now is 135.2 secs Computing kpt #: 288 total cpu time spent up to now is 135.7 secs Computing kpt #: 289 total cpu time spent up to now is 136.1 secs Computing kpt #: 290 total cpu time spent up to now is 136.6 secs Computing kpt #: 291 total cpu time spent up to now is 137.1 secs Computing kpt #: 292 total cpu time spent up to now is 137.5 secs Computing kpt #: 293 total cpu time spent up to now is 138.0 secs Computing kpt #: 294 total cpu time spent up to now is 138.4 secs Computing kpt #: 295 total cpu time spent up to now is 138.9 secs Computing kpt #: 296 total cpu time spent up to now is 139.3 secs Computing kpt #: 297 total cpu time spent up to now is 139.8 secs ethr = 2.63E-08, avg # of iterations = 17.2 total cpu time spent up to now is 139.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3567 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4269 -5.4269 -3.9592 -3.9592 -1.2267 -1.2267 3.9962 3.9962 4.1107 4.1107 4.5173 4.5173 5.0602 5.0602 5.0639 5.0639 6.1613 6.1613 6.3236 6.3236 7.0709 7.0709 7.1930 7.1930 8.2503 8.2503 8.3717 8.3717 8.9427 8.9427 10.3154 10.3154 10.9105 10.9105 12.5669 12.5669 k = 0.0111-0.0162-0.0099 ( 3562 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4259 -5.4259 -3.9589 -3.9589 -1.2266 -1.2266 3.9959 3.9959 4.1102 4.1102 4.5164 4.5164 5.0593 5.0593 5.0632 5.0632 6.1493 6.1493 6.3299 6.3299 7.0747 7.0747 7.1988 7.1988 8.2409 8.2409 8.3562 8.3562 8.9554 8.9554 10.3207 10.3207 10.9069 10.9069 12.5801 12.5801 k = 0.0222-0.0323-0.0199 ( 3560 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9454 -12.9454 -5.4228 -5.4228 -3.9583 -3.9583 -1.2264 -1.2264 3.9948 3.9948 4.1089 4.1089 4.5138 4.5138 5.0555 5.0555 5.0620 5.0620 6.1182 6.1182 6.3447 6.3447 7.0835 7.0835 7.2177 7.2177 8.2082 8.2082 8.3194 8.3194 8.9884 8.9884 10.3362 10.3362 10.8969 10.8969 12.6186 12.6186 k = 0.0333-0.0485-0.0298 ( 3560 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9629 -12.9629 -12.9483 -12.9483 -12.9454 -12.9454 -5.4178 -5.4178 -3.9571 -3.9571 -1.2259 -1.2259 3.9930 3.9930 4.1069 4.1069 4.5095 4.5095 5.0481 5.0481 5.0610 5.0610 6.0761 6.0761 6.3618 6.3618 7.0927 7.0927 7.2523 7.2523 8.1444 8.1444 8.2799 8.2799 9.0321 9.0321 10.3606 10.3606 10.8834 10.8834 12.6799 12.6799 k = 0.0444-0.0647-0.0397 ( 3562 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9628 -12.9628 -12.9482 -12.9482 -12.9455 -12.9455 -5.4107 -5.4107 -3.9555 -3.9555 -1.2254 -1.2254 3.9901 3.9901 4.1042 4.1042 4.5036 4.5036 5.0377 5.0377 5.0598 5.0598 6.0281 6.0281 6.3785 6.3785 7.0992 7.0992 7.3026 7.3026 8.0531 8.0531 8.2435 8.2435 9.0781 9.0781 10.3917 10.3917 10.8704 10.8704 12.7601 12.7601 k = 0.0556-0.0808-0.0497 ( 3556 PWs) bands (ev): -15.9392 -15.9392 -15.9295 -15.9295 -12.9627 -12.9627 -12.9482 -12.9482 -12.9456 -12.9456 -5.4017 -5.4017 -3.9535 -3.9535 -1.2247 -1.2247 3.9861 3.9861 4.1013 4.1013 4.4961 4.4961 5.0244 5.0244 5.0584 5.0584 5.9775 5.9775 6.3939 6.3939 7.1026 7.1026 7.3655 7.3655 7.9453 7.9453 8.2066 8.2066 9.1217 9.1217 10.4265 10.4265 10.8624 10.8624 12.8551 12.8551 k = 0.0667-0.0970-0.0596 ( 3554 PWs) bands (ev): -15.9391 -15.9391 -15.9295 -15.9295 -12.9626 -12.9626 -12.9481 -12.9481 -12.9457 -12.9457 -5.3907 -5.3907 -3.9510 -3.9510 -1.2241 -1.2241 3.9808 3.9808 4.0982 4.0982 4.4872 4.4872 5.0085 5.0085 5.0569 5.0569 5.9264 5.9264 6.4076 6.4076 7.1034 7.1034 7.4366 7.4366 7.8285 7.8285 8.1672 8.1672 9.1600 9.1600 10.4618 10.4618 10.8642 10.8642 12.9602 12.9602 k = 0.0778-0.1132-0.0695 ( 3553 PWs) bands (ev): -15.9391 -15.9391 -15.9295 -15.9295 -12.9624 -12.9624 -12.9480 -12.9480 -12.9458 -12.9458 -5.3776 -5.3776 -3.9481 -3.9481 -1.2236 -1.2236 3.9739 3.9739 4.0954 4.0954 4.4769 4.4769 4.9902 4.9902 5.0551 5.0551 5.8763 5.8763 6.4196 6.4196 7.1017 7.1017 7.5094 7.5094 7.7104 7.7104 8.1250 8.1250 9.1920 9.1920 10.4944 10.4944 10.8792 10.8792 13.0708 13.0708 k = 0.0889-0.1293-0.0795 ( 3552 PWs) bands (ev): -15.9390 -15.9390 -15.9295 -15.9295 -12.9622 -12.9622 -12.9480 -12.9480 -12.9459 -12.9459 -5.3627 -5.3627 -3.9448 -3.9448 -1.2233 -1.2233 3.9655 3.9655 4.0929 4.0929 4.4652 4.4652 4.9699 4.9699 5.0532 5.0532 5.8282 5.8282 6.4295 6.4295 7.0968 7.0968 7.5386 7.5386 7.6372 7.6372 8.0809 8.0809 9.2173 9.2173 10.5229 10.5229 10.9090 10.9090 13.1817 13.1817 k = 0.1000-0.1455-0.0894 ( 3554 PWs) bands (ev): -15.9389 -15.9389 -15.9295 -15.9295 -12.9620 -12.9620 -12.9479 -12.9479 -12.9461 -12.9461 -5.3458 -5.3458 -3.9410 -3.9410 -1.2233 -1.2233 3.9555 3.9555 4.0910 4.0910 4.4521 4.4521 4.9479 4.9479 5.0510 5.0510 5.7827 5.7827 6.4367 6.4367 7.0867 7.0867 7.4418 7.4418 7.6920 7.6920 8.0368 8.0368 9.2366 9.2366 10.5478 10.5478 10.9521 10.9521 13.2873 13.2873 k = 0.1111-0.1617-0.0993 ( 3547 PWs) bands (ev): -15.9388 -15.9388 -15.9295 -15.9295 -12.9618 -12.9618 -12.9478 -12.9478 -12.9462 -12.9462 -5.3270 -5.3270 -3.9369 -3.9369 -1.2236 -1.2236 3.9444 3.9444 4.0897 4.0897 4.4375 4.4375 4.9247 4.9247 5.0488 5.0488 5.7403 5.7403 6.4402 6.4402 7.0658 7.0658 7.3348 7.3348 7.7608 7.7608 7.9970 7.9970 9.2513 9.2513 10.5709 10.5709 11.0054 11.0054 13.3816 13.3816 k = 0.1222-0.1778-0.1093 ( 3538 PWs) bands (ev): -15.9386 -15.9386 -15.9295 -15.9295 -12.9616 -12.9616 -12.9477 -12.9477 -12.9464 -12.9464 -5.3063 -5.3063 -3.9324 -3.9324 -1.2246 -1.2246 3.9323 3.9323 4.0889 4.0889 4.4212 4.4212 4.9008 4.9008 5.0466 5.0466 5.7011 5.7011 6.4381 6.4381 7.0229 7.0229 7.2507 7.2507 7.8088 7.8088 7.9760 7.9760 9.2633 9.2633 10.5940 10.5940 11.0650 11.0650 13.4578 13.4578 k = 0.1333-0.1940-0.1192 ( 3542 PWs) bands (ev): -15.9385 -15.9385 -15.9296 -15.9296 -12.9614 -12.9614 -12.9476 -12.9476 -12.9465 -12.9465 -5.2838 -5.2838 -3.9276 -3.9276 -1.2261 -1.2261 3.9196 3.9196 4.0884 4.0884 4.4032 4.4032 4.8765 4.8765 5.0442 5.0442 5.6652 5.6652 6.4273 6.4273 6.9519 6.9519 7.2012 7.2012 7.8086 7.8086 7.9973 7.9973 9.2749 9.2749 10.6181 10.6181 11.1277 11.1277 13.5102 13.5102 k = 0.1444-0.2102-0.1291 ( 3544 PWs) bands (ev): -15.9384 -15.9384 -15.9296 -15.9296 -12.9612 -12.9612 -12.9476 -12.9476 -12.9465 -12.9465 -5.2595 -5.2595 -3.9224 -3.9224 -1.2285 -1.2285 3.9068 3.9068 4.0881 4.0881 4.3833 4.3833 4.8526 4.8526 5.0418 5.0418 5.6325 5.6325 6.4033 6.4033 6.8684 6.8684 7.1768 7.1768 7.7728 7.7728 8.0459 8.0459 9.2888 9.2888 10.6434 10.6434 11.1907 11.1907 13.5357 13.5357 k = 0.1556-0.2263-0.1391 ( 3542 PWs) bands (ev): -15.9382 -15.9382 -15.9296 -15.9296 -12.9609 -12.9609 -12.9477 -12.9477 -12.9465 -12.9465 -5.2334 -5.2334 -3.9169 -3.9169 -1.2318 -1.2318 3.8944 3.8944 4.0878 4.0878 4.3615 4.3615 4.8293 4.8293 5.0394 5.0394 5.6028 5.6028 6.3599 6.3599 6.7929 6.7929 7.1639 7.1639 7.7248 7.7248 8.0965 8.0965 9.3074 9.3074 10.6693 10.6693 11.2516 11.2516 13.5355 13.5355 k = 0.1667-0.2425-0.1490 ( 3540 PWs) bands (ev): -15.9381 -15.9381 -15.9296 -15.9296 -12.9608 -12.9608 -12.9478 -12.9478 -12.9463 -12.9463 -5.2056 -5.2056 -3.9112 -3.9112 -1.2362 -1.2362 3.8827 3.8827 4.0872 4.0872 4.3378 4.3378 4.8068 4.8068 5.0369 5.0369 5.5758 5.5758 6.2939 6.2939 6.7363 6.7363 7.1558 7.1558 7.6724 7.6724 8.1393 8.1393 9.3329 9.3329 10.6950 10.6950 11.3088 11.3088 13.5155 13.5155 k = 0.1778-0.2587-0.1590 ( 3540 PWs) bands (ev): -15.9379 -15.9379 -15.9296 -15.9296 -12.9606 -12.9606 -12.9479 -12.9479 -12.9462 -12.9462 -5.1761 -5.1761 -3.9053 -3.9053 -1.2417 -1.2417 3.8722 3.8722 4.0860 4.0860 4.3125 4.3125 4.7854 4.7854 5.0344 5.0344 5.5512 5.5512 6.2085 6.2085 6.6992 6.6992 7.1495 7.1495 7.6184 7.6184 8.1706 8.1706 9.3664 9.3664 10.7194 10.7194 11.3606 11.3606 13.4837 13.4837 k = 0.1889-0.2748-0.1689 ( 3544 PWs) bands (ev): -15.9378 -15.9378 -15.9296 -15.9296 -12.9604 -12.9604 -12.9480 -12.9480 -12.9459 -12.9459 -5.1450 -5.1450 -3.8992 -3.8992 -1.2485 -1.2485 3.8632 3.8632 4.0839 4.0839 4.2860 4.2860 4.7647 4.7647 5.0317 5.0317 5.5286 5.5286 6.1115 6.1115 6.6759 6.6759 7.1439 7.1439 7.5639 7.5639 8.1892 8.1892 9.4081 9.4081 10.7415 10.7415 11.4061 11.4061 13.4479 13.4479 k = 0.2000-0.2910-0.1788 ( 3544 PWs) bands (ev): -15.9376 -15.9376 -15.9296 -15.9296 -12.9603 -12.9603 -12.9482 -12.9482 -12.9457 -12.9457 -5.1124 -5.1124 -3.8930 -3.8930 -1.2566 -1.2566 3.8558 3.8558 4.0804 4.0804 4.2590 4.2590 4.7445 4.7445 5.0288 5.0288 5.5075 5.5075 6.0106 6.0106 6.6610 6.6610 7.1380 7.1380 7.5095 7.5095 8.1952 8.1952 9.4566 9.4566 10.7602 10.7602 11.4450 11.4450 13.4147 13.4147 k = 0.2111-0.3072-0.1888 ( 3542 PWs) bands (ev): -15.9375 -15.9375 -15.9296 -15.9296 -12.9602 -12.9602 -12.9484 -12.9484 -12.9454 -12.9454 -5.0782 -5.0782 -3.8867 -3.8867 -1.2662 -1.2662 3.8501 3.8501 4.0748 4.0748 4.2327 4.2327 4.7241 4.7241 5.0257 5.0257 5.4874 5.4874 5.9115 5.9115 6.6506 6.6506 7.1313 7.1313 7.4556 7.4556 8.1896 8.1896 9.5097 9.5097 10.7748 10.7748 11.4774 11.4774 13.3886 13.3886 k = 0.2222-0.3233-0.1987 ( 3535 PWs) bands (ev): -15.9373 -15.9373 -15.9296 -15.9296 -12.9601 -12.9601 -12.9485 -12.9485 -12.9451 -12.9451 -5.0426 -5.0426 -3.8804 -3.8804 -1.2773 -1.2773 3.8459 3.8459 4.0662 4.0662 4.2083 4.2083 4.7027 4.7027 5.0224 5.0224 5.4675 5.4675 5.8186 5.8186 6.6425 6.6425 7.1234 7.1234 7.4027 7.4027 8.1739 8.1739 9.5642 9.5642 10.7851 10.7851 11.5044 11.5044 13.3721 13.3721 k = 0.2333-0.3395-0.2086 ( 3538 PWs) bands (ev): -15.9371 -15.9371 -15.9296 -15.9296 -12.9600 -12.9600 -12.9487 -12.9487 -12.9447 -12.9447 -5.0056 -5.0056 -3.8742 -3.8742 -1.2899 -1.2899 3.8425 3.8425 4.0539 4.0539 4.1875 4.1875 4.6794 4.6794 5.0188 5.0188 5.4469 5.4469 5.7356 5.7356 6.6353 6.6353 7.1136 7.1136 7.3513 7.3513 8.1497 8.1497 9.6165 9.6165 10.7916 10.7916 11.5277 11.5277 13.3659 13.3659 k = 0.2444-0.3557-0.2186 ( 3540 PWs) bands (ev): -15.9370 -15.9370 -15.9296 -15.9296 -12.9600 -12.9600 -12.9488 -12.9488 -12.9443 -12.9443 -4.9674 -4.9674 -3.8681 -3.8681 -1.3040 -1.3040 3.8391 3.8391 4.0379 4.0379 4.1712 4.1712 4.6534 4.6534 5.0151 5.0151 5.4244 5.4244 5.6656 5.6656 6.6283 6.6283 7.1014 7.1014 7.3019 7.3019 8.1184 8.1184 9.6625 9.6625 10.7961 10.7961 11.5490 11.5490 13.3689 13.3689 k = 0.2556-0.3718-0.2285 ( 3541 PWs) bands (ev): -15.9368 -15.9368 -15.9296 -15.9296 -12.9600 -12.9600 -12.9489 -12.9489 -12.9439 -12.9439 -4.9280 -4.9280 -3.8622 -3.8622 -1.3197 -1.3197 3.8339 3.8339 4.0200 4.0200 4.1596 4.1596 4.6239 4.6239 5.0116 5.0116 5.3994 5.3994 5.6107 5.6107 6.6211 6.6211 7.0860 7.0860 7.2553 7.2553 8.0812 8.0812 9.6983 9.6983 10.8012 10.8012 11.5699 11.5699 13.3791 13.3791 k = 0.2667-0.3880-0.2384 ( 3539 PWs) bands (ev): -15.9367 -15.9367 -15.9296 -15.9296 -12.9601 -12.9601 -12.9490 -12.9490 -12.9435 -12.9435 -4.8875 -4.8875 -3.8567 -3.8567 -1.3368 -1.3368 3.8245 3.8245 4.0028 4.0028 4.1519 4.1519 4.5911 4.5911 5.0086 5.0086 5.3726 5.3726 5.5709 5.5709 6.6134 6.6134 7.0663 7.0663 7.2127 7.2127 8.0392 8.0392 9.7204 9.7204 10.8101 10.8101 11.5917 11.5917 13.3930 13.3930 k = 0.2778-0.4042-0.2484 ( 3537 PWs) bands (ev): -15.9365 -15.9365 -15.9296 -15.9296 -12.9601 -12.9601 -12.9491 -12.9491 -12.9431 -12.9431 -4.8460 -4.8460 -3.8516 -3.8516 -1.3554 -1.3554 3.8083 3.8083 3.9890 3.9890 4.1470 4.1470 4.5560 4.5560 5.0067 5.0067 5.3462 5.3462 5.5438 5.5438 6.6049 6.6049 7.0415 7.0415 7.1749 7.1749 7.9930 7.9930 9.7263 9.7263 10.8258 10.8258 11.6150 11.6150 13.4069 13.4069 k = 0.2889-0.4203-0.2583 ( 3535 PWs) bands (ev): -15.9364 -15.9364 -15.9296 -15.9296 -12.9602 -12.9602 -12.9492 -12.9492 -12.9427 -12.9427 -4.8036 -4.8036 -3.8469 -3.8469 -1.3752 -1.3752 3.7841 3.7841 3.9796 3.9796 4.1443 4.1443 4.5208 4.5208 5.0064 5.0064 5.3226 5.3226 5.5260 5.5260 6.5956 6.5956 7.0111 7.0111 7.1423 7.1423 7.9432 7.9432 9.7153 9.7153 10.8497 10.8497 11.6402 11.6402 13.4174 13.4174 k = 0.3000-0.4365-0.2682 ( 3535 PWs) bands (ev): -15.9362 -15.9362 -15.9296 -15.9296 -12.9604 -12.9604 -12.9492 -12.9492 -12.9423 -12.9423 -4.7604 -4.7604 -3.8429 -3.8429 -1.3961 -1.3961 3.7525 3.7525 3.9729 3.9729 4.1428 4.1428 4.4887 4.4887 5.0080 5.0080 5.3030 5.3030 5.5146 5.5146 6.5853 6.5853 6.9760 6.9760 7.1142 7.1142 7.8903 7.8903 9.6888 9.6888 10.8821 10.8821 11.6672 11.6672 13.4219 13.4219 k = 0.3111-0.4527-0.2782 ( 3532 PWs) bands (ev): -15.9361 -15.9361 -15.9296 -15.9296 -12.9605 -12.9605 -12.9493 -12.9493 -12.9418 -12.9418 -4.7166 -4.7166 -3.8397 -3.8397 -1.4180 -1.4180 3.7149 3.7149 3.9664 3.9664 4.1413 4.1413 4.4639 4.4639 5.0117 5.0117 5.2877 5.2877 5.5078 5.5078 6.5739 6.5739 6.9379 6.9379 7.0890 7.0890 7.8347 7.8347 9.6493 9.6493 10.9215 10.9215 11.6959 11.6959 13.4196 13.4196 k = 0.3222-0.4688-0.2881 ( 3529 PWs) bands (ev): -15.9360 -15.9360 -15.9296 -15.9296 -12.9607 -12.9607 -12.9493 -12.9493 -12.9414 -12.9414 -4.6723 -4.6723 -3.8373 -3.8373 -1.4408 -1.4408 3.6730 3.6730 3.9576 3.9576 4.1384 4.1384 4.4505 4.4505 5.0174 5.0174 5.2761 5.2761 5.5044 5.5044 6.5613 6.5613 6.8982 6.8982 7.0653 7.0653 7.7767 7.7767 9.6002 9.6002 10.9659 10.9659 11.7260 11.7260 13.4114 13.4114 k = 0.3333-0.4850-0.2980 ( 3527 PWs) bands (ev): -15.9358 -15.9358 -15.9295 -15.9295 -12.9609 -12.9609 -12.9493 -12.9493 -12.9410 -12.9410 -4.6276 -4.6276 -3.8360 -3.8360 -1.4641 -1.4641 3.6278 3.6278 3.9451 3.9451 4.1331 4.1331 4.4513 4.4513 5.0251 5.0251 5.2676 5.2676 5.5034 5.5034 6.5474 6.5474 6.8579 6.8579 7.0424 7.0424 7.7168 7.7168 9.5448 9.5448 11.0130 11.0130 11.7571 11.7571 13.3984 13.3984 k = 0.3444-0.5012-0.3080 ( 3529 PWs) bands (ev): -15.9357 -15.9357 -15.9295 -15.9295 -12.9610 -12.9610 -12.9493 -12.9493 -12.9406 -12.9406 -4.5826 -4.5826 -3.8357 -3.8357 -1.4878 -1.4878 3.5805 3.5805 3.9286 3.9286 4.1254 4.1254 4.4665 4.4665 5.0346 5.0346 5.2615 5.2615 5.5044 5.5044 6.5322 6.5322 6.8174 6.8174 7.0196 7.0196 7.6555 7.6555 9.4862 9.4862 11.0608 11.0608 11.7890 11.7890 13.3824 13.3824 k = 0.3556-0.5173-0.3179 ( 3525 PWs) bands (ev): -15.9356 -15.9356 -15.9295 -15.9295 -12.9612 -12.9612 -12.9493 -12.9493 -12.9401 -12.9401 -4.5376 -4.5376 -3.8368 -3.8368 -1.5115 -1.5115 3.5320 3.5320 3.9088 3.9088 4.1165 4.1165 4.4945 4.4945 5.0456 5.0456 5.2575 5.2575 5.5071 5.5071 6.5155 6.5155 6.7768 6.7768 6.9970 6.9970 7.5934 7.5934 9.4268 9.4268 11.1077 11.1077 11.8212 11.8212 13.3645 13.3645 k = 0.3667-0.5335-0.3278 ( 3525 PWs) bands (ev): -15.9355 -15.9355 -15.9295 -15.9295 -12.9614 -12.9614 -12.9493 -12.9493 -12.9398 -12.9398 -4.4927 -4.4927 -3.8393 -3.8393 -1.5351 -1.5351 3.4831 3.4831 3.8868 3.8868 4.1075 4.1075 4.5327 4.5327 5.0579 5.0579 5.2550 5.2550 5.5110 5.5110 6.4976 6.4976 6.7359 6.7359 6.9746 6.9746 7.5314 7.5314 9.3684 9.3684 11.1525 11.1525 11.8535 11.8535 13.3457 13.3457 k = 0.3778-0.5497-0.3378 ( 3526 PWs) bands (ev): -15.9354 -15.9354 -15.9294 -15.9294 -12.9616 -12.9616 -12.9493 -12.9493 -12.9394 -12.9394 -4.4481 -4.4481 -3.8434 -3.8434 -1.5583 -1.5583 3.4348 3.4348 3.8640 3.8640 4.0990 4.0990 4.5785 4.5785 5.0713 5.0713 5.2539 5.2539 5.5158 5.5158 6.4783 6.4783 6.6940 6.6940 6.9528 6.9528 7.4704 7.4704 9.3127 9.3127 11.1944 11.1944 11.8854 11.8854 13.3269 13.3269 k = 0.3889-0.5658-0.3477 ( 3510 PWs) bands (ev): -15.9353 -15.9353 -15.9294 -15.9294 -12.9618 -12.9618 -12.9493 -12.9493 -12.9390 -12.9390 -4.4039 -4.4039 -3.8491 -3.8491 -1.5807 -1.5807 3.3878 3.3878 3.8414 3.8414 4.0914 4.0914 4.6298 4.6298 5.0857 5.0857 5.2541 5.2541 5.5213 5.5213 6.4579 6.4579 6.6508 6.6508 6.9321 6.9321 7.4115 7.4115 9.2605 9.2605 11.2328 11.2328 11.9165 11.9165 13.3085 13.3085 k = 0.4000-0.5820-0.3576 ( 3516 PWs) bands (ev): -15.9353 -15.9353 -15.9294 -15.9294 -12.9619 -12.9619 -12.9493 -12.9493 -12.9387 -12.9387 -4.3603 -4.3603 -3.8567 -3.8567 -1.6021 -1.6021 3.3431 3.3431 3.8199 3.8199 4.0845 4.0845 4.6845 4.6845 5.1008 5.1008 5.2555 5.2555 5.5272 5.5272 6.4365 6.4365 6.6057 6.6057 6.9128 6.9128 7.3558 7.3558 9.2127 9.2127 11.2674 11.2674 11.9463 11.9463 13.2910 13.2910 k = 0.4111-0.5982-0.3676 ( 3514 PWs) bands (ev): -15.9352 -15.9352 -15.9294 -15.9294 -12.9621 -12.9621 -12.9493 -12.9493 -12.9384 -12.9384 -4.3175 -4.3175 -3.8663 -3.8663 -1.6222 -1.6222 3.3013 3.3013 3.8000 3.8000 4.0785 4.0785 4.7406 4.7406 5.1166 5.1166 5.2586 5.2586 5.5332 5.5332 6.4139 6.4139 6.5588 6.5588 6.8957 6.8957 7.3042 7.3042 9.1697 9.1697 11.2981 11.2981 11.9743 11.9743 13.2746 13.2746 k = 0.4222-0.6143-0.3775 ( 3517 PWs) bands (ev): -15.9351 -15.9351 -15.9294 -15.9294 -12.9622 -12.9622 -12.9493 -12.9493 -12.9381 -12.9381 -4.2757 -4.2757 -3.8779 -3.8779 -1.6406 -1.6406 3.2630 3.2630 3.7820 3.7820 4.0733 4.0733 4.7960 4.7960 5.1328 5.1328 5.2637 5.2637 5.5391 5.5391 6.3897 6.3897 6.5114 6.5114 6.8808 6.8808 7.2577 7.2577 9.1317 9.1317 11.3248 11.3248 12.0002 12.0002 13.2596 13.2596 k = 0.4333-0.6305-0.3874 ( 3515 PWs) bands (ev): -15.9351 -15.9351 -15.9293 -15.9293 -12.9624 -12.9624 -12.9493 -12.9493 -12.9379 -12.9379 -4.2352 -4.2352 -3.8917 -3.8917 -1.6573 -1.6573 3.2288 3.2288 3.7663 3.7663 4.0688 4.0688 4.8483 4.8483 5.1489 5.1489 5.2717 5.2717 5.5446 5.5446 6.3620 6.3620 6.4663 6.4663 6.8685 6.8685 7.2169 7.2169 9.0989 9.0989 11.3477 11.3477 12.0236 12.0236 13.2462 13.2462 k = 0.4444-0.6467-0.3974 ( 3509 PWs) bands (ev): -15.9351 -15.9351 -15.9293 -15.9293 -12.9625 -12.9625 -12.9493 -12.9493 -12.9377 -12.9377 -4.1960 -4.1960 -3.9077 -3.9077 -1.6718 -1.6718 3.1992 3.1992 3.7528 3.7528 4.0650 4.0650 4.8951 4.8951 5.1642 5.1642 5.2838 5.2838 5.5494 5.5494 6.3286 6.3286 6.4282 6.4282 6.8586 6.8586 7.1820 7.1820 9.0713 9.0713 11.3668 11.3668 12.0440 12.0440 13.2346 13.2346 k = 0.4556-0.6628-0.4073 ( 3513 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9626 -12.9626 -12.9493 -12.9493 -12.9375 -12.9375 -4.1584 -4.1584 -3.9260 -3.9260 -1.6840 -1.6840 3.1745 3.1745 3.7417 3.7417 4.0619 4.0619 4.9342 4.9342 5.1773 5.1773 5.3005 5.3005 5.5534 5.5534 6.2891 6.2891 6.4001 6.4001 6.8511 6.8511 7.1534 7.1534 9.0488 9.0488 11.3822 11.3822 12.0612 12.0612 13.2248 13.2248 k = 0.4667-0.6790-0.4172 ( 3519 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.1228 -4.1228 -3.9465 -3.9465 -1.6937 -1.6937 3.1550 3.1550 3.7331 3.7331 4.0595 4.0595 4.9644 4.9644 5.1874 5.1874 5.3208 5.3208 5.5563 5.5563 6.2483 6.2483 6.3810 6.3810 6.8457 6.8457 7.1311 7.1311 9.0315 9.0315 11.3940 11.3940 12.0748 12.0748 13.2171 13.2171 k = 0.4778-0.6952-0.4272 ( 3519 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0893 -4.0893 -3.9689 -3.9689 -1.7008 -1.7008 3.1409 3.1409 3.7269 3.7269 4.0578 4.0578 4.9853 4.9853 5.1942 5.1942 5.3414 5.3414 5.5581 5.5581 6.2128 6.2128 6.3686 6.3686 6.8421 6.8421 7.1151 7.1151 9.0191 9.0191 11.4024 11.4024 12.0847 12.0847 13.2116 13.2116 k = 0.4889-0.7113-0.4371 ( 3523 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0592 -4.0592 -3.9924 -3.9924 -1.7050 -1.7050 3.1324 3.1324 3.7232 3.7232 4.0567 4.0567 4.9975 4.9975 5.1981 5.1981 5.3569 5.3569 5.5590 5.5590 6.1887 6.1887 6.3616 6.3616 6.8400 6.8400 7.1055 7.1055 9.0118 9.0118 11.4074 11.4074 12.0907 12.0907 13.2082 13.2082 k = 0.5000-0.7275-0.4470 ( 3518 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0414 -4.0414 -4.0080 -4.0080 -1.7065 -1.7065 3.1295 3.1295 3.7220 3.7220 4.0564 4.0564 5.0014 5.0014 5.1993 5.1993 5.3627 5.3627 5.5592 5.5592 6.1801 6.1801 6.3593 6.3593 6.8394 6.8394 7.1023 7.1023 9.0093 9.0093 11.4091 11.4091 12.0927 12.0927 13.2071 13.2071 k = 0.5000-0.7275-0.4470 ( 3518 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0414 -4.0414 -4.0080 -4.0080 -1.7065 -1.7065 3.1295 3.1295 3.7220 3.7220 4.0564 4.0564 5.0014 5.0014 5.1993 5.1993 5.3627 5.3627 5.5592 5.5592 6.1801 6.1801 6.3593 6.3593 6.8394 6.8394 7.1023 7.1023 9.0093 9.0093 11.4091 11.4091 12.0927 12.0927 13.2071 13.2071 k = 0.5000-0.7160-0.4658 ( 3522 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0409 -4.0409 -4.0076 -4.0076 -1.7070 -1.7070 3.1306 3.1306 3.7226 3.7226 4.0573 4.0573 5.0002 5.0002 5.1955 5.1955 5.3675 5.3675 5.5587 5.5587 6.1681 6.1681 6.3593 6.3593 6.7965 6.7965 7.1529 7.1529 9.0175 9.0175 11.4045 11.4045 12.0866 12.0866 13.2119 13.2119 k = 0.5000-0.7045-0.4845 ( 3520 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0394 -4.0394 -4.0065 -4.0065 -1.7086 -1.7086 3.1340 3.1340 3.7248 3.7248 4.0599 4.0599 4.9964 4.9964 5.1852 5.1852 5.3804 5.3804 5.5570 5.5570 6.1356 6.1356 6.3530 6.3530 6.7180 6.7180 7.2575 7.2575 9.0420 9.0420 11.3910 11.3910 12.0687 12.0687 13.2263 13.2263 k = 0.5000-0.6930-0.5032 ( 3518 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9626 -12.9626 -12.9493 -12.9493 -12.9374 -12.9374 -4.0369 -4.0369 -4.0047 -4.0047 -1.7112 -1.7112 3.1396 3.1396 3.7282 3.7282 4.0644 4.0644 4.9901 4.9901 5.1709 5.1709 5.3986 5.3986 5.5544 5.5544 6.0891 6.0891 6.3265 6.3265 6.6504 6.6504 7.3783 7.3783 9.0816 9.0816 11.3688 11.3688 12.0398 12.0398 13.2498 13.2498 k = 0.5000-0.6815-0.5219 ( 3516 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9624 -12.9624 -12.9493 -12.9493 -12.9375 -12.9375 -4.0335 -4.0335 -4.0022 -4.0022 -1.7148 -1.7148 3.1474 3.1474 3.7330 3.7330 4.0706 4.0706 4.9812 4.9812 5.1545 5.1545 5.4192 5.4192 5.5510 5.5510 6.0337 6.0337 6.2703 6.2703 6.6105 6.6105 7.5047 7.5047 9.1349 9.1349 11.3387 11.3387 12.0010 12.0010 13.2817 13.2817 k = 0.5000-0.6700-0.5406 ( 3516 PWs) bands (ev): -15.9348 -15.9348 -15.9293 -15.9293 -12.9622 -12.9622 -12.9493 -12.9493 -12.9377 -12.9377 -4.0291 -4.0291 -3.9991 -3.9991 -1.7194 -1.7194 3.1574 3.1574 3.7391 3.7391 4.0785 4.0785 4.9695 4.9695 5.1371 5.1371 5.4386 5.4386 5.5481 5.5481 5.9726 5.9726 6.1906 6.1906 6.5950 6.5950 7.6328 7.6328 9.2000 9.2000 11.3016 11.3016 11.9537 11.9537 13.3217 13.3217 k = 0.5000-0.6585-0.5593 ( 3516 PWs) bands (ev): -15.9348 -15.9348 -15.9294 -15.9294 -12.9620 -12.9620 -12.9493 -12.9493 -12.9379 -12.9379 -4.0239 -4.0239 -3.9952 -3.9952 -1.7250 -1.7250 3.1695 3.1695 3.7463 3.7463 4.0881 4.0881 4.9553 4.9553 5.1190 5.1190 5.4516 5.4516 5.5491 5.5491 5.9076 5.9076 6.1017 6.1017 6.5929 6.5929 7.7608 7.7608 9.2746 9.2746 11.2590 11.2590 11.8990 11.8990 13.3690 13.3690 k = 0.5000-0.6470-0.5780 ( 3516 PWs) bands (ev): -15.9347 -15.9347 -15.9294 -15.9294 -12.9618 -12.9618 -12.9493 -12.9493 -12.9381 -12.9381 -4.0178 -4.0178 -3.9908 -3.9908 -1.7316 -1.7316 3.1837 3.1837 3.7546 3.7546 4.0994 4.0994 4.9384 4.9384 5.1000 5.1000 5.4513 5.4513 5.5586 5.5586 5.8390 5.8390 6.0157 6.0157 6.5966 6.5966 7.8871 7.8871 9.3562 9.3562 11.2126 11.2126 11.8382 11.8382 13.4234 13.4234 k = 0.5000-0.6355-0.5967 ( 3518 PWs) bands (ev): -15.9347 -15.9347 -15.9294 -15.9294 -12.9615 -12.9615 -12.9493 -12.9493 -12.9383 -12.9383 -4.0109 -4.0109 -3.9857 -3.9857 -1.7391 -1.7391 3.1999 3.1999 3.7638 3.7638 4.1124 4.1124 4.9189 4.9189 5.0795 5.0795 5.4361 5.4361 5.5765 5.5765 5.7656 5.7656 5.9422 5.9422 6.6025 6.6025 8.0103 8.0103 9.4420 9.4420 11.1649 11.1649 11.7723 11.7723 13.4845 13.4845 k = 0.5000-0.6241-0.6154 ( 3514 PWs) bands (ev): -15.9346 -15.9346 -15.9295 -15.9295 -12.9611 -12.9611 -12.9494 -12.9494 -12.9386 -12.9386 -4.0034 -4.0034 -3.9802 -3.9802 -1.7474 -1.7474 3.2180 3.2180 3.7737 3.7737 4.1269 4.1269 4.8969 4.8969 5.0566 5.0566 5.4092 5.4092 5.5965 5.5965 5.6888 5.6888 5.8876 5.8876 6.6091 6.6091 8.1293 8.1293 9.5288 9.5288 11.1187 11.1187 11.7022 11.7022 13.5522 13.5522 k = 0.5000-0.6126-0.6341 ( 3512 PWs) bands (ev): -15.9345 -15.9345 -15.9295 -15.9295 -12.9608 -12.9608 -12.9494 -12.9494 -12.9389 -12.9389 -3.9952 -3.9952 -3.9741 -3.9741 -1.7565 -1.7565 3.2379 3.2379 3.7841 3.7841 4.1429 4.1429 4.8722 4.8722 5.0301 5.0301 5.3745 5.3745 5.5854 5.5854 5.6402 5.6402 5.8532 5.8532 6.6157 6.6157 8.2425 8.2425 9.6132 9.6132 11.0776 11.0776 11.6289 11.6289 13.6263 13.6263 k = 0.5000-0.6011-0.6528 ( 3510 PWs) bands (ev): -15.9344 -15.9344 -15.9296 -15.9296 -12.9604 -12.9604 -12.9494 -12.9494 -12.9392 -12.9392 -3.9865 -3.9865 -3.9676 -3.9676 -1.7663 -1.7663 3.2595 3.2595 3.7946 3.7946 4.1603 4.1603 4.8446 4.8446 4.9990 4.9990 5.3351 5.3351 5.5133 5.5133 5.6517 5.6517 5.8374 5.8374 6.6220 6.6220 8.3482 8.3482 9.6913 9.6913 11.0459 11.0459 11.5533 11.5533 13.7065 13.7065 k = 0.5000-0.5896-0.6715 ( 3510 PWs) bands (ev): -15.9344 -15.9344 -15.9296 -15.9296 -12.9600 -12.9600 -12.9495 -12.9495 -12.9395 -12.9395 -3.9773 -3.9773 -3.9607 -3.9607 -1.7768 -1.7768 3.2827 3.2827 3.8049 3.8049 4.1789 4.1789 4.8139 4.8139 4.9626 4.9626 5.2930 5.2930 5.4409 5.4409 5.6655 5.6655 5.8382 5.8382 6.6279 6.6279 8.4447 8.4447 9.7592 9.7592 11.0279 11.0279 11.4765 11.4765 13.7924 13.7924 k = 0.5000-0.5781-0.6902 ( 3504 PWs) bands (ev): -15.9343 -15.9343 -15.9297 -15.9297 -12.9596 -12.9596 -12.9496 -12.9496 -12.9398 -12.9398 -3.9680 -3.9680 -3.9534 -3.9534 -1.7878 -1.7878 3.3073 3.3073 3.8145 3.8145 4.1986 4.1986 4.7801 4.7801 4.9207 4.9207 5.2488 5.2488 5.3793 5.3793 5.6745 5.6745 5.8529 5.8529 6.6334 6.6334 8.5297 8.5297 9.8136 9.8136 11.0275 11.0275 11.3999 11.3999 13.8820 13.8820 k = 0.5000-0.5666-0.7089 ( 3512 PWs) bands (ev): -15.9342 -15.9342 -15.9297 -15.9297 -12.9592 -12.9592 -12.9497 -12.9497 -12.9401 -12.9401 -3.9585 -3.9585 -3.9457 -3.9457 -1.7993 -1.7993 3.3331 3.3331 3.8229 3.8229 4.2190 4.2190 4.7435 4.7435 4.8736 4.8736 5.2032 5.2032 5.3318 5.3318 5.6794 5.6794 5.8778 5.8778 6.6385 6.6385 8.6007 8.6007 9.8528 9.8528 11.0465 11.0465 11.3257 11.3257 13.9661 13.9661 k = 0.5000-0.5551-0.7276 ( 3518 PWs) bands (ev): -15.9341 -15.9341 -15.9298 -15.9298 -12.9587 -12.9587 -12.9498 -12.9498 -12.9404 -12.9404 -3.9491 -3.9491 -3.9378 -3.9378 -1.8111 -1.8111 3.3598 3.3598 3.8292 3.8292 4.2397 4.2397 4.7051 4.7051 4.8223 4.8223 5.1591 5.1591 5.2974 5.2974 5.6821 5.6821 5.9094 5.9094 6.6432 6.6432 8.6554 8.6554 9.8773 9.8773 11.0816 11.0816 11.2591 11.2591 13.9935 13.9935 k = 0.5000-0.5436-0.7463 ( 3516 PWs) bands (ev): -15.9340 -15.9340 -15.9298 -15.9298 -12.9583 -12.9583 -12.9499 -12.9499 -12.9406 -12.9406 -3.9400 -3.9400 -3.9296 -3.9296 -1.8231 -1.8231 3.3872 3.3872 3.8329 3.8329 4.2601 4.2601 4.6664 4.6664 4.7685 4.7685 5.1201 5.1201 5.2725 5.2725 5.6841 5.6841 5.9452 5.9452 6.6475 6.6475 8.6913 8.6913 9.8896 9.8896 11.1095 11.1095 11.2227 11.2227 13.9561 13.9561 k = 0.5000-0.5321-0.7650 ( 3516 PWs) bands (ev): -15.9339 -15.9339 -15.9299 -15.9299 -12.9578 -12.9578 -12.9501 -12.9501 -12.9409 -12.9409 -3.9313 -3.9313 -3.9212 -3.9212 -1.8351 -1.8351 3.4149 3.4149 3.8333 3.8333 4.2792 4.2792 4.6289 4.6289 4.7150 4.7150 5.0882 5.0882 5.2540 5.2540 5.6859 5.6859 5.9838 5.9838 6.6514 6.6514 8.7070 8.7070 9.8929 9.8929 11.0829 11.0829 11.2622 11.2622 13.9091 13.9091 k = 0.5000-0.5206-0.7837 ( 3516 PWs) bands (ev): -15.9338 -15.9338 -15.9299 -15.9299 -12.9574 -12.9574 -12.9502 -12.9502 -12.9411 -12.9411 -3.9232 -3.9232 -3.9128 -3.9128 -1.8470 -1.8470 3.4424 3.4424 3.8298 3.8298 4.2953 4.2953 4.5931 4.5931 4.6663 4.6663 5.0639 5.0639 5.2400 5.2400 5.6880 5.6880 6.0242 6.0242 6.6550 6.6550 8.7020 8.7020 9.8895 9.8895 11.0360 11.0360 11.3414 11.3414 13.8640 13.8640 k = 0.5000-0.5091-0.8025 ( 3524 PWs) bands (ev): -15.9338 -15.9338 -15.9299 -15.9299 -12.9569 -12.9569 -12.9504 -12.9504 -12.9413 -12.9413 -3.9157 -3.9157 -3.9046 -3.9046 -1.8586 -1.8586 3.4689 3.4689 3.8224 3.8224 4.3056 4.3056 4.5587 4.5587 4.6284 4.6284 5.0468 5.0468 5.2292 5.2292 5.6906 5.6906 6.0661 6.0661 6.6581 6.6581 8.6771 8.6771 9.8798 9.8798 10.9943 10.9943 11.4329 11.4329 13.8231 13.8231 k = 0.5000-0.4976-0.8212 ( 3524 PWs) bands (ev): -15.9337 -15.9337 -15.9300 -15.9300 -12.9565 -12.9565 -12.9507 -12.9507 -12.9415 -12.9415 -3.9087 -3.9087 -3.8969 -3.8969 -1.8696 -1.8696 3.4934 3.4934 3.8118 3.8118 4.3061 4.3061 4.5280 4.5280 4.6053 4.6053 5.0362 5.0362 5.2209 5.2209 5.6938 5.6938 6.1089 6.1089 6.6607 6.6607 8.6344 8.6344 9.8629 9.8629 10.9640 10.9640 11.5291 11.5291 13.7873 13.7873 k = 0.5000-0.4861-0.8399 ( 3528 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9561 -12.9561 -12.9509 -12.9509 -12.9416 -12.9416 -3.9024 -3.9024 -3.8900 -3.8900 -1.8800 -1.8800 3.5143 3.5143 3.7996 3.7996 4.2925 4.2925 4.5067 4.5067 4.5964 4.5964 5.0318 5.0318 5.2147 5.2147 5.6976 5.6976 6.1525 6.1525 6.6629 6.6629 8.5767 8.5767 9.8376 9.8376 10.9473 10.9473 11.6259 11.6259 13.7572 13.7572 k = 0.5000-0.4746-0.8586 ( 3522 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9557 -12.9557 -12.9511 -12.9511 -12.9417 -12.9417 -3.8968 -3.8968 -3.8841 -3.8841 -1.8894 -1.8894 3.5296 3.5296 3.7887 3.7887 4.2651 4.2651 4.4978 4.4978 4.5987 4.5987 5.0332 5.0332 5.2104 5.2104 5.7022 5.7022 6.1966 6.1966 6.6645 6.6645 8.5069 8.5069 9.8031 9.8031 10.9445 10.9445 11.7204 11.7204 13.7335 13.7335 k = 0.5000-0.4631-0.8773 ( 3524 PWs) bands (ev): -15.9336 -15.9336 -15.9301 -15.9301 -12.9554 -12.9554 -12.9513 -12.9513 -12.9418 -12.9418 -3.8920 -3.8920 -3.8794 -3.8794 -1.8976 -1.8976 3.5366 3.5366 3.7824 3.7824 4.2287 4.2287 4.4985 4.4985 4.6095 4.6095 5.0402 5.0402 5.2080 5.2080 5.7076 5.7076 6.2410 6.2410 6.6655 6.6655 8.4275 8.4275 9.7596 9.7596 10.9546 10.9546 11.8102 11.8102 13.7165 13.7165 k = 0.5000-0.4516-0.8960 ( 3518 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9552 -12.9552 -12.9515 -12.9515 -12.9418 -12.9418 -3.8881 -3.8881 -3.8760 -3.8760 -1.9044 -1.9044 3.5338 3.5338 3.7832 3.7832 4.1889 4.1889 4.5049 4.5049 4.6261 4.6261 5.0527 5.0527 5.2076 5.2076 5.7141 5.7141 6.2856 6.2856 6.6659 6.6659 8.3409 8.3409 9.7085 9.7085 10.9755 10.9755 11.8932 11.8932 13.7069 13.7069 k = 0.5000-0.4401-0.9147 ( 3506 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9551 -12.9551 -12.9516 -12.9516 -12.9419 -12.9419 -3.8856 -3.8856 -3.8739 -3.8739 -1.9096 -1.9096 3.5216 3.5216 3.7915 3.7915 4.1494 4.1494 4.5145 4.5145 4.6465 4.6465 5.0702 5.0702 5.2098 5.2098 5.7217 5.7217 6.3301 6.3301 6.6655 6.6655 8.2492 8.2492 9.6516 9.6516 11.0045 11.0045 11.9677 11.9677 13.7049 13.7049 k = 0.5000-0.4287-0.9334 ( 3506 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9551 -12.9551 -12.9516 -12.9516 -12.9419 -12.9419 -3.8848 -3.8848 -3.8730 -3.8730 -1.9130 -1.9130 3.5028 3.5028 3.8052 3.8052 4.1125 4.1125 4.5255 4.5255 4.6689 4.6689 5.0922 5.0922 5.2151 5.2151 5.7306 5.7306 6.3743 6.3743 6.6644 6.6644 8.1540 8.1540 9.5909 9.5909 11.0393 11.0393 12.0327 12.0327 13.7106 13.7106 k = 0.5000-0.4172-0.9521 ( 3510 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9552 -12.9552 -12.9515 -12.9515 -12.9419 -12.9419 -3.8862 -3.8862 -3.8730 -3.8730 -1.9144 -1.9144 3.4802 3.4802 3.8215 3.8215 4.0801 4.0801 4.5369 4.5369 4.6921 4.6921 5.1170 5.1170 5.2251 5.2251 5.7412 5.7412 6.4179 6.4179 6.6627 6.6627 8.0564 8.0564 9.5283 9.5283 11.0776 11.0776 12.0871 12.0871 13.7238 13.7238 k = 0.5000-0.4057-0.9708 ( 3508 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9554 -12.9554 -12.9514 -12.9514 -12.9418 -12.9418 -3.8903 -3.8903 -3.8736 -3.8736 -1.9135 -1.9135 3.4564 3.4564 3.8375 3.8375 4.0537 4.0537 4.5483 4.5483 4.7152 4.7152 5.1423 5.1423 5.2421 5.2421 5.7537 5.7537 6.4604 6.4604 6.6604 6.6604 7.9578 7.9578 9.4655 9.4655 11.1176 11.1176 12.1308 12.1308 13.7437 13.7437 k = 0.5000-0.3942-0.9895 ( 3512 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9556 -12.9556 -12.9512 -12.9512 -12.9418 -12.9418 -3.8973 -3.8973 -3.8750 -3.8750 -1.9102 -1.9102 3.4332 3.4332 3.8506 3.8506 4.0352 4.0352 4.5591 4.5591 4.7372 4.7372 5.1648 5.1648 5.2689 5.2689 5.7686 5.7686 6.5008 6.5008 6.6583 6.6583 7.8591 7.8591 9.4039 9.4039 11.1578 11.1578 12.1639 12.1639 13.7691 13.7691 k = 0.8112-0.2975-0.7987 ( 3512 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9556 -12.9556 -12.9512 -12.9512 -12.9418 -12.9418 -3.8973 -3.8973 -3.8750 -3.8750 -1.9102 -1.9102 3.4332 3.4332 3.8506 3.8506 4.0352 4.0352 4.5591 4.5591 4.7372 4.7372 5.1648 5.1648 5.2689 5.2689 5.7686 5.7686 6.5008 6.5008 6.6583 6.6583 7.8591 7.8591 9.4039 9.4039 11.1578 11.1578 12.1639 12.1639 13.7691 13.7691 k = 0.8046-0.2879-0.7797 ( 3514 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9559 -12.9559 -12.9510 -12.9510 -12.9417 -12.9417 -3.9073 -3.9073 -3.8773 -3.8773 -1.9044 -1.9044 3.4116 3.4116 3.8587 3.8587 4.0259 4.0259 4.5695 4.5695 4.7580 4.7580 5.1837 5.1837 5.3070 5.3070 5.7866 5.7866 6.5377 6.5377 6.6580 6.6580 7.7594 7.7594 9.3437 9.3437 11.1976 11.1976 12.1874 12.1874 13.7989 13.7989 k = 0.7980-0.2783-0.7606 ( 3516 PWs) bands (ev): -15.9337 -15.9337 -15.9300 -15.9300 -12.9562 -12.9562 -12.9507 -12.9507 -12.9417 -12.9417 -3.9200 -3.9200 -3.8807 -3.8807 -1.8959 -1.8959 3.3928 3.3928 3.8607 3.8607 4.0266 4.0266 4.5790 4.5790 4.7765 4.7765 5.1994 5.1994 5.3544 5.3544 5.8079 5.8079 6.5659 6.5659 6.6636 6.6636 7.6615 7.6615 9.2871 9.2871 11.2353 11.2353 12.2017 12.2017 13.8308 13.8308 k = 0.7913-0.2686-0.7416 ( 3526 PWs) bands (ev): -15.9338 -15.9338 -15.9300 -15.9300 -12.9565 -12.9565 -12.9505 -12.9505 -12.9417 -12.9417 -3.9355 -3.9355 -3.8854 -3.8854 -1.8846 -1.8846 3.3775 3.3775 3.8583 3.8583 4.0352 4.0352 4.5877 4.5877 4.7925 4.7925 5.2133 5.2133 5.4089 5.4089 5.8329 5.8329 6.5792 6.5792 6.6806 6.6806 7.5662 7.5662 9.2349 9.2349 11.2703 11.2703 12.2079 12.2079 13.8624 13.8624 k = 0.7847-0.2590-0.7226 ( 3526 PWs) bands (ev): -15.9338 -15.9338 -15.9300 -15.9300 -12.9569 -12.9569 -12.9503 -12.9503 -12.9416 -12.9416 -3.9537 -3.9537 -3.8914 -3.8914 -1.8707 -1.8707 3.3663 3.3663 3.8544 3.8544 4.0486 4.0486 4.5958 4.5958 4.8057 4.8057 5.2259 5.2259 5.4690 5.4690 5.8622 5.8622 6.5785 6.5785 6.7077 6.7077 7.4748 7.4748 9.1880 9.1880 11.3018 11.3018 12.2073 12.2073 13.8916 13.8916 k = 0.7781-0.2494-0.7036 ( 3520 PWs) bands (ev): -15.9339 -15.9339 -15.9299 -15.9299 -12.9572 -12.9572 -12.9501 -12.9501 -12.9416 -12.9416 -3.9745 -3.9745 -3.8988 -3.8988 -1.8540 -1.8540 3.3594 3.3594 3.8510 3.8510 4.0644 4.0644 4.6033 4.6033 4.8162 4.8162 5.2373 5.2373 5.5337 5.5337 5.8958 5.8958 6.5694 6.5694 6.7382 6.7382 7.3886 7.3886 9.1468 9.1468 11.3296 11.3296 12.2010 12.2010 13.9166 13.9166 k = 0.7715-0.2397-0.6846 ( 3524 PWs) bands (ev): -15.9340 -15.9340 -15.9299 -15.9299 -12.9575 -12.9575 -12.9499 -12.9499 -12.9416 -12.9416 -3.9977 -3.9977 -3.9076 -3.9076 -1.8347 -1.8347 3.3573 3.3573 3.8496 3.8496 4.0810 4.0810 4.6102 4.6102 4.8241 4.8241 5.2470 5.2470 5.6020 5.6020 5.9338 5.9338 6.5554 6.5554 6.7672 6.7672 7.3097 7.3097 9.1118 9.1118 11.3531 11.3531 12.1902 12.1902 13.9358 13.9358 k = 0.7648-0.2301-0.6655 ( 3522 PWs) bands (ev): -15.9341 -15.9341 -15.9299 -15.9299 -12.9577 -12.9577 -12.9498 -12.9498 -12.9416 -12.9416 -4.0233 -4.0233 -3.9177 -3.9177 -1.8128 -1.8128 3.3599 3.3599 3.8510 3.8510 4.0974 4.0974 4.6165 4.6165 4.8297 4.8297 5.2549 5.2549 5.6734 5.6734 5.9756 5.9756 6.5383 6.5383 6.7910 6.7910 7.2410 7.2410 9.0834 9.0834 11.3722 11.3722 12.1758 12.1758 13.9483 13.9483 k = 0.7582-0.2205-0.6465 ( 3518 PWs) bands (ev): -15.9342 -15.9342 -15.9298 -15.9298 -12.9580 -12.9580 -12.9496 -12.9496 -12.9416 -12.9416 -4.0511 -4.0511 -3.9293 -3.9293 -1.7885 -1.7885 3.3675 3.3675 3.8556 3.8556 4.1131 4.1131 4.6222 4.6222 4.8333 4.8333 5.2608 5.2608 5.7472 5.7472 6.0206 6.0206 6.5193 6.5193 6.8055 6.8055 7.1868 7.1868 9.0619 9.0619 11.3867 11.3867 12.1584 12.1584 13.9535 13.9535 k = 0.7516-0.2108-0.6275 ( 3522 PWs) bands (ev): -15.9343 -15.9343 -15.9298 -15.9298 -12.9582 -12.9582 -12.9495 -12.9495 -12.9417 -12.9417 -4.0808 -4.0808 -3.9422 -3.9422 -1.7620 -1.7620 3.3801 3.3801 3.8635 3.8635 4.1276 4.1276 4.6272 4.6272 4.8350 4.8350 5.2644 5.2644 5.8227 5.8227 6.0668 6.0668 6.5000 6.5000 6.8066 6.8066 7.1515 7.1515 9.0474 9.0474 11.3966 11.3966 12.1387 12.1387 13.9516 13.9516 k = 0.7450-0.2012-0.6085 ( 3518 PWs) bands (ev): -15.9345 -15.9345 -15.9298 -15.9298 -12.9584 -12.9584 -12.9493 -12.9493 -12.9417 -12.9417 -4.1124 -4.1124 -3.9564 -3.9564 -1.7333 -1.7333 3.3977 3.3977 3.8749 3.8749 4.1409 4.1409 4.6315 4.6315 4.8351 4.8351 5.2660 5.2660 5.8989 5.8989 6.1116 6.1116 6.4832 6.4832 6.7934 6.7934 7.1372 7.1372 9.0398 9.0398 11.4019 11.4019 12.1170 12.1170 13.9430 13.9430 k = 0.7384-0.1916-0.5894 ( 3520 PWs) bands (ev): -15.9346 -15.9346 -15.9298 -15.9298 -12.9586 -12.9586 -12.9492 -12.9492 -12.9418 -12.9418 -4.1455 -4.1455 -3.9719 -3.9719 -1.7027 -1.7027 3.4203 3.4203 3.8897 3.8897 4.1529 4.1529 4.6349 4.6349 4.8339 4.8339 5.2657 5.2657 5.9736 5.9736 6.1506 6.1506 6.4738 6.4738 6.7701 6.7701 7.1407 7.1407 9.0392 9.0392 11.4027 11.4027 12.0937 12.0937 13.9284 13.9284 k = 0.7317-0.1819-0.5704 ( 3520 PWs) bands (ev): -15.9347 -15.9347 -15.9298 -15.9298 -12.9588 -12.9588 -12.9491 -12.9491 -12.9419 -12.9419 -4.1800 -4.1800 -3.9885 -3.9885 -1.6704 -1.6704 3.4478 3.4478 3.9076 3.9076 4.1636 4.1636 4.6371 4.6371 4.8314 4.8314 5.2639 5.2639 6.0421 6.0421 6.1803 6.1803 6.4788 6.4788 6.7438 6.7438 7.1559 7.1559 9.0454 9.0454 11.3992 11.3992 12.0688 12.0688 13.9087 13.9087 k = 0.7251-0.1723-0.5514 ( 3522 PWs) bands (ev): -15.9349 -15.9349 -15.9297 -15.9297 -12.9589 -12.9589 -12.9490 -12.9490 -12.9421 -12.9421 -4.2156 -4.2156 -4.0063 -4.0063 -1.6365 -1.6365 3.4800 3.4800 3.9284 3.9284 4.1730 4.1730 4.6382 4.6382 4.8280 4.8280 5.2608 5.2608 6.0902 6.0902 6.2081 6.2081 6.5023 6.5023 6.7217 6.7217 7.1780 7.1780 9.0581 9.0581 11.3915 11.3915 12.0425 12.0425 13.8848 13.8848 k = 0.7185-0.1627-0.5324 ( 3528 PWs) bands (ev): -15.9350 -15.9350 -15.9297 -15.9297 -12.9590 -12.9590 -12.9489 -12.9489 -12.9423 -12.9423 -4.2523 -4.2523 -4.0252 -4.0252 -1.6013 -1.6013 3.5167 3.5167 3.9520 3.9520 4.1814 4.1814 4.6377 4.6377 4.8237 4.8237 5.2569 5.2569 6.0984 6.0984 6.2530 6.2530 6.5401 6.5401 6.7116 6.7116 7.2036 7.2036 9.0772 9.0772 11.3800 11.3800 12.0146 12.0146 13.8574 13.8574 k = 0.7119-0.1530-0.5133 ( 3528 PWs) bands (ev): -15.9352 -15.9352 -15.9297 -15.9297 -12.9591 -12.9591 -12.9489 -12.9489 -12.9424 -12.9424 -4.2896 -4.2896 -4.0450 -4.0450 -1.5649 -1.5649 3.5577 3.5577 3.9777 3.9777 4.1890 4.1890 4.6356 4.6356 4.8188 4.8188 5.2527 5.2527 6.0768 6.0768 6.3073 6.3073 6.5816 6.5816 6.7234 6.7234 7.2309 7.2309 9.1021 9.1021 11.3650 11.3650 11.9851 11.9851 13.8272 13.8272 k = 0.7053-0.1434-0.4943 ( 3528 PWs) bands (ev): -15.9353 -15.9353 -15.9297 -15.9297 -12.9592 -12.9592 -12.9488 -12.9488 -12.9427 -12.9427 -4.3275 -4.3275 -4.0657 -4.0657 -1.5276 -1.5276 3.6027 3.6027 4.0051 4.0051 4.1962 4.1962 4.6317 4.6317 4.8135 4.8135 5.2484 5.2484 6.0422 6.0422 6.3541 6.3541 6.6205 6.6205 6.7645 6.7645 7.2590 7.2590 9.1326 9.1326 11.3468 11.3468 11.9538 11.9538 13.7944 13.7944 k = 0.6986-0.1338-0.4753 ( 3524 PWs) bands (ev): -15.9355 -15.9355 -15.9297 -15.9297 -12.9593 -12.9593 -12.9487 -12.9487 -12.9429 -12.9429 -4.3658 -4.3658 -4.0871 -4.0871 -1.4894 -1.4894 3.6511 3.6511 4.0335 4.0335 4.2035 4.2035 4.6259 4.6259 4.8080 4.8080 5.2446 5.2446 6.0025 6.0025 6.3842 6.3842 6.6643 6.6643 6.8292 6.8292 7.2871 7.2871 9.1680 9.1680 11.3258 11.3258 11.9203 11.9203 13.7595 13.7595 k = 0.6920-0.1241-0.4563 ( 3530 PWs) bands (ev): -15.9356 -15.9356 -15.9297 -15.9297 -12.9593 -12.9593 -12.9487 -12.9487 -12.9431 -12.9431 -4.4043 -4.4043 -4.1092 -4.1092 -1.4507 -1.4507 3.7024 3.7024 4.0617 4.0617 4.2115 4.2115 4.6181 4.6181 4.8028 4.8028 5.2415 5.2415 5.9617 5.9617 6.3973 6.3973 6.7195 6.7195 6.9072 6.9072 7.3150 7.3150 9.2079 9.2079 11.3023 11.3023 11.8844 11.8844 13.7222 13.7222 k = 0.6854-0.1145-0.4373 ( 3530 PWs) bands (ev): -15.9358 -15.9358 -15.9297 -15.9297 -12.9594 -12.9594 -12.9486 -12.9486 -12.9434 -12.9434 -4.4428 -4.4428 -4.1318 -4.1318 -1.4116 -1.4116 3.7557 3.7557 4.0886 4.0886 4.2213 4.2213 4.6086 4.6086 4.7981 4.7981 5.2395 5.2395 5.9224 5.9224 6.3990 6.3990 6.7838 6.7838 6.9927 6.9927 7.3428 7.3428 9.2515 9.2515 11.2768 11.2768 11.8459 11.8459 13.6826 13.6826 k = 0.6788-0.1049-0.4182 ( 3530 PWs) bands (ev): -15.9359 -15.9359 -15.9297 -15.9297 -12.9594 -12.9594 -12.9486 -12.9486 -12.9437 -12.9437 -4.4811 -4.4811 -4.1548 -4.1548 -1.3723 -1.3723 3.8099 3.8099 4.1129 4.1129 4.2338 4.2338 4.5978 4.5978 4.7943 4.7943 5.2389 5.2389 5.8861 5.8861 6.3949 6.3949 6.8529 6.8529 7.0825 7.0825 7.3710 7.3710 9.2980 9.2980 11.2496 11.2496 11.8045 11.8045 13.6405 13.6405 k = 0.6722-0.0952-0.3992 ( 3534 PWs) bands (ev): -15.9361 -15.9361 -15.9297 -15.9297 -12.9594 -12.9594 -12.9485 -12.9485 -12.9439 -12.9439 -4.5191 -4.5191 -4.1782 -4.1782 -1.3328 -1.3328 3.8634 3.8634 4.1339 4.1339 4.2496 4.2496 4.5866 4.5866 4.7920 4.7920 5.2398 5.2398 5.8543 5.8543 6.3882 6.3882 6.9236 6.9236 7.1736 7.1736 7.4010 7.4010 9.3466 9.3466 11.2213 11.2213 11.7599 11.7599 13.5957 13.5957 k = 0.6655-0.0856-0.3802 ( 3538 PWs) bands (ev): -15.9363 -15.9363 -15.9297 -15.9297 -12.9595 -12.9595 -12.9485 -12.9485 -12.9442 -12.9442 -4.5567 -4.5567 -4.2017 -4.2017 -1.2935 -1.2935 3.9138 3.9138 4.1519 4.1519 4.2679 4.2679 4.5762 4.5762 4.7915 4.7915 5.2426 5.2426 5.8279 5.8279 6.3809 6.3809 6.9942 6.9942 7.2612 7.2612 7.4364 7.4364 9.3963 9.3963 11.1924 11.1924 11.7119 11.7119 13.5483 13.5483 k = 0.6589-0.0760-0.3612 ( 3540 PWs) bands (ev): -15.9365 -15.9365 -15.9297 -15.9297 -12.9595 -12.9595 -12.9484 -12.9484 -12.9445 -12.9445 -4.5937 -4.5937 -4.2253 -4.2253 -1.2544 -1.2544 3.9582 3.9582 4.1684 4.1684 4.2874 4.2874 4.5684 4.5684 4.7934 4.7934 5.2476 5.2476 5.8079 5.8079 6.3741 6.3741 7.0635 7.0635 7.3359 7.3359 7.4858 7.4858 9.4457 9.4457 11.1634 11.1634 11.6604 11.6604 13.4987 13.4987 k = 0.6523-0.0663-0.3421 ( 3538 PWs) bands (ev): -15.9366 -15.9366 -15.9297 -15.9297 -12.9595 -12.9595 -12.9483 -12.9483 -12.9448 -12.9448 -4.6300 -4.6300 -4.2489 -4.2489 -1.2157 -1.2157 3.9937 3.9937 4.1841 4.1841 4.3061 4.3061 4.5658 4.5658 4.7984 4.7984 5.2551 5.2551 5.7949 5.7949 6.3684 6.3684 7.1309 7.1309 7.3883 7.3883 7.5580 7.5580 9.4935 9.4935 11.1349 11.1349 11.6053 11.6053 13.4476 13.4476 k = 0.6457-0.0567-0.3231 ( 3540 PWs) bands (ev): -15.9368 -15.9368 -15.9297 -15.9297 -12.9596 -12.9596 -12.9482 -12.9482 -12.9451 -12.9451 -4.6654 -4.6654 -4.2723 -4.2723 -1.1775 -1.1775 4.0188 4.0188 4.1979 4.1979 4.3221 4.3221 4.5714 4.5714 4.8068 4.8068 5.2655 5.2655 5.7896 5.7896 6.3644 6.3644 7.1957 7.1957 7.4224 7.4224 7.6483 7.6483 9.5379 9.5379 11.1076 11.1076 11.5468 11.5468 13.3961 13.3961 k = 0.6390-0.0471-0.3041 ( 3538 PWs) bands (ev): -15.9370 -15.9370 -15.9296 -15.9296 -12.9597 -12.9597 -12.9481 -12.9481 -12.9454 -12.9454 -4.6999 -4.6999 -4.2954 -4.2954 -1.1400 -1.1400 4.0344 4.0344 4.2067 4.2067 4.3337 4.3337 4.5885 4.5885 4.8186 4.8186 5.2794 5.2794 5.7924 5.7924 6.3623 6.3623 7.2577 7.2577 7.4471 7.4471 7.7471 7.7471 9.5773 9.5773 11.0821 11.0821 11.4854 11.4854 13.3459 13.3459 k = 0.6324-0.0374-0.2851 ( 3532 PWs) bands (ev): -15.9372 -15.9372 -15.9296 -15.9296 -12.9598 -12.9598 -12.9480 -12.9480 -12.9456 -12.9456 -4.7334 -4.7334 -4.3183 -4.3183 -1.1033 -1.1033 4.0425 4.0425 4.2082 4.2082 4.3391 4.3391 4.6179 4.6179 4.8337 4.8337 5.2976 5.2976 5.8035 5.8035 6.3627 6.3627 7.3164 7.3164 7.4673 7.4673 7.8491 7.8491 9.6095 9.6095 11.0586 11.0586 11.4222 11.4222 13.2988 13.2988 k = 0.6258-0.0278-0.2660 ( 3528 PWs) bands (ev): -15.9373 -15.9373 -15.9296 -15.9296 -12.9599 -12.9599 -12.9479 -12.9479 -12.9459 -12.9459 -4.7658 -4.7658 -4.3406 -4.3406 -1.0675 -1.0675 4.0455 4.0455 4.2023 4.2023 4.3377 4.3377 4.6573 4.6573 4.8513 4.8513 5.3208 5.3208 5.8230 5.8230 6.3660 6.3660 7.3712 7.3712 7.4853 7.4853 7.9516 7.9516 9.6327 9.6327 11.0367 11.0367 11.3589 11.3589 13.2567 13.2567 k = 0.6192-0.0182-0.2470 ( 3518 PWs) bands (ev): -15.9375 -15.9375 -15.9296 -15.9296 -12.9601 -12.9601 -12.9478 -12.9478 -12.9461 -12.9461 -4.7969 -4.7969 -4.3624 -4.3624 -1.0328 -1.0328 4.0449 4.0449 4.1905 4.1905 4.3303 4.3303 4.7025 4.7025 4.8706 4.8706 5.3500 5.3500 5.8505 5.8505 6.3728 6.3728 7.4209 7.4209 7.5031 7.5031 8.0530 8.0530 9.6450 9.6450 11.0143 11.0143 11.2990 11.2990 13.2215 13.2215 k = 0.6126-0.0085-0.2280 ( 3522 PWs) bands (ev): -15.9377 -15.9377 -15.9296 -15.9296 -12.9602 -12.9602 -12.9476 -12.9476 -12.9464 -12.9464 -4.8268 -4.8268 -4.3835 -4.3835 -0.9992 -0.9992 4.0418 4.0418 4.1746 4.1746 4.3182 4.3182 4.7487 4.7487 4.8907 4.8907 5.3861 5.3861 5.8855 5.8855 6.3838 6.3838 7.4626 7.4626 7.5238 7.5238 8.1516 8.1516 9.6450 9.6450 10.9870 10.9870 11.2485 11.2485 13.1950 13.1950 k = 0.6059 0.0011-0.2090 ( 3522 PWs) bands (ev): -15.9378 -15.9378 -15.9296 -15.9296 -12.9604 -12.9604 -12.9475 -12.9475 -12.9466 -12.9466 -4.8553 -4.8553 -4.4039 -4.4039 -0.9669 -0.9669 4.0368 4.0368 4.1564 4.1564 4.3028 4.3028 4.7925 4.7925 4.9110 4.9110 5.4296 5.4296 5.9274 5.9274 6.3999 6.3999 7.4917 7.4917 7.5523 7.5523 8.2460 8.2460 9.6320 9.6320 10.9487 10.9487 11.2143 11.2143 13.1789 13.1789 k = 0.5993 0.0107-0.1899 ( 3526 PWs) bands (ev): -15.9380 -15.9380 -15.9296 -15.9296 -12.9606 -12.9606 -12.9474 -12.9474 -12.9467 -12.9467 -4.8824 -4.8824 -4.4235 -4.4235 -0.9360 -0.9360 4.0302 4.0302 4.1370 4.1370 4.2851 4.2851 4.8314 4.8314 4.9308 4.9308 5.4801 5.4801 5.9754 5.9754 6.4220 6.4220 7.5096 7.5096 7.5874 7.5874 8.3346 8.3346 9.6059 9.6059 10.8970 10.8970 11.1998 11.1998 13.1740 13.1740 k = 0.5927 0.0204-0.1709 ( 3526 PWs) bands (ev): -15.9382 -15.9382 -15.9296 -15.9296 -12.9608 -12.9608 -12.9473 -12.9473 -12.9468 -12.9468 -4.9080 -4.9080 -4.4422 -4.4422 -0.9066 -0.9066 4.0223 4.0223 4.1175 4.1175 4.2660 4.2660 4.8643 4.8643 4.9496 4.9496 5.5363 5.5363 6.0288 6.0288 6.4513 6.4513 7.5216 7.5216 7.6238 7.6238 8.4155 8.4155 9.5673 9.5673 10.8352 10.8352 11.2023 11.2023 13.1808 13.1808 k = 0.5861 0.0300-0.1519 ( 3526 PWs) bands (ev): -15.9383 -15.9383 -15.9296 -15.9296 -12.9610 -12.9610 -12.9473 -12.9473 -12.9468 -12.9468 -4.9321 -4.9321 -4.4599 -4.4599 -0.8787 -0.8787 4.0132 4.0132 4.0986 4.0986 4.2464 4.2464 4.8915 4.8915 4.9670 4.9670 5.5957 5.5957 6.0873 6.0873 6.4886 6.4886 7.5307 7.5307 7.6585 7.6585 8.4867 8.4867 9.5176 9.5176 10.7692 10.7692 11.2166 11.2166 13.1978 13.1978 k = 0.5795 0.0396-0.1329 ( 3526 PWs) bands (ev): -15.9385 -15.9385 -15.9296 -15.9296 -12.9613 -12.9613 -12.9474 -12.9474 -12.9466 -12.9466 -4.9545 -4.9545 -4.4766 -4.4766 -0.8525 -0.8525 4.0029 4.0029 4.0810 4.0810 4.2269 4.2269 4.9134 4.9134 4.9828 4.9828 5.6551 5.6551 6.1512 6.1512 6.5345 6.5345 7.5381 7.5381 7.6905 7.6905 8.5460 8.5460 9.4584 9.4584 10.7041 10.7041 11.2386 11.2386 13.2187 13.2187 k = 0.5728 0.0493-0.1139 ( 3526 PWs) bands (ev): -15.9386 -15.9386 -15.9296 -15.9296 -12.9615 -12.9615 -12.9476 -12.9476 -12.9465 -12.9465 -4.9753 -4.9753 -4.4922 -4.4922 -0.8281 -0.8281 3.9914 3.9914 4.0650 4.0650 4.2078 4.2078 4.9312 4.9312 4.9968 4.9968 5.7114 5.7114 6.2213 6.2213 6.5886 6.5886 7.5441 7.5441 7.7195 7.7195 8.5910 8.5910 9.3916 9.3916 10.6437 10.6437 11.2655 11.2655 13.2235 13.2235 k = 0.5662 0.0589-0.0948 ( 3532 PWs) bands (ev): -15.9387 -15.9387 -15.9295 -15.9295 -12.9617 -12.9617 -12.9477 -12.9477 -12.9463 -12.9463 -4.9945 -4.9945 -4.5066 -4.5066 -0.8055 -0.8055 3.9792 3.9792 4.0509 4.0509 4.1898 4.1898 4.9456 4.9456 5.0090 5.0090 5.7617 5.7617 6.2985 6.2985 6.6502 6.6502 7.5491 7.5491 7.7453 7.7453 8.6195 8.6195 9.3193 9.3193 10.5909 10.5909 11.2956 11.2956 13.1927 13.1927 k = 0.5596 0.0685-0.0758 ( 3532 PWs) bands (ev): -15.9388 -15.9388 -15.9295 -15.9295 -12.9619 -12.9619 -12.9478 -12.9478 -12.9461 -12.9461 -5.0119 -5.0119 -4.5197 -4.5197 -0.7848 -0.7848 3.9665 3.9665 4.0384 4.0384 4.1730 4.1730 4.9573 4.9573 5.0195 5.0195 5.8045 5.8045 6.3833 6.3833 6.7176 6.7176 7.5528 7.5528 7.7680 7.7680 8.6300 8.6300 9.2439 9.2439 10.5476 10.5476 11.3276 11.3276 13.1415 13.1415 k = 0.5530 0.0782-0.0568 ( 3536 PWs) bands (ev): -15.9389 -15.9389 -15.9295 -15.9295 -12.9622 -12.9622 -12.9479 -12.9479 -12.9460 -12.9460 -5.0276 -5.0276 -4.5317 -4.5317 -0.7661 -0.7661 3.9538 3.9538 4.0275 4.0275 4.1578 4.1578 4.9668 4.9668 5.0285 5.0285 5.8394 5.8394 6.4750 6.4750 6.7886 6.7886 7.5552 7.5552 7.7878 7.7878 8.6218 8.6218 9.1675 9.1675 10.5148 10.5148 11.3610 11.3610 13.0847 13.0847 k = 0.5463 0.0878-0.0378 ( 3538 PWs) bands (ev): -15.9390 -15.9390 -15.9295 -15.9295 -12.9623 -12.9623 -12.9480 -12.9480 -12.9458 -12.9458 -5.0415 -5.0415 -4.5423 -4.5423 -0.7494 -0.7494 3.9418 3.9418 4.0178 4.0178 4.1444 4.1444 4.9746 4.9746 5.0362 5.0362 5.8669 5.8669 6.5724 6.5724 6.8608 6.8608 7.5555 7.5555 7.8053 7.8053 8.5959 8.5959 9.0923 9.0923 10.4923 10.4923 11.3950 11.3950 13.0274 13.0274 k = 0.5397 0.0975-0.0187 ( 3542 PWs) bands (ev): -15.9391 -15.9391 -15.9295 -15.9295 -12.9625 -12.9625 -12.9480 -12.9480 -12.9457 -12.9457 -5.0536 -5.0536 -4.5516 -4.5516 -0.7348 -0.7348 3.9307 3.9307 4.0094 4.0094 4.1328 4.1328 4.9808 4.9808 5.0427 5.0427 5.8882 5.8882 6.6733 6.6733 6.9315 6.9315 7.5528 7.5528 7.8215 7.8215 8.5546 8.5546 9.0204 9.0204 10.4788 10.4788 11.4291 11.4291 12.9721 12.9721 k = 0.5331 0.1071 0.0003 ( 3542 PWs) bands (ev): -15.9392 -15.9392 -15.9295 -15.9295 -12.9627 -12.9627 -12.9481 -12.9481 -12.9456 -12.9456 -5.0638 -5.0638 -4.5595 -4.5595 -0.7224 -0.7224 3.9209 3.9209 4.0021 4.0021 4.1230 4.1230 4.9857 4.9857 5.0480 5.0480 5.9044 5.9044 6.7756 6.7756 6.9978 6.9978 7.5455 7.5455 7.8380 7.8380 8.5017 8.5017 8.9538 8.9538 10.4724 10.4724 11.4623 11.4623 12.9205 12.9205 k = 0.5265 0.1167 0.0193 ( 3546 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9628 -12.9628 -12.9482 -12.9482 -12.9455 -12.9455 -5.0722 -5.0722 -4.5660 -4.5660 -0.7122 -0.7122 3.9126 3.9126 3.9960 3.9960 4.1151 4.1151 4.9895 4.9895 5.0523 5.0523 5.9165 5.9165 6.8762 6.8762 7.0566 7.0566 7.5316 7.5316 7.8565 7.8565 8.4422 8.4422 8.8945 8.8945 10.4709 10.4709 11.4933 11.4933 12.8742 12.8742 k = 0.5199 0.1264 0.0383 ( 3546 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9629 -12.9629 -12.9482 -12.9482 -12.9454 -12.9454 -5.0788 -5.0788 -4.5711 -4.5711 -0.7042 -0.7042 3.9060 3.9060 3.9911 3.9911 4.1091 4.1091 4.9924 4.9924 5.0556 5.0556 5.9251 5.9251 6.9716 6.9716 7.1054 7.1054 7.5097 7.5097 7.8782 7.8782 8.3816 8.3816 8.8447 8.8447 10.4721 10.4721 11.5205 11.5205 12.8351 12.8351 k = 0.5132 0.1360 0.0574 ( 3552 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9454 -12.9454 -5.0835 -5.0835 -4.5747 -4.5747 -0.6984 -0.6984 3.9012 3.9012 3.9876 3.9876 4.1048 4.1048 4.9943 4.9943 5.0579 5.0579 5.9309 5.9309 7.0559 7.0559 7.1420 7.1420 7.4808 7.4808 7.9019 7.9019 8.3267 8.3267 8.8069 8.8069 10.4743 10.4743 11.5418 11.5418 12.8053 12.8053 k = 0.5066 0.1456 0.0764 ( 3550 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0863 -5.0863 -4.5769 -4.5769 -0.6950 -0.6950 3.8983 3.8983 3.9854 3.9854 4.1023 4.1023 4.9954 4.9954 5.0593 5.0593 5.9343 5.9343 7.1185 7.1185 7.1656 7.1656 7.4516 7.4516 7.9224 7.9224 8.2864 8.2864 8.7832 8.7832 10.4761 10.4761 11.5556 11.5556 12.7865 12.7865 k = 0.5000 0.1553 0.0954 ( 3554 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0873 -5.0873 -4.5777 -4.5777 -0.6938 -0.6938 3.8973 3.8973 3.9847 3.9847 4.1015 4.1015 4.9958 4.9958 5.0597 5.0597 5.9353 5.9353 7.1421 7.1421 7.1749 7.1749 7.4380 7.4380 7.9310 7.9310 8.2711 8.2711 8.7751 8.7751 10.4768 10.4768 11.5603 11.5603 12.7801 12.7801 k = 0.5000 0.1553 0.0954 ( 3554 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0873 -5.0873 -4.5777 -4.5777 -0.6938 -0.6938 3.8973 3.8973 3.9847 3.9847 4.1015 4.1015 4.9958 4.9958 5.0597 5.0597 5.9353 5.9353 7.1421 7.1421 7.1749 7.1749 7.4380 7.4380 7.9310 7.9310 8.2711 8.2711 8.7751 8.7751 10.4768 10.4768 11.5603 11.5603 12.7801 12.7801 k = 0.4792 0.1488 0.0914 ( 3548 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0902 -5.0902 -4.5737 -4.5737 -0.6961 -0.6961 3.8997 3.8997 3.9848 3.9848 4.1016 4.1016 4.9960 4.9960 5.0597 5.0597 5.9357 5.9357 7.1082 7.1082 7.2094 7.2094 7.4362 7.4362 7.9334 7.9334 8.2612 8.2612 8.7825 8.7825 10.4752 10.4752 11.5572 11.5572 12.7822 12.7822 k = 0.4583 0.1423 0.0875 ( 3536 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0986 -5.0986 -4.5622 -4.5622 -0.7027 -0.7027 3.9069 3.9069 3.9849 3.9849 4.1022 4.1022 4.9966 4.9966 5.0598 5.0598 5.9370 5.9370 7.0628 7.0628 7.2568 7.2568 7.4310 7.4310 7.9407 7.9407 8.2332 8.2332 8.8027 8.8027 10.4704 10.4704 11.5478 11.5478 12.7886 12.7886 k = 0.4375 0.1358 0.0835 ( 3537 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.1118 -5.1118 -4.5440 -4.5440 -0.7137 -0.7137 3.9187 3.9187 3.9852 3.9852 4.1031 4.1031 4.9975 4.9975 5.0598 5.0598 5.9389 5.9389 7.0173 7.0173 7.3054 7.3054 7.4228 7.4228 7.9525 7.9525 8.1912 8.1912 8.8319 8.8319 10.4626 10.4626 11.5325 11.5325 12.7987 12.7987 k = 0.4167 0.1294 0.0795 ( 3543 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.1287 -5.1287 -4.5201 -4.5201 -0.7287 -0.7287 3.9348 3.9348 3.9855 3.9855 4.1045 4.1045 4.9988 4.9988 5.0598 5.0598 5.9417 5.9417 6.9725 6.9725 7.3546 7.3546 7.4119 7.4119 7.9682 7.9682 8.1395 8.1395 8.8659 8.8659 10.4522 10.4522 11.5117 11.5117 12.8117 12.8117 k = 0.3958 0.1229 0.0755 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.1483 -5.1483 -4.4917 -4.4917 -0.7476 -0.7476 3.9548 3.9548 3.9859 3.9859 4.1065 4.1065 5.0004 5.0004 5.0598 5.0598 5.9453 5.9453 6.9285 6.9285 7.3991 7.3991 7.4037 7.4037 7.9873 7.9873 8.0814 8.0814 8.9015 8.9015 10.4395 10.4395 11.4858 11.4858 12.8262 12.8262 k = 0.3750 0.1164 0.0716 ( 3546 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.1696 -5.1696 -4.4597 -4.4597 -0.7701 -0.7701 3.9782 3.9782 3.9864 3.9864 4.1093 4.1093 5.0023 5.0023 5.0598 5.0598 5.9498 5.9498 6.8855 6.8855 7.3847 7.3847 7.4522 7.4522 8.0090 8.0090 8.0197 8.0197 8.9366 8.9366 10.4251 10.4251 11.4555 11.4555 12.8408 12.8408 k = 0.3542 0.1100 0.0676 ( 3543 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.1919 -5.1919 -4.4250 -4.4250 -0.7957 -0.7957 3.9870 3.9870 4.0039 4.0039 4.1136 4.1136 5.0047 5.0047 5.0598 5.0598 5.9551 5.9551 6.8434 6.8434 7.3693 7.3693 7.4992 7.4992 7.9570 7.9570 8.0330 8.0330 8.9694 8.9694 10.4095 10.4095 11.4214 11.4214 12.8537 12.8537 k = 0.3333 0.1035 0.0636 ( 3546 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.2146 -5.2146 -4.3885 -4.3885 -0.8240 -0.8240 3.9876 3.9876 4.0303 4.0303 4.1204 4.1204 5.0073 5.0073 5.0599 5.0599 5.9612 5.9612 6.8023 6.8023 7.3534 7.3534 7.5425 7.5425 7.8964 7.8964 8.0585 8.0585 8.9988 8.9988 10.3933 10.3933 11.3843 11.3843 12.8630 12.8630 k = 0.3125 0.0970 0.0596 ( 3540 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.2372 -5.2372 -4.3508 -4.3508 -0.8547 -0.8547 3.9883 3.9883 4.0544 4.0544 4.1323 4.1323 5.0103 5.0103 5.0599 5.0599 5.9683 5.9683 6.7623 6.7623 7.3373 7.3373 7.5772 7.5772 7.8437 7.8437 8.0852 8.0852 9.0240 9.0240 10.3773 10.3773 11.3449 11.3449 12.8670 12.8670 k = 0.2917 0.0906 0.0557 ( 3540 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.2593 -5.2593 -4.3125 -4.3125 -0.8871 -0.8871 3.9890 3.9890 4.0726 4.0726 4.1523 4.1523 5.0136 5.0136 5.0599 5.0599 5.9762 5.9762 6.7233 6.7233 7.3212 7.3212 7.5920 7.5920 7.8110 7.8110 8.1127 8.1127 9.0444 9.0444 10.3620 10.3620 11.3040 11.3040 12.8642 12.8642 k = 0.2708 0.0841 0.0517 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.2806 -5.2806 -4.2740 -4.2740 -0.9209 -0.9209 3.9897 3.9897 4.0840 4.0840 4.1807 4.1807 5.0172 5.0172 5.0599 5.0599 5.9851 5.9851 6.6853 6.6853 7.3055 7.3055 7.5745 7.5745 7.8111 7.8111 8.1404 8.1404 9.0595 9.0595 10.3481 10.3481 11.2622 11.2622 12.8543 12.8543 k = 0.2500 0.0776 0.0477 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3010 -5.3010 -4.2358 -4.2358 -0.9553 -0.9553 3.9905 3.9905 4.0909 4.0909 4.2146 4.2146 5.0211 5.0211 5.0600 5.0600 5.9950 5.9950 6.6484 6.6484 7.2903 7.2903 7.5311 7.5311 7.8382 7.8382 8.1681 8.1681 9.0691 9.0691 10.3359 10.3359 11.2202 11.2202 12.8373 12.8373 k = 0.2292 0.0712 0.0437 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3201 -5.3201 -4.1984 -4.1984 -0.9899 -0.9899 3.9912 3.9912 4.0954 4.0954 4.2511 4.2511 5.0252 5.0252 5.0600 5.0600 6.0059 6.0059 6.6126 6.6126 7.2759 7.2759 7.4765 7.4765 7.8779 7.8779 8.1953 8.1953 9.0731 9.0731 10.3258 10.3258 11.1787 11.1787 12.8143 12.8143 k = 0.2083 0.0647 0.0398 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3380 -5.3380 -4.1623 -4.1623 -1.0241 -1.0241 3.9920 3.9920 4.0987 4.0987 4.2884 4.2884 5.0296 5.0296 5.0601 5.0601 6.0179 6.0179 6.5777 6.5777 7.2623 7.2623 7.4187 7.4187 7.9227 7.9227 8.2217 8.2217 9.0716 9.0716 10.3180 10.3180 11.1384 11.1384 12.7867 12.7867 k = 0.1875 0.0582 0.0358 ( 3543 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3544 -5.3544 -4.1279 -4.1279 -1.0573 -1.0573 3.9927 3.9927 4.1013 4.1013 4.3254 4.3254 5.0342 5.0342 5.0601 5.0601 6.0311 6.0311 6.5438 6.5438 7.2497 7.2497 7.3615 7.3615 7.9691 7.9691 8.2470 8.2470 9.0651 9.0651 10.3125 10.3125 11.0998 11.0998 12.7562 12.7562 k = 0.1667 0.0518 0.0318 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3693 -5.3693 -4.0956 -4.0956 -1.0889 -1.0889 3.9934 3.9934 4.1034 4.1034 4.3610 4.3610 5.0388 5.0388 5.0601 5.0601 6.0454 6.0454 6.5109 6.5109 7.2382 7.2382 7.3067 7.3067 8.0155 8.0155 8.2708 8.2708 9.0542 9.0542 10.3092 10.3092 11.0634 11.0634 12.7243 12.7243 k = 0.1458 0.0453 0.0278 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3826 -5.3826 -4.0658 -4.0658 -1.1185 -1.1185 3.9940 3.9940 4.1052 4.1052 4.3944 4.3944 5.0434 5.0434 5.0602 5.0602 6.0608 6.0608 6.4790 6.4790 7.2279 7.2279 7.2557 7.2557 8.0607 8.0607 8.2928 8.2928 9.0396 9.0396 10.3078 10.3078 11.0300 11.0300 12.6927 12.6927 k = 0.1250 0.0388 0.0239 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.3942 -5.3942 -4.0389 -4.0389 -1.1454 -1.1454 3.9946 3.9946 4.1067 4.1067 4.4250 4.4250 5.0480 5.0480 5.0602 5.0602 6.0773 6.0773 6.4481 6.4481 7.2094 7.2094 7.2188 7.2188 8.1037 8.1037 8.3126 8.3126 9.0224 9.0224 10.3078 10.3078 10.9998 10.9998 12.6627 12.6627 k = 0.1042 0.0323 0.0199 ( 3555 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4041 -5.4041 -4.0155 -4.0155 -1.1692 -1.1692 3.9951 3.9951 4.1079 4.1079 4.4520 4.4520 5.0522 5.0522 5.0602 5.0602 6.0946 6.0946 6.4186 6.4186 7.1687 7.1687 7.2110 7.2110 8.1435 8.1435 8.3300 8.3300 9.0039 9.0039 10.3089 10.3089 10.9735 10.9735 12.6354 12.6354 k = 0.0833 0.0259 0.0159 ( 3549 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4123 -5.4123 -3.9957 -3.9957 -1.1893 -1.1893 3.9955 3.9955 4.1089 4.1089 4.4749 4.4749 5.0561 5.0561 5.0602 5.0602 6.1124 6.1124 6.3907 6.3907 7.1344 7.1344 7.2046 7.2046 8.1789 8.1789 8.3447 8.3447 8.9853 8.9853 10.3106 10.3106 10.9513 10.9513 12.6118 12.6118 k = 0.0625 0.0194 0.0119 ( 3561 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4186 -5.4186 -3.9799 -3.9799 -1.2054 -1.2054 3.9958 3.9958 4.1097 4.1097 4.4931 4.4931 5.0594 5.0594 5.0602 5.0602 6.1297 6.1297 6.3653 6.3653 7.1070 7.1070 7.1995 7.1995 8.2086 8.2086 8.3563 8.3563 8.9684 8.9684 10.3124 10.3124 10.9337 10.9337 12.5926 12.5926 k = 0.0417 0.0129 0.0080 ( 3561 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4232 -5.4232 -3.9685 -3.9685 -1.2172 -1.2172 3.9961 3.9961 4.1102 4.1102 4.5065 4.5065 5.0603 5.0603 5.0619 5.0619 6.1454 6.1454 6.3440 6.3440 7.0871 7.0871 7.1959 7.1959 8.2313 8.2313 8.3648 8.3648 8.9547 8.9547 10.3139 10.3139 10.9209 10.9209 12.5785 12.5785 k = 0.0208 0.0065 0.0040 ( 3558 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4260 -5.4260 -3.9615 -3.9615 -1.2243 -1.2243 3.9962 3.9962 4.1106 4.1106 4.5146 4.5146 5.0603 5.0603 5.0635 5.0635 6.1569 6.1569 6.3291 6.3291 7.0750 7.0750 7.1937 7.1937 8.2455 8.2455 8.3700 8.3700 8.9458 8.9458 10.3150 10.3150 10.9131 10.9131 12.5699 12.5699 k = 0.0000 0.0000 0.0000 ( 3567 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4269 -5.4269 -3.9592 -3.9592 -1.2267 -1.2267 3.9962 3.9962 4.1107 4.1107 4.5173 4.5173 5.0602 5.0602 5.0639 5.0639 6.1613 6.1613 6.3236 6.3236 7.0709 7.0709 7.1930 7.1930 8.2503 8.2503 8.3717 8.3717 8.9427 8.9427 10.3154 10.3154 10.9105 10.9105 12.5669 12.5669 k = 0.0000 0.0000 0.0000 ( 3567 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4269 -5.4269 -3.9592 -3.9592 -1.2267 -1.2267 3.9962 3.9962 4.1107 4.1107 4.5173 4.5173 5.0602 5.0602 5.0639 5.0639 6.1613 6.1613 6.3236 6.3236 7.0709 7.0709 7.1930 7.1930 8.2503 8.2503 8.3717 8.3717 8.9427 8.9427 10.3154 10.3154 10.9105 10.9105 12.5669 12.5669 k = 0.0066-0.0096-0.0190 ( 3561 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9453 -12.9453 -5.4258 -5.4258 -3.9588 -3.9588 -1.2267 -1.2267 3.9959 3.9959 4.1102 4.1102 4.5165 4.5165 5.0592 5.0592 5.0632 5.0632 6.1486 6.1486 6.3301 6.3301 7.0748 7.0748 7.1991 7.1991 8.2406 8.2406 8.3551 8.3551 8.9561 8.9561 10.3211 10.3211 10.9066 10.9066 12.5809 12.5809 k = 0.0132-0.0193-0.0381 ( 3559 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9630 -12.9630 -12.9483 -12.9483 -12.9454 -12.9454 -5.4227 -5.4227 -3.9579 -3.9579 -1.2266 -1.2266 3.9948 3.9948 4.1088 4.1088 4.5139 4.5139 5.0551 5.0551 5.0620 5.0620 6.1158 6.1158 6.3457 6.3457 7.0844 7.0844 7.2186 7.2186 8.2085 8.2085 8.3139 8.3139 8.9909 8.9909 10.3375 10.3375 10.8960 10.8960 12.6215 12.6215 k = 0.0199-0.0289-0.0571 ( 3557 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9629 -12.9629 -12.9482 -12.9482 -12.9454 -12.9454 -5.4175 -5.4175 -3.9563 -3.9563 -1.2266 -1.2266 3.9928 3.9928 4.1066 4.1066 4.5096 4.5096 5.0473 5.0473 5.0610 5.0610 6.0709 6.0709 6.3643 6.3643 7.0954 7.0954 7.2530 7.2530 8.1482 8.1482 8.2651 8.2651 9.0366 9.0366 10.3627 10.3627 10.8826 10.8826 12.6861 12.6861 k = 0.0265-0.0385-0.0761 ( 3559 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9628 -12.9628 -12.9482 -12.9482 -12.9455 -12.9455 -5.4102 -5.4102 -3.9540 -3.9540 -1.2265 -1.2265 3.9898 3.9898 4.1038 4.1038 4.5035 4.5035 5.0361 5.0361 5.0598 5.0598 6.0196 6.0196 6.3833 6.3833 7.1054 7.1054 7.3014 7.3014 8.0628 8.0628 8.2157 8.2157 9.0850 9.0850 10.3933 10.3933 10.8721 10.8721 12.7705 12.7705 k = 0.0331-0.0482-0.0951 ( 3555 PWs) bands (ev): -15.9392 -15.9392 -15.9295 -15.9295 -12.9627 -12.9627 -12.9482 -12.9482 -12.9456 -12.9456 -5.4008 -5.4008 -3.9512 -3.9512 -1.2265 -1.2265 3.9857 3.9857 4.1006 4.1006 4.4956 4.4956 5.0220 5.0220 5.0584 5.0584 5.9652 5.9652 6.4017 6.4017 7.1143 7.1143 7.3602 7.3602 7.9623 7.9623 8.1629 8.1629 9.1312 9.1312 10.4241 10.4241 10.8713 10.8713 12.8703 12.8703 k = 0.0397-0.0578-0.1142 ( 3553 PWs) bands (ev): -15.9391 -15.9391 -15.9295 -15.9295 -12.9625 -12.9625 -12.9481 -12.9481 -12.9457 -12.9457 -5.3894 -5.3894 -3.9478 -3.9478 -1.2266 -1.2266 3.9804 3.9804 4.0970 4.0970 4.4857 4.4857 5.0051 5.0051 5.0568 5.0568 5.9104 5.9104 6.4191 6.4191 7.1225 7.1225 7.4247 7.4247 7.8542 7.8542 8.1051 8.1051 9.1731 9.1731 10.4493 10.4493 10.8868 10.8868 12.9811 12.9811 k = 0.0464-0.0675-0.1332 ( 3551 PWs) bands (ev): -15.9390 -15.9390 -15.9295 -15.9295 -12.9623 -12.9623 -12.9480 -12.9480 -12.9458 -12.9458 -5.3759 -5.3759 -3.9438 -3.9438 -1.2268 -1.2268 3.9736 3.9736 4.0933 4.0933 4.4738 4.4738 4.9858 4.9858 5.0549 5.0549 5.8569 5.8569 6.4349 6.4349 7.1304 7.1304 7.4893 7.4893 7.7437 7.7437 8.0442 8.0442 9.2101 9.2101 10.4652 10.4652 10.9222 10.9222 13.0986 13.0986 k = 0.0530-0.0771-0.1522 ( 3551 PWs) bands (ev): -15.9389 -15.9389 -15.9295 -15.9295 -12.9622 -12.9622 -12.9479 -12.9479 -12.9460 -12.9460 -5.3604 -5.3604 -3.9392 -3.9392 -1.2273 -1.2273 3.9653 3.9653 4.0895 4.0895 4.4600 4.4600 4.9644 4.9644 5.0528 5.0528 5.8058 5.8058 6.4484 6.4484 7.1371 7.1371 7.5447 7.5447 7.6361 7.6361 7.9862 7.9862 9.2423 9.2423 10.4721 10.4721 10.9762 10.9762 13.2184 13.2184 k = 0.0596-0.0867-0.1713 ( 3557 PWs) bands (ev): -15.9388 -15.9388 -15.9295 -15.9295 -12.9620 -12.9620 -12.9478 -12.9478 -12.9462 -12.9462 -5.3429 -5.3429 -3.9342 -3.9342 -1.2281 -1.2281 3.9557 3.9557 4.0854 4.0854 4.4444 4.4444 4.9414 4.9414 5.0506 5.0506 5.7581 5.7581 6.4587 6.4587 7.1396 7.1396 7.5262 7.5262 7.5867 7.5867 7.9451 7.9451 9.2704 9.2704 10.4732 10.4732 11.0439 11.0439 13.3360 13.3360 k = 0.0662-0.0964-0.1903 ( 3555 PWs) bands (ev): -15.9387 -15.9387 -15.9295 -15.9295 -12.9617 -12.9617 -12.9477 -12.9477 -12.9463 -12.9463 -5.3234 -5.3234 -3.9287 -3.9287 -1.2293 -1.2293 3.9448 3.9448 4.0806 4.0806 4.4273 4.4273 4.9176 4.9176 5.0481 5.0481 5.7141 5.7141 6.4648 6.4648 7.1300 7.1300 7.4436 7.4436 7.5751 7.5751 7.9410 7.9410 9.2949 9.2949 10.4723 10.4723 11.1195 11.1195 13.4466 13.4466 k = 0.0729-0.1060-0.2093 ( 3553 PWs) bands (ev): -15.9386 -15.9386 -15.9296 -15.9296 -12.9615 -12.9615 -12.9476 -12.9476 -12.9465 -12.9465 -5.3020 -5.3020 -3.9227 -3.9227 -1.2310 -1.2310 3.9328 3.9328 4.0749 4.0749 4.4091 4.4091 4.8932 4.8932 5.0455 5.0455 5.6742 5.6742 6.4655 6.4655 7.0950 7.0950 7.3909 7.3909 7.5196 7.5196 7.9768 7.9768 9.3166 9.3166 10.4718 10.4718 11.1983 11.1983 13.5448 13.5448 k = 0.0795-0.1156-0.2283 ( 3545 PWs) bands (ev): -15.9385 -15.9385 -15.9296 -15.9296 -12.9613 -12.9613 -12.9475 -12.9475 -12.9466 -12.9466 -5.2786 -5.2786 -3.9164 -3.9164 -1.2334 -1.2334 3.9201 3.9201 4.0675 4.0675 4.3908 4.3908 4.8690 4.8690 5.0428 5.0428 5.6382 5.6382 6.4593 6.4593 7.0295 7.0295 7.3768 7.3768 7.4352 7.4352 8.0354 8.0354 9.3361 9.3361 10.4734 10.4734 11.2762 11.2762 13.6250 13.6250 k = 0.0861-0.1253-0.2474 ( 3537 PWs) bands (ev): -15.9383 -15.9383 -15.9296 -15.9296 -12.9610 -12.9610 -12.9473 -12.9473 -12.9468 -12.9468 -5.2534 -5.2534 -3.9097 -3.9097 -1.2364 -1.2364 3.9067 3.9067 4.0578 4.0578 4.3731 4.3731 4.8451 4.8451 5.0398 5.0398 5.6060 5.6060 6.4446 6.4446 6.9463 6.9463 7.3354 7.3354 7.3909 7.3909 8.1035 8.1035 9.3539 9.3539 10.4779 10.4779 11.3502 11.3502 13.6823 13.6823 k = 0.0927-0.1349-0.2664 ( 3533 PWs) bands (ev): -15.9382 -15.9382 -15.9296 -15.9296 -12.9608 -12.9608 -12.9473 -12.9473 -12.9468 -12.9468 -5.2264 -5.2264 -3.9027 -3.9027 -1.2403 -1.2403 3.8929 3.8929 4.0454 4.0454 4.3571 4.3571 4.8220 4.8220 5.0367 5.0367 5.5773 5.5773 6.4192 6.4192 6.8595 6.8595 7.2273 7.2273 7.4212 7.4212 8.1745 8.1745 9.3703 9.3703 10.4854 10.4854 11.4177 11.4177 13.7140 13.7140 k = 0.0993-0.1446-0.2854 ( 3535 PWs) bands (ev): -15.9380 -15.9380 -15.9296 -15.9296 -12.9606 -12.9606 -12.9474 -12.9474 -12.9468 -12.9468 -5.1975 -5.1975 -3.8955 -3.8955 -1.2451 -1.2451 3.8788 3.8788 4.0299 4.0299 4.3438 4.3438 4.7996 4.7996 5.0334 5.0334 5.5517 5.5517 6.3807 6.3807 6.7778 6.7778 7.1141 7.1141 7.4614 7.4614 8.2454 8.2454 9.3857 9.3857 10.4961 10.4961 11.4768 11.4768 13.7206 13.7206 k = 0.1060-0.1542-0.3045 ( 3539 PWs) bands (ev): -15.9379 -15.9379 -15.9296 -15.9296 -12.9604 -12.9604 -12.9475 -12.9475 -12.9466 -12.9466 -5.1669 -5.1669 -3.8881 -3.8881 -1.2510 -1.2510 3.8647 3.8647 4.0114 4.0114 4.3338 4.3338 4.7781 4.7781 5.0298 5.0298 5.5289 5.5289 6.3272 6.3272 6.7062 6.7062 6.9980 6.9980 7.5086 7.5086 8.3142 8.3142 9.4003 9.4003 10.5097 10.5097 11.5261 11.5261 13.7055 13.7055 k = 0.1126-0.1638-0.3235 ( 3535 PWs) bands (ev): -15.9377 -15.9377 -15.9296 -15.9296 -12.9602 -12.9602 -12.9476 -12.9476 -12.9464 -12.9464 -5.1346 -5.1346 -3.8806 -3.8806 -1.2580 -1.2580 3.8506 3.8506 3.9905 3.9905 4.3272 4.3272 4.7573 4.7573 5.0257 5.0257 5.5086 5.5086 6.2592 6.2592 6.6458 6.6458 6.8806 6.8806 7.5608 7.5608 8.3801 8.3801 9.4142 9.4142 10.5261 10.5261 11.5648 11.5648 13.6732 13.6732 k = 0.1192-0.1735-0.3425 ( 3531 PWs) bands (ev): -15.9375 -15.9375 -15.9296 -15.9296 -12.9601 -12.9601 -12.9478 -12.9478 -12.9462 -12.9462 -5.1006 -5.1006 -3.8730 -3.8730 -1.2664 -1.2664 3.8366 3.8366 3.9683 3.9683 4.3239 4.3239 4.7373 4.7373 5.0212 5.0212 5.4905 5.4905 6.1794 6.1794 6.5947 6.5947 6.7635 6.7635 7.6167 7.6167 8.4422 8.4422 9.4275 9.4275 10.5447 10.5447 11.5927 11.5927 13.6278 13.6278 k = 0.1258-0.1831-0.3615 ( 3529 PWs) bands (ev): -15.9373 -15.9373 -15.9296 -15.9296 -12.9599 -12.9599 -12.9479 -12.9479 -12.9459 -12.9459 -5.0651 -5.0651 -3.8654 -3.8654 -1.2760 -1.2760 3.8226 3.8226 3.9457 3.9457 4.3235 4.3235 4.7178 4.7178 5.0160 5.0160 5.4743 5.4743 6.0919 6.0919 6.5484 6.5484 6.6488 6.6488 7.6753 7.6753 8.4999 8.4999 9.4401 9.4401 10.5654 10.5654 11.6100 11.6100 13.5725 13.5725 k = 0.1325-0.1927-0.3806 ( 3525 PWs) bands (ev): -15.9372 -15.9372 -15.9296 -15.9296 -12.9598 -12.9598 -12.9480 -12.9480 -12.9457 -12.9457 -5.0281 -5.0281 -3.8578 -3.8578 -1.2872 -1.2872 3.8088 3.8088 3.9241 3.9241 4.3255 4.3255 4.6987 4.6987 5.0099 5.0099 5.4597 5.4597 6.0003 6.0003 6.4950 6.4950 6.5464 6.5464 7.7358 7.7358 8.5528 8.5528 9.4521 9.4521 10.5876 10.5876 11.6175 11.6175 13.5101 13.5101 k = 0.1391-0.2024-0.3996 ( 3529 PWs) bands (ev): -15.9370 -15.9370 -15.9296 -15.9296 -12.9597 -12.9597 -12.9481 -12.9481 -12.9454 -12.9454 -4.9897 -4.9897 -3.8504 -3.8504 -1.2998 -1.2998 3.7949 3.7949 3.9043 3.9043 4.3296 4.3296 4.6800 4.6800 5.0025 5.0025 5.4466 5.4466 5.9071 5.9071 6.4032 6.4032 6.4866 6.4866 7.7971 7.7971 8.6007 8.6007 9.4633 9.4633 10.6110 10.6110 11.6166 11.6166 13.4432 13.4432 k = 0.1457-0.2120-0.4186 ( 3525 PWs) bands (ev): -15.9368 -15.9368 -15.9296 -15.9296 -12.9596 -12.9596 -12.9482 -12.9482 -12.9451 -12.9451 -4.9499 -4.9499 -3.8431 -3.8431 -1.3140 -1.3140 3.7813 3.7813 3.8873 3.8873 4.3353 4.3353 4.6617 4.6617 4.9935 4.9935 5.4347 5.4347 5.8142 5.8142 6.2962 6.2962 6.4457 6.4457 7.8584 7.8584 8.6433 8.6433 9.4737 9.4737 10.6351 10.6351 11.6086 11.6086 13.3742 13.3742 k = 0.1523-0.2216-0.4377 ( 3529 PWs) bands (ev): -15.9366 -15.9366 -15.9297 -15.9297 -12.9595 -12.9595 -12.9483 -12.9483 -12.9448 -12.9448 -4.9089 -4.9089 -3.8361 -3.8361 -1.3299 -1.3299 3.7682 3.7682 3.8733 3.8733 4.3421 4.3421 4.6437 4.6437 4.9824 4.9824 5.4239 5.4239 5.7228 5.7228 6.1903 6.1903 6.4076 6.4076 7.9188 7.9188 8.6804 8.6804 9.4832 9.4832 10.6595 10.6595 11.5954 11.5954 13.3053 13.3053 k = 0.1590-0.2313-0.4567 ( 3533 PWs) bands (ev): -15.9365 -15.9365 -15.9297 -15.9297 -12.9595 -12.9595 -12.9484 -12.9484 -12.9445 -12.9445 -4.8667 -4.8667 -3.8294 -3.8294 -1.3473 -1.3473 3.7561 3.7561 3.8625 3.8625 4.3500 4.3500 4.6261 4.6261 4.9687 4.9687 5.4138 5.4138 5.6339 5.6339 6.0881 6.0881 6.3701 6.3701 7.9774 7.9774 8.7119 8.7119 9.4919 9.4919 10.6836 10.6836 11.5785 11.5785 13.2386 13.2386 k = 0.1656-0.2409-0.4757 ( 3539 PWs) bands (ev): -15.9363 -15.9363 -15.9297 -15.9297 -12.9594 -12.9594 -12.9484 -12.9484 -12.9443 -12.9443 -4.8234 -4.8234 -3.8230 -3.8230 -1.3663 -1.3663 3.7453 3.7453 3.8548 3.8548 4.3585 4.3585 4.6088 4.6088 4.9516 4.9516 5.4040 5.4040 5.5490 5.5490 5.9907 5.9907 6.3326 6.3326 8.0330 8.0330 8.7379 8.7379 9.4999 9.4999 10.7072 10.7072 11.5597 11.5597 13.1757 13.1757 k = 0.1722-0.2506-0.4948 ( 3541 PWs) bands (ev): -15.9361 -15.9361 -15.9297 -15.9297 -12.9594 -12.9594 -12.9485 -12.9485 -12.9440 -12.9440 -4.7792 -4.7792 -3.8170 -3.8170 -1.3869 -1.3869 3.7364 3.7364 3.8499 3.8499 4.3675 4.3675 4.5921 4.5921 4.9305 4.9305 5.3922 5.3922 5.4707 5.4707 5.8992 5.8992 6.2949 6.2949 8.0845 8.0845 8.7582 8.7582 9.5073 9.5073 10.7298 10.7298 11.5406 11.5406 13.1181 13.1181 k = 0.1788-0.2602-0.5138 ( 3535 PWs) bands (ev): -15.9359 -15.9359 -15.9297 -15.9297 -12.9594 -12.9594 -12.9486 -12.9486 -12.9437 -12.9437 -4.7342 -4.7342 -3.8116 -3.8116 -1.4090 -1.4090 3.7297 3.7297 3.8476 3.8476 4.3769 4.3769 4.5760 4.5760 4.9046 4.9046 5.3640 5.3640 5.4142 5.4142 5.8143 5.8143 6.2572 6.2572 8.1307 8.1307 8.7730 8.7730 9.5147 9.5147 10.7511 10.7511 11.5224 11.5224 13.0669 13.0669 k = 0.1854-0.2698-0.5328 ( 3535 PWs) bands (ev): -15.9358 -15.9358 -15.9297 -15.9297 -12.9593 -12.9593 -12.9486 -12.9486 -12.9434 -12.9434 -4.6885 -4.6885 -3.8066 -3.8066 -1.4325 -1.4325 3.7250 3.7250 3.8478 3.8478 4.3865 4.3865 4.5605 4.5605 4.8734 4.8734 5.3034 5.3034 5.3956 5.3956 5.7369 5.7369 6.2194 6.2194 8.1704 8.1704 8.7823 8.7823 9.5225 9.5225 10.7708 10.7708 11.5064 11.5064 13.0231 13.0231 k = 0.1921-0.2795-0.5518 ( 3529 PWs) bands (ev): -15.9356 -15.9356 -15.9297 -15.9297 -12.9593 -12.9593 -12.9487 -12.9487 -12.9431 -12.9431 -4.6423 -4.6423 -3.8022 -3.8022 -1.4572 -1.4572 3.7224 3.7224 3.8505 3.8505 4.3961 4.3961 4.5457 4.5457 4.8369 4.8369 5.2379 5.2379 5.3874 5.3874 5.6677 5.6677 6.1818 6.1818 8.2021 8.2021 8.7862 8.7862 9.5314 9.5314 10.7888 10.7888 11.4933 11.4933 12.9873 12.9873 k = 0.1987-0.2891-0.5709 ( 3529 PWs) bands (ev): -15.9355 -15.9355 -15.9297 -15.9297 -12.9592 -12.9592 -12.9487 -12.9487 -12.9429 -12.9429 -4.5956 -4.5956 -3.7985 -3.7985 -1.4831 -1.4831 3.7213 3.7213 3.8554 3.8554 4.4056 4.4056 4.5316 4.5316 4.7957 4.7957 5.1753 5.1753 5.3815 5.3815 5.6073 5.6073 6.1446 6.1446 8.2247 8.2247 8.7849 8.7849 9.5419 9.5419 10.8051 10.8051 11.4839 11.4839 12.9599 12.9599 k = 0.2053-0.2987-0.5899 ( 3527 PWs) bands (ev): -15.9353 -15.9353 -15.9297 -15.9297 -12.9592 -12.9592 -12.9488 -12.9488 -12.9427 -12.9427 -4.5488 -4.5488 -3.7954 -3.7954 -1.5100 -1.5100 3.7213 3.7213 3.8627 3.8627 4.4147 4.4147 4.5181 4.5181 4.7514 4.7514 5.1162 5.1162 5.3761 5.3761 5.5563 5.5563 6.1080 6.1080 8.2371 8.2371 8.7786 8.7786 9.5547 9.5547 10.8198 10.8198 11.4785 11.4785 12.9413 12.9413 k = 0.2119-0.3084-0.6089 ( 3523 PWs) bands (ev): -15.9352 -15.9352 -15.9297 -15.9297 -12.9591 -12.9591 -12.9489 -12.9489 -12.9425 -12.9425 -4.5019 -4.5019 -3.7930 -3.7930 -1.5377 -1.5377 3.7217 3.7217 3.8722 3.8722 4.4229 4.4229 4.5050 4.5050 4.7067 4.7067 5.0603 5.0603 5.3704 5.3704 5.5149 5.5149 6.0722 6.0722 8.2386 8.2386 8.7676 8.7676 9.5700 9.5700 10.8330 10.8330 11.4773 11.4773 12.9315 12.9315 k = 0.2186-0.3180-0.6280 ( 3513 PWs) bands (ev): -15.9350 -15.9350 -15.9297 -15.9297 -12.9590 -12.9590 -12.9489 -12.9489 -12.9423 -12.9423 -4.4551 -4.4551 -3.7913 -3.7913 -1.5660 -1.5660 3.7218 3.7218 3.8837 3.8837 4.4285 4.4285 4.4927 4.4927 4.6649 4.6649 5.0071 5.0071 5.3633 5.3633 5.4838 5.4838 6.0374 6.0374 8.2288 8.2288 8.7521 8.7521 9.5879 9.5879 10.8451 10.8451 11.4805 11.4805 12.9305 12.9305 k = 0.2252-0.3276-0.6470 ( 3515 PWs) bands (ev): -15.9349 -15.9349 -15.9297 -15.9297 -12.9589 -12.9589 -12.9490 -12.9490 -12.9421 -12.9421 -4.4086 -4.4086 -3.7904 -3.7904 -1.5946 -1.5946 3.7209 3.7209 3.8965 3.8965 4.4271 4.4271 4.4841 4.4841 4.6295 4.6295 4.9564 4.9564 5.3537 5.3537 5.4630 5.4630 6.0040 6.0040 8.2077 8.2077 8.7324 8.7324 9.6082 9.6082 10.8561 10.8561 11.4882 11.4882 12.9379 12.9379 k = 0.2318-0.3373-0.6660 ( 3517 PWs) bands (ev): -15.9347 -15.9347 -15.9298 -15.9298 -12.9588 -12.9588 -12.9491 -12.9491 -12.9420 -12.9420 -4.3626 -4.3626 -3.7903 -3.7903 -1.6233 -1.6233 3.7185 3.7185 3.9096 3.9096 4.4140 4.4140 4.4836 4.4836 4.6032 4.6032 4.9085 4.9085 5.3414 5.3414 5.4519 5.4519 5.9721 5.9721 8.1759 8.1759 8.7087 8.7087 9.6303 9.6303 10.8663 10.8663 11.5003 11.5003 12.9534 12.9534 k = 0.2384-0.3469-0.6850 ( 3511 PWs) bands (ev): -15.9346 -15.9346 -15.9298 -15.9298 -12.9586 -12.9586 -12.9492 -12.9492 -12.9418 -12.9418 -4.3174 -4.3174 -3.7909 -3.7909 -1.6519 -1.6519 3.7142 3.7142 3.9216 3.9216 4.3924 4.3924 4.4891 4.4891 4.5865 4.5865 4.8641 4.8641 5.3275 5.3275 5.4488 5.4488 5.9420 5.9420 8.1341 8.1341 8.6813 8.6813 9.6536 9.6536 10.8756 10.8756 11.5170 11.5170 12.9764 12.9764 k = 0.2451-0.3566-0.7041 ( 3517 PWs) bands (ev): -15.9345 -15.9345 -15.9298 -15.9298 -12.9584 -12.9584 -12.9493 -12.9493 -12.9417 -12.9417 -4.2732 -4.2732 -3.7923 -3.7923 -1.6802 -1.6802 3.7077 3.7077 3.9305 3.9305 4.3698 4.3698 4.4958 4.4958 4.5785 4.5785 4.8243 4.8243 5.3130 5.3130 5.4518 5.4518 5.9140 5.9140 8.0833 8.0833 8.6502 8.6502 9.6773 9.6773 10.8840 10.8840 11.5384 11.5384 13.0064 13.0064 k = 0.2517-0.3662-0.7231 ( 3512 PWs) bands (ev): -15.9343 -15.9343 -15.9298 -15.9298 -12.9582 -12.9582 -12.9495 -12.9495 -12.9417 -12.9417 -4.2302 -4.2302 -3.7946 -3.7946 -1.7078 -1.7078 3.6991 3.6991 3.9342 3.9342 4.3518 4.3518 4.4996 4.4996 4.5784 4.5784 4.7908 4.7908 5.2990 5.2990 5.4596 5.4596 5.8884 5.8884 8.0247 8.0247 8.6155 8.6155 9.7007 9.7007 10.8911 10.8911 11.5645 11.5645 13.0426 13.0426 k = 0.2583-0.3758-0.7421 ( 3508 PWs) bands (ev): -15.9342 -15.9342 -15.9298 -15.9298 -12.9580 -12.9580 -12.9496 -12.9496 -12.9416 -12.9416 -4.1886 -4.1886 -3.7976 -3.7976 -1.7345 -1.7345 3.6882 3.6882 3.9315 3.9315 4.3413 4.3413 4.4978 4.4978 4.5848 4.5848 4.7661 4.7661 5.2858 5.2858 5.4715 5.4715 5.8656 5.8656 7.9593 7.9593 8.5776 8.5776 9.7231 9.7231 10.8968 10.8968 11.5955 11.5955 13.0844 13.0844 k = 0.2649-0.3855-0.7612 ( 3512 PWs) bands (ev): -15.9341 -15.9341 -15.9299 -15.9299 -12.9577 -12.9577 -12.9498 -12.9498 -12.9416 -12.9416 -4.1487 -4.1487 -3.8014 -3.8014 -1.7600 -1.7600 3.6752 3.6752 3.9222 3.9222 4.3381 4.3381 4.4904 4.4904 4.5948 4.5948 4.7529 4.7529 5.2736 5.2736 5.4873 5.4873 5.8459 5.8459 7.8882 7.8882 8.5365 8.5365 9.7442 9.7442 10.9006 10.9006 11.6312 11.6312 13.1310 13.1310 k = 0.2715-0.3951-0.7802 ( 3514 PWs) bands (ev): -15.9340 -15.9340 -15.9299 -15.9299 -12.9574 -12.9574 -12.9499 -12.9499 -12.9416 -12.9416 -4.1106 -4.1106 -3.8059 -3.8059 -1.7842 -1.7842 3.6603 3.6603 3.9077 3.9077 4.3392 4.3392 4.4798 4.4798 4.6050 4.6050 4.7534 4.7534 5.2624 5.2624 5.5068 5.5068 5.8299 5.8299 7.8124 7.8124 8.4923 8.4923 9.7634 9.7634 10.9022 10.9022 11.6714 11.6714 13.1817 13.1817 k = 0.2782-0.4047-0.7992 ( 3514 PWs) bands (ev): -15.9339 -15.9339 -15.9299 -15.9299 -12.9571 -12.9571 -12.9501 -12.9501 -12.9416 -12.9416 -4.0747 -4.0747 -3.8112 -3.8112 -1.8067 -1.8067 3.6439 3.6439 3.8901 3.8901 4.3390 4.3390 4.4703 4.4703 4.6137 4.6137 4.7676 4.7676 5.2522 5.2522 5.5301 5.5301 5.8181 5.8181 7.7326 7.7326 8.4454 8.4454 9.7806 9.7806 10.9015 10.9015 11.7156 11.7156 13.2356 13.2356 k = 0.2848-0.4144-0.8182 ( 3520 PWs) bands (ev): -15.9338 -15.9338 -15.9300 -15.9300 -12.9568 -12.9568 -12.9503 -12.9503 -12.9416 -12.9416 -4.0412 -4.0412 -3.8172 -3.8172 -1.8274 -1.8274 3.6264 3.6264 3.8714 3.8714 4.3315 4.3315 4.4670 4.4670 4.6210 4.6210 4.7930 4.7930 5.2431 5.2431 5.5571 5.5571 5.8112 5.8112 7.6497 7.6497 8.3960 8.3960 9.7957 9.7957 10.8982 10.8982 11.7633 11.7633 13.2919 13.2919 k = 0.2914-0.4240-0.8373 ( 3514 PWs) bands (ev): -15.9338 -15.9338 -15.9300 -15.9300 -12.9565 -12.9565 -12.9505 -12.9505 -12.9417 -12.9417 -4.0101 -4.0101 -3.8238 -3.8238 -1.8461 -1.8461 3.6085 3.6085 3.8529 3.8529 4.3142 4.3142 4.4716 4.4716 4.6280 4.6280 4.8266 4.8266 5.2349 5.2349 5.5875 5.5875 5.8106 5.8106 7.5643 7.5643 8.3441 8.3441 9.8085 9.8085 10.8923 10.8923 11.8134 11.8134 13.3497 13.3497 k = 0.2980-0.4337-0.8563 ( 3510 PWs) bands (ev): -15.9337 -15.9337 -15.9300 -15.9300 -12.9562 -12.9562 -12.9508 -12.9508 -12.9417 -12.9417 -3.9818 -3.9818 -3.8311 -3.8311 -1.8626 -1.8626 3.5906 3.5906 3.8358 3.8358 4.2896 4.2896 4.4809 4.4809 4.6352 4.6352 4.8658 4.8658 5.2278 5.2278 5.6207 5.6207 5.8177 5.8177 7.4769 7.4769 8.2901 8.2901 9.8191 9.8191 10.8840 10.8840 11.8651 11.8651 13.4082 13.4082 k = 0.3047-0.4433-0.8753 ( 3504 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9559 -12.9559 -12.9510 -12.9510 -12.9418 -12.9418 -3.9563 -3.9563 -3.8389 -3.8389 -1.8769 -1.8769 3.5736 3.5736 3.8204 3.8204 4.2610 4.2610 4.4916 4.4916 4.6428 4.6428 4.9084 4.9084 5.2218 5.2218 5.6557 5.6557 5.8344 5.8344 7.3882 7.3882 8.2341 8.2341 9.8277 9.8277 10.8733 10.8733 11.9172 11.9172 13.4662 13.4662 k = 0.3113-0.4529-0.8944 ( 3504 PWs) bands (ev): -15.9336 -15.9336 -15.9301 -15.9301 -12.9556 -12.9556 -12.9512 -12.9512 -12.9418 -12.9418 -3.9338 -3.9338 -3.8473 -3.8473 -1.8888 -1.8888 3.5579 3.5579 3.8070 3.8070 4.2308 4.2308 4.5015 4.5015 4.6504 4.6504 4.9528 4.9528 5.2168 5.2168 5.6916 5.6916 5.8625 5.8625 7.2984 7.2984 8.1763 8.1763 9.8341 9.8341 10.8605 10.8605 11.9683 11.9683 13.5227 13.5227 k = 0.3179-0.4626-0.9134 ( 3500 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9553 -12.9553 -12.9514 -12.9514 -12.9418 -12.9418 -3.9143 -3.9143 -3.8560 -3.8560 -1.8984 -1.8984 3.5440 3.5440 3.7957 3.7957 4.2004 4.2004 4.5098 4.5098 4.6574 4.6574 4.9972 4.9972 5.2128 5.2128 5.7283 5.7283 5.9028 5.9028 7.2081 7.2081 8.1169 8.1169 9.8386 9.8386 10.8458 10.8458 12.0172 12.0172 13.5764 13.5764 k = 0.3245-0.4722-0.9324 ( 3498 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9552 -12.9552 -12.9515 -12.9515 -12.9419 -12.9419 -3.8980 -3.8980 -3.8649 -3.8649 -1.9057 -1.9057 3.5324 3.5324 3.7864 3.7864 4.1708 4.1708 4.5164 4.5164 4.6634 4.6634 5.0400 5.0400 5.2100 5.2100 5.7674 5.7674 5.9547 5.9547 7.1176 7.1176 8.0561 8.0561 9.8412 9.8412 10.8295 10.8295 12.0623 12.0623 13.6261 13.6261 k = 0.3312-0.4818-0.9514 ( 3502 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9551 -12.9551 -12.9516 -12.9516 -12.9419 -12.9419 -3.8863 -3.8863 -3.8725 -3.8725 -1.9107 -1.9107 3.5232 3.5232 3.7791 3.7791 4.1426 4.1426 4.5212 4.5212 4.6678 4.6678 5.0795 5.0795 5.2084 5.2084 5.8112 5.8112 6.0162 6.0162 7.0273 7.0273 7.9941 7.9941 9.8419 9.8419 10.8118 10.8118 12.1023 12.1023 13.6703 13.6703 k = 0.3378-0.4915-0.9705 ( 3506 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9551 -12.9551 -12.9516 -12.9516 -12.9419 -12.9419 -3.8878 -3.8878 -3.8701 -3.8701 -1.9136 -1.9136 3.5165 3.5165 3.7739 3.7739 4.1166 4.1166 4.5247 4.5247 4.6707 4.6707 5.1140 5.1140 5.2087 5.2087 5.8615 5.8615 6.0853 6.0853 6.9374 6.9374 7.9312 7.9312 9.8408 9.8408 10.7930 10.7930 12.1356 12.1356 13.7075 13.7075 k = 0.3444-0.5011-0.9895 ( 3512 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9552 -12.9552 -12.9515 -12.9515 -12.9418 -12.9418 -3.8969 -3.8969 -3.8629 -3.8629 -1.9145 -1.9145 3.5121 3.5121 3.7708 3.7708 4.0932 4.0932 4.5270 4.5270 4.6719 4.6719 5.1416 5.1416 5.2120 5.2120 5.9196 5.9196 6.1601 6.1601 6.8485 6.8485 7.8678 7.8678 9.8380 9.8380 10.7734 10.7734 12.1607 12.1607 13.7362 13.7362 k = 0.6556-0.3459-0.8941 ( 3512 PWs) bands (ev): -15.9335 -15.9335 -15.9301 -15.9301 -12.9552 -12.9552 -12.9515 -12.9515 -12.9418 -12.9418 -3.8969 -3.8969 -3.8629 -3.8629 -1.9145 -1.9145 3.5121 3.5121 3.7708 3.7708 4.0932 4.0932 4.5270 4.5270 4.6719 4.6719 5.1416 5.1416 5.2120 5.2120 5.9196 5.9196 6.1601 6.1601 6.8485 6.8485 7.8678 7.8678 9.8380 9.8380 10.7734 10.7734 12.1607 12.1607 13.7362 13.7362 k = 0.6491-0.3250-0.8941 ( 3512 PWs) bands (ev): -15.9336 -15.9336 -15.9301 -15.9301 -12.9555 -12.9555 -12.9513 -12.9513 -12.9418 -12.9418 -3.9068 -3.9068 -3.8577 -3.8577 -1.9137 -1.9137 3.5095 3.5095 3.7700 3.7700 4.0734 4.0734 4.5284 4.5284 4.6716 4.6716 5.1598 5.1598 5.2201 5.2201 5.9846 5.9846 6.2370 6.2370 6.7629 6.7629 7.8056 7.8056 9.8336 9.8336 10.7537 10.7537 12.1762 12.1762 13.7547 13.7547 k = 0.6426-0.3041-0.8941 ( 3516 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9558 -12.9558 -12.9511 -12.9511 -12.9417 -12.9417 -3.9170 -3.9170 -3.8545 -3.8545 -1.9113 -1.9113 3.5082 3.5082 3.7717 3.7717 4.0569 4.0569 4.5292 4.5292 4.6700 4.6700 5.1693 5.1693 5.2330 5.2330 6.0571 6.0571 6.3153 6.3153 6.6797 6.6797 7.7439 7.7439 9.8275 9.8275 10.7338 10.7338 12.1816 12.1816 13.7625 13.7625 k = 0.6361-0.2832-0.8941 ( 3520 PWs) bands (ev): -15.9336 -15.9336 -15.9300 -15.9300 -12.9561 -12.9561 -12.9509 -12.9509 -12.9416 -12.9416 -3.9273 -3.9273 -3.8533 -3.8533 -1.9077 -1.9077 3.5074 3.5074 3.7764 3.7764 4.0443 4.0443 4.5295 4.5295 4.6675 4.6675 5.1732 5.1732 5.2480 5.2480 6.1364 6.1364 6.3906 6.3906 6.6021 6.6021 7.6838 7.6838 9.8196 9.8196 10.7137 10.7137 12.1761 12.1761 13.7588 13.7588 k = 0.6297-0.2623-0.8941 ( 3520 PWs) bands (ev): -15.9337 -15.9337 -15.9300 -15.9300 -12.9565 -12.9565 -12.9506 -12.9506 -12.9415 -12.9415 -3.9376 -3.9376 -3.8539 -3.8539 -1.9029 -1.9029 3.5063 3.5063 3.7845 3.7845 4.0357 4.0357 4.5295 4.5295 4.6642 4.6642 5.1744 5.1744 5.2627 5.2627 6.2203 6.2203 6.4427 6.4427 6.5498 6.5498 7.6266 7.6266 9.8101 9.8101 10.6938 10.6938 12.1592 12.1592 13.7435 13.7435 k = 0.6232-0.2415-0.8941 ( 3514 PWs) bands (ev): -15.9338 -15.9338 -15.9299 -15.9299 -12.9570 -12.9570 -12.9504 -12.9504 -12.9413 -12.9413 -3.9478 -3.9478 -3.8560 -3.8560 -1.8973 -1.8973 3.5041 3.5041 3.7967 3.7967 4.0314 4.0314 4.5293 4.5293 4.6604 4.6604 5.1744 5.1744 5.2762 5.2762 6.2986 6.2986 6.4224 6.4224 6.5790 6.5790 7.5747 7.5747 9.7987 9.7987 10.6742 10.6742 12.1308 12.1308 13.7169 13.7169 k = 0.6167-0.2206-0.8941 ( 3516 PWs) bands (ev): -15.9338 -15.9338 -15.9299 -15.9299 -12.9574 -12.9574 -12.9502 -12.9502 -12.9411 -12.9411 -3.9580 -3.9580 -3.8596 -3.8596 -1.8911 -1.8911 3.5003 3.5003 3.8131 3.8131 4.0313 4.0313 4.5291 4.5291 4.6566 4.6566 5.1736 5.1736 5.2883 5.2883 6.3024 6.3024 6.4458 6.4458 6.6377 6.6377 7.5312 7.5312 9.7855 9.7855 10.6549 10.6549 12.0912 12.0912 13.6798 13.6798 k = 0.6102-0.1997-0.8941 ( 3514 PWs) bands (ev): -15.9339 -15.9339 -15.9299 -15.9299 -12.9579 -12.9579 -12.9500 -12.9500 -12.9409 -12.9409 -3.9679 -3.9679 -3.8642 -3.8642 -1.8843 -1.8843 3.4945 3.4945 3.8337 3.8337 4.0357 4.0357 4.5289 4.5289 4.6531 4.6531 5.1725 5.1725 5.2991 5.2991 6.2387 6.2387 6.5375 6.5375 6.6887 6.6887 7.5008 7.5008 9.7702 9.7702 10.6361 10.6361 12.0413 12.0413 13.6338 13.6338 k = 0.6037-0.1788-0.8941 ( 3520 PWs) bands (ev): -15.9340 -15.9340 -15.9298 -15.9298 -12.9583 -12.9583 -12.9499 -12.9499 -12.9406 -12.9406 -3.9777 -3.9777 -3.8698 -3.8698 -1.8773 -1.8773 3.4868 3.4868 3.8580 3.8580 4.0443 4.0443 4.5290 4.5290 4.6502 4.6502 5.1712 5.1712 5.3087 5.3087 6.1664 6.1664 6.6414 6.6414 6.7229 6.7229 7.4889 7.4889 9.7528 9.7528 10.6178 10.6178 11.9822 11.9822 13.5807 13.5807 k = 0.5972-0.1579-0.8941 ( 3522 PWs) bands (ev): -15.9341 -15.9341 -15.9298 -15.9298 -12.9588 -12.9588 -12.9498 -12.9498 -12.9403 -12.9403 -3.9871 -3.9871 -3.8761 -3.8761 -1.8702 -1.8702 3.4774 3.4774 3.8851 3.8851 4.0573 4.0573 4.5292 4.5292 4.6485 4.6485 5.1697 5.1697 5.3173 5.3173 6.0940 6.0940 6.7215 6.7215 6.7629 6.7629 7.4994 7.4994 9.7329 9.7329 10.5998 10.5998 11.9156 11.9156 13.5224 13.5224 k = 0.5908-0.1371-0.8941 ( 3516 PWs) bands (ev): -15.9342 -15.9342 -15.9297 -15.9297 -12.9592 -12.9592 -12.9496 -12.9496 -12.9400 -12.9400 -3.9962 -3.9962 -3.8828 -3.8828 -1.8631 -1.8631 3.4668 3.4668 3.9139 3.9139 4.0748 4.0748 4.5299 4.5299 4.6486 4.6486 5.1683 5.1683 5.3251 5.3251 6.0230 6.0230 6.7117 6.7117 6.8724 6.8724 7.5325 7.5325 9.7104 9.7104 10.5820 10.5820 11.8433 11.8433 13.4608 13.4608 k = 0.5843-0.1162-0.8941 ( 3514 PWs) bands (ev): -15.9343 -15.9343 -15.9297 -15.9297 -12.9597 -12.9597 -12.9496 -12.9496 -12.9397 -12.9397 -4.0049 -4.0049 -3.8899 -3.8899 -1.8562 -1.8562 3.4553 3.4553 3.9429 3.9429 4.0965 4.0965 4.5309 4.5309 4.6512 4.6512 5.1668 5.1668 5.3320 5.3320 5.9545 5.9545 6.6756 6.6756 6.9899 6.9899 7.5840 7.5840 9.6849 9.6849 10.5641 10.5641 11.7676 11.7676 13.3977 13.3977 k = 0.5778-0.0953-0.8941 ( 3514 PWs) bands (ev): -15.9344 -15.9344 -15.9296 -15.9296 -12.9601 -12.9601 -12.9495 -12.9495 -12.9394 -12.9394 -4.0131 -4.0131 -3.8971 -3.8971 -1.8495 -1.8495 3.4434 3.4434 3.9710 3.9710 4.1221 4.1221 4.5321 4.5321 4.6571 4.6571 5.1654 5.1654 5.3380 5.3380 5.8888 5.8888 6.6228 6.6228 7.1105 7.1105 7.6482 7.6482 9.6560 9.6560 10.5458 10.5458 11.6908 11.6908 13.3347 13.3347 k = 0.5713-0.0744-0.8941 ( 3514 PWs) bands (ev): -15.9345 -15.9345 -15.9296 -15.9296 -12.9605 -12.9605 -12.9494 -12.9494 -12.9391 -12.9391 -4.0209 -4.0209 -3.9043 -3.9043 -1.8432 -1.8432 3.4315 3.4315 3.9975 3.9975 4.1506 4.1506 4.5336 4.5336 4.6676 4.6676 5.1639 5.1639 5.3432 5.3432 5.8267 5.8267 6.5584 6.5584 7.2332 7.2332 7.7198 7.7198 9.6231 9.6231 10.5267 10.5267 11.6153 11.6153 13.2730 13.2730 k = 0.5648-0.0535-0.8941 ( 3518 PWs) bands (ev): -15.9345 -15.9345 -15.9295 -15.9295 -12.9608 -12.9608 -12.9494 -12.9494 -12.9389 -12.9389 -4.0281 -4.0281 -3.9114 -3.9114 -1.8372 -1.8372 3.4197 3.4197 4.0220 4.0220 4.1805 4.1805 4.5351 4.5351 4.6837 4.6837 5.1625 5.1625 5.3472 5.3472 5.7689 5.7689 6.4860 6.4860 7.3573 7.3573 7.7947 7.7947 9.5859 9.5859 10.5063 10.5063 11.5437 11.5437 13.2139 13.2139 k = 0.5583-0.0327-0.8941 ( 3516 PWs) bands (ev): -15.9346 -15.9346 -15.9295 -15.9295 -12.9612 -12.9612 -12.9494 -12.9494 -12.9386 -12.9386 -4.0348 -4.0348 -3.9181 -3.9181 -1.8318 -1.8318 3.4085 3.4085 4.0444 4.0444 4.2099 4.2099 4.5364 4.5364 4.7063 4.7063 5.1610 5.1610 5.3497 5.3497 5.7162 5.7162 6.4083 6.4083 7.4822 7.4822 7.8698 7.8698 9.5436 9.5436 10.4844 10.4844 11.4781 11.4781 13.1580 13.1580 k = 0.5519-0.0118-0.8941 ( 3510 PWs) bands (ev): -15.9347 -15.9347 -15.9294 -15.9294 -12.9615 -12.9615 -12.9493 -12.9493 -12.9383 -12.9383 -4.0408 -4.0408 -3.9244 -3.9244 -1.8269 -1.8269 3.3980 3.3980 4.0649 4.0649 4.2371 4.2371 4.5376 4.5376 4.7361 4.7361 5.1595 5.1595 5.3500 5.3500 5.6701 5.6701 6.3273 6.3273 7.6069 7.6069 7.9428 7.9428 9.4957 9.4957 10.4608 10.4608 11.4206 11.4206 13.1063 13.1063 k = 0.5454 0.0091-0.8941 ( 3518 PWs) bands (ev): -15.9347 -15.9347 -15.9294 -15.9294 -12.9618 -12.9618 -12.9493 -12.9493 -12.9381 -12.9381 -4.0462 -4.0462 -3.9302 -3.9302 -1.8225 -1.8225 3.3884 3.3884 4.0834 4.0834 4.2611 4.2611 4.5387 4.5387 4.7727 4.7727 5.1577 5.1577 5.3473 5.3473 5.6323 5.6323 6.2444 6.2444 7.7302 7.7302 8.0122 8.0122 9.4419 9.4419 10.4359 10.4359 11.3723 11.3723 13.0592 13.0592 k = 0.5389 0.0300-0.8941 ( 3520 PWs) bands (ev): -15.9348 -15.9348 -15.9294 -15.9294 -12.9621 -12.9621 -12.9493 -12.9493 -12.9379 -12.9379 -4.0510 -4.0510 -3.9354 -3.9354 -1.8186 -1.8186 3.3799 3.3799 4.0999 4.0999 4.2812 4.2812 4.5396 4.5396 4.8153 4.8153 5.1555 5.1555 5.3403 5.3403 5.6048 5.6048 6.1612 6.1612 7.8505 7.8505 8.0769 8.0769 9.3822 9.3822 10.4106 10.4106 11.3338 11.3338 13.0173 13.0173 k = 0.5324 0.0509-0.8941 ( 3512 PWs) bands (ev): -15.9348 -15.9348 -15.9293 -15.9293 -12.9623 -12.9623 -12.9493 -12.9493 -12.9377 -12.9377 -4.0550 -4.0550 -3.9399 -3.9399 -1.8154 -1.8154 3.3724 3.3724 4.1142 4.1142 4.2975 4.2975 4.5406 4.5406 4.8620 4.8620 5.1526 5.1526 5.3285 5.3285 5.5895 5.5895 6.0789 6.0789 7.9645 7.9645 8.1372 8.1372 9.3171 9.3171 10.3860 10.3860 11.3047 11.3047 12.9809 12.9809 k = 0.5259 0.0717-0.8941 ( 3508 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9625 -12.9625 -12.9493 -12.9493 -12.9375 -12.9375 -4.0584 -4.0584 -3.9437 -3.9437 -1.8127 -1.8127 3.3663 3.3663 4.1262 4.1262 4.3103 4.3103 4.5415 4.5415 4.9108 4.9108 5.1482 5.1482 5.3125 5.3125 5.5870 5.5870 5.9991 5.9991 8.0661 8.0661 8.1957 8.1957 9.2484 9.2484 10.3635 10.3635 11.2840 11.2840 12.9504 12.9504 k = 0.5194 0.0926-0.8941 ( 3512 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9626 -12.9626 -12.9493 -12.9493 -12.9374 -12.9374 -4.0610 -4.0610 -3.9467 -3.9467 -1.8106 -1.8106 3.3614 3.3614 4.1357 4.1357 4.3198 4.3198 4.5423 4.5423 4.9592 4.9592 5.1413 5.1413 5.2947 5.2947 5.5968 5.5968 5.9237 5.9237 8.1438 8.1438 8.2591 8.2591 9.1796 9.1796 10.3444 10.3444 11.2702 11.2702 12.9261 12.9261 k = 0.5130 0.1135-0.8941 ( 3512 PWs) bands (ev): -15.9349 -15.9349 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0629 -4.0629 -3.9489 -3.9489 -1.8091 -1.8091 3.3579 3.3579 4.1426 4.1426 4.3263 4.3263 4.5430 4.5430 5.0044 5.0044 5.1305 5.1305 5.2783 5.2783 5.6171 5.6171 5.8555 5.8555 8.1915 8.1915 8.3265 8.3265 9.1167 9.1167 10.3300 10.3300 11.2618 11.2618 12.9084 12.9084 k = 0.5065 0.1344-0.8941 ( 3506 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9373 -12.9373 -4.0640 -4.0640 -3.9502 -3.9502 -1.8082 -1.8082 3.3557 3.3557 4.1467 4.1467 4.3302 4.3302 4.5435 4.5435 5.0430 5.0430 5.1147 5.1147 5.2668 5.2668 5.6432 5.6432 5.8001 5.8001 8.2161 8.2161 8.3801 8.3801 9.0700 9.0700 10.3210 10.3210 11.2574 11.2574 12.8976 12.8976 k = 0.5000 0.1553-0.8941 ( 3508 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9372 -12.9372 -4.0644 -4.0644 -3.9506 -3.9506 -1.8079 -1.8079 3.3550 3.3550 4.1481 4.1481 4.3314 4.3314 4.5436 4.5436 5.0638 5.0638 5.1020 5.1020 5.2627 5.2627 5.6585 5.6585 5.7748 5.7748 8.2237 8.2237 8.4008 8.4008 9.0522 9.0522 10.3180 10.3180 11.2560 11.2560 12.8940 12.8940 k = 0.5000 0.1553-0.8941 ( 3508 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9372 -12.9372 -4.0644 -4.0644 -3.9506 -3.9506 -1.8079 -1.8079 3.3550 3.3550 4.1481 4.1481 4.3314 4.3314 4.5436 4.5436 5.0638 5.0638 5.1020 5.1020 5.2627 5.2627 5.6585 5.6585 5.7748 5.7748 8.2237 8.2237 8.4008 8.4008 9.0522 9.0522 10.3180 10.3180 11.2560 11.2560 12.8940 12.8940 k = 0.5173 0.1606-0.8835 ( 3509 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9372 -12.9372 -4.0641 -4.0641 -3.9513 -3.9513 -1.8076 -1.8076 3.3539 3.3539 4.1476 4.1476 4.3305 4.3305 4.5447 4.5447 5.0664 5.0664 5.1029 5.1029 5.2624 5.2624 5.6602 5.6602 5.7771 5.7771 8.2095 8.2095 8.3901 8.3901 9.0691 9.0691 10.3233 10.3233 11.2508 11.2508 12.8974 12.8974 k = 0.5346 0.1660-0.8729 ( 3507 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9372 -12.9372 -4.0632 -4.0632 -3.9534 -3.9534 -1.8065 -1.8065 3.3506 3.3506 4.1459 4.1459 4.3275 4.3275 4.5484 4.5484 5.0731 5.0731 5.1064 5.1064 5.2619 5.2619 5.6648 5.6648 5.7842 5.7842 8.1668 8.1668 8.3631 8.3631 9.1144 9.1144 10.3390 10.3390 11.2359 11.2359 12.9073 12.9073 k = 0.5519 0.1714-0.8623 ( 3507 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9373 -12.9373 -4.0616 -4.0616 -3.9569 -3.9569 -1.8048 -1.8048 3.3452 3.3452 4.1430 4.1430 4.3215 4.3215 4.5561 4.5561 5.0809 5.0809 5.1144 5.1144 5.2617 5.2617 5.6716 5.6716 5.7967 5.7967 8.0980 8.0980 8.3283 8.3283 9.1777 9.1777 10.3644 10.3644 11.2131 11.2131 12.9224 12.9224 k = 0.5692 0.1767-0.8517 ( 3507 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9373 -12.9373 -4.0595 -4.0595 -3.9616 -3.9616 -1.8023 -1.8023 3.3382 3.3382 4.1388 4.1388 4.3120 4.3120 4.5691 4.5691 5.0868 5.0868 5.1282 5.1282 5.2628 5.2628 5.6794 5.6794 5.8152 5.8152 8.0095 8.0095 8.2892 8.2892 9.2491 9.2491 10.3987 10.3987 11.1854 11.1854 12.9415 12.9415 k = 0.5864 0.1821-0.8411 ( 3511 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9628 -12.9628 -12.9493 -12.9493 -12.9373 -12.9373 -4.0569 -4.0569 -3.9676 -3.9676 -1.7991 -1.7991 3.3298 3.3298 4.1329 4.1329 4.2988 4.2988 4.5882 4.5882 5.0905 5.0905 5.1457 5.1457 5.2670 5.2670 5.6875 5.6875 5.8403 5.8403 7.9080 7.9080 8.2459 8.2459 9.3216 9.3216 10.4405 10.4405 11.1562 11.1562 12.9631 12.9631 k = 0.6037 0.1875-0.8305 ( 3509 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0539 -4.0539 -3.9746 -3.9746 -1.7953 -1.7953 3.3205 3.3205 4.1254 4.1254 4.2826 4.2826 4.6132 4.6132 5.0935 5.0935 5.1628 5.1628 5.2766 5.2766 5.6954 5.6954 5.8717 5.8717 7.7985 7.7985 8.1985 8.1985 9.3904 9.3904 10.4881 10.4881 11.1294 11.1294 12.9864 12.9864 k = 0.6210 0.1928-0.8199 ( 3511 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0508 -4.0508 -3.9825 -3.9825 -1.7908 -1.7908 3.3107 3.3107 4.1159 4.1159 4.2645 4.2645 4.6433 4.6433 5.0964 5.0964 5.1762 5.1762 5.2936 5.2936 5.7034 5.7034 5.9089 5.9089 7.6845 7.6845 8.1470 8.1470 9.4516 9.4516 10.5399 10.5399 11.1094 11.1094 13.0109 13.0109 k = 0.6383 0.1982-0.8093 ( 3508 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0481 -4.0481 -3.9905 -3.9905 -1.7857 -1.7857 3.3008 3.3008 4.1043 4.1043 4.2457 4.2457 4.6773 4.6773 5.0996 5.0996 5.1853 5.1853 5.3180 5.3180 5.7117 5.7117 5.9512 5.9512 7.5683 7.5683 8.0918 8.0918 9.5023 9.5023 10.5936 10.5936 11.1001 11.1001 13.0360 13.0360 k = 0.6556 0.2036-0.7987 ( 3501 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0468 -4.0468 -3.9979 -3.9979 -1.7799 -1.7799 3.2910 3.2910 4.0906 4.0906 4.2273 4.2273 4.7136 4.7136 5.1034 5.1034 5.1916 5.1916 5.3479 5.3479 5.7210 5.7210 5.9976 5.9976 7.4516 7.4516 8.0337 8.0337 9.5401 9.5401 10.6474 10.6474 11.1054 11.1054 13.0618 13.0618 k = 0.6556 0.2036-0.7987 ( 3501 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0468 -4.0468 -3.9979 -3.9979 -1.7799 -1.7799 3.2910 3.2910 4.0906 4.0906 4.2273 4.2273 4.7136 4.7136 5.1034 5.1034 5.1916 5.1916 5.3479 5.3479 5.7210 5.7210 5.9976 5.9976 7.4516 7.4516 8.0337 8.0337 9.5401 9.5401 10.6474 10.6474 11.1054 11.1054 13.0618 13.0618 k = 0.6518 0.2024-0.7769 ( 3498 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9626 -12.9626 -12.9493 -12.9493 -12.9375 -12.9375 -4.0634 -4.0634 -3.9993 -3.9993 -1.7704 -1.7704 3.2884 3.2884 4.1076 4.1076 4.2472 4.2472 4.7431 4.7431 5.1064 5.1064 5.1732 5.1732 5.3621 5.3621 5.7475 5.7475 5.9736 5.9736 7.3872 7.3872 8.0548 8.0548 9.5464 9.5464 10.6688 10.6688 11.1031 11.1031 13.0709 13.0709 k = 0.6480 0.2012-0.7551 ( 3496 PWs) bands (ev): -15.9351 -15.9351 -15.9293 -15.9293 -12.9625 -12.9625 -12.9493 -12.9493 -12.9377 -12.9377 -4.0864 -4.0864 -3.9998 -3.9998 -1.7568 -1.7568 3.2901 3.2901 4.1212 4.1212 4.2697 4.2697 4.7666 4.7666 5.1110 5.1110 5.1561 5.1561 5.3793 5.3793 5.7782 5.7782 5.9560 5.9560 7.3215 7.3215 8.0764 8.0764 9.5532 9.5532 10.6899 10.6899 11.1046 11.1046 13.0822 13.0822 k = 0.6442 0.2000-0.7333 ( 3504 PWs) bands (ev): -15.9351 -15.9351 -15.9293 -15.9293 -12.9624 -12.9624 -12.9493 -12.9493 -12.9379 -12.9379 -4.1128 -4.1128 -4.0019 -4.0019 -1.7392 -1.7392 3.2964 3.2964 4.1320 4.1320 4.2938 4.2938 4.7820 4.7820 5.1137 5.1137 5.1458 5.1458 5.3979 5.3979 5.8135 5.8135 5.9458 5.9458 7.2553 7.2553 8.0983 8.0983 9.5606 9.5606 10.7103 10.7103 11.1097 11.1097 13.0956 13.0956 k = 0.6404 0.1989-0.7115 ( 3506 PWs) bands (ev): -15.9352 -15.9352 -15.9294 -15.9294 -12.9623 -12.9623 -12.9493 -12.9493 -12.9382 -12.9382 -4.1416 -4.1416 -4.0065 -4.0065 -1.7178 -1.7178 3.3076 3.3076 4.1406 4.1406 4.3185 4.3185 4.7887 4.7887 5.1062 5.1062 5.1511 5.1511 5.4163 5.4163 5.8530 5.8530 5.9448 5.9448 7.1897 7.1897 8.1203 8.1203 9.5686 9.5686 10.7297 10.7297 11.1182 11.1182 13.1114 13.1114 k = 0.6366 0.1977-0.6897 ( 3508 PWs) bands (ev): -15.9352 -15.9352 -15.9294 -15.9294 -12.9621 -12.9621 -12.9493 -12.9493 -12.9384 -12.9384 -4.1722 -4.1722 -4.0136 -4.0136 -1.6931 -1.6931 3.3238 3.3238 4.1474 4.1474 4.3429 4.3429 4.7871 4.7871 5.0930 5.0930 5.1671 5.1671 5.4335 5.4335 5.8930 5.8930 5.9577 5.9577 7.1253 7.1253 8.1422 8.1422 9.5772 9.5772 10.7481 10.7481 11.1298 11.1298 13.1295 13.1295 k = 0.6328 0.1965-0.6679 ( 3510 PWs) bands (ev): -15.9353 -15.9353 -15.9294 -15.9294 -12.9619 -12.9619 -12.9493 -12.9493 -12.9387 -12.9387 -4.2043 -4.2043 -4.0232 -4.0232 -1.6653 -1.6653 3.3451 3.3451 4.1528 4.1528 4.3661 4.3661 4.7786 4.7786 5.0790 5.0790 5.1872 5.1872 5.4492 5.4492 5.9246 5.9246 5.9938 5.9938 7.0630 7.0630 8.1637 8.1637 9.5861 9.5861 10.7656 10.7656 11.1441 11.1441 13.1499 13.1499 k = 0.6290 0.1953-0.6460 ( 3516 PWs) bands (ev): -15.9354 -15.9354 -15.9294 -15.9294 -12.9618 -12.9618 -12.9493 -12.9493 -12.9391 -12.9391 -4.2378 -4.2378 -4.0351 -4.0351 -1.6347 -1.6347 3.3716 3.3716 4.1569 4.1569 4.3874 4.3874 4.7650 4.7650 5.0652 5.0652 5.2086 5.2086 5.4634 5.4634 5.9487 5.9487 6.0514 6.0514 7.0040 7.0040 8.1848 8.1848 9.5952 9.5952 10.7824 10.7824 11.1605 11.1605 13.1723 13.1723 k = 0.6252 0.1941-0.6242 ( 3521 PWs) bands (ev): -15.9354 -15.9354 -15.9295 -15.9295 -12.9616 -12.9616 -12.9494 -12.9494 -12.9394 -12.9394 -4.2724 -4.2724 -4.0491 -4.0491 -1.6018 -1.6018 3.4033 3.4033 4.1600 4.1600 4.4061 4.4061 4.7482 4.7482 5.0519 5.0519 5.2295 5.2295 5.4772 5.4772 5.9733 5.9733 6.1207 6.1207 6.9495 6.9495 8.2051 8.2051 9.6044 9.6044 10.7987 10.7987 11.1788 11.1788 13.1966 13.1966 k = 0.6214 0.1930-0.6024 ( 3523 PWs) bands (ev): -15.9355 -15.9355 -15.9295 -15.9295 -12.9614 -12.9614 -12.9494 -12.9494 -12.9398 -12.9398 -4.3078 -4.3078 -4.0649 -4.0649 -1.5669 -1.5669 3.4401 3.4401 4.1621 4.1621 4.4214 4.4214 4.7296 4.7296 5.0391 5.0391 5.2488 5.2488 5.4919 5.4919 6.0009 6.0009 6.1965 6.1965 6.9013 6.9013 8.2246 8.2246 9.6134 9.6134 10.8145 10.8145 11.1986 11.1986 13.2222 13.2222 k = 0.6176 0.1918-0.5806 ( 3524 PWs) bands (ev): -15.9356 -15.9356 -15.9295 -15.9295 -12.9612 -12.9612 -12.9493 -12.9493 -12.9402 -12.9402 -4.3440 -4.3440 -4.0823 -4.0823 -1.5304 -1.5304 3.4820 3.4820 4.1632 4.1632 4.4327 4.4327 4.7106 4.7106 5.0269 5.0269 5.2653 5.2653 5.5091 5.5091 6.0318 6.0318 6.2745 6.2745 6.8624 6.8624 8.2430 8.2430 9.6221 9.6221 10.8301 10.8301 11.2194 11.2194 13.2480 13.2480 k = 0.6139 0.1906-0.5588 ( 3529 PWs) bands (ev): -15.9358 -15.9358 -15.9295 -15.9295 -12.9610 -12.9610 -12.9493 -12.9493 -12.9406 -12.9406 -4.3807 -4.3807 -4.1011 -4.1011 -1.4925 -1.4925 3.5286 3.5286 4.1633 4.1633 4.4392 4.4392 4.6921 4.6921 5.0155 5.0155 5.2784 5.2784 5.5299 5.5299 6.0656 6.0656 6.3487 6.3487 6.8378 6.8378 8.2601 8.2601 9.6302 9.6302 10.8453 10.8453 11.2412 11.2412 13.2724 13.2724 k = 0.6101 0.1894-0.5370 ( 3525 PWs) bands (ev): -15.9359 -15.9359 -15.9295 -15.9295 -12.9608 -12.9608 -12.9493 -12.9493 -12.9411 -12.9411 -4.4177 -4.4177 -4.1210 -4.1210 -1.4537 -1.4537 3.5799 3.5799 4.1624 4.1624 4.4406 4.4406 4.6751 4.6751 5.0049 5.0049 5.2882 5.2882 5.5551 5.5551 6.1020 6.1020 6.4105 6.4105 6.8356 6.8356 8.2757 8.2757 9.6374 9.6374 10.8601 10.8601 11.2637 11.2637 13.2923 13.2923 k = 0.6063 0.1882-0.5152 ( 3522 PWs) bands (ev): -15.9360 -15.9360 -15.9296 -15.9296 -12.9606 -12.9606 -12.9493 -12.9493 -12.9415 -12.9415 -4.4549 -4.4549 -4.1419 -4.1419 -1.4141 -1.4141 3.6354 3.6354 4.1606 4.1606 4.4367 4.4367 4.6599 4.6599 4.9953 4.9953 5.2951 5.2951 5.5846 5.5846 6.1405 6.1405 6.4506 6.4506 6.8646 6.8646 8.2895 8.2895 9.6436 9.6436 10.8742 10.8742 11.2867 11.2867 13.3026 13.3026 k = 0.6025 0.1871-0.4934 ( 3528 PWs) bands (ev): -15.9361 -15.9361 -15.9296 -15.9296 -12.9605 -12.9605 -12.9493 -12.9493 -12.9420 -12.9420 -4.4920 -4.4920 -4.1635 -4.1635 -1.3742 -1.3742 3.6947 3.6947 4.1577 4.1577 4.4276 4.4276 4.6466 4.6466 4.9869 4.9869 5.2998 5.2998 5.6182 5.6182 6.1805 6.1805 6.4673 6.4673 6.9263 6.9263 8.3013 8.3013 9.6484 9.6484 10.8874 10.8874 11.3101 11.3101 13.2963 13.2963 k = 0.5987 0.1859-0.4716 ( 3524 PWs) bands (ev): -15.9363 -15.9363 -15.9296 -15.9296 -12.9603 -12.9603 -12.9492 -12.9492 -12.9424 -12.9424 -4.5290 -4.5290 -4.1857 -4.1857 -1.3340 -1.3340 3.7572 3.7572 4.1541 4.1541 4.4144 4.4144 4.6350 4.6350 4.9797 4.9797 5.3032 5.3032 5.6553 5.6553 6.2213 6.2213 6.4689 6.4689 7.0127 7.0127 8.3108 8.3108 9.6518 9.6518 10.8994 10.8994 11.3334 11.3334 13.2683 13.2683 k = 0.5949 0.1847-0.4498 ( 3523 PWs) bands (ev): -15.9364 -15.9364 -15.9296 -15.9296 -12.9602 -12.9602 -12.9491 -12.9491 -12.9428 -12.9428 -4.5656 -4.5656 -4.2083 -4.2083 -1.2940 -1.2940 3.8218 3.8218 4.1495 4.1495 4.3981 4.3981 4.6244 4.6244 4.9739 4.9739 5.3061 5.3061 5.6952 5.6952 6.2614 6.2614 6.4654 6.4654 7.1145 7.1145 8.3180 8.3180 9.6534 9.6534 10.9098 10.9098 11.3563 11.3563 13.2195 13.2195 k = 0.5911 0.1835-0.4280 ( 3529 PWs) bands (ev): -15.9366 -15.9366 -15.9296 -15.9296 -12.9601 -12.9601 -12.9491 -12.9491 -12.9433 -12.9433 -4.6017 -4.6017 -4.2311 -4.2311 -1.2542 -1.2542 3.8874 3.8874 4.1441 4.1441 4.3800 4.3800 4.6149 4.6149 4.9695 4.9695 5.3094 5.3094 5.7372 5.7372 6.2981 6.2981 6.4656 6.4656 7.2252 7.2252 8.3225 8.3225 9.6530 9.6530 10.9184 10.9184 11.3779 11.3779 13.1566 13.1566 k = 0.5873 0.1824-0.4062 ( 3533 PWs) bands (ev): -15.9367 -15.9367 -15.9296 -15.9296 -12.9601 -12.9601 -12.9490 -12.9490 -12.9437 -12.9437 -4.6372 -4.6372 -4.2541 -4.2541 -1.2148 -1.2148 3.9518 3.9518 4.1380 4.1380 4.3616 4.3616 4.6066 4.6066 4.9665 4.9665 5.3137 5.3137 5.7806 5.7806 6.3271 6.3271 6.4767 6.4767 7.3410 7.3410 8.3243 8.3243 9.6503 9.6503 10.9248 10.9248 11.3972 11.3972 13.0868 13.0868 k = 0.5835 0.1812-0.3844 ( 3532 PWs) bands (ev): -15.9369 -15.9369 -15.9296 -15.9296 -12.9600 -12.9600 -12.9489 -12.9489 -12.9441 -12.9441 -4.6720 -4.6720 -4.2769 -4.2769 -1.1761 -1.1761 4.0122 4.0122 4.1314 4.1314 4.3444 4.3444 4.6006 4.6006 4.9650 4.9650 5.3199 5.3199 5.8246 5.8246 6.3458 6.3458 6.5035 6.5035 7.4595 7.4595 8.3231 8.3231 9.6452 9.6452 10.9288 10.9288 11.4127 11.4127 13.0164 13.0164 k = 0.5797 0.1800-0.3626 ( 3526 PWs) bands (ev): -15.9371 -15.9371 -15.9296 -15.9296 -12.9600 -12.9600 -12.9487 -12.9487 -12.9445 -12.9445 -4.7058 -4.7058 -4.2996 -4.2996 -1.1381 -1.1381 4.0635 4.0635 4.1250 4.1250 4.3303 4.3303 4.5990 4.5990 4.9647 4.9647 5.3286 5.3286 5.8685 5.8685 6.3574 6.3574 6.5439 6.5439 7.5790 7.5790 8.3188 8.3188 9.6372 9.6372 10.9301 10.9301 11.4227 11.4227 12.9508 12.9508 k = 0.5759 0.1788-0.3407 ( 3524 PWs) bands (ev): -15.9372 -15.9372 -15.9296 -15.9296 -12.9600 -12.9600 -12.9486 -12.9486 -12.9449 -12.9449 -4.7387 -4.7387 -4.3220 -4.3220 -1.1010 -1.1010 4.0962 4.0962 4.1231 4.1231 4.3212 4.3212 4.6048 4.6048 4.9656 4.9656 5.3407 5.3407 5.9114 5.9114 6.3676 6.3676 6.5932 6.5932 7.6978 7.6978 8.3116 8.3116 9.6262 9.6262 10.9282 10.9282 11.4256 11.4256 12.8946 12.8946 k = 0.5721 0.1776-0.3189 ( 3518 PWs) bands (ev): -15.9374 -15.9374 -15.9296 -15.9296 -12.9601 -12.9601 -12.9484 -12.9484 -12.9452 -12.9452 -4.7706 -4.7706 -4.3440 -4.3440 -1.0650 -1.0650 4.0989 4.0989 4.1331 4.1331 4.3170 4.3170 4.6215 4.6215 4.9676 4.9676 5.3570 5.3570 5.9525 5.9525 6.3806 6.3806 6.6481 6.6481 7.8146 7.8146 8.3014 8.3014 9.6117 9.6117 10.9225 10.9225 11.4200 11.4200 12.8519 12.8519 k = 0.5683 0.1765-0.2971 ( 3526 PWs) bands (ev): -15.9376 -15.9376 -15.9296 -15.9296 -12.9602 -12.9602 -12.9483 -12.9483 -12.9455 -12.9455 -4.8012 -4.8012 -4.3654 -4.3654 -1.0301 -1.0301 4.0909 4.0909 4.1367 4.1367 4.3140 4.3140 4.6507 4.6507 4.9705 4.9705 5.3786 5.3786 5.9912 5.9912 6.3988 6.3988 6.7066 6.7066 7.9274 7.9274 8.2888 8.2888 9.5936 9.5936 10.9120 10.9120 11.4060 11.4060 12.8256 12.8256 k = 0.5645 0.1753-0.2753 ( 3532 PWs) bands (ev): -15.9377 -15.9377 -15.9296 -15.9296 -12.9603 -12.9603 -12.9481 -12.9481 -12.9458 -12.9458 -4.8306 -4.8306 -4.3863 -4.3863 -0.9965 -0.9965 4.0807 4.0807 4.1309 4.1309 4.3079 4.3079 4.6903 4.6903 4.9741 4.9741 5.4066 5.4066 6.0273 6.0273 6.4233 6.4233 6.7680 6.7680 8.0334 8.0334 8.2754 8.2754 9.5716 9.5716 10.8954 10.8954 11.3851 11.3851 12.8175 12.8175 k = 0.5607 0.1741-0.2535 ( 3533 PWs) bands (ev): -15.9379 -15.9379 -15.9296 -15.9296 -12.9605 -12.9605 -12.9479 -12.9479 -12.9460 -12.9460 -4.8587 -4.8587 -4.4064 -4.4064 -0.9643 -0.9643 4.0692 4.0692 4.1198 4.1198 4.2970 4.2970 4.7358 4.7358 4.9785 4.9785 5.4417 5.4417 6.0610 6.0610 6.4545 6.4545 6.8316 6.8316 8.1247 8.1247 8.2674 8.2674 9.5454 9.5454 10.8711 10.8711 11.3606 11.3606 12.8274 12.8274 k = 0.5569 0.1729-0.2317 ( 3534 PWs) bands (ev): -15.9380 -15.9380 -15.9296 -15.9296 -12.9607 -12.9607 -12.9478 -12.9478 -12.9463 -12.9463 -4.8854 -4.8854 -4.4257 -4.4257 -0.9334 -0.9334 4.0566 4.0566 4.1066 4.1066 4.2821 4.2821 4.7821 4.7821 4.9834 4.9834 5.4845 5.4845 6.0934 6.0934 6.4921 6.4921 6.8969 6.8969 8.1730 8.1730 8.2917 8.2917 9.5148 9.5148 10.8376 10.8376 11.3372 11.3372 12.8541 12.8541 k = 0.5531 0.1718-0.2099 ( 3536 PWs) bands (ev): -15.9382 -15.9382 -15.9296 -15.9296 -12.9609 -12.9609 -12.9477 -12.9477 -12.9464 -12.9464 -4.9106 -4.9106 -4.4441 -4.4441 -0.9042 -0.9042 4.0428 4.0428 4.0930 4.0930 4.2646 4.2646 4.8252 4.8252 4.9889 4.9889 5.5346 5.5346 6.1263 6.1263 6.5353 6.5353 6.9636 6.9636 8.1675 8.1675 8.3575 8.3575 9.4794 9.4794 10.7949 10.7949 11.3191 11.3191 12.8947 12.8947 k = 0.5493 0.1706-0.1881 ( 3539 PWs) bands (ev): -15.9383 -15.9383 -15.9296 -15.9296 -12.9611 -12.9611 -12.9476 -12.9476 -12.9465 -12.9465 -4.9343 -4.9343 -4.4616 -4.4616 -0.8765 -0.8765 4.0282 4.0282 4.0798 4.0798 4.2456 4.2456 4.8630 4.8630 4.9950 4.9950 5.5902 5.5902 6.1621 6.1621 6.5831 6.5831 7.0312 7.0312 8.1433 8.1433 8.4280 8.4280 9.4391 9.4391 10.7445 10.7445 11.3088 11.3088 12.9454 12.9454 k = 0.5455 0.1694-0.1663 ( 3533 PWs) bands (ev): -15.9385 -15.9385 -15.9296 -15.9296 -12.9613 -12.9613 -12.9476 -12.9476 -12.9465 -12.9465 -4.9564 -4.9564 -4.4780 -4.4780 -0.8505 -0.8505 4.0130 4.0130 4.0674 4.0674 4.2263 4.2263 4.8944 4.8944 5.0015 5.0015 5.6485 5.6485 6.2035 6.2035 6.6345 6.6345 7.0995 7.0995 8.1126 8.1126 8.4894 8.4894 9.3935 9.3935 10.6901 10.6901 11.3073 11.3073 13.0007 13.0007 k = 0.5417 0.1682-0.1445 ( 3534 PWs) bands (ev): -15.9386 -15.9386 -15.9296 -15.9296 -12.9615 -12.9615 -12.9476 -12.9476 -12.9464 -12.9464 -4.9769 -4.9769 -4.4934 -4.4934 -0.8263 -0.8263 3.9976 3.9976 4.0559 4.0559 4.2073 4.2073 4.9196 4.9196 5.0085 5.0085 5.7056 5.7056 6.2537 6.2537 6.6884 6.6884 7.1676 7.1676 8.0781 8.0781 8.5374 8.5374 9.3423 9.3423 10.6361 10.6361 11.3140 11.3140 13.0515 13.0515 k = 0.5380 0.1670-0.1227 ( 3538 PWs) bands (ev): -15.9387 -15.9387 -15.9295 -15.9295 -12.9618 -12.9618 -12.9477 -12.9477 -12.9463 -12.9463 -4.9958 -4.9958 -4.5076 -4.5076 -0.8040 -0.8040 3.9825 3.9825 4.0451 4.0451 4.1892 4.1892 4.9392 4.9392 5.0158 5.0158 5.7579 5.7579 6.3150 6.3150 6.7441 6.7441 7.2351 7.2351 8.0413 8.0413 8.5699 8.5699 9.2855 9.2855 10.5867 10.5867 11.3281 11.3281 13.0833 13.0833 k = 0.5342 0.1659-0.1009 ( 3541 PWs) bands (ev): -15.9389 -15.9389 -15.9295 -15.9295 -12.9620 -12.9620 -12.9478 -12.9478 -12.9461 -12.9461 -5.0130 -5.0130 -4.5206 -4.5206 -0.7835 -0.7835 3.9679 3.9679 4.0349 4.0349 4.1724 4.1724 4.9542 4.9542 5.0233 5.0233 5.8026 5.8026 6.3886 6.3886 6.8008 6.8008 7.3008 7.3008 8.0031 8.0031 8.5856 8.5856 9.2233 9.2233 10.5452 10.5452 11.3483 11.3483 13.0840 13.0840 k = 0.5304 0.1647-0.0791 ( 3543 PWs) bands (ev): -15.9390 -15.9390 -15.9295 -15.9295 -12.9622 -12.9622 -12.9479 -12.9479 -12.9460 -12.9460 -5.0284 -5.0284 -4.5323 -4.5323 -0.7651 -0.7651 3.9543 3.9543 4.0255 4.0255 4.1572 4.1572 4.9655 4.9655 5.0305 5.0305 5.8388 5.8388 6.4739 6.4739 6.8576 6.8576 7.3633 7.3633 7.9649 7.9649 8.5845 8.5845 9.1567 9.1567 10.5134 10.5134 11.3734 11.3734 13.0567 13.0567 k = 0.5266 0.1635-0.0572 ( 3541 PWs) bands (ev): -15.9390 -15.9390 -15.9295 -15.9295 -12.9624 -12.9624 -12.9480 -12.9480 -12.9458 -12.9458 -5.0421 -5.0421 -4.5428 -4.5428 -0.7486 -0.7486 3.9417 3.9417 4.0167 4.0167 4.1439 4.1439 4.9741 4.9741 5.0372 5.0372 5.8671 5.8671 6.5685 6.5685 6.9138 6.9138 7.4203 7.4203 7.9287 7.9287 8.5671 8.5671 9.0874 9.0874 10.4915 10.4915 11.4021 11.4021 13.0141 13.0141 k = 0.5228 0.1623-0.0354 ( 3545 PWs) bands (ev): -15.9391 -15.9391 -15.9295 -15.9295 -12.9625 -12.9625 -12.9480 -12.9480 -12.9457 -12.9457 -5.0540 -5.0540 -4.5520 -4.5520 -0.7342 -0.7342 3.9304 3.9304 4.0088 4.0088 4.1323 4.1323 4.9807 4.9807 5.0431 5.0431 5.8886 5.8886 6.6693 6.6693 6.9685 6.9685 7.4681 7.4681 7.8978 7.8978 8.5348 8.5348 9.0183 9.0183 10.4784 10.4784 11.4330 11.4330 12.9657 12.9657 k = 0.5190 0.1611-0.0136 ( 3549 PWs) bands (ev): -15.9392 -15.9392 -15.9295 -15.9295 -12.9627 -12.9627 -12.9481 -12.9481 -12.9456 -12.9456 -5.0642 -5.0642 -4.5598 -4.5598 -0.7220 -0.7220 3.9206 3.9206 4.0018 4.0018 4.1227 4.1227 4.9858 4.9858 5.0482 5.0482 5.9048 5.9048 6.7728 6.7728 7.0205 7.0205 7.5013 7.5013 7.8769 7.8769 8.4901 8.4901 8.9525 8.9525 10.4722 10.4722 11.4644 11.4644 12.9173 12.9173 k = 0.5152 0.1600 0.0082 ( 3552 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9628 -12.9628 -12.9482 -12.9482 -12.9455 -12.9455 -5.0725 -5.0725 -4.5662 -4.5662 -0.7119 -0.7119 3.9124 3.9124 3.9958 3.9958 4.1149 4.1149 4.9896 4.9896 5.0524 5.0524 5.9167 5.9167 6.8752 6.8752 7.0683 7.0683 7.5140 7.5140 7.8715 7.8715 8.4364 8.4364 8.8934 8.8934 10.4709 10.4709 11.4944 11.4944 12.8726 12.8726 k = 0.5114 0.1588 0.0300 ( 3554 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9629 -12.9629 -12.9482 -12.9482 -12.9454 -12.9454 -5.0789 -5.0789 -4.5712 -4.5712 -0.7040 -0.7040 3.9059 3.9059 3.9910 3.9910 4.1090 4.1090 4.9924 4.9924 5.0556 5.0556 5.9252 5.9252 6.9718 6.9718 7.1100 7.1100 7.5048 7.5048 7.8821 7.8821 8.3792 8.3792 8.8439 8.8439 10.4721 10.4721 11.5210 11.5210 12.8343 12.8343 k = 0.5076 0.1576 0.0518 ( 3551 PWs) bands (ev): -15.9393 -15.9393 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9454 -12.9454 -5.0836 -5.0836 -4.5748 -4.5748 -0.6984 -0.6984 3.9011 3.9011 3.9875 3.9875 4.1048 4.1048 4.9943 4.9943 5.0579 5.0579 5.9310 5.9310 7.0566 7.0566 7.1431 7.1431 7.4798 7.4798 7.9027 7.9027 8.3258 8.3258 8.8065 8.8065 10.4743 10.4743 11.5421 11.5421 12.8049 12.8049 k = 0.5038 0.1564 0.0736 ( 3553 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0863 -5.0863 -4.5769 -4.5769 -0.6950 -0.6950 3.8983 3.8983 3.9854 3.9854 4.1023 4.1023 4.9954 4.9954 5.0593 5.0593 5.9343 5.9343 7.1188 7.1188 7.1657 7.1657 7.4514 7.4514 7.9226 7.9226 8.2862 8.2862 8.7831 8.7831 10.4761 10.4761 11.5556 11.5556 12.7864 12.7864 k = 0.5000 0.1553 0.0954 ( 3554 PWs) bands (ev): -15.9394 -15.9394 -15.9295 -15.9295 -12.9630 -12.9630 -12.9482 -12.9482 -12.9453 -12.9453 -5.0873 -5.0873 -4.5777 -4.5777 -0.6938 -0.6938 3.8973 3.8973 3.9847 3.9847 4.1015 4.1015 4.9958 4.9958 5.0597 5.0597 5.9353 5.9353 7.1421 7.1421 7.1749 7.1749 7.4380 7.4380 7.9310 7.9310 8.2711 8.2711 8.7751 8.7751 10.4768 10.4768 11.5603 11.5603 12.7801 12.7801 k = 0.5000-0.7275-0.4470 ( 3518 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0414 -4.0414 -4.0080 -4.0080 -1.7065 -1.7065 3.1295 3.1295 3.7220 3.7220 4.0564 4.0564 5.0014 5.0014 5.1993 5.1993 5.3627 5.3627 5.5592 5.5592 6.1801 6.1801 6.3593 6.3593 6.8394 6.8394 7.1023 7.1023 9.0093 9.0093 11.4091 11.4091 12.0927 12.0927 13.2071 13.2071 k = 0.5183-0.7184-0.4414 ( 3515 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0412 -4.0412 -4.0080 -4.0080 -1.7069 -1.7069 3.1307 3.1307 3.7231 3.7231 4.0569 4.0569 5.0006 5.0006 5.1988 5.1988 5.3586 5.3586 5.5612 5.5612 6.1750 6.1750 6.3597 6.3597 6.8500 6.8500 7.0974 7.0974 9.0150 9.0150 11.4039 11.4039 12.0851 12.0851 13.2092 13.2092 k = 0.5366-0.7092-0.4358 ( 3515 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0408 -4.0408 -4.0082 -4.0082 -1.7084 -1.7084 3.1344 3.1344 3.7266 3.7266 4.0586 4.0586 4.9981 4.9981 5.1971 5.1971 5.3473 5.3473 5.5663 5.5663 6.1585 6.1585 6.3638 6.3638 6.8795 6.8795 7.0835 7.0835 9.0316 9.0316 11.3885 11.3885 12.0628 12.0628 13.2150 13.2150 k = 0.5549-0.7001-0.4302 ( 3507 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0402 -4.0402 -4.0085 -4.0085 -1.7107 -1.7107 3.1404 3.1404 3.7326 3.7326 4.0614 4.0614 4.9937 4.9937 5.1942 5.1942 5.3311 5.3311 5.5730 5.5730 6.1296 6.1296 6.3763 6.3763 6.9209 6.9209 7.0640 7.0640 9.0586 9.0586 11.3633 11.3633 12.0269 12.0269 13.2231 13.2231 k = 0.5732-0.6910-0.4246 ( 3503 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9372 -12.9372 -4.0392 -4.0392 -4.0089 -4.0089 -1.7140 -1.7140 3.1485 3.1485 3.7411 3.7411 4.0652 4.0652 4.9871 4.9871 5.1897 5.1897 5.3127 5.3127 5.5796 5.5796 6.0901 6.0901 6.3984 6.3984 6.9571 6.9571 7.0534 7.0534 9.0946 9.0946 11.3292 11.3292 11.9792 11.9792 13.2319 13.2319 k = 0.5915-0.6818-0.4190 ( 3497 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0380 -4.0380 -4.0094 -4.0094 -1.7180 -1.7180 3.1583 3.1583 3.7524 3.7524 4.0701 4.0701 4.9782 4.9782 5.1834 5.1834 5.2946 5.2946 5.5851 5.5851 6.0437 6.0437 6.4277 6.4277 6.9533 6.9533 7.0858 7.0858 9.1381 9.1381 11.2870 11.2870 11.9215 11.9215 13.2394 13.2394 k = 0.6098-0.6727-0.4134 ( 3499 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0366 -4.0366 -4.0101 -4.0101 -1.7227 -1.7227 3.1696 3.1696 3.7666 3.7666 4.0761 4.0761 4.9665 4.9665 5.1751 5.1751 5.2786 5.2786 5.5886 5.5886 5.9938 5.9938 6.4599 6.4599 6.9231 6.9231 7.1490 7.1490 9.1877 9.1877 11.2379 11.2379 11.8557 11.8557 13.2441 13.2441 k = 0.6281-0.6636-0.4078 ( 3503 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0349 -4.0349 -4.0111 -4.0111 -1.7279 -1.7279 3.1818 3.1818 3.7840 3.7840 4.0830 4.0830 4.9518 4.9518 5.1653 5.1653 5.2656 5.2656 5.5896 5.5896 5.9430 5.9430 6.4881 6.4881 6.8922 6.8922 7.2224 7.2224 9.2415 9.2415 11.1834 11.1834 11.7835 11.7835 13.2447 13.2447 k = 0.6464-0.6544-0.4022 ( 3503 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0330 -4.0330 -4.0122 -4.0122 -1.7336 -1.7336 3.1947 3.1947 3.8047 3.8047 4.0910 4.0910 4.9340 4.9340 5.1549 5.1549 5.2556 5.2556 5.5872 5.5872 5.8935 5.8935 6.5026 6.5026 6.8745 6.8745 7.3005 7.3005 9.2976 9.2976 11.1247 11.1247 11.7065 11.7065 13.2407 13.2407 k = 0.6648-0.6453-0.3965 ( 3500 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0309 -4.0309 -4.0135 -4.0135 -1.7395 -1.7395 3.2077 3.2077 3.8288 3.8288 4.0999 4.0999 4.9135 4.9135 5.1448 5.1448 5.2480 5.2480 5.5804 5.5804 5.8476 5.8476 6.4937 6.4937 6.8811 6.8811 7.3814 7.3814 9.3541 9.3541 11.0637 11.0637 11.6263 11.6263 13.2318 13.2318 k = 0.6831-0.6362-0.3909 ( 3508 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0288 -4.0288 -4.0149 -4.0149 -1.7456 -1.7456 3.2206 3.2206 3.8563 3.8563 4.1098 4.1098 4.8905 4.8905 5.1356 5.1356 5.2420 5.2420 5.5678 5.5678 5.8073 5.8073 6.4597 6.4597 6.9142 6.9142 7.4640 7.4640 9.4089 9.4089 11.0019 11.0019 11.5443 11.5443 13.2185 13.2185 k = 0.7014-0.6270-0.3853 ( 3505 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0272 -4.0272 -4.0159 -4.0159 -1.7517 -1.7517 3.2329 3.2329 3.8870 3.8870 4.1208 4.1208 4.8658 4.8658 5.1279 5.1279 5.2369 5.2369 5.5481 5.5481 5.7749 5.7749 6.4075 6.4075 6.9675 6.9675 7.5476 7.5476 9.4597 9.4597 10.9411 10.9411 11.4621 11.4621 13.2012 13.2012 k = 0.7197-0.6179-0.3797 ( 3501 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0270 -4.0270 -4.0157 -4.0157 -1.7577 -1.7577 3.2446 3.2446 3.9206 3.9206 4.1328 4.1328 4.8400 4.8400 5.1215 5.1215 5.2323 5.2323 5.5210 5.5210 5.7512 5.7512 6.3446 6.3446 7.0339 7.0339 7.6315 7.6315 9.5038 9.5038 10.8831 10.8831 11.3816 11.3816 13.1809 13.1809 k = 0.7380-0.6088-0.3741 ( 3507 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9373 -12.9373 -4.0288 -4.0288 -4.0138 -4.0138 -1.7633 -1.7633 3.2555 3.2555 3.9563 3.9563 4.1463 4.1463 4.8137 4.8137 5.1164 5.1164 5.2274 5.2274 5.4879 5.4879 5.7355 5.7355 6.2761 6.2761 7.1088 7.1088 7.7152 7.7152 9.5385 9.5385 10.8291 10.8291 11.3050 11.3050 13.1583 13.1583 k = 0.7563-0.5996-0.3685 ( 3502 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0320 -4.0320 -4.0106 -4.0106 -1.7684 -1.7684 3.2655 3.2655 3.9929 3.9929 4.1615 4.1615 4.7876 4.7876 5.1123 5.1123 5.2218 5.2218 5.4512 5.4512 5.7261 5.7261 6.2052 6.2052 7.1895 7.1895 7.7980 7.7980 9.5611 9.5611 10.7799 10.7799 11.2352 11.2352 13.1344 13.1344 k = 0.7746-0.5905-0.3629 ( 3502 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0362 -4.0362 -4.0068 -4.0068 -1.7730 -1.7730 3.2747 3.2747 4.0290 4.0290 4.1794 4.1794 4.7619 4.7619 5.1090 5.1090 5.2147 5.2147 5.4138 5.4138 5.7213 5.7213 6.1340 6.1340 7.2743 7.2743 7.8792 7.8792 9.5695 9.5695 10.7348 10.7348 11.1760 11.1760 13.1099 13.1099 k = 0.7929-0.5814-0.3573 ( 3501 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0411 -4.0411 -4.0025 -4.0025 -1.7769 -1.7769 3.2832 3.2832 4.0623 4.0623 4.2011 4.2011 4.7372 4.7372 5.1062 5.1062 5.2050 5.2050 5.3785 5.3785 5.7199 5.7199 6.0643 6.0643 7.3620 7.3620 7.9580 7.9580 9.5624 9.5624 10.6916 10.6916 11.1315 11.1315 13.0855 13.0855 k = 0.8112-0.5723-0.3516 ( 3501 PWs) bands (ev): -15.9350 -15.9350 -15.9293 -15.9293 -12.9627 -12.9627 -12.9493 -12.9493 -12.9374 -12.9374 -4.0468 -4.0468 -3.9979 -3.9979 -1.7799 -1.7799 3.2910 3.2910 4.0906 4.0906 4.2273 4.2273 4.7136 4.7136 5.1034 5.1034 5.1916 5.1916 5.3479 5.3479 5.7210 5.7210 5.9976 5.9976 7.4516 7.4516 8.0337 8.0337 9.5401 9.5401 10.6474 10.6474 11.1054 11.1054 13.0618 13.0618 Writing output data file AgBiSe2.save init_run : 0.52s CPU 0.83s WALL ( 1 calls) electrons : 135.09s CPU 136.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 135.09s CPU 136.66s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 297 calls) cegterg : 121.34s CPU 122.55s WALL ( 311 calls) Called by sum_band: Called by *egterg: h_psi : 94.78s CPU 95.73s WALL ( 5714 calls) s_psi : 2.92s CPU 3.06s WALL ( 5714 calls) g_psi : 0.14s CPU 0.13s WALL ( 5106 calls) cdiaghg : 27.16s CPU 27.57s WALL ( 5403 calls) cegterg:over : 3.16s CPU 3.11s WALL ( 5106 calls) cegterg:upda : 2.60s CPU 2.61s WALL ( 5106 calls) cegterg:last : 1.52s CPU 1.49s WALL ( 905 calls) cdiaghg:chol : 1.60s CPU 1.57s WALL ( 5403 calls) cdiaghg:inve : 0.86s CPU 0.91s WALL ( 5403 calls) cdiaghg:para : 1.55s CPU 1.62s WALL ( 10806 calls) Called by h_psi: h_psi:vloc : 89.73s CPU 90.68s WALL ( 5714 calls) h_psi:vnl : 4.96s CPU 4.93s WALL ( 5714 calls) add_vuspsi : 2.42s CPU 2.44s WALL ( 5714 calls) General routines calbec : 2.52s CPU 2.47s WALL ( 5714 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.50s CPU 80.17s WALL ( 511944 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 594 calls) Parallel routines fft_scatter : 20.53s CPU 20.72s WALL ( 511967 calls) PWSCF : 2m28.34s CPU 2m46.07s WALL This run was terminated on: 18:23:48 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=