Program PWSCF v.5.1.1 starts on 27Jul2015 at 20: 5:11 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./AsI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 70 19 2191 2039 300 Max 74 71 20 2194 2053 303 Sum 2341 2249 617 70169 65465 9633 bravais-lattice index = 14 lattice parameter (alat) = 15.5828 a.u. unit-cell volume = 2154.1263 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 155.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.582827 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.619552 celldm(5)= 0.619552 celldm(6)= 0.619552 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.619552 0.784956 0.000000 ) a(3) = ( 0.619552 0.300281 0.725249 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.789283 -0.527467 ) b(2) = ( 0.000000 1.273957 -0.527467 ) b(3) = ( 0.000000 0.000000 1.378836 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 As 5.00 74.92160 As( 1.00) I 7.00 126.90450 I( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 195 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 2) = ( 0.0185185 -0.0146163 -0.0097679), wk = 0.0051282 k( 3) = ( 0.0370370 -0.0292327 -0.0195358), wk = 0.0051282 k( 4) = ( 0.0555556 -0.0438490 -0.0293037), wk = 0.0051282 k( 5) = ( 0.0740741 -0.0584654 -0.0390716), wk = 0.0051282 k( 6) = ( 0.0925926 -0.0730817 -0.0488396), wk = 0.0051282 k( 7) = ( 0.1111111 -0.0876981 -0.0586075), wk = 0.0051282 k( 8) = ( 0.1296296 -0.1023144 -0.0683754), wk = 0.0051282 k( 9) = ( 0.1481482 -0.1169308 -0.0781433), wk = 0.0051282 k( 10) = ( 0.1666667 -0.1315471 -0.0879112), wk = 0.0051282 k( 11) = ( 0.1851852 -0.1461635 -0.0976791), wk = 0.0051282 k( 12) = ( 0.2037037 -0.1607798 -0.1074470), wk = 0.0051282 k( 13) = ( 0.2222222 -0.1753962 -0.1172149), wk = 0.0051282 k( 14) = ( 0.2407407 -0.1900125 -0.1269829), wk = 0.0051282 k( 15) = ( 0.2592593 -0.2046289 -0.1367508), wk = 0.0051282 k( 16) = ( 0.2777778 -0.2192452 -0.1465187), wk = 0.0051282 k( 17) = ( 0.2962963 -0.2338616 -0.1562866), wk = 0.0051282 k( 18) = ( 0.3148148 -0.2484779 -0.1660545), wk = 0.0051282 k( 19) = ( 0.3333333 -0.2630943 -0.1758224), wk = 0.0051282 k( 20) = ( 0.3518519 -0.2777106 -0.1855903), wk = 0.0051282 k( 21) = ( 0.3703704 -0.2923270 -0.1953583), wk = 0.0051282 k( 22) = ( 0.3888889 -0.3069433 -0.2051262), wk = 0.0051282 k( 23) = ( 0.4074074 -0.3215597 -0.2148941), wk = 0.0051282 k( 24) = ( 0.4259259 -0.3361760 -0.2246620), wk = 0.0051282 k( 25) = ( 0.4444444 -0.3507924 -0.2344299), wk = 0.0051282 k( 26) = ( 0.4629630 -0.3654087 -0.2441978), wk = 0.0051282 k( 27) = ( 0.4814815 -0.3800251 -0.2539657), wk = 0.0051282 k( 28) = ( 0.5000000 -0.3946414 -0.2637336), wk = 0.0051282 k( 29) = ( 0.5000000 -0.3946414 -0.2637336), wk = 0.0051282 k( 30) = ( 0.5000000 -0.3804175 -0.2850179), wk = 0.0051282 k( 31) = ( 0.5000000 -0.3661935 -0.3063021), wk = 0.0051282 k( 32) = ( 0.5000000 -0.3519695 -0.3275863), wk = 0.0051282 k( 33) = ( 0.5000000 -0.3377456 -0.3488705), wk = 0.0051282 k( 34) = ( 0.5000000 -0.3235216 -0.3701547), wk = 0.0051282 k( 35) = ( 0.5000000 -0.3092976 -0.3914390), wk = 0.0051282 k( 36) = ( 0.5000000 -0.2950737 -0.4127232), wk = 0.0051282 k( 37) = ( 0.5000000 -0.2808497 -0.4340074), wk = 0.0051282 k( 38) = ( 0.5000000 -0.2666257 -0.4552916), wk = 0.0051282 k( 39) = ( 0.5000000 -0.2524018 -0.4765758), wk = 0.0051282 k( 40) = ( 0.5000000 -0.2381778 -0.4978601), wk = 0.0051282 k( 41) = ( 0.5000000 -0.2239538 -0.5191443), wk = 0.0051282 k( 42) = ( 0.5000000 -0.2097299 -0.5404285), wk = 0.0051282 k( 43) = ( 0.5000000 -0.1955059 -0.5617128), wk = 0.0051282 k( 44) = ( 0.5000000 -0.1812820 -0.5829970), wk = 0.0051282 k( 45) = ( 0.5000000 -0.1670580 -0.6042812), wk = 0.0051282 k( 46) = ( 0.5000000 -0.1528340 -0.6255654), wk = 0.0051282 k( 47) = ( 0.5000000 -0.1386101 -0.6468496), wk = 0.0051282 k( 48) = ( 0.5000000 -0.1243861 -0.6681339), wk = 0.0051282 k( 49) = ( 0.5000000 -0.1101621 -0.6894181), wk = 0.0051282 k( 50) = ( 0.7766964 0.0239456 -0.3655165), wk = 0.0051282 k( 51) = ( 0.7656285 0.0326812 -0.3444178), wk = 0.0051282 k( 52) = ( 0.7545607 0.0414169 -0.3233191), wk = 0.0051282 k( 53) = ( 0.7434928 0.0501526 -0.3022204), wk = 0.0051282 k( 54) = ( 0.7324250 0.0588882 -0.2811217), wk = 0.0051282 k( 55) = ( 0.7213571 0.0676239 -0.2600230), wk = 0.0051282 k( 56) = ( 0.7102893 0.0763596 -0.2389243), wk = 0.0051282 k( 57) = ( 0.6992214 0.0850952 -0.2178256), wk = 0.0051282 k( 58) = ( 0.6881536 0.0938309 -0.1967270), wk = 0.0051282 k( 59) = ( 0.6770857 0.1025666 -0.1756283), wk = 0.0051282 k( 60) = ( 0.6660178 0.1113022 -0.1545296), wk = 0.0051282 k( 61) = ( 0.6549500 0.1200379 -0.1334309), wk = 0.0051282 k( 62) = ( 0.6438821 0.1287736 -0.1123322), wk = 0.0051282 k( 63) = ( 0.6328143 0.1375092 -0.0912335), wk = 0.0051282 k( 64) = ( 0.6217464 0.1462449 -0.0701348), wk = 0.0051282 k( 65) = ( 0.6106786 0.1549806 -0.0490361), wk = 0.0051282 k( 66) = ( 0.5996107 0.1637163 -0.0279374), wk = 0.0051282 k( 67) = ( 0.5885428 0.1724519 -0.0068387), wk = 0.0051282 k( 68) = ( 0.5774750 0.1811876 0.0142600), wk = 0.0051282 k( 69) = ( 0.5664071 0.1899233 0.0353587), wk = 0.0051282 k( 70) = ( 0.5553393 0.1986589 0.0564573), wk = 0.0051282 k( 71) = ( 0.5442714 0.2073946 0.0775560), wk = 0.0051282 k( 72) = ( 0.5332036 0.2161303 0.0986547), wk = 0.0051282 k( 73) = ( 0.5221357 0.2248659 0.1197534), wk = 0.0051282 k( 74) = ( 0.5110679 0.2336016 0.1408521), wk = 0.0051282 k( 75) = ( 0.5000000 0.2423373 0.1619508), wk = 0.0051282 k( 76) = ( 0.5000000 0.2423373 0.1619508), wk = 0.0051282 k( 77) = ( 0.4782609 0.2318009 0.1549095), wk = 0.0051282 k( 78) = ( 0.4565217 0.2212645 0.1478681), wk = 0.0051282 k( 79) = ( 0.4347826 0.2107281 0.1408268), wk = 0.0051282 k( 80) = ( 0.4130435 0.2001917 0.1337854), wk = 0.0051282 k( 81) = ( 0.3913044 0.1896553 0.1267441), wk = 0.0051282 k( 82) = ( 0.3695652 0.1791189 0.1197028), wk = 0.0051282 k( 83) = ( 0.3478261 0.1685825 0.1126614), wk = 0.0051282 k( 84) = ( 0.3260870 0.1580460 0.1056201), wk = 0.0051282 k( 85) = ( 0.3043478 0.1475096 0.0985787), wk = 0.0051282 k( 86) = ( 0.2826087 0.1369732 0.0915374), wk = 0.0051282 k( 87) = ( 0.2608696 0.1264368 0.0844961), wk = 0.0051282 k( 88) = ( 0.2391304 0.1159004 0.0774547), wk = 0.0051282 k( 89) = ( 0.2173913 0.1053640 0.0704134), wk = 0.0051282 k( 90) = ( 0.1956522 0.0948276 0.0633720), wk = 0.0051282 k( 91) = ( 0.1739130 0.0842912 0.0563307), wk = 0.0051282 k( 92) = ( 0.1521739 0.0737548 0.0492894), wk = 0.0051282 k( 93) = ( 0.1304348 0.0632184 0.0422480), wk = 0.0051282 k( 94) = ( 0.1086957 0.0526820 0.0352067), wk = 0.0051282 k( 95) = ( 0.0869565 0.0421456 0.0281654), wk = 0.0051282 k( 96) = ( 0.0652174 0.0316092 0.0211240), wk = 0.0051282 k( 97) = ( 0.0434783 0.0210728 0.0140827), wk = 0.0051282 k( 98) = ( 0.0217391 0.0105364 0.0070413), wk = 0.0051282 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 101) = ( 0.0113016 -0.0089202 -0.0215443), wk = 0.0051282 k( 102) = ( 0.0226032 -0.0178403 -0.0430886), wk = 0.0051282 k( 103) = ( 0.0339049 -0.0267605 -0.0646330), wk = 0.0051282 k( 104) = ( 0.0452065 -0.0356807 -0.0861773), wk = 0.0051282 k( 105) = ( 0.0565081 -0.0446009 -0.1077216), wk = 0.0051282 k( 106) = ( 0.0678097 -0.0535210 -0.1292659), wk = 0.0051282 k( 107) = ( 0.0791113 -0.0624412 -0.1508102), wk = 0.0051282 k( 108) = ( 0.0904130 -0.0713614 -0.1723545), wk = 0.0051282 k( 109) = ( 0.1017146 -0.0802816 -0.1938988), wk = 0.0051282 k( 110) = ( 0.1130162 -0.0892017 -0.2154432), wk = 0.0051282 k( 111) = ( 0.1243178 -0.0981219 -0.2369875), wk = 0.0051282 k( 112) = ( 0.1356194 -0.1070421 -0.2585318), wk = 0.0051282 k( 113) = ( 0.1469210 -0.1159623 -0.2800761), wk = 0.0051282 k( 114) = ( 0.1582227 -0.1248824 -0.3016204), wk = 0.0051282 k( 115) = ( 0.1695243 -0.1338026 -0.3231647), wk = 0.0051282 k( 116) = ( 0.1808259 -0.1427228 -0.3447090), wk = 0.0051282 k( 117) = ( 0.1921275 -0.1516430 -0.3662533), wk = 0.0051282 k( 118) = ( 0.2034291 -0.1605631 -0.3877977), wk = 0.0051282 k( 119) = ( 0.2147308 -0.1694833 -0.4093420), wk = 0.0051282 k( 120) = ( 0.2260324 -0.1784035 -0.4308863), wk = 0.0051282 k( 121) = ( 0.2373340 -0.1873237 -0.4524306), wk = 0.0051282 k( 122) = ( 0.2486356 -0.1962438 -0.4739749), wk = 0.0051282 k( 123) = ( 0.2599372 -0.2051640 -0.4955192), wk = 0.0051282 k( 124) = ( 0.2712388 -0.2140842 -0.5170635), wk = 0.0051282 k( 125) = ( 0.2825405 -0.2230043 -0.5386079), wk = 0.0051282 k( 126) = ( 0.2938421 -0.2319245 -0.5601522), wk = 0.0051282 k( 127) = ( 0.3051437 -0.2408447 -0.5816965), wk = 0.0051282 k( 128) = ( 0.3164453 -0.2497649 -0.6032408), wk = 0.0051282 k( 129) = ( 0.3277469 -0.2586850 -0.6247851), wk = 0.0051282 k( 130) = ( 0.3390486 -0.2676052 -0.6463295), wk = 0.0051282 k( 131) = ( 0.3503502 -0.2765254 -0.6678738), wk = 0.0051282 k( 132) = ( 0.3616518 -0.2854456 -0.6894181), wk = 0.0051282 k( 133) = ( 0.6383482 -0.0431083 -0.5274673), wk = 0.0051282 k( 134) = ( 0.6277060 -0.0211509 -0.5274673), wk = 0.0051282 k( 135) = ( 0.6170639 0.0008064 -0.5274673), wk = 0.0051282 k( 136) = ( 0.6064217 0.0227638 -0.5274673), wk = 0.0051282 k( 137) = ( 0.5957795 0.0447211 -0.5274673), wk = 0.0051282 k( 138) = ( 0.5851374 0.0666785 -0.5274673), wk = 0.0051282 k( 139) = ( 0.5744952 0.0886358 -0.5274673), wk = 0.0051282 k( 140) = ( 0.5638530 0.1105932 -0.5274673), wk = 0.0051282 k( 141) = ( 0.5532108 0.1325505 -0.5274673), wk = 0.0051282 k( 142) = ( 0.5425687 0.1545079 -0.5274673), wk = 0.0051282 k( 143) = ( 0.5319265 0.1764652 -0.5274673), wk = 0.0051282 k( 144) = ( 0.5212843 0.1984226 -0.5274673), wk = 0.0051282 k( 145) = ( 0.5106422 0.2203799 -0.5274673), wk = 0.0051282 k( 146) = ( 0.5000000 0.2423373 -0.5274673), wk = 0.0051282 k( 147) = ( 0.5000000 0.2423373 -0.5274673), wk = 0.0051282 k( 148) = ( 0.5153720 0.2497877 -0.5094727), wk = 0.0051282 k( 149) = ( 0.5307440 0.2572381 -0.4914782), wk = 0.0051282 k( 150) = ( 0.5461161 0.2646886 -0.4734837), wk = 0.0051282 k( 151) = ( 0.5614881 0.2721390 -0.4554891), wk = 0.0051282 k( 152) = ( 0.5768601 0.2795894 -0.4374946), wk = 0.0051282 k( 153) = ( 0.5922321 0.2870398 -0.4195001), wk = 0.0051282 k( 154) = ( 0.6076042 0.2944903 -0.4015056), wk = 0.0051282 k( 155) = ( 0.6229762 0.3019407 -0.3835110), wk = 0.0051282 k( 156) = ( 0.6383482 0.3093911 -0.3655165), wk = 0.0051282 k( 157) = ( 0.6383482 0.3093911 -0.3655165), wk = 0.0051282 k( 158) = ( 0.6317602 0.3061981 -0.3403990), wk = 0.0051282 k( 159) = ( 0.6251722 0.3030050 -0.3152815), wk = 0.0051282 k( 160) = ( 0.6185842 0.2998120 -0.2901640), wk = 0.0051282 k( 161) = ( 0.6119962 0.2966190 -0.2650465), wk = 0.0051282 k( 162) = ( 0.6054082 0.2934259 -0.2399290), wk = 0.0051282 k( 163) = ( 0.5988201 0.2902329 -0.2148115), wk = 0.0051282 k( 164) = ( 0.5922321 0.2870398 -0.1896941), wk = 0.0051282 k( 165) = ( 0.5856441 0.2838468 -0.1645766), wk = 0.0051282 k( 166) = ( 0.5790561 0.2806538 -0.1394591), wk = 0.0051282 k( 167) = ( 0.5724681 0.2774607 -0.1143416), wk = 0.0051282 k( 168) = ( 0.5658801 0.2742677 -0.0892241), wk = 0.0051282 k( 169) = ( 0.5592921 0.2710746 -0.0641066), wk = 0.0051282 k( 170) = ( 0.5527041 0.2678816 -0.0389891), wk = 0.0051282 k( 171) = ( 0.5461161 0.2646886 -0.0138716), wk = 0.0051282 k( 172) = ( 0.5395281 0.2614955 0.0112459), wk = 0.0051282 k( 173) = ( 0.5329400 0.2583025 0.0363633), wk = 0.0051282 k( 174) = ( 0.5263520 0.2551094 0.0614808), wk = 0.0051282 k( 175) = ( 0.5197640 0.2519164 0.0865983), wk = 0.0051282 k( 176) = ( 0.5131760 0.2487234 0.1117158), wk = 0.0051282 k( 177) = ( 0.5065880 0.2455303 0.1368333), wk = 0.0051282 k( 178) = ( 0.5000000 0.2423373 0.1619508), wk = 0.0051282 k( 179) = ( 0.5000000 -0.3946414 -0.2637336), wk = 0.0051282 k( 180) = ( 0.5172935 -0.3794953 -0.2536117), wk = 0.0051282 k( 181) = ( 0.5345870 -0.3643493 -0.2434898), wk = 0.0051282 k( 182) = ( 0.5518806 -0.3492032 -0.2333679), wk = 0.0051282 k( 183) = ( 0.5691741 -0.3340571 -0.2232459), wk = 0.0051282 k( 184) = ( 0.5864676 -0.3189110 -0.2131240), wk = 0.0051282 k( 185) = ( 0.6037611 -0.3037649 -0.2030021), wk = 0.0051282 k( 186) = ( 0.6210547 -0.2886189 -0.1928802), wk = 0.0051282 k( 187) = ( 0.6383482 -0.2734728 -0.1827582), wk = 0.0051282 k( 188) = ( 0.6556417 -0.2583267 -0.1726363), wk = 0.0051282 k( 189) = ( 0.6729352 -0.2431806 -0.1625144), wk = 0.0051282 k( 190) = ( 0.6902288 -0.2280345 -0.1523925), wk = 0.0051282 k( 191) = ( 0.7075223 -0.2128885 -0.1422705), wk = 0.0051282 k( 192) = ( 0.7248158 -0.1977424 -0.1321486), wk = 0.0051282 k( 193) = ( 0.7421093 -0.1825963 -0.1220267), wk = 0.0051282 k( 194) = ( 0.7594029 -0.1674502 -0.1119048), wk = 0.0051282 k( 195) = ( 0.7766964 -0.1523041 -0.1017828), wk = 0.0051282 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 2) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0051282 k( 3) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0051282 k( 4) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0051282 k( 5) = ( 0.0740741 -0.0000000 0.0000000), wk = 0.0051282 k( 6) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0051282 k( 7) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0051282 k( 8) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0051282 k( 9) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0051282 k( 10) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0051282 k( 11) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0051282 k( 12) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0051282 k( 13) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0051282 k( 14) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0051282 k( 15) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0051282 k( 16) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0051282 k( 17) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0051282 k( 18) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0051282 k( 19) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0051282 k( 20) = ( 0.3518519 -0.0000000 0.0000000), wk = 0.0051282 k( 21) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0051282 k( 22) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0051282 k( 23) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0051282 k( 24) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0051282 k( 25) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0051282 k( 26) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0051282 k( 27) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0051282 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051282 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051282 k( 30) = ( 0.5000000 0.0111652 -0.0111652), wk = 0.0051282 k( 31) = ( 0.5000000 0.0223304 -0.0223304), wk = 0.0051282 k( 32) = ( 0.5000000 0.0334955 -0.0334955), wk = 0.0051282 k( 33) = ( 0.5000000 0.0446607 -0.0446607), wk = 0.0051282 k( 34) = ( 0.5000000 0.0558259 -0.0558259), wk = 0.0051282 k( 35) = ( 0.5000000 0.0669911 -0.0669911), wk = 0.0051282 k( 36) = ( 0.5000000 0.0781563 -0.0781563), wk = 0.0051282 k( 37) = ( 0.5000000 0.0893214 -0.0893214), wk = 0.0051282 k( 38) = ( 0.5000000 0.1004866 -0.1004866), wk = 0.0051282 k( 39) = ( 0.5000000 0.1116518 -0.1116518), wk = 0.0051282 k( 40) = ( 0.5000000 0.1228170 -0.1228170), wk = 0.0051282 k( 41) = ( 0.5000000 0.1339822 -0.1339822), wk = 0.0051282 k( 42) = ( 0.5000000 0.1451474 -0.1451473), wk = 0.0051282 k( 43) = ( 0.5000000 0.1563125 -0.1563125), wk = 0.0051282 k( 44) = ( 0.5000000 0.1674777 -0.1674777), wk = 0.0051282 k( 45) = ( 0.5000000 0.1786429 -0.1786429), wk = 0.0051282 k( 46) = ( 0.5000000 0.1898081 -0.1898081), wk = 0.0051282 k( 47) = ( 0.5000000 0.2009732 -0.2009732), wk = 0.0051282 k( 48) = ( 0.5000000 0.2121384 -0.2121384), wk = 0.0051282 k( 49) = ( 0.5000000 0.2233036 -0.2233036), wk = 0.0051282 k( 50) = ( 0.7766964 0.5000000 0.2233036), wk = 0.0051282 k( 51) = ( 0.7656285 0.5000000 0.2343715), wk = 0.0051282 k( 52) = ( 0.7545607 0.5000000 0.2454393), wk = 0.0051282 k( 53) = ( 0.7434928 0.5000000 0.2565072), wk = 0.0051282 k( 54) = ( 0.7324250 0.5000000 0.2675750), wk = 0.0051282 k( 55) = ( 0.7213571 0.5000000 0.2786429), wk = 0.0051282 k( 56) = ( 0.7102893 0.5000000 0.2897107), wk = 0.0051282 k( 57) = ( 0.6992214 0.5000000 0.3007786), wk = 0.0051282 k( 58) = ( 0.6881536 0.5000000 0.3118465), wk = 0.0051282 k( 59) = ( 0.6770857 0.5000000 0.3229143), wk = 0.0051282 k( 60) = ( 0.6660178 0.5000000 0.3339822), wk = 0.0051282 k( 61) = ( 0.6549500 0.5000000 0.3450500), wk = 0.0051282 k( 62) = ( 0.6438821 0.5000000 0.3561179), wk = 0.0051282 k( 63) = ( 0.6328143 0.5000000 0.3671857), wk = 0.0051282 k( 64) = ( 0.6217464 0.5000000 0.3782536), wk = 0.0051282 k( 65) = ( 0.6106786 0.5000000 0.3893214), wk = 0.0051282 k( 66) = ( 0.5996107 0.5000000 0.4003893), wk = 0.0051282 k( 67) = ( 0.5885428 0.5000000 0.4114571), wk = 0.0051282 k( 68) = ( 0.5774750 0.5000000 0.4225250), wk = 0.0051282 k( 69) = ( 0.5664071 0.5000000 0.4335929), wk = 0.0051282 k( 70) = ( 0.5553393 0.5000000 0.4446607), wk = 0.0051282 k( 71) = ( 0.5442714 0.5000000 0.4557286), wk = 0.0051282 k( 72) = ( 0.5332036 0.5000000 0.4667964), wk = 0.0051282 k( 73) = ( 0.5221357 0.5000000 0.4778643), wk = 0.0051282 k( 74) = ( 0.5110679 0.5000000 0.4889321), wk = 0.0051282 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 77) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0051282 k( 78) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0051282 k( 79) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0051282 k( 80) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0051282 k( 81) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0051282 k( 82) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0051282 k( 83) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0051282 k( 84) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0051282 k( 85) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0051282 k( 86) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0051282 k( 87) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0051282 k( 88) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0051282 k( 89) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0051282 k( 90) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0051282 k( 91) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0051282 k( 92) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0051282 k( 93) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0051282 k( 94) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0051282 k( 95) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0051282 k( 96) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0051282 k( 97) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0051282 k( 98) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0051282 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 101) = ( 0.0113016 0.0000000 -0.0113016), wk = 0.0051282 k( 102) = ( 0.0226032 0.0000000 -0.0226032), wk = 0.0051282 k( 103) = ( 0.0339049 0.0000000 -0.0339049), wk = 0.0051282 k( 104) = ( 0.0452065 0.0000000 -0.0452065), wk = 0.0051282 k( 105) = ( 0.0565081 0.0000000 -0.0565081), wk = 0.0051282 k( 106) = ( 0.0678097 -0.0000000 -0.0678097), wk = 0.0051282 k( 107) = ( 0.0791113 -0.0000000 -0.0791113), wk = 0.0051282 k( 108) = ( 0.0904130 0.0000000 -0.0904129), wk = 0.0051282 k( 109) = ( 0.1017146 0.0000000 -0.1017146), wk = 0.0051282 k( 110) = ( 0.1130162 -0.0000000 -0.1130162), wk = 0.0051282 k( 111) = ( 0.1243178 -0.0000000 -0.1243178), wk = 0.0051282 k( 112) = ( 0.1356194 -0.0000000 -0.1356194), wk = 0.0051282 k( 113) = ( 0.1469210 -0.0000000 -0.1469210), wk = 0.0051282 k( 114) = ( 0.1582227 -0.0000000 -0.1582227), wk = 0.0051282 k( 115) = ( 0.1695243 0.0000000 -0.1695243), wk = 0.0051282 k( 116) = ( 0.1808259 0.0000000 -0.1808259), wk = 0.0051282 k( 117) = ( 0.1921275 -0.0000000 -0.1921275), wk = 0.0051282 k( 118) = ( 0.2034291 0.0000000 -0.2034291), wk = 0.0051282 k( 119) = ( 0.2147308 -0.0000000 -0.2147308), wk = 0.0051282 k( 120) = ( 0.2260324 -0.0000000 -0.2260324), wk = 0.0051282 k( 121) = ( 0.2373340 0.0000000 -0.2373340), wk = 0.0051282 k( 122) = ( 0.2486356 -0.0000000 -0.2486356), wk = 0.0051282 k( 123) = ( 0.2599372 -0.0000000 -0.2599372), wk = 0.0051282 k( 124) = ( 0.2712388 0.0000000 -0.2712388), wk = 0.0051282 k( 125) = ( 0.2825405 0.0000000 -0.2825405), wk = 0.0051282 k( 126) = ( 0.2938421 0.0000000 -0.2938421), wk = 0.0051282 k( 127) = ( 0.3051437 0.0000000 -0.3051437), wk = 0.0051282 k( 128) = ( 0.3164453 -0.0000000 -0.3164453), wk = 0.0051282 k( 129) = ( 0.3277469 0.0000000 -0.3277469), wk = 0.0051282 k( 130) = ( 0.3390486 -0.0000000 -0.3390486), wk = 0.0051282 k( 131) = ( 0.3503502 -0.0000000 -0.3503502), wk = 0.0051282 k( 132) = ( 0.3616518 0.0000000 -0.3616518), wk = 0.0051282 k( 133) = ( 0.6383482 0.3616518 0.0000000), wk = 0.0051282 k( 134) = ( 0.6277060 0.3722940 0.0000000), wk = 0.0051282 k( 135) = ( 0.6170639 0.3829361 0.0000000), wk = 0.0051282 k( 136) = ( 0.6064217 0.3935783 0.0000000), wk = 0.0051282 k( 137) = ( 0.5957795 0.4042205 0.0000000), wk = 0.0051282 k( 138) = ( 0.5851374 0.4148626 0.0000000), wk = 0.0051282 k( 139) = ( 0.5744952 0.4255048 0.0000000), wk = 0.0051282 k( 140) = ( 0.5638530 0.4361470 0.0000000), wk = 0.0051282 k( 141) = ( 0.5532108 0.4467892 0.0000000), wk = 0.0051282 k( 142) = ( 0.5425687 0.4574313 0.0000000), wk = 0.0051282 k( 143) = ( 0.5319265 0.4680735 0.0000000), wk = 0.0051282 k( 144) = ( 0.5212843 0.4787157 0.0000000), wk = 0.0051282 k( 145) = ( 0.5106422 0.4893578 0.0000000), wk = 0.0051282 k( 146) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051282 k( 147) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051282 k( 148) = ( 0.5153720 0.5153720 0.0248115), wk = 0.0051282 k( 149) = ( 0.5307440 0.5307440 0.0496230), wk = 0.0051282 k( 150) = ( 0.5461161 0.5461161 0.0744345), wk = 0.0051282 k( 151) = ( 0.5614881 0.5614881 0.0992461), wk = 0.0051282 k( 152) = ( 0.5768601 0.5768601 0.1240576), wk = 0.0051282 k( 153) = ( 0.5922321 0.5922321 0.1488691), wk = 0.0051282 k( 154) = ( 0.6076042 0.6076042 0.1736806), wk = 0.0051282 k( 155) = ( 0.6229762 0.6229762 0.1984921), wk = 0.0051282 k( 156) = ( 0.6383482 0.6383482 0.2233036), wk = 0.0051282 k( 157) = ( 0.6383482 0.6383482 0.2233036), wk = 0.0051282 k( 158) = ( 0.6317602 0.6317602 0.2364796), wk = 0.0051282 k( 159) = ( 0.6251722 0.6251722 0.2496556), wk = 0.0051282 k( 160) = ( 0.6185842 0.6185842 0.2628317), wk = 0.0051282 k( 161) = ( 0.6119962 0.6119962 0.2760077), wk = 0.0051282 k( 162) = ( 0.6054082 0.6054082 0.2891837), wk = 0.0051282 k( 163) = ( 0.5988201 0.5988201 0.3023597), wk = 0.0051282 k( 164) = ( 0.5922321 0.5922321 0.3155357), wk = 0.0051282 k( 165) = ( 0.5856441 0.5856441 0.3287118), wk = 0.0051282 k( 166) = ( 0.5790561 0.5790561 0.3418878), wk = 0.0051282 k( 167) = ( 0.5724681 0.5724681 0.3550638), wk = 0.0051282 k( 168) = ( 0.5658801 0.5658801 0.3682398), wk = 0.0051282 k( 169) = ( 0.5592921 0.5592921 0.3814158), wk = 0.0051282 k( 170) = ( 0.5527041 0.5527041 0.3945919), wk = 0.0051282 k( 171) = ( 0.5461161 0.5461161 0.4077679), wk = 0.0051282 k( 172) = ( 0.5395281 0.5395281 0.4209439), wk = 0.0051282 k( 173) = ( 0.5329400 0.5329400 0.4341199), wk = 0.0051282 k( 174) = ( 0.5263520 0.5263520 0.4472959), wk = 0.0051282 k( 175) = ( 0.5197640 0.5197640 0.4604719), wk = 0.0051282 k( 176) = ( 0.5131760 0.5131760 0.4736480), wk = 0.0051282 k( 177) = ( 0.5065880 0.5065880 0.4868240), wk = 0.0051282 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 179) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051282 k( 180) = ( 0.5172935 0.0226032 0.0226032), wk = 0.0051282 k( 181) = ( 0.5345870 0.0452065 0.0452065), wk = 0.0051282 k( 182) = ( 0.5518806 0.0678097 0.0678097), wk = 0.0051282 k( 183) = ( 0.5691741 0.0904129 0.0904130), wk = 0.0051282 k( 184) = ( 0.5864676 0.1130162 0.1130162), wk = 0.0051282 k( 185) = ( 0.6037611 0.1356194 0.1356194), wk = 0.0051282 k( 186) = ( 0.6210547 0.1582227 0.1582227), wk = 0.0051282 k( 187) = ( 0.6383482 0.1808259 0.1808259), wk = 0.0051282 k( 188) = ( 0.6556417 0.2034291 0.2034291), wk = 0.0051282 k( 189) = ( 0.6729352 0.2260324 0.2260324), wk = 0.0051282 k( 190) = ( 0.6902288 0.2486356 0.2486356), wk = 0.0051282 k( 191) = ( 0.7075223 0.2712388 0.2712389), wk = 0.0051282 k( 192) = ( 0.7248158 0.2938421 0.2938421), wk = 0.0051282 k( 193) = ( 0.7421093 0.3164453 0.3164453), wk = 0.0051282 k( 194) = ( 0.7594029 0.3390486 0.3390486), wk = 0.0051282 k( 195) = ( 0.7766964 0.3616518 0.3616518), wk = 0.0051282 Dense grid: 70169 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 65465 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 530, 62) NL pseudopotentials 0.94 Mb ( 265, 232) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2194) G-vector shells 0.01 Mb ( 1779) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.01 Mb ( 530, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.44 Mb ( 232, 2, 62) The potential is recalculated from file : ./AsI3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 9.2 secs Computing kpt #: 4 total cpu time spent up to now is 11.4 secs Computing kpt #: 5 total cpu time spent up to now is 13.5 secs Computing kpt #: 6 total cpu time spent up to now is 15.5 secs Computing kpt #: 7 total cpu time spent up to now is 17.5 secs Computing kpt #: 8 total cpu time spent up to now is 19.6 secs Computing kpt #: 9 total cpu time spent up to now is 21.6 secs Computing kpt #: 10 total cpu time spent up to now is 23.6 secs Computing kpt #: 11 total cpu time spent up to now is 25.6 secs Computing kpt #: 12 total cpu time spent up to now is 27.5 secs Computing kpt #: 13 total cpu time spent up to now is 29.5 secs Computing kpt #: 14 total cpu time spent up to now is 31.5 secs Computing kpt #: 15 total cpu time spent up to now is 33.4 secs Computing kpt #: 16 total cpu time spent up to now is 35.4 secs Computing kpt #: 17 total cpu time spent up to now is 37.2 secs Computing kpt #: 18 total cpu time spent up to now is 39.2 secs Computing kpt #: 19 total cpu time spent up to now is 41.0 secs Computing kpt #: 20 total cpu time spent up to now is 42.8 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.5 secs Computing kpt #: 23 total cpu time spent up to now is 48.4 secs Computing kpt #: 24 total cpu time spent up to now is 50.2 secs Computing kpt #: 25 total cpu time spent up to now is 52.0 secs Computing kpt #: 26 total cpu time spent up to now is 54.0 secs Computing kpt #: 27 total cpu time spent up to now is 56.0 secs Computing kpt #: 28 total cpu time spent up to now is 58.0 secs Computing kpt #: 29 total cpu time spent up to now is 60.1 secs Computing kpt #: 30 total cpu time spent up to now is 62.1 secs Computing kpt #: 31 total cpu time spent up to now is 64.1 secs Computing kpt #: 32 total cpu time spent up to now is 66.0 secs Computing kpt #: 33 total cpu time spent up to now is 68.0 secs Computing kpt #: 34 total cpu time spent up to now is 70.0 secs Computing kpt #: 35 total cpu time spent up to now is 71.8 secs Computing kpt #: 36 total cpu time spent up to now is 73.8 secs Computing kpt #: 37 total cpu time spent up to now is 75.7 secs Computing kpt #: 38 total cpu time spent up to now is 77.7 secs Computing kpt #: 39 total cpu time spent up to now is 79.6 secs Computing kpt #: 40 total cpu time spent up to now is 81.5 secs Computing kpt #: 41 total cpu time spent up to now is 83.3 secs Computing kpt #: 42 total cpu time spent up to now is 85.3 secs Computing kpt #: 43 total cpu time spent up to now is 87.1 secs Computing kpt #: 44 total cpu time spent up to now is 88.9 secs Computing kpt #: 45 total cpu time spent up to now is 90.8 secs Computing kpt #: 46 total cpu time spent up to now is 92.6 secs Computing kpt #: 47 total cpu time spent up to now is 94.4 secs Computing kpt #: 48 total cpu time spent up to now is 96.2 secs Computing kpt #: 49 total cpu time spent up to now is 98.1 secs Computing kpt #: 50 total cpu time spent up to now is 99.9 secs Computing kpt #: 51 total cpu time spent up to now is 101.7 secs Computing kpt #: 52 total cpu time spent up to now is 103.5 secs Computing kpt #: 53 total cpu time spent up to now is 105.3 secs Computing kpt #: 54 total cpu time spent up to now is 107.2 secs Computing kpt #: 55 total cpu time spent up to now is 109.0 secs Computing kpt #: 56 total cpu time spent up to now is 110.8 secs Computing kpt #: 57 total cpu time spent up to now is 112.7 secs Computing kpt #: 58 total cpu time spent up to now is 114.5 secs Computing kpt #: 59 total cpu time spent up to now is 116.3 secs Computing kpt #: 60 total cpu time spent up to now is 118.1 secs Computing kpt #: 61 total cpu time spent up to now is 120.0 secs Computing kpt #: 62 total cpu time spent up to now is 121.8 secs Computing kpt #: 63 total cpu time spent up to now is 123.7 secs Computing kpt #: 64 total cpu time spent up to now is 125.5 secs Computing kpt #: 65 total cpu time spent up to now is 127.7 secs Computing kpt #: 66 total cpu time spent up to now is 129.7 secs Computing kpt #: 67 total cpu time spent up to now is 131.7 secs Computing kpt #: 68 total cpu time spent up to now is 133.7 secs Computing kpt #: 69 total cpu time spent up to now is 135.7 secs Computing kpt #: 70 total cpu time spent up to now is 137.5 secs Computing kpt #: 71 total cpu time spent up to now is 139.4 secs Computing kpt #: 72 total cpu time spent up to now is 141.2 secs Computing kpt #: 73 total cpu time spent up to now is 143.0 secs Computing kpt #: 74 total cpu time spent up to now is 144.9 secs Computing kpt #: 75 total cpu time spent up to now is 146.7 secs Computing kpt #: 76 total cpu time spent up to now is 148.5 secs Computing kpt #: 77 total cpu time spent up to now is 150.3 secs Computing kpt #: 78 total cpu time spent up to now is 152.2 secs Computing kpt #: 79 total cpu time spent up to now is 154.0 secs Computing kpt #: 80 total cpu time spent up to now is 155.8 secs Computing kpt #: 81 total cpu time spent up to now is 157.7 secs Computing kpt #: 82 total cpu time spent up to now is 159.6 secs Computing kpt #: 83 total cpu time spent up to now is 161.5 secs Computing kpt #: 84 total cpu time spent up to now is 163.3 secs Computing kpt #: 85 total cpu time spent up to now is 165.2 secs Computing kpt #: 86 total cpu time spent up to now is 167.0 secs Computing kpt #: 87 total cpu time spent up to now is 168.9 secs Computing kpt #: 88 total cpu time spent up to now is 170.8 secs Computing kpt #: 89 total cpu time spent up to now is 173.1 secs Computing kpt #: 90 total cpu time spent up to now is 174.9 secs Computing kpt #: 91 total cpu time spent up to now is 177.1 secs Computing kpt #: 92 total cpu time spent up to now is 179.4 secs Computing kpt #: 93 total cpu time spent up to now is 181.6 secs Computing kpt #: 94 total cpu time spent up to now is 183.6 secs Computing kpt #: 95 total cpu time spent up to now is 185.8 secs Computing kpt #: 96 total cpu time spent up to now is 188.0 secs Computing kpt #: 97 total cpu time spent up to now is 190.3 secs Computing kpt #: 98 total cpu time spent up to now is 192.5 secs Computing kpt #: 99 total cpu time spent up to now is 194.7 secs Computing kpt #: 100 total cpu time spent up to now is 196.6 secs Computing kpt #: 101 total cpu time spent up to now is 198.8 secs Computing kpt #: 102 total cpu time spent up to now is 201.0 secs Computing kpt #: 103 total cpu time spent up to now is 203.2 secs Computing kpt #: 104 total cpu time spent up to now is 205.3 secs Computing kpt #: 105 total cpu time spent up to now is 207.4 secs Computing kpt #: 106 total cpu time spent up to now is 209.4 secs Computing kpt #: 107 total cpu time spent up to now is 211.4 secs Computing kpt #: 108 total cpu time spent up to now is 213.5 secs Computing kpt #: 109 total cpu time spent up to now is 215.5 secs Computing kpt #: 110 total cpu time spent up to now is 217.5 secs Computing kpt #: 111 total cpu time spent up to now is 219.5 secs Computing kpt #: 112 total cpu time spent up to now is 221.5 secs Computing kpt #: 113 total cpu time spent up to now is 223.5 secs Computing kpt #: 114 total cpu time spent up to now is 225.5 secs Computing kpt #: 115 total cpu time spent up to now is 227.5 secs Computing kpt #: 116 total cpu time spent up to now is 229.5 secs Computing kpt #: 117 total cpu time spent up to now is 231.5 secs Computing kpt #: 118 total cpu time spent up to now is 233.3 secs Computing kpt #: 119 total cpu time spent up to now is 235.2 secs Computing kpt #: 120 total cpu time spent up to now is 237.0 secs Computing kpt #: 121 total cpu time spent up to now is 238.8 secs Computing kpt #: 122 total cpu time spent up to now is 240.7 secs Computing kpt #: 123 total cpu time spent up to now is 242.5 secs Computing kpt #: 124 total cpu time spent up to now is 244.4 secs Computing kpt #: 125 total cpu time spent up to now is 246.2 secs Computing kpt #: 126 total cpu time spent up to now is 248.1 secs Computing kpt #: 127 total cpu time spent up to now is 249.9 secs Computing kpt #: 128 total cpu time spent up to now is 251.7 secs Computing kpt #: 129 total cpu time spent up to now is 253.5 secs Computing kpt #: 130 total cpu time spent up to now is 255.5 secs Computing kpt #: 131 total cpu time spent up to now is 257.4 secs Computing kpt #: 132 total cpu time spent up to now is 259.2 secs Computing kpt #: 133 total cpu time spent up to now is 261.2 secs Computing kpt #: 134 total cpu time spent up to now is 263.0 secs Computing kpt #: 135 total cpu time spent up to now is 264.9 secs Computing kpt #: 136 total cpu time spent up to now is 266.8 secs Computing kpt #: 137 total cpu time spent up to now is 268.7 secs Computing kpt #: 138 total cpu time spent up to now is 270.5 secs Computing kpt #: 139 total cpu time spent up to now is 272.4 secs Computing kpt #: 140 total cpu time spent up to now is 274.3 secs Computing kpt #: 141 total cpu time spent up to now is 276.2 secs Computing kpt #: 142 total cpu time spent up to now is 278.1 secs Computing kpt #: 143 total cpu time spent up to now is 279.9 secs Computing kpt #: 144 total cpu time spent up to now is 281.7 secs Computing kpt #: 145 total cpu time spent up to now is 283.6 secs Computing kpt #: 146 total cpu time spent up to now is 285.5 secs Computing kpt #: 147 total cpu time spent up to now is 287.3 secs Computing kpt #: 148 total cpu time spent up to now is 289.1 secs Computing kpt #: 149 total cpu time spent up to now is 291.0 secs Computing kpt #: 150 total cpu time spent up to now is 293.0 secs Computing kpt #: 151 total cpu time spent up to now is 295.0 secs Computing kpt #: 152 total cpu time spent up to now is 296.8 secs Computing kpt #: 153 total cpu time spent up to now is 298.8 secs Computing kpt #: 154 total cpu time spent up to now is 300.7 secs Computing kpt #: 155 total cpu time spent up to now is 302.6 secs Computing kpt #: 156 total cpu time spent up to now is 304.6 secs Computing kpt #: 157 total cpu time spent up to now is 306.5 secs Computing kpt #: 158 total cpu time spent up to now is 308.5 secs Computing kpt #: 159 total cpu time spent up to now is 310.5 secs Computing kpt #: 160 total cpu time spent up to now is 312.4 secs Computing kpt #: 161 total cpu time spent up to now is 314.3 secs Computing kpt #: 162 total cpu time spent up to now is 316.2 secs Computing kpt #: 163 total cpu time spent up to now is 318.2 secs Computing kpt #: 164 total cpu time spent up to now is 320.0 secs Computing kpt #: 165 total cpu time spent up to now is 321.8 secs Computing kpt #: 166 total cpu time spent up to now is 323.7 secs Computing kpt #: 167 total cpu time spent up to now is 325.6 secs Computing kpt #: 168 total cpu time spent up to now is 327.5 secs Computing kpt #: 169 total cpu time spent up to now is 329.5 secs Computing kpt #: 170 total cpu time spent up to now is 331.4 secs Computing kpt #: 171 total cpu time spent up to now is 333.3 secs Computing kpt #: 172 total cpu time spent up to now is 335.3 secs Computing kpt #: 173 total cpu time spent up to now is 337.3 secs Computing kpt #: 174 total cpu time spent up to now is 339.5 secs Computing kpt #: 175 total cpu time spent up to now is 341.7 secs Computing kpt #: 176 total cpu time spent up to now is 343.6 secs Computing kpt #: 177 total cpu time spent up to now is 345.4 secs Computing kpt #: 178 total cpu time spent up to now is 347.2 secs Computing kpt #: 179 total cpu time spent up to now is 349.3 secs Computing kpt #: 180 total cpu time spent up to now is 351.5 secs Computing kpt #: 181 total cpu time spent up to now is 353.5 secs Computing kpt #: 182 total cpu time spent up to now is 355.5 secs Computing kpt #: 183 total cpu time spent up to now is 357.4 secs Computing kpt #: 184 total cpu time spent up to now is 359.4 secs Computing kpt #: 185 total cpu time spent up to now is 361.3 secs Computing kpt #: 186 total cpu time spent up to now is 363.3 secs Computing kpt #: 187 total cpu time spent up to now is 365.3 secs Computing kpt #: 188 total cpu time spent up to now is 367.3 secs Computing kpt #: 189 total cpu time spent up to now is 369.3 secs Computing kpt #: 190 total cpu time spent up to now is 371.3 secs Computing kpt #: 191 total cpu time spent up to now is 373.3 secs Computing kpt #: 192 total cpu time spent up to now is 375.3 secs Computing kpt #: 193 total cpu time spent up to now is 377.3 secs Computing kpt #: 194 total cpu time spent up to now is 379.2 secs Computing kpt #: 195 total cpu time spent up to now is 381.2 secs ethr = 1.92E-11, avg # of iterations = 31.7 total cpu time spent up to now is 381.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8139 PWs) bands (ev): -10.6512 -10.6512 -10.0250 -10.0250 -8.9575 -8.9575 -8.9537 -8.9537 -8.8786 -8.8786 -8.8752 -8.8752 -6.8542 -6.8542 -6.3684 -6.3684 -1.3308 -1.3308 -1.2451 -1.2451 -1.1143 -1.1143 -1.0636 -1.0636 -0.8975 -0.8975 0.2381 0.2381 0.5857 0.5857 1.2375 1.2375 1.3127 1.3127 1.3990 1.3990 1.4943 1.4943 1.6110 1.6110 1.7818 1.7818 1.9809 1.9809 2.2500 2.2500 2.5249 2.5249 2.6211 2.6211 2.6359 2.6359 4.7383 4.7383 5.0633 5.0633 5.1888 5.1888 5.4935 5.4935 5.7751 5.7751 k = 0.0185-0.0146-0.0098 ( 8145 PWs) bands (ev): -10.6506 -10.6506 -10.0252 -10.0252 -8.9579 -8.9579 -8.9541 -8.9541 -8.8788 -8.8788 -8.8755 -8.8755 -6.8533 -6.8533 -6.3681 -6.3681 -1.3305 -1.3305 -1.2467 -1.2467 -1.1154 -1.1154 -1.0606 -1.0606 -0.8955 -0.8955 0.2381 0.2381 0.5873 0.5873 1.2311 1.2311 1.3154 1.3154 1.3979 1.3979 1.4895 1.4895 1.6146 1.6146 1.7824 1.7824 1.9808 1.9808 2.2493 2.2493 2.5210 2.5210 2.6221 2.6221 2.6376 2.6376 4.7403 4.7403 5.0637 5.0637 5.1882 5.1882 5.4940 5.4940 5.7753 5.7753 k = 0.0370-0.0292-0.0195 ( 8137 PWs) bands (ev): -10.6488 -10.6488 -10.0259 -10.0259 -8.9593 -8.9593 -8.9551 -8.9551 -8.8796 -8.8796 -8.8762 -8.8762 -6.8507 -6.8507 -6.3674 -6.3674 -1.3295 -1.3295 -1.2511 -1.2511 -1.1179 -1.1179 -1.0527 -1.0527 -0.8893 -0.8893 0.2381 0.2381 0.5919 0.5919 1.2143 1.2143 1.3208 1.3208 1.3948 1.3948 1.4769 1.4769 1.6237 1.6237 1.7839 1.7839 1.9806 1.9806 2.2474 2.2474 2.5100 2.5100 2.6246 2.6246 2.6425 2.6425 4.7464 4.7464 5.0650 5.0650 5.1865 5.1865 5.4956 5.4956 5.7747 5.7747 k = 0.0556-0.0438-0.0293 ( 8139 PWs) bands (ev): -10.6459 -10.6459 -10.0270 -10.0270 -8.9618 -8.9618 -8.9564 -8.9564 -8.8809 -8.8809 -8.8774 -8.8774 -6.8463 -6.8463 -6.3662 -6.3662 -1.3283 -1.3283 -1.2575 -1.2575 -1.1202 -1.1202 -1.0418 -1.0418 -0.8791 -0.8791 0.2381 0.2381 0.5994 0.5994 1.1907 1.1907 1.3241 1.3241 1.3901 1.3901 1.4609 1.4609 1.6354 1.6354 1.7859 1.7859 1.9802 1.9802 2.2445 2.2445 2.4936 2.4936 2.6272 2.6272 2.6498 2.6498 4.7561 4.7561 5.0671 5.0671 5.1842 5.1842 5.4980 5.4980 5.7735 5.7735 k = 0.0741-0.0585-0.0391 ( 8135 PWs) bands (ev): -10.6419 -10.6419 -10.0286 -10.0286 -8.9656 -8.9656 -8.9578 -8.9578 -8.8829 -8.8829 -8.8789 -8.8789 -6.8402 -6.8402 -6.3646 -6.3646 -1.3274 -1.3274 -1.2648 -1.2648 -1.1215 -1.1215 -1.0296 -1.0296 -0.8648 -0.8648 0.2380 0.2380 0.6094 0.6094 1.1625 1.1625 1.3220 1.3220 1.3832 1.3832 1.4469 1.4469 1.6475 1.6475 1.7882 1.7882 1.9796 1.9796 2.2411 2.2411 2.4737 2.4737 2.6290 2.6290 2.6587 2.6587 4.7689 4.7689 5.0700 5.0700 5.1818 5.1818 5.5007 5.5007 5.7717 5.7717 k = 0.0926-0.0731-0.0488 ( 8132 PWs) bands (ev): -10.6367 -10.6367 -10.0307 -10.0307 -8.9705 -8.9705 -8.9594 -8.9594 -8.8856 -8.8856 -8.8808 -8.8808 -6.8326 -6.8326 -6.3625 -6.3625 -1.3276 -1.3276 -1.2712 -1.2712 -1.1216 -1.1216 -1.0169 -1.0169 -0.8467 -0.8467 0.2377 0.2377 0.6216 0.6216 1.1307 1.1307 1.3126 1.3126 1.3718 1.3718 1.4401 1.4401 1.6589 1.6589 1.7902 1.7902 1.9787 1.9787 2.2373 2.2373 2.4516 2.4516 2.6294 2.6294 2.6681 2.6681 4.7840 4.7840 5.0736 5.0736 5.1801 5.1801 5.5034 5.5034 5.7696 5.7696 k = 0.1111-0.0877-0.0586 ( 8149 PWs) bands (ev): -10.6304 -10.6304 -10.0334 -10.0334 -8.9763 -8.9763 -8.9613 -8.9613 -8.8889 -8.8889 -8.8830 -8.8830 -6.8235 -6.8235 -6.3600 -6.3600 -1.3303 -1.3303 -1.2753 -1.2753 -1.1202 -1.1202 -1.0039 -1.0039 -0.8253 -0.8253 0.2370 0.2370 0.6354 0.6354 1.0964 1.0964 1.2956 1.2956 1.3569 1.3569 1.4414 1.4414 1.6689 1.6689 1.7918 1.7918 1.9774 1.9774 2.2335 2.2335 2.4287 2.4287 2.6280 2.6280 2.6771 2.6771 4.8005 4.8005 5.0779 5.0779 5.1799 5.1799 5.5055 5.5055 5.7672 5.7672 k = 0.1296-0.1023-0.0684 ( 8143 PWs) bands (ev): -10.6229 -10.6229 -10.0366 -10.0366 -8.9829 -8.9829 -8.9633 -8.9633 -8.8929 -8.8929 -8.8854 -8.8854 -6.8131 -6.8131 -6.3572 -6.3572 -1.3361 -1.3361 -1.2759 -1.2759 -1.1172 -1.1172 -0.9908 -0.9908 -0.8011 -0.8011 0.2358 0.2358 0.6502 0.6502 1.0601 1.0601 1.2720 1.2720 1.3419 1.3419 1.4474 1.4474 1.6774 1.6774 1.7927 1.7927 1.9759 1.9759 2.2294 2.2294 2.4060 2.4060 2.6249 2.6249 2.6847 2.6847 4.8179 4.8179 5.0827 5.0827 5.1820 5.1820 5.5066 5.5066 5.7644 5.7644 k = 0.1481-0.1169-0.0781 ( 8144 PWs) bands (ev): -10.6145 -10.6145 -10.0405 -10.0405 -8.9900 -8.9900 -8.9656 -8.9656 -8.8974 -8.8974 -8.8882 -8.8882 -6.8015 -6.8015 -6.3540 -6.3540 -1.3446 -1.3446 -1.2733 -1.2733 -1.1128 -1.1128 -0.9775 -0.9775 -0.7747 -0.7747 0.2339 0.2339 0.6654 0.6654 1.0224 1.0224 1.2443 1.2443 1.3281 1.3281 1.4554 1.4554 1.6844 1.6844 1.7931 1.7931 1.9741 1.9741 2.2249 2.2249 2.3846 2.3846 2.6201 2.6201 2.6901 2.6901 4.8354 4.8354 5.0879 5.0879 5.1870 5.1870 5.5063 5.5063 5.7614 5.7614 k = 0.1667-0.1315-0.0879 ( 8152 PWs) bands (ev): -10.6050 -10.6050 -10.0450 -10.0450 -8.9975 -8.9975 -8.9681 -8.9681 -8.9024 -8.9024 -8.8912 -8.8912 -6.7889 -6.7889 -6.3506 -6.3506 -1.3547 -1.3547 -1.2683 -1.2683 -1.1070 -1.1070 -0.9639 -0.9639 -0.7467 -0.7467 0.2309 0.2309 0.6802 0.6802 0.9838 0.9838 1.2151 1.2151 1.3159 1.3159 1.4635 1.4635 1.6901 1.6901 1.7929 1.7929 1.9724 1.9724 2.2196 2.2196 2.3652 2.3652 2.6136 2.6136 2.6928 2.6928 4.8524 4.8524 5.0936 5.0936 5.1951 5.1951 5.5044 5.5044 5.7581 5.7581 k = 0.1852-0.1462-0.0977 ( 8157 PWs) bands (ev): -10.5944 -10.5944 -10.0503 -10.0503 -9.0052 -9.0052 -8.9707 -8.9707 -8.9080 -8.9080 -8.8945 -8.8945 -6.7754 -6.7754 -6.3470 -6.3470 -1.3656 -1.3656 -1.2616 -1.2616 -1.0998 -1.0998 -0.9498 -0.9498 -0.7177 -0.7177 0.2268 0.2268 0.6938 0.6938 0.9447 0.9447 1.1863 1.1863 1.3052 1.3052 1.4707 1.4707 1.6946 1.6946 1.7923 1.7923 1.9712 1.9712 2.2134 2.2134 2.3484 2.3484 2.6056 2.6056 2.6925 2.6925 4.8687 4.8687 5.0996 5.0996 5.2065 5.2065 5.5007 5.5007 5.7544 5.7544 k = 0.2037-0.1608-0.1074 ( 8171 PWs) bands (ev): -10.5830 -10.5830 -10.0563 -10.0563 -9.0129 -9.0129 -8.9735 -8.9735 -8.9139 -8.9139 -8.8980 -8.8980 -6.7613 -6.7613 -6.3431 -6.3431 -1.3769 -1.3769 -1.2536 -1.2536 -1.0914 -1.0914 -0.9352 -0.9352 -0.6883 -0.6883 0.2212 0.2212 0.7056 0.7056 0.9055 0.9055 1.1593 1.1593 1.2965 1.2965 1.4763 1.4763 1.6976 1.6976 1.7917 1.7917 1.9710 1.9710 2.2061 2.2061 2.3341 2.3341 2.5961 2.5961 2.6892 2.6892 4.8839 4.8839 5.1060 5.1060 5.2210 5.2210 5.4955 5.4955 5.7503 5.7503 k = 0.2222-0.1754-0.1172 ( 8170 PWs) bands (ev): -10.5706 -10.5706 -10.0631 -10.0631 -9.0206 -9.0206 -8.9764 -8.9764 -8.9202 -8.9202 -8.9017 -8.9017 -6.7467 -6.7467 -6.3392 -6.3392 -1.3881 -1.3881 -1.2445 -1.2445 -1.0821 -1.0821 -0.9202 -0.9202 -0.6589 -0.6589 0.2140 0.2140 0.7149 0.7149 0.8667 0.8667 1.1349 1.1349 1.2902 1.2902 1.4799 1.4799 1.6986 1.6986 1.7921 1.7921 1.9723 1.9723 2.1979 2.1979 2.3221 2.3221 2.5853 2.5853 2.6831 2.6831 4.8979 4.8979 5.1123 5.1123 5.2385 5.2385 5.4890 5.4890 5.7458 5.7458 k = 0.2407-0.1900-0.1270 ( 8171 PWs) bands (ev): -10.5574 -10.5574 -10.0707 -10.0707 -9.0279 -9.0279 -8.9795 -8.9795 -8.9267 -8.9267 -8.9054 -8.9054 -6.7319 -6.7319 -6.3351 -6.3351 -1.3991 -1.3991 -1.2343 -1.2343 -1.0719 -1.0719 -0.9050 -0.9050 -0.6301 -0.6301 0.2049 0.2049 0.7210 0.7210 0.8294 0.8294 1.1133 1.1133 1.2869 1.2869 1.4813 1.4813 1.6962 1.6962 1.7945 1.7945 1.9754 1.9754 2.1890 2.1890 2.3121 2.3121 2.5731 2.5731 2.6744 2.6744 4.9108 4.9108 5.1183 5.1183 5.2585 5.2585 5.4815 5.4815 5.7408 5.7408 k = 0.2593-0.2046-0.1368 ( 8170 PWs) bands (ev): -10.5433 -10.5433 -10.0792 -10.0792 -9.0348 -9.0348 -8.9827 -8.9827 -8.9334 -8.9334 -8.9093 -8.9093 -6.7170 -6.7170 -6.3311 -6.3311 -1.4097 -1.4097 -1.2231 -1.2231 -1.0611 -1.0611 -0.8897 -0.8897 -0.6023 -0.6023 0.1937 0.1937 0.7222 0.7222 0.7961 0.7961 1.0943 1.0943 1.2871 1.2871 1.4805 1.4805 1.6897 1.6897 1.7999 1.7999 1.9806 1.9806 2.1797 2.1797 2.3036 2.3036 2.5597 2.5597 2.6637 2.6637 4.9227 4.9227 5.1235 5.1235 5.2805 5.2805 5.4739 5.4739 5.7355 5.7355 k = 0.2778-0.2192-0.1465 ( 8179 PWs) bands (ev): -10.5286 -10.5286 -10.0885 -10.0885 -9.0411 -9.0411 -8.9861 -8.9861 -8.9401 -8.9401 -8.9131 -8.9131 -6.7022 -6.7022 -6.3271 -6.3271 -1.4199 -1.4199 -1.2110 -1.2110 -1.0499 -1.0499 -0.8745 -0.8745 -0.5757 -0.5757 0.1803 0.1803 0.7137 0.7137 0.7727 0.7727 1.0776 1.0776 1.2909 1.2909 1.4777 1.4777 1.6790 1.6790 1.8080 1.8080 1.9877 1.9877 2.1701 2.1701 2.2964 2.2964 2.5451 2.5451 2.6515 2.6515 4.9338 4.9338 5.1273 5.1273 5.3030 5.3030 5.4672 5.4672 5.7300 5.7300 k = 0.2963-0.2339-0.1563 ( 8175 PWs) bands (ev): -10.5132 -10.5132 -10.0988 -10.0988 -9.0467 -9.0467 -8.9897 -8.9897 -8.9467 -8.9467 -8.9170 -8.9170 -6.6877 -6.6877 -6.3232 -6.3232 -1.4295 -1.4295 -1.1981 -1.1981 -1.0384 -1.0384 -0.8599 -0.8599 -0.5508 -0.5508 0.1648 0.1648 0.6922 0.6922 0.7638 0.7638 1.0629 1.0629 1.2982 1.2982 1.4731 1.4731 1.6650 1.6650 1.8183 1.8183 1.9965 1.9965 2.1603 2.1603 2.2906 2.2906 2.5296 2.5296 2.6383 2.6383 4.9443 4.9443 5.1296 5.1296 5.3239 5.3239 5.4630 5.4630 5.7249 5.7249 k = 0.3148-0.2485-0.1661 ( 8177 PWs) bands (ev): -10.4973 -10.4973 -10.1098 -10.1098 -9.0515 -9.0515 -8.9937 -8.9937 -8.9530 -8.9530 -8.9207 -8.9207 -6.6737 -6.6737 -6.3195 -6.3195 -1.4384 -1.4384 -1.1846 -1.1846 -1.0268 -1.0268 -0.8460 -0.8460 -0.5277 -0.5277 0.1471 0.1471 0.6648 0.6648 0.7636 0.7636 1.0500 1.0500 1.3082 1.3082 1.4668 1.4668 1.6487 1.6487 1.8299 1.8299 2.0063 2.0063 2.1502 2.1502 2.2864 2.2864 2.5135 2.5135 2.6247 2.6247 4.9545 4.9545 5.1303 5.1303 5.3400 5.3400 5.4639 5.4639 5.7207 5.7207 k = 0.3333-0.2631-0.1758 ( 8182 PWs) bands (ev): -10.4810 -10.4810 -10.1216 -10.1216 -9.0554 -9.0554 -8.9980 -8.9980 -8.9589 -8.9589 -8.9243 -8.9243 -6.6605 -6.6605 -6.3159 -6.3159 -1.4467 -1.4467 -1.1707 -1.1707 -1.0154 -1.0154 -0.8331 -0.8331 -0.5067 -0.5067 0.1275 0.1275 0.6377 0.6377 0.7671 0.7671 1.0389 1.0389 1.3203 1.3203 1.4589 1.4589 1.6310 1.6310 1.8420 1.8420 2.0164 2.0164 2.1401 2.1401 2.2840 2.2840 2.4970 2.4970 2.6109 2.6109 4.9645 4.9645 5.1293 5.1293 5.3483 5.3483 5.4715 5.4715 5.7185 5.7185 k = 0.3519-0.2777-0.1856 ( 8182 PWs) bands (ev): -10.4643 -10.4643 -10.1340 -10.1340 -9.0584 -9.0584 -9.0028 -9.0028 -8.9642 -8.9642 -8.9277 -8.9277 -6.6481 -6.6481 -6.3127 -6.3127 -1.4542 -1.4542 -1.1568 -1.1568 -1.0042 -1.0042 -0.8213 -0.8213 -0.4879 -0.4879 0.1064 0.1064 0.6130 0.6130 0.7725 0.7725 1.0299 1.0299 1.3335 1.3335 1.4496 1.4496 1.6128 1.6128 1.8544 1.8544 2.0255 2.0255 2.1305 2.1305 2.2839 2.2839 2.4806 2.4806 2.5972 2.5972 4.9744 4.9744 5.1268 5.1268 5.3490 5.3490 5.4844 5.4844 5.7194 5.7194 k = 0.3704-0.2923-0.1954 ( 8192 PWs) bands (ev): -10.4476 -10.4476 -10.1470 -10.1470 -9.0605 -9.0605 -9.0080 -9.0080 -8.9687 -8.9687 -8.9308 -8.9308 -6.6367 -6.6367 -6.3097 -6.3097 -1.4609 -1.4609 -1.1430 -1.1430 -0.9936 -0.9936 -0.8108 -0.8108 -0.4713 -0.4713 0.0844 0.0844 0.5916 0.5916 0.7792 0.7792 1.0230 1.0230 1.3466 1.3466 1.4394 1.4394 1.5946 1.5946 1.8668 1.8668 2.0319 2.0319 2.1226 2.1226 2.2860 2.2860 2.4649 2.4649 2.5838 2.5838 4.9845 4.9845 5.1227 5.1227 5.3446 5.3446 5.4986 5.4986 5.7247 5.7247 k = 0.3889-0.3069-0.2051 ( 8195 PWs) bands (ev): -10.4311 -10.4311 -10.1603 -10.1603 -9.0615 -9.0615 -9.0136 -9.0136 -8.9725 -8.9725 -8.9336 -8.9336 -6.6266 -6.6266 -6.3070 -6.3070 -1.4668 -1.4668 -1.1299 -1.1299 -0.9837 -0.9837 -0.8016 -0.8016 -0.4569 -0.4569 0.0621 0.0621 0.5739 0.5739 0.7866 0.7866 1.0185 1.0185 1.3580 1.3580 1.4296 1.4296 1.5770 1.5770 1.8793 1.8793 2.0339 2.0339 2.1178 2.1178 2.2899 2.2899 2.4503 2.4503 2.5709 2.5709 4.9948 4.9948 5.1173 5.1173 5.3377 5.3377 5.5106 5.5106 5.7356 5.7356 k = 0.4074-0.3216-0.2149 ( 8199 PWs) bands (ev): -10.4150 -10.4150 -10.1736 -10.1736 -9.0615 -9.0615 -9.0195 -9.0195 -8.9755 -8.9755 -8.9361 -8.9361 -6.6177 -6.6177 -6.3047 -6.3047 -1.4718 -1.4718 -1.1179 -1.1179 -0.9749 -0.9749 -0.7938 -0.7938 -0.4448 -0.4448 0.0407 0.0407 0.5597 0.5597 0.7939 0.7939 1.0164 1.0164 1.3649 1.3649 1.4235 1.4235 1.5601 1.5601 1.8920 1.8920 2.0303 2.0303 2.1170 2.1170 2.2950 2.2950 2.4374 2.4374 2.5586 2.5586 5.0053 5.0053 5.1107 5.1107 5.3302 5.3302 5.5186 5.5186 5.7518 5.7518 k = 0.4259-0.3362-0.2247 ( 8201 PWs) bands (ev): -10.3998 -10.3998 -10.1865 -10.1865 -9.0606 -9.0606 -9.0255 -9.0255 -8.9778 -8.9778 -8.9382 -8.9382 -6.6103 -6.6103 -6.3028 -6.3028 -1.4759 -1.4759 -1.1073 -1.1073 -0.9672 -0.9672 -0.7874 -0.7874 -0.4348 -0.4348 0.0211 0.0211 0.5489 0.5489 0.8005 0.8005 1.0165 1.0165 1.3640 1.3640 1.4246 1.4246 1.5439 1.5439 1.9049 1.9049 2.0220 2.0220 2.1196 2.1196 2.3003 2.3003 2.4270 2.4270 2.5473 2.5473 5.0161 5.0161 5.1029 5.1029 5.3230 5.3230 5.5228 5.5228 5.7722 5.7722 k = 0.4444-0.3508-0.2344 ( 8197 PWs) bands (ev): -10.3861 -10.3861 -10.1983 -10.1983 -9.0588 -9.0588 -9.0315 -9.0315 -8.9795 -8.9795 -8.9399 -8.9399 -6.6044 -6.6044 -6.3012 -6.3012 -1.4792 -1.4792 -1.0985 -1.0985 -0.9610 -0.9610 -0.7824 -0.7824 -0.4270 -0.4270 0.0044 0.0044 0.5412 0.5412 0.8060 0.8060 1.0183 1.0183 1.3571 1.3571 1.4324 1.4324 1.5285 1.5285 1.9180 1.9180 2.0107 2.0107 2.1237 2.1237 2.3049 2.3049 2.4195 2.4195 2.5374 2.5374 5.0271 5.0271 5.0941 5.0941 5.3169 5.3169 5.5244 5.5244 5.7953 5.7953 k = 0.4630-0.3654-0.2442 ( 8201 PWs) bands (ev): -10.3750 -10.3750 -10.2082 -10.2082 -9.0561 -9.0561 -9.0371 -9.0371 -8.9807 -8.9807 -8.9411 -8.9411 -6.6002 -6.6002 -6.3001 -6.3001 -1.4815 -1.4815 -1.0920 -1.0920 -0.9564 -0.9564 -0.7788 -0.7788 -0.4214 -0.4214 -0.0084 -0.0084 0.5360 0.5360 0.8100 0.8100 1.0207 1.0207 1.3489 1.3489 1.4432 1.4432 1.5142 1.5142 1.9309 1.9309 1.9983 1.9983 2.1277 2.1277 2.3081 2.3081 2.4149 2.4149 2.5294 2.5294 5.0380 5.0380 5.0846 5.0846 5.3123 5.3123 5.5244 5.5244 5.8193 5.8193 k = 0.4815-0.3800-0.2540 ( 8201 PWs) bands (ev): -10.3675 -10.3675 -10.2150 -10.2150 -9.0529 -9.0529 -9.0422 -9.0422 -8.9814 -8.9814 -8.9418 -8.9418 -6.5976 -6.5976 -6.2995 -6.2995 -1.4829 -1.4829 -1.0880 -1.0880 -0.9535 -0.9535 -0.7767 -0.7767 -0.4180 -0.4180 -0.0165 -0.0165 0.5330 0.5330 0.8124 0.8124 1.0229 1.0229 1.3428 1.3428 1.4535 1.4535 1.5023 1.5023 1.9424 1.9424 1.9868 1.9868 2.1305 2.1305 2.3098 2.3098 2.4127 2.4127 2.5242 2.5242 5.0485 5.0485 5.0750 5.0750 5.3095 5.3095 5.5241 5.5241 5.8427 5.8427 k = 0.5000-0.3946-0.2637 ( 8204 PWs) bands (ev): -10.3648 -10.3648 -10.2174 -10.2174 -9.0505 -9.0505 -9.0451 -9.0451 -8.9816 -8.9816 -8.9421 -8.9421 -6.5967 -6.5967 -6.2993 -6.2993 -1.4833 -1.4833 -1.0866 -1.0866 -0.9526 -0.9526 -0.7759 -0.7759 -0.4168 -0.4168 -0.0193 -0.0193 0.5321 0.5321 0.8132 0.8132 1.0237 1.0237 1.3406 1.3406 1.4585 1.4585 1.4968 1.4968 1.9481 1.9481 1.9812 1.9812 2.1315 2.1315 2.3103 2.3103 2.4122 2.4122 2.5223 2.5223 5.0549 5.0549 5.0689 5.0689 5.3085 5.3085 5.5239 5.5239 5.8612 5.8612 k = 0.5000-0.3946-0.2637 ( 8204 PWs) bands (ev): -10.3648 -10.3648 -10.2174 -10.2174 -9.0505 -9.0505 -9.0451 -9.0451 -8.9816 -8.9816 -8.9421 -8.9421 -6.5967 -6.5967 -6.2993 -6.2993 -1.4833 -1.4833 -1.0866 -1.0866 -0.9526 -0.9526 -0.7759 -0.7759 -0.4168 -0.4168 -0.0193 -0.0193 0.5321 0.5321 0.8132 0.8132 1.0237 1.0237 1.3406 1.3406 1.4585 1.4585 1.4968 1.4968 1.9481 1.9481 1.9812 1.9812 2.1315 2.1315 2.3103 2.3103 2.4122 2.4122 2.5223 2.5223 5.0549 5.0549 5.0689 5.0689 5.3085 5.3085 5.5239 5.5239 5.8612 5.8612 k = 0.5000-0.3804-0.2850 ( 8208 PWs) bands (ev): -10.3643 -10.3643 -10.2176 -10.2176 -9.0508 -9.0508 -9.0453 -9.0453 -8.9821 -8.9821 -8.9419 -8.9419 -6.5957 -6.5957 -6.2997 -6.2997 -1.4817 -1.4817 -1.0884 -1.0884 -0.9516 -0.9516 -0.7761 -0.7761 -0.4160 -0.4160 -0.0214 -0.0214 0.5309 0.5309 0.8151 0.8151 1.0231 1.0231 1.3403 1.3403 1.4501 1.4501 1.5059 1.5059 1.9467 1.9467 1.9829 1.9829 2.1313 2.1313 2.3118 2.3118 2.4115 2.4115 2.5220 2.5220 5.0511 5.0511 5.0704 5.0704 5.3076 5.3076 5.5259 5.5259 5.8505 5.8505 k = 0.5000-0.3662-0.3063 ( 8210 PWs) bands (ev): -10.3629 -10.3629 -10.2181 -10.2181 -9.0517 -9.0517 -9.0457 -9.0457 -8.9835 -8.9835 -8.9415 -8.9415 -6.5925 -6.5925 -6.3012 -6.3012 -1.4770 -1.4770 -1.0934 -1.0934 -0.9491 -0.9491 -0.7767 -0.7767 -0.4135 -0.4135 -0.0278 -0.0278 0.5275 0.5275 0.8203 0.8203 1.0216 1.0216 1.3394 1.3394 1.4349 1.4349 1.5232 1.5232 1.9432 1.9432 1.9874 1.9874 2.1309 2.1309 2.3159 2.3159 2.4095 2.4095 2.5210 2.5210 5.0432 5.0432 5.0710 5.0710 5.3057 5.3057 5.5313 5.5313 5.8361 5.8361 k = 0.5000-0.3520-0.3276 ( 8206 PWs) bands (ev): -10.3606 -10.3606 -10.2191 -10.2191 -9.0531 -9.0531 -9.0464 -9.0464 -8.9856 -8.9856 -8.9408 -8.9408 -6.5873 -6.5873 -6.3036 -6.3036 -1.4691 -1.4691 -1.1011 -1.1011 -0.9456 -0.9456 -0.7774 -0.7774 -0.4096 -0.4096 -0.0382 -0.0382 0.5226 0.5226 0.8279 0.8279 1.0195 1.0195 1.3371 1.3371 1.4203 1.4203 1.5420 1.5420 1.9388 1.9388 1.9932 1.9932 2.1307 2.1307 2.3222 2.3222 2.4064 2.4064 2.5198 2.5198 5.0336 5.0336 5.0674 5.0674 5.3050 5.3050 5.5391 5.5391 5.8214 5.8214 k = 0.5000-0.3377-0.3489 ( 8204 PWs) bands (ev): -10.3573 -10.3573 -10.2205 -10.2205 -9.0551 -9.0551 -9.0477 -9.0477 -8.9880 -8.9880 -8.9400 -8.9400 -6.5801 -6.5801 -6.3070 -6.3070 -1.4581 -1.4581 -1.1107 -1.1107 -0.9420 -0.9420 -0.7779 -0.7779 -0.4044 -0.4044 -0.0523 -0.0523 0.5170 0.5170 0.8364 0.8364 1.0176 1.0176 1.3325 1.3325 1.4087 1.4087 1.5603 1.5603 1.9342 1.9342 1.9993 1.9993 2.1312 2.1312 2.3296 2.3296 2.4026 2.4026 2.5185 2.5185 5.0227 5.0227 5.0587 5.0587 5.3078 5.3078 5.5481 5.5481 5.8067 5.8067 k = 0.5000-0.3235-0.3702 ( 8210 PWs) bands (ev): -10.3532 -10.3532 -10.2223 -10.2223 -9.0577 -9.0577 -9.0496 -9.0496 -8.9903 -8.9903 -8.9392 -8.9392 -6.5710 -6.5710 -6.3115 -6.3115 -1.4442 -1.4442 -1.1216 -1.1216 -0.9392 -0.9392 -0.7779 -0.7779 -0.3982 -0.3982 -0.0697 -0.0697 0.5115 0.5115 0.8444 0.8444 1.0165 1.0165 1.3250 1.3250 1.4010 1.4010 1.5773 1.5773 1.9295 1.9295 2.0049 2.0049 2.1329 2.1329 2.3365 2.3365 2.3994 2.3994 2.5177 2.5177 5.0095 5.0095 5.0459 5.0459 5.3150 5.3150 5.5575 5.5575 5.7923 5.7923 k = 0.5000-0.3093-0.3914 ( 8208 PWs) bands (ev): -10.3482 -10.3482 -10.2246 -10.2246 -9.0608 -9.0608 -9.0523 -9.0523 -8.9922 -8.9922 -8.9384 -8.9384 -6.5601 -6.5601 -6.3169 -6.3169 -1.4276 -1.4276 -1.1332 -1.1332 -0.9376 -0.9376 -0.7771 -0.7771 -0.3916 -0.3916 -0.0897 -0.0897 0.5063 0.5063 0.8508 0.8508 1.0169 1.0169 1.3150 1.3150 1.3968 1.3968 1.5926 1.5926 1.9247 1.9247 2.0096 2.0096 2.1363 2.1363 2.3402 2.3402 2.3991 2.3991 2.5175 2.5175 4.9924 4.9924 5.0321 5.0321 5.3264 5.3264 5.5666 5.5666 5.7784 5.7784 k = 0.5000-0.2951-0.4127 ( 8198 PWs) bands (ev): -10.3423 -10.3423 -10.2274 -10.2274 -9.0646 -9.0646 -9.0558 -9.0558 -8.9933 -8.9933 -8.9375 -8.9375 -6.5476 -6.5476 -6.3234 -6.3234 -1.4084 -1.4084 -1.1451 -1.1451 -0.9376 -0.9376 -0.7752 -0.7752 -0.3851 -0.3851 -0.1115 -0.1115 0.5019 0.5019 0.8547 0.8547 1.0192 1.0192 1.3037 1.3037 1.3949 1.3949 1.6060 1.6060 1.9198 1.9198 2.0132 2.0132 2.1416 2.1416 2.3388 2.3388 2.4034 2.4034 2.5180 2.5180 4.9710 4.9710 5.0198 5.0198 5.3408 5.3408 5.5752 5.5752 5.7654 5.7654 k = 0.5000-0.2808-0.4340 ( 8192 PWs) bands (ev): -10.3357 -10.3357 -10.2308 -10.2308 -9.0689 -9.0689 -9.0601 -9.0601 -8.9937 -8.9937 -8.9366 -8.9366 -6.5338 -6.5338 -6.3310 -6.3310 -1.3869 -1.3869 -1.1567 -1.1567 -0.9394 -0.9394 -0.7722 -0.7722 -0.3794 -0.3794 -0.1340 -0.1340 0.4982 0.4982 0.8561 0.8561 1.0232 1.0232 1.2918 1.2918 1.3943 1.3943 1.6174 1.6174 1.9144 1.9144 2.0154 2.0154 2.1488 2.1488 2.3329 2.3329 2.4116 2.4116 2.5195 2.5195 4.9467 4.9467 5.0094 5.0094 5.3571 5.3571 5.5831 5.5831 5.7538 5.7538 k = 0.5000-0.2666-0.4553 ( 8200 PWs) bands (ev): -10.3284 -10.3284 -10.2347 -10.2347 -9.0738 -9.0738 -9.0651 -9.0651 -8.9932 -8.9932 -8.9357 -8.9357 -6.5186 -6.5186 -6.3397 -6.3397 -1.3637 -1.3637 -1.1677 -1.1677 -0.9428 -0.9428 -0.7681 -0.7681 -0.3756 -0.3756 -0.1559 -0.1559 0.4952 0.4952 0.8555 0.8555 1.0285 1.0285 1.2798 1.2798 1.3942 1.3942 1.6266 1.6266 1.9084 1.9084 2.0165 2.0165 2.1577 2.1577 2.3246 2.3246 2.4216 2.4216 2.5218 2.5218 4.9219 4.9219 5.0000 5.0000 5.3739 5.3739 5.5903 5.5903 5.7440 5.7440 k = 0.5000-0.2524-0.4766 ( 8204 PWs) bands (ev): -10.3204 -10.3204 -10.2393 -10.2393 -9.0789 -9.0789 -9.0707 -9.0707 -8.9919 -8.9919 -8.9346 -8.9346 -6.5024 -6.5024 -6.3495 -6.3495 -1.3394 -1.3394 -1.1775 -1.1775 -0.9475 -0.9475 -0.7632 -0.7632 -0.3749 -0.3749 -0.1753 -0.1753 0.4928 0.4928 0.8534 0.8534 1.0345 1.0345 1.2680 1.2680 1.3945 1.3945 1.6338 1.6338 1.9016 1.9016 2.0165 2.0165 2.1679 2.1679 2.3158 2.3158 2.4313 2.4313 2.5249 2.5249 4.8986 4.8986 4.9914 4.9914 5.3901 5.3901 5.5966 5.5966 5.7367 5.7367 k = 0.5000-0.2382-0.4979 ( 8198 PWs) bands (ev): -10.3118 -10.3118 -10.2445 -10.2445 -9.0842 -9.0842 -9.0766 -9.0766 -8.9899 -8.9899 -8.9333 -8.9333 -6.4853 -6.4853 -6.3604 -6.3604 -1.3153 -1.3153 -1.1851 -1.1851 -0.9531 -0.9531 -0.7577 -0.7577 -0.3790 -0.3790 -0.1905 -0.1905 0.4910 0.4910 0.8504 0.8504 1.0406 1.0406 1.2561 1.2561 1.3948 1.3948 1.6390 1.6390 1.8938 1.8938 2.0153 2.0153 2.1787 2.1787 2.3078 2.3078 2.4396 2.4396 2.5288 2.5288 4.8781 4.8781 4.9832 4.9832 5.4050 5.4050 5.6020 5.6020 5.7323 5.7323 k = 0.5000-0.2240-0.5191 ( 8200 PWs) bands (ev): -10.3027 -10.3027 -10.2504 -10.2504 -9.0895 -9.0895 -9.0828 -9.0828 -8.9873 -8.9873 -8.9318 -8.9318 -6.4675 -6.4675 -6.3725 -6.3725 -1.2937 -1.2937 -1.1885 -1.1885 -0.9591 -0.9591 -0.7521 -0.7521 -0.3888 -0.3888 -0.2000 -0.2000 0.4895 0.4895 0.8470 0.8470 1.0465 1.0465 1.2441 1.2441 1.3954 1.3954 1.6423 1.6423 1.8852 1.8852 2.0132 2.0132 2.1894 2.1894 2.3014 2.3014 2.4458 2.4458 2.5333 2.5333 4.8617 4.8617 4.9756 4.9756 5.4179 5.4179 5.6062 5.6062 5.7315 5.7315 k = 0.5000-0.2097-0.5404 ( 8196 PWs) bands (ev): -10.2932 -10.2932 -10.2571 -10.2571 -9.0946 -9.0946 -9.0891 -9.0891 -8.9842 -8.9842 -8.9301 -8.9301 -6.4493 -6.4493 -6.3857 -6.3857 -1.2780 -1.2780 -1.1849 -1.1849 -0.9648 -0.9648 -0.7466 -0.7466 -0.4042 -0.4042 -0.2034 -0.2034 0.4885 0.4885 0.8434 0.8434 1.0519 1.0519 1.2321 1.2321 1.3962 1.3962 1.6437 1.6437 1.8757 1.8757 2.0103 2.0103 2.1989 2.1989 2.2978 2.2978 2.4494 2.4494 2.5379 2.5379 4.8499 4.8499 4.9685 4.9685 5.4285 5.4285 5.6090 5.6090 5.7345 5.7345 k = 0.5000-0.1955-0.5617 ( 8210 PWs) bands (ev): -10.2833 -10.2833 -10.2645 -10.2645 -9.0993 -9.0993 -9.0951 -9.0951 -8.9808 -8.9808 -8.9282 -8.9282 -6.4307 -6.4307 -6.4001 -6.4001 -1.2710 -1.2710 -1.1725 -1.1725 -0.9695 -0.9695 -0.7414 -0.7414 -0.4243 -0.4243 -0.2015 -0.2015 0.4878 0.4878 0.8398 0.8398 1.0568 1.0568 1.2202 1.2202 1.3973 1.3973 1.6430 1.6430 1.8654 1.8654 2.0069 2.0069 2.2061 2.2061 2.2978 2.2978 2.4506 2.4506 2.5422 2.5422 4.8432 4.8432 4.9622 4.9622 5.4368 5.4368 5.6104 5.6104 5.7411 5.7411 k = 0.5000-0.1813-0.5830 ( 8210 PWs) bands (ev): -10.2732 -10.2732 -10.2725 -10.2725 -9.1040 -9.1040 -9.1004 -9.1004 -8.9769 -8.9769 -8.9261 -8.9261 -6.4164 -6.4164 -6.4114 -6.4114 -1.2711 -1.2711 -1.1539 -1.1539 -0.9722 -0.9722 -0.7370 -0.7370 -0.4472 -0.4472 -0.1954 -0.1954 0.4877 0.4877 0.8360 0.8360 1.0611 1.0611 1.2085 1.2085 1.3985 1.3985 1.6403 1.6403 1.8545 1.8545 2.0033 2.0033 2.2099 2.2099 2.3018 2.3018 2.4496 2.4496 2.5457 2.5457 4.8418 4.8418 4.9572 4.9572 5.4432 5.4432 5.6104 5.6104 5.7507 5.7507 k = 0.5000-0.1671-0.6043 ( 8204 PWs) bands (ev): -10.2815 -10.2815 -10.2629 -10.2629 -9.1091 -9.1091 -9.1043 -9.1043 -8.9727 -8.9727 -8.9238 -8.9238 -6.4326 -6.4326 -6.3933 -6.3933 -1.2750 -1.2750 -1.1344 -1.1344 -0.9713 -0.9713 -0.7335 -0.7335 -0.4715 -0.4715 -0.1861 -0.1861 0.4880 0.4880 0.8321 0.8321 1.0650 1.0650 1.1973 1.1973 1.4000 1.4000 1.6354 1.6354 1.8432 1.8432 2.0000 2.0000 2.2103 2.2103 2.3093 2.3093 2.4467 2.4467 2.5480 2.5480 4.8453 4.8453 4.9539 4.9539 5.4482 5.4482 5.6093 5.6093 5.7625 5.7625 k = 0.5000-0.1528-0.6256 ( 8202 PWs) bands (ev): -10.2911 -10.2911 -10.2526 -10.2526 -9.1142 -9.1142 -9.1066 -9.1066 -8.9683 -8.9683 -8.9214 -8.9214 -6.4504 -6.4504 -6.3748 -6.3748 -1.2805 -1.2805 -1.1183 -1.1183 -0.9652 -0.9652 -0.7313 -0.7313 -0.4960 -0.4960 -0.1744 -0.1744 0.4889 0.4889 0.8281 0.8281 1.0685 1.0685 1.1868 1.1868 1.4014 1.4014 1.6287 1.6287 1.8315 1.8315 1.9973 1.9973 2.2076 2.2076 2.3189 2.3189 2.4424 2.4424 2.5491 2.5491 4.8531 4.8531 4.9532 4.9532 5.4522 5.4522 5.6072 5.6072 5.7757 5.7757 k = 0.5000-0.1386-0.6468 ( 8200 PWs) bands (ev): -10.3013 -10.3013 -10.2423 -10.2423 -9.1190 -9.1190 -9.1078 -9.1078 -8.9637 -8.9637 -8.9187 -8.9187 -6.4693 -6.4693 -6.3568 -6.3568 -1.2865 -1.2865 -1.1080 -1.1080 -0.9530 -0.9530 -0.7305 -0.7305 -0.5198 -0.5198 -0.1605 -0.1605 0.4903 0.4903 0.8238 0.8238 1.0718 1.0718 1.1770 1.1770 1.4025 1.4025 1.6206 1.6206 1.8194 1.8194 1.9957 1.9957 2.2025 2.2025 2.3287 2.3287 2.4373 2.4373 2.5492 2.5492 4.8639 4.8639 4.9563 4.9563 5.4557 5.4557 5.6043 5.6043 5.7893 5.7893 k = 0.5000-0.1244-0.6681 ( 8200 PWs) bands (ev): -10.3123 -10.3123 -10.2322 -10.2322 -9.1231 -9.1231 -9.1079 -9.1079 -8.9590 -8.9590 -8.9160 -8.9160 -6.4892 -6.4892 -6.3392 -6.3392 -1.2924 -1.2924 -1.1038 -1.1038 -0.9357 -0.9357 -0.7313 -0.7313 -0.5422 -0.5422 -0.1445 -0.1445 0.4923 0.4923 0.8196 0.8196 1.0746 1.0746 1.1681 1.1681 1.4029 1.4029 1.6121 1.6121 1.8071 1.8071 1.9952 1.9952 2.1954 2.1954 2.3370 2.3370 2.4321 2.4321 2.5489 2.5489 4.8757 4.8757 4.9648 4.9648 5.4592 5.4592 5.6009 5.6009 5.8028 5.8028 k = 0.5000-0.1102-0.6894 ( 8198 PWs) bands (ev): -10.3238 -10.3238 -10.2224 -10.2224 -9.1264 -9.1264 -9.1068 -9.1068 -8.9541 -8.9541 -8.9132 -8.9132 -6.5102 -6.5102 -6.3222 -6.3222 -1.2981 -1.2981 -1.1044 -1.1044 -0.9157 -0.9157 -0.7335 -0.7335 -0.5627 -0.5627 -0.1264 -0.1264 0.4949 0.4949 0.8155 0.8155 1.0764 1.0764 1.1604 1.1604 1.4021 1.4021 1.6044 1.6044 1.7945 1.7945 1.9960 1.9960 2.1867 2.1867 2.3417 2.3417 2.4276 2.4276 2.5490 2.5490 4.8866 4.8866 4.9803 4.9803 5.4628 5.4628 5.5970 5.5970 5.8155 5.8155 k = 0.7767 0.0239-0.3655 ( 8198 PWs) bands (ev): -10.3238 -10.3238 -10.2224 -10.2224 -9.1264 -9.1264 -9.1068 -9.1068 -8.9541 -8.9541 -8.9132 -8.9132 -6.5102 -6.5102 -6.3222 -6.3222 -1.2981 -1.2981 -1.1044 -1.1044 -0.9157 -0.9157 -0.7335 -0.7335 -0.5627 -0.5627 -0.1264 -0.1264 0.4949 0.4949 0.8155 0.8155 1.0764 1.0764 1.1604 1.1604 1.4021 1.4021 1.6044 1.6044 1.7945 1.7945 1.9960 1.9960 2.1867 2.1867 2.3417 2.3417 2.4276 2.4276 2.5490 2.5490 4.8866 4.8866 4.9803 4.9803 5.4628 5.4628 5.5970 5.5970 5.8155 5.8155 k = 0.7656 0.0327-0.3444 ( 8190 PWs) bands (ev): -10.3357 -10.3357 -10.2130 -10.2130 -9.1286 -9.1286 -9.1047 -9.1047 -8.9492 -8.9492 -8.9103 -8.9103 -6.5318 -6.5318 -6.3060 -6.3060 -1.3033 -1.3033 -1.1080 -1.1080 -0.8962 -0.8962 -0.7366 -0.7366 -0.5808 -0.5808 -0.1066 -0.1066 0.4981 0.4981 0.8118 0.8118 1.0762 1.0762 1.1548 1.1548 1.3996 1.3996 1.5987 1.5987 1.7815 1.7815 1.9980 1.9980 2.1765 2.1765 2.3417 2.3417 2.4238 2.4238 2.5508 2.5508 4.8956 4.8956 5.0027 5.0027 5.4667 5.4667 5.5928 5.5928 5.8269 5.8269 k = 0.7546 0.0414-0.3233 ( 8184 PWs) bands (ev): -10.3480 -10.3480 -10.2041 -10.2041 -9.1297 -9.1297 -9.1015 -9.1015 -8.9442 -8.9442 -8.9073 -8.9073 -6.5543 -6.5543 -6.2906 -6.2906 -1.3080 -1.3080 -1.1135 -1.1135 -0.8801 -0.8801 -0.7393 -0.7393 -0.5963 -0.5963 -0.0848 -0.0848 0.5020 0.5020 0.8087 0.8087 1.0724 1.0724 1.1522 1.1522 1.3954 1.3954 1.5960 1.5960 1.7682 1.7682 2.0010 2.0010 2.1650 2.1650 2.3369 2.3369 2.4202 2.4202 2.5554 2.5554 4.9034 4.9034 5.0313 5.0313 5.4709 5.4709 5.5883 5.5883 5.8371 5.8371 k = 0.7435 0.0502-0.3022 ( 8182 PWs) bands (ev): -10.3607 -10.3607 -10.1958 -10.1958 -9.1296 -9.1296 -9.0974 -9.0974 -8.9393 -8.9393 -8.9044 -8.9044 -6.5776 -6.5776 -6.2761 -6.2761 -1.3122 -1.3122 -1.1199 -1.1199 -0.8700 -0.8700 -0.7401 -0.7401 -0.6092 -0.6092 -0.0612 -0.0612 0.5067 0.5067 0.8064 0.8064 1.0643 1.0643 1.1529 1.1529 1.3900 1.3900 1.5961 1.5961 1.7548 1.7548 2.0047 2.0047 2.1524 2.1524 2.3281 2.3281 2.4157 2.4157 2.5635 2.5635 4.9107 4.9107 5.0642 5.0642 5.4754 5.4754 5.5837 5.5837 5.8457 5.8457 k = 0.7324 0.0589-0.2811 ( 8180 PWs) bands (ev): -10.3736 -10.3736 -10.1881 -10.1881 -9.1283 -9.1283 -9.0923 -9.0923 -8.9343 -8.9343 -8.9015 -8.9015 -6.6014 -6.6014 -6.2624 -6.2624 -1.3158 -1.3158 -1.1270 -1.1270 -0.8679 -0.8679 -0.7376 -0.7376 -0.6196 -0.6196 -0.0360 -0.0360 0.5123 0.5123 0.8047 0.8047 1.0522 1.0522 1.1564 1.1564 1.3844 1.3844 1.5978 1.5978 1.7423 1.7423 2.0086 2.0086 2.1394 2.1394 2.3163 2.3163 2.4098 2.4098 2.5750 2.5750 4.9183 4.9183 5.1001 5.1001 5.4802 5.4802 5.5790 5.5790 5.8529 5.8529 k = 0.7214 0.0676-0.2600 ( 8176 PWs) bands (ev): -10.3867 -10.3867 -10.1810 -10.1810 -9.1256 -9.1256 -9.0864 -9.0864 -8.9294 -8.9294 -8.8987 -8.8987 -6.6259 -6.6259 -6.2497 -6.2497 -1.3189 -1.3189 -1.1341 -1.1341 -0.8735 -0.8735 -0.7326 -0.7326 -0.6273 -0.6273 -0.0095 -0.0095 0.5187 0.5187 0.8038 0.8038 1.0371 1.0371 1.1615 1.1615 1.3796 1.3796 1.5986 1.5986 1.7324 1.7324 2.0117 2.0117 2.1269 2.1269 2.3021 2.3021 2.4033 2.4033 2.5892 2.5892 4.9264 4.9264 5.1378 5.1378 5.4850 5.4850 5.5744 5.5744 5.8585 5.8585 k = 0.7103 0.0764-0.2389 ( 8180 PWs) bands (ev): -10.3999 -10.3999 -10.1747 -10.1747 -9.1215 -9.1215 -9.0797 -9.0797 -8.9246 -8.9246 -8.8959 -8.8959 -6.6507 -6.6507 -6.2379 -6.2379 -1.3214 -1.3214 -1.1412 -1.1412 -0.8848 -0.8848 -0.7273 -0.7273 -0.6322 -0.6322 0.0179 0.0179 0.5260 0.5260 0.8035 0.8035 1.0201 1.0201 1.1674 1.1674 1.3767 1.3767 1.5953 1.5953 1.7279 1.7279 2.0123 2.0123 2.1168 2.1168 2.2860 2.2860 2.3972 2.3972 2.6053 2.6053 4.9350 4.9350 5.1762 5.1762 5.4897 5.4897 5.5702 5.5702 5.8626 5.8626 k = 0.6992 0.0851-0.2178 ( 8182 PWs) bands (ev): -10.4130 -10.4130 -10.1691 -10.1691 -9.1162 -9.1162 -9.0724 -9.0724 -8.9200 -8.9200 -8.8932 -8.8932 -6.6759 -6.6759 -6.2270 -6.2270 -1.3234 -1.3234 -1.1481 -1.1481 -0.8997 -0.8997 -0.7240 -0.7240 -0.6339 -0.6339 0.0458 0.0458 0.5340 0.5340 0.8037 0.8037 1.0023 1.0023 1.1735 1.1735 1.3758 1.3758 1.5852 1.5852 1.7304 1.7304 2.0083 2.0083 2.1113 2.1113 2.2681 2.2681 2.3927 2.3927 2.6225 2.6225 4.9442 4.9442 5.2144 5.2144 5.4941 5.4941 5.5666 5.5666 5.8653 5.8653 k = 0.6882 0.0938-0.1967 ( 8178 PWs) bands (ev): -10.4260 -10.4260 -10.1643 -10.1643 -9.1095 -9.1095 -9.0645 -9.0645 -8.9155 -8.9155 -8.8906 -8.8906 -6.7012 -6.7012 -6.2171 -6.2171 -1.3249 -1.3249 -1.1547 -1.1547 -0.9166 -0.9166 -0.7240 -0.7240 -0.6329 -0.6329 0.0739 0.0739 0.5424 0.5424 0.8043 0.8043 0.9849 0.9849 1.1794 1.1794 1.3770 1.3770 1.5688 1.5688 1.7392 1.7392 1.9984 1.9984 2.1120 2.1120 2.2490 2.2490 2.3909 2.3909 2.6403 2.6403 4.9536 4.9536 5.2516 5.2516 5.4978 5.4978 5.5641 5.5641 5.8667 5.8667 k = 0.6771 0.1026-0.1756 ( 8190 PWs) bands (ev): -10.4388 -10.4388 -10.1602 -10.1602 -9.1017 -9.1017 -9.0561 -9.0561 -8.9112 -8.9112 -8.8882 -8.8882 -6.7265 -6.7265 -6.2081 -6.2081 -1.3261 -1.3261 -1.1610 -1.1610 -0.9342 -0.9342 -0.7271 -0.7271 -0.6299 -0.6299 0.1018 0.1018 0.5510 0.5510 0.8051 0.8051 0.9689 0.9689 1.1850 1.1850 1.3795 1.3795 1.5484 1.5484 1.7512 1.7512 1.9836 1.9836 2.1171 2.1171 2.2305 2.2305 2.3922 2.3922 2.6581 2.6581 4.9629 4.9629 5.2869 5.2869 5.5005 5.5005 5.5632 5.5632 5.8667 5.8667 k = 0.6660 0.1113-0.1545 ( 8190 PWs) bands (ev): -10.4513 -10.4513 -10.1568 -10.1568 -9.0927 -9.0927 -9.0474 -9.0474 -8.9071 -8.9071 -8.8860 -8.8860 -6.7516 -6.7516 -6.2001 -6.2001 -1.3270 -1.3270 -1.1668 -1.1668 -0.9516 -0.9516 -0.7328 -0.7328 -0.6263 -0.6263 0.1289 0.1289 0.5595 0.5595 0.8061 0.8061 0.9552 0.9552 1.1901 1.1901 1.3816 1.3816 1.5272 1.5272 1.7632 1.7632 1.9663 1.9663 2.1224 2.1224 2.2165 2.2165 2.3968 2.3968 2.6755 2.6755 4.9717 4.9717 5.3198 5.3198 5.5019 5.5019 5.5643 5.5643 5.8656 5.8656 k = 0.6549 0.1200-0.1334 ( 8194 PWs) bands (ev): -10.4633 -10.4633 -10.1541 -10.1541 -9.0827 -9.0827 -9.0385 -9.0385 -8.9032 -8.9032 -8.8840 -8.8840 -6.7765 -6.7765 -6.1929 -6.1929 -1.3278 -1.3278 -1.1722 -1.1722 -0.9682 -0.9682 -0.7402 -0.7402 -0.6230 -0.6230 0.1550 0.1550 0.5676 0.5676 0.8075 0.8075 0.9447 0.9447 1.1942 1.1942 1.3811 1.3811 1.5089 1.5089 1.7716 1.7716 1.9490 1.9490 2.1213 2.1213 2.2137 2.2137 2.4047 2.4047 2.6921 2.6921 4.9794 4.9794 5.3495 5.3495 5.5020 5.5020 5.5679 5.5679 5.8634 5.8634 k = 0.6439 0.1288-0.1123 ( 8194 PWs) bands (ev): -10.4749 -10.4749 -10.1521 -10.1521 -9.0719 -9.0719 -9.0294 -9.0294 -8.8997 -8.8997 -8.8822 -8.8822 -6.8008 -6.8008 -6.1866 -6.1866 -1.3285 -1.3285 -1.1773 -1.1773 -0.9834 -0.9834 -0.7488 -0.7488 -0.6206 -0.6206 0.1795 0.1795 0.5755 0.5755 0.8091 0.8091 0.9380 0.9380 1.1970 1.1970 1.3749 1.3749 1.4973 1.4973 1.7732 1.7732 1.9331 1.9331 2.1116 2.1116 2.2257 2.2257 2.4156 2.4156 2.7078 2.7078 4.9855 4.9855 5.3757 5.3757 5.5007 5.5007 5.5738 5.5738 5.8603 5.8603 k = 0.6328 0.1375-0.0912 ( 8196 PWs) bands (ev): -10.4860 -10.4860 -10.1505 -10.1505 -9.0605 -9.0605 -9.0204 -9.0204 -8.8964 -8.8964 -8.8807 -8.8807 -6.8244 -6.8244 -6.1810 -6.1810 -1.3293 -1.3293 -1.1821 -1.1821 -0.9966 -0.9966 -0.7583 -0.7583 -0.6194 -0.6194 0.2020 0.2020 0.5832 0.5832 0.8112 0.8112 0.9354 0.9354 1.1974 1.1974 1.3624 1.3624 1.4942 1.4942 1.7663 1.7663 1.9181 1.9181 2.0997 2.0997 2.2482 2.2482 2.4292 2.4292 2.7223 2.7223 4.9895 4.9895 5.3982 5.3982 5.4984 5.4984 5.5820 5.5820 5.8564 5.8564 k = 0.6217 0.1462-0.0701 ( 8202 PWs) bands (ev): -10.4964 -10.4964 -10.1495 -10.1495 -9.0485 -9.0485 -9.0114 -9.0114 -8.8936 -8.8936 -8.8794 -8.8794 -6.8472 -6.8472 -6.1762 -6.1762 -1.3304 -1.3304 -1.1866 -1.1866 -1.0075 -1.0075 -0.7685 -0.7685 -0.6194 -0.6194 0.2220 0.2220 0.5911 0.5911 0.8138 0.8138 0.9373 0.9373 1.1944 1.1944 1.3462 1.3462 1.4978 1.4978 1.7516 1.7516 1.9012 1.9012 2.0917 2.0917 2.2772 2.2772 2.4451 2.4451 2.7354 2.7354 4.9908 4.9908 5.4170 5.4170 5.4954 5.4954 5.5917 5.5917 5.8520 5.8520 k = 0.6107 0.1550-0.0490 ( 8202 PWs) bands (ev): -10.5061 -10.5061 -10.1488 -10.1488 -9.0363 -9.0363 -9.0027 -9.0027 -8.8910 -8.8910 -8.8785 -8.8785 -6.8689 -6.8689 -6.1720 -6.1720 -1.3318 -1.3318 -1.1909 -1.1909 -1.0158 -1.0158 -0.7793 -0.7793 -0.6205 -0.6205 0.2392 0.2392 0.5995 0.5995 0.8172 0.8172 0.9433 0.9433 1.1867 1.1867 1.3305 1.3305 1.5049 1.5049 1.7313 1.7313 1.8797 1.8797 2.0904 2.0904 2.3103 2.3103 2.4629 2.4629 2.7470 2.7470 4.9890 4.9890 5.4325 5.4325 5.4921 5.4921 5.6024 5.6024 5.8472 5.8472 k = 0.5996 0.1637-0.0279 ( 8200 PWs) bands (ev): -10.5151 -10.5151 -10.1485 -10.1485 -9.0240 -9.0240 -8.9943 -8.9943 -8.8889 -8.8889 -8.8778 -8.8778 -6.8893 -6.8893 -6.1685 -6.1685 -1.3337 -1.3337 -1.1947 -1.1947 -1.0214 -1.0214 -0.7906 -0.7906 -0.6226 -0.6226 0.2535 0.2535 0.6085 0.6085 0.8215 0.8215 0.9533 0.9533 1.1737 1.1737 1.3183 1.3183 1.5126 1.5126 1.7079 1.7079 1.8534 1.8534 2.0952 2.0952 2.3461 2.3461 2.4821 2.4821 2.7570 2.7570 4.9838 4.9838 5.4450 5.4450 5.4893 5.4893 5.6130 5.6130 5.8425 5.8425 k = 0.5885 0.1725-0.0068 ( 8208 PWs) bands (ev): -10.5233 -10.5233 -10.1485 -10.1485 -9.0120 -9.0120 -8.9864 -8.9864 -8.8871 -8.8871 -8.8775 -8.8775 -6.9082 -6.9082 -6.1655 -6.1655 -1.3361 -1.3361 -1.1982 -1.1982 -1.0243 -1.0243 -0.8024 -0.8024 -0.6254 -0.6254 0.2646 0.2646 0.6183 0.6183 0.8272 0.8272 0.9665 0.9665 1.1560 1.1560 1.3106 1.3106 1.5185 1.5185 1.6836 1.6836 1.8244 1.8244 2.1039 2.1039 2.3831 2.3831 2.5024 2.5024 2.7652 2.7652 4.9752 4.9752 5.4541 5.4541 5.4884 5.4884 5.6229 5.6229 5.8378 5.8378 k = 0.5775 0.1812 0.0143 ( 8202 PWs) bands (ev): -10.5306 -10.5306 -10.1486 -10.1486 -9.0003 -9.0003 -8.9790 -8.9790 -8.8858 -8.8858 -8.8776 -8.8776 -6.9255 -6.9255 -6.1630 -6.1630 -1.3388 -1.3388 -1.2011 -1.2011 -1.0247 -1.0247 -0.8144 -0.8144 -0.6286 -0.6286 0.2729 0.2729 0.6285 0.6285 0.8345 0.8345 0.9820 0.9820 1.1356 1.1356 1.3068 1.3068 1.5206 1.5206 1.6601 1.6601 1.7952 1.7952 2.1144 2.1144 2.4202 2.4202 2.5230 2.5230 2.7719 2.7719 4.9636 4.9636 5.4586 5.4586 5.4914 5.4914 5.6314 5.6314 5.8335 5.8335 k = 0.5664 0.1899 0.0354 ( 8196 PWs) bands (ev): -10.5371 -10.5371 -10.1489 -10.1489 -8.9892 -8.9892 -8.9722 -8.9722 -8.8847 -8.8847 -8.8779 -8.8779 -6.9409 -6.9409 -6.1610 -6.1610 -1.3419 -1.3419 -1.2035 -1.2035 -1.0229 -1.0229 -0.8266 -0.8266 -0.6319 -0.6319 0.2788 0.2788 0.6386 0.6386 0.8435 0.8435 0.9979 0.9979 1.1156 1.1156 1.3055 1.3055 1.5171 1.5171 1.6385 1.6385 1.7684 1.7684 2.1251 2.1251 2.4560 2.4560 2.5435 2.5435 2.7769 2.7769 4.9498 4.9498 5.4590 5.4590 5.4982 5.4982 5.6381 5.6381 5.8295 5.8295 k = 0.5553 0.1987 0.0565 ( 8192 PWs) bands (ev): -10.5426 -10.5426 -10.1492 -10.1492 -8.9791 -8.9791 -8.9662 -8.9662 -8.8841 -8.8841 -8.8786 -8.8786 -6.9543 -6.9543 -6.1594 -6.1594 -1.3450 -1.3450 -1.2054 -1.2054 -1.0194 -1.0194 -0.8386 -0.8386 -0.6351 -0.6351 0.2826 0.2826 0.6481 0.6481 0.8545 0.8545 1.0100 1.0100 1.1006 1.1006 1.3057 1.3057 1.5075 1.5075 1.6192 1.6192 1.7462 1.7462 2.1351 2.1351 2.4890 2.4890 2.5630 2.5630 2.7804 2.7804 4.9347 4.9347 5.4576 5.4576 5.5070 5.5070 5.6427 5.6427 5.8256 5.8256 k = 0.5443 0.2074 0.0776 ( 8190 PWs) bands (ev): -10.5471 -10.5471 -10.1495 -10.1495 -8.9702 -8.9702 -8.9610 -8.9610 -8.8837 -8.8837 -8.8794 -8.8794 -6.9655 -6.9655 -6.1581 -6.1581 -1.3480 -1.3480 -1.2068 -1.2068 -1.0147 -1.0147 -0.8500 -0.8500 -0.6380 -0.6380 0.2850 0.2850 0.6565 0.6565 0.8673 0.8673 1.0115 1.0115 1.0977 1.0977 1.3059 1.3059 1.4935 1.4935 1.6018 1.6018 1.7301 1.7301 2.1438 2.1438 2.5180 2.5180 2.5810 2.5810 2.7825 2.7825 4.9196 4.9196 5.4557 5.4557 5.5162 5.5162 5.6454 5.6454 5.8214 5.8214 k = 0.5332 0.2161 0.0987 ( 8182 PWs) bands (ev): -10.5507 -10.5507 -10.1499 -10.1499 -8.9629 -8.9629 -8.9566 -8.9566 -8.8837 -8.8837 -8.8802 -8.8802 -6.9743 -6.9743 -6.1572 -6.1572 -1.3506 -1.3506 -1.2077 -1.2077 -1.0096 -1.0096 -0.8603 -0.8603 -0.6404 -0.6404 0.2863 0.2863 0.6633 0.6633 0.8816 0.8816 1.0009 1.0009 1.1077 1.1077 1.3050 1.3050 1.4782 1.4782 1.5858 1.5858 1.7198 1.7198 2.1508 2.1508 2.5417 2.5417 2.5965 2.5965 2.7837 2.7837 4.9060 4.9060 5.4540 5.4540 5.5249 5.5249 5.6465 5.6465 5.8166 5.8166 k = 0.5221 0.2249 0.1198 ( 8186 PWs) bands (ev): -10.5532 -10.5532 -10.1501 -10.1501 -8.9577 -8.9577 -8.9531 -8.9531 -8.8840 -8.8840 -8.8809 -8.8809 -6.9807 -6.9807 -6.1565 -6.1565 -1.3526 -1.3526 -1.2083 -1.2083 -1.0049 -1.0049 -0.8687 -0.8687 -0.6422 -0.6422 0.2869 0.2869 0.6683 0.6683 0.8968 0.8968 0.9845 0.9845 1.1228 1.1228 1.3026 1.3026 1.4652 1.4652 1.5725 1.5725 1.7141 1.7141 2.1560 2.1560 2.5593 2.5593 2.6086 2.6086 2.7841 2.7841 4.8952 4.8952 5.4527 5.4527 5.5321 5.5321 5.6464 5.6464 5.8121 5.8121 k = 0.5111 0.2336 0.1409 ( 8182 PWs) bands (ev): -10.5548 -10.5548 -10.1503 -10.1503 -8.9547 -8.9547 -8.9506 -8.9506 -8.8843 -8.8843 -8.8813 -8.8813 -6.9846 -6.9846 -6.1562 -6.1562 -1.3539 -1.3539 -1.2086 -1.2086 -1.0014 -1.0014 -0.8743 -0.8743 -0.6433 -0.6433 0.2872 0.2872 0.6714 0.6714 0.9111 0.9111 0.9685 0.9685 1.1354 1.1354 1.2994 1.2994 1.4567 1.4567 1.5635 1.5635 1.7114 1.7114 2.1591 2.1591 2.5700 2.5700 2.6163 2.6163 2.7842 2.7842 4.8883 4.8883 5.4519 5.4519 5.5368 5.5368 5.6459 5.6459 5.8090 5.8090 k = 0.5000 0.2423 0.1620 ( 8180 PWs) bands (ev): -10.5553 -10.5553 -10.1503 -10.1503 -8.9537 -8.9537 -8.9497 -8.9497 -8.8844 -8.8844 -8.8814 -8.8814 -6.9859 -6.9859 -6.1560 -6.1560 -1.3543 -1.3543 -1.2087 -1.2087 -1.0002 -1.0002 -0.8763 -0.8763 -0.6437 -0.6437 0.2872 0.2872 0.6724 0.6724 0.9185 0.9185 0.9605 0.9605 1.1403 1.1403 1.2979 1.2979 1.4539 1.4539 1.5602 1.5602 1.7106 1.7106 2.1601 2.1601 2.5737 2.5737 2.6189 2.6189 2.7842 2.7842 4.8859 4.8859 5.4516 5.4516 5.5385 5.5385 5.6457 5.6457 5.8079 5.8079 k = 0.5000 0.2423 0.1620 ( 8180 PWs) bands (ev): -10.5553 -10.5553 -10.1503 -10.1503 -8.9537 -8.9537 -8.9497 -8.9497 -8.8844 -8.8844 -8.8814 -8.8814 -6.9859 -6.9859 -6.1560 -6.1560 -1.3543 -1.3543 -1.2087 -1.2087 -1.0002 -1.0002 -0.8763 -0.8763 -0.6437 -0.6437 0.2872 0.2872 0.6724 0.6724 0.9185 0.9185 0.9605 0.9605 1.1403 1.1403 1.2979 1.2979 1.4539 1.4539 1.5602 1.5602 1.7106 1.7106 2.1601 2.1601 2.5737 2.5737 2.6189 2.6189 2.7842 2.7842 4.8859 4.8859 5.4516 5.4516 5.5385 5.5385 5.6457 5.6457 5.8079 5.8079 k = 0.4783 0.2318 0.1549 ( 8183 PWs) bands (ev): -10.5558 -10.5558 -10.1496 -10.1496 -8.9538 -8.9538 -8.9497 -8.9497 -8.8844 -8.8844 -8.8814 -8.8814 -6.9855 -6.9855 -6.1569 -6.1569 -1.3545 -1.3545 -1.2089 -1.2089 -1.0009 -1.0009 -0.8772 -0.8772 -0.6446 -0.6446 0.2880 0.2880 0.6729 0.6729 0.9191 0.9191 0.9587 0.9587 1.1425 1.1425 1.2996 1.2996 1.4548 1.4548 1.5610 1.5610 1.7111 1.7111 2.1616 2.1616 2.5731 2.5731 2.6195 2.6195 2.7844 2.7844 4.8845 4.8845 5.4480 5.4480 5.5351 5.5351 5.6456 5.6456 5.8091 5.8091 k = 0.4565 0.2213 0.1479 ( 8198 PWs) bands (ev): -10.5576 -10.5576 -10.1475 -10.1475 -8.9538 -8.9538 -8.9498 -8.9498 -8.8843 -8.8843 -8.8813 -8.8813 -6.9841 -6.9841 -6.1594 -6.1594 -1.3548 -1.3548 -1.2097 -1.2097 -1.0029 -1.0029 -0.8798 -0.8798 -0.6474 -0.6474 0.2900 0.2900 0.6742 0.6742 0.9210 0.9210 0.9537 0.9537 1.1490 1.1490 1.3045 1.3045 1.4577 1.4577 1.5634 1.5634 1.7128 1.7128 2.1658 2.1658 2.5714 2.5714 2.6211 2.6211 2.7851 2.7851 4.8806 4.8806 5.4372 5.4372 5.5252 5.5252 5.6454 5.6454 5.8123 5.8123 k = 0.4348 0.2107 0.1408 ( 8198 PWs) bands (ev): -10.5604 -10.5604 -10.1440 -10.1440 -8.9539 -8.9539 -8.9499 -8.9499 -8.8842 -8.8842 -8.8811 -8.8811 -6.9818 -6.9818 -6.1635 -6.1635 -1.3554 -1.3554 -1.2109 -1.2109 -1.0062 -1.0062 -0.8841 -0.8841 -0.6520 -0.6520 0.2930 0.2930 0.6766 0.6766 0.9243 0.9243 0.9464 0.9464 1.1590 1.1590 1.3125 1.3125 1.4622 1.4622 1.5674 1.5674 1.7156 1.7156 2.1726 2.1726 2.5689 2.5689 2.6236 2.6236 2.7860 2.7860 4.8743 4.8743 5.4204 5.4204 5.5097 5.5097 5.6447 5.6447 5.8170 5.8170 k = 0.4130 0.2002 0.1338 ( 8201 PWs) bands (ev): -10.5641 -10.5641 -10.1394 -10.1394 -8.9541 -8.9541 -8.9500 -8.9500 -8.8840 -8.8840 -8.8809 -8.8809 -6.9787 -6.9787 -6.1691 -6.1691 -1.3561 -1.3561 -1.2125 -1.2125 -1.0106 -1.0106 -0.8901 -0.8901 -0.6584 -0.6584 0.2965 0.2965 0.6800 0.6800 0.9292 0.9292 0.9378 0.9378 1.1721 1.1721 1.3231 1.3231 1.4682 1.4682 1.5731 1.5731 1.7194 1.7194 2.1820 2.1820 2.5658 2.5658 2.6266 2.6266 2.7870 2.7870 4.8659 4.8659 5.3985 5.3985 5.4897 5.4897 5.6432 5.6432 5.8227 5.8227 k = 0.3913 0.1897 0.1267 ( 8189 PWs) bands (ev): -10.5687 -10.5687 -10.1336 -10.1336 -8.9542 -8.9542 -8.9502 -8.9502 -8.8837 -8.8837 -8.8807 -8.8807 -6.9747 -6.9747 -6.1763 -6.1763 -1.3570 -1.3570 -1.2145 -1.2145 -1.0159 -1.0159 -0.8977 -0.8977 -0.6666 -0.6666 0.3000 0.3000 0.6845 0.6845 0.9293 0.9293 0.9359 0.9359 1.1877 1.1877 1.3360 1.3360 1.4752 1.4752 1.5804 1.5804 1.7243 1.7243 2.1934 2.1934 2.5624 2.5624 2.6298 2.6298 2.7877 2.7877 4.8558 4.8558 5.3728 5.3728 5.4664 5.4664 5.6409 5.6409 5.8285 5.8285 k = 0.3696 0.1791 0.1197 ( 8186 PWs) bands (ev): -10.5740 -10.5740 -10.1270 -10.1270 -8.9544 -8.9544 -8.9504 -8.9504 -8.8835 -8.8835 -8.8804 -8.8804 -6.9699 -6.9699 -6.1849 -6.1849 -1.3578 -1.3578 -1.2168 -1.2168 -1.0218 -1.0218 -0.9069 -0.9069 -0.6765 -0.6765 0.3027 0.3027 0.6895 0.6895 0.9224 0.9224 0.9446 0.9446 1.2053 1.2053 1.3505 1.3505 1.4829 1.4829 1.5893 1.5893 1.7301 1.7301 2.2067 2.2067 2.5587 2.5587 2.6331 2.6331 2.7877 2.7877 4.8444 4.8444 5.3444 5.3444 5.4408 5.4408 5.6373 5.6373 5.8338 5.8338 k = 0.3478 0.1686 0.1127 ( 8213 PWs) bands (ev): -10.5798 -10.5798 -10.1196 -10.1196 -8.9546 -8.9546 -8.9506 -8.9506 -8.8831 -8.8831 -8.8800 -8.8800 -6.9642 -6.9642 -6.1948 -6.1948 -1.3585 -1.3585 -1.2193 -1.2193 -1.0281 -1.0281 -0.9176 -0.9176 -0.6879 -0.6879 0.3044 0.3044 0.6941 0.6941 0.9188 0.9188 0.9554 0.9554 1.2248 1.2248 1.3662 1.3662 1.4908 1.4908 1.5998 1.5998 1.7370 1.7370 2.2213 2.2213 2.5549 2.5549 2.6362 2.6362 2.7868 2.7868 4.8323 4.8323 5.3143 5.3143 5.4139 5.4139 5.6326 5.6326 5.8383 5.8383 k = 0.3261 0.1580 0.1056 ( 8219 PWs) bands (ev): -10.5861 -10.5861 -10.1117 -10.1117 -8.9549 -8.9549 -8.9509 -8.9509 -8.8828 -8.8828 -8.8797 -8.8797 -6.9579 -6.9579 -6.2059 -6.2059 -1.3591 -1.3591 -1.2219 -1.2219 -1.0346 -1.0346 -0.9296 -0.9296 -0.7008 -0.7008 0.3045 0.3045 0.6971 0.6971 0.9202 0.9202 0.9685 0.9685 1.2459 1.2459 1.3825 1.3825 1.4987 1.4987 1.6115 1.6115 1.7450 1.7450 2.2368 2.2368 2.5511 2.5511 2.6390 2.6390 2.7845 2.7845 4.8199 4.8199 5.2836 5.2836 5.3866 5.3866 5.6266 5.6266 5.8414 5.8414 k = 0.3043 0.1475 0.0986 ( 8222 PWs) bands (ev): -10.5925 -10.5925 -10.1034 -10.1034 -8.9551 -8.9551 -8.9511 -8.9511 -8.8824 -8.8824 -8.8793 -8.8793 -6.9508 -6.9508 -6.2180 -6.2180 -1.3594 -1.3594 -1.2246 -1.2246 -1.0409 -1.0409 -0.9429 -0.9429 -0.7150 -0.7150 0.3030 0.3030 0.6973 0.6973 0.9283 0.9283 0.9837 0.9837 1.2684 1.2684 1.3989 1.3989 1.5065 1.5065 1.6241 1.6241 1.7542 1.7542 2.2525 2.2525 2.5474 2.5474 2.6414 2.6414 2.7805 2.7805 4.8077 4.8077 5.2529 5.2529 5.3596 5.3596 5.6193 5.6193 5.8430 5.8430 k = 0.2826 0.1370 0.0915 ( 8210 PWs) bands (ev): -10.5991 -10.5991 -10.0949 -10.0949 -8.9554 -8.9554 -8.9514 -8.9514 -8.8820 -8.8820 -8.8789 -8.8789 -6.9431 -6.9431 -6.2310 -6.2310 -1.3593 -1.3593 -1.2272 -1.2272 -1.0469 -1.0469 -0.9571 -0.9571 -0.7302 -0.7302 0.2999 0.2999 0.6938 0.6938 0.9435 0.9435 1.0010 1.0010 1.2917 1.2917 1.4150 1.4150 1.5142 1.5142 1.6372 1.6372 1.7648 1.7648 2.2679 2.2679 2.5438 2.5438 2.6432 2.6432 2.7745 2.7745 4.7960 4.7960 5.2232 5.2232 5.3335 5.3335 5.6107 5.6107 5.8430 5.8430 k = 0.2609 0.1264 0.0845 ( 8210 PWs) bands (ev): -10.6056 -10.6056 -10.0864 -10.0864 -8.9556 -8.9556 -8.9517 -8.9517 -8.8816 -8.8816 -8.8784 -8.8784 -6.9349 -6.9349 -6.2447 -6.2447 -1.3588 -1.3588 -1.2298 -1.2298 -1.0524 -1.0524 -0.9722 -0.9722 -0.7464 -0.7464 0.2955 0.2955 0.6869 0.6869 0.9656 0.9656 1.0203 1.0203 1.3153 1.3153 1.4303 1.4303 1.5221 1.5221 1.6504 1.6504 1.7768 1.7768 2.2824 2.2824 2.5404 2.5404 2.6442 2.6442 2.7663 2.7663 4.7853 4.7853 5.1950 5.1950 5.3089 5.3089 5.6011 5.6011 5.8413 5.8413 k = 0.2391 0.1159 0.0775 ( 8189 PWs) bands (ev): -10.6120 -10.6120 -10.0780 -10.0780 -8.9559 -8.9559 -8.9519 -8.9519 -8.8812 -8.8812 -8.8780 -8.8780 -6.9263 -6.9263 -6.2588 -6.2588 -1.3578 -1.3578 -1.2323 -1.2323 -1.0573 -1.0573 -0.9879 -0.9879 -0.7631 -0.7631 0.2900 0.2900 0.6773 0.6773 0.9934 0.9934 1.0413 1.0413 1.3384 1.3384 1.4445 1.4445 1.5305 1.5305 1.6634 1.6634 1.7901 1.7901 2.2952 2.2952 2.5373 2.5373 2.6445 2.6445 2.7559 2.7559 4.7756 4.7756 5.1690 5.1690 5.2862 5.2862 5.5904 5.5904 5.8381 5.8381 k = 0.2174 0.1054 0.0704 ( 8183 PWs) bands (ev): -10.6181 -10.6181 -10.0698 -10.0698 -8.9561 -8.9561 -8.9522 -8.9522 -8.8808 -8.8808 -8.8776 -8.8776 -6.9174 -6.9174 -6.2732 -6.2732 -1.3563 -1.3563 -1.2345 -1.2345 -1.0613 -1.0613 -1.0039 -1.0039 -0.7802 -0.7802 0.2837 0.2837 0.6660 0.6660 1.0254 1.0254 1.0636 1.0636 1.3600 1.3600 1.4571 1.4571 1.5397 1.5397 1.6764 1.6764 1.8048 1.8048 2.3059 2.3059 2.5345 2.5345 2.6440 2.6440 2.7434 2.7434 4.7673 4.7673 5.1457 5.1457 5.2658 5.2658 5.5791 5.5791 5.8334 5.8334 k = 0.1957 0.0948 0.0634 ( 8177 PWs) bands (ev): -10.6239 -10.6239 -10.0621 -10.0621 -8.9564 -8.9564 -8.9525 -8.9525 -8.8804 -8.8804 -8.8772 -8.8772 -6.9083 -6.9083 -6.2875 -6.2875 -1.3543 -1.3543 -1.2366 -1.2366 -1.0644 -1.0644 -1.0200 -1.0200 -0.7973 -0.7973 0.2771 0.2771 0.6539 0.6539 1.0603 1.0603 1.0869 1.0869 1.3789 1.3789 1.4681 1.4681 1.5499 1.5499 1.6895 1.6895 1.8205 1.8205 2.3136 2.3136 2.5320 2.5320 2.6428 2.6428 2.7293 2.7293 4.7602 4.7602 5.1254 5.1254 5.2480 5.2480 5.5672 5.5672 5.8275 5.8275 k = 0.1739 0.0843 0.0563 ( 8165 PWs) bands (ev): -10.6293 -10.6293 -10.0549 -10.0549 -8.9566 -8.9566 -8.9527 -8.9527 -8.8801 -8.8801 -8.8768 -8.8768 -6.8993 -6.8993 -6.3016 -6.3016 -1.3518 -1.3518 -1.2385 -1.2385 -1.0667 -1.0667 -1.0360 -1.0360 -0.8142 -0.8142 0.2703 0.2703 0.6417 0.6417 1.0967 1.0967 1.1106 1.1106 1.3943 1.3943 1.4772 1.4772 1.5609 1.5609 1.7032 1.7032 1.8373 1.8373 2.3179 2.3179 2.5299 2.5299 2.6407 2.6407 2.7140 2.7140 4.7543 4.7543 5.1083 5.1083 5.2328 5.2328 5.5551 5.5551 5.8206 5.8206 k = 0.1522 0.0738 0.0493 ( 8180 PWs) bands (ev): -10.6342 -10.6342 -10.0482 -10.0482 -8.9568 -8.9568 -8.9529 -8.9529 -8.8797 -8.8797 -8.8765 -8.8765 -6.8904 -6.8904 -6.3151 -6.3151 -1.3488 -1.3488 -1.2401 -1.2401 -1.0679 -1.0679 -1.0514 -1.0514 -0.8306 -0.8306 0.2637 0.2637 0.6299 0.6299 1.1336 1.1336 1.1343 1.1343 1.4055 1.4055 1.4842 1.4842 1.5721 1.5721 1.7175 1.7175 1.8553 1.8553 2.3183 2.3183 2.5282 2.5282 2.6381 2.6381 2.6984 2.6984 4.7497 4.7497 5.0945 5.0945 5.2203 5.2203 5.5431 5.5431 5.8131 5.8131 k = 0.1304 0.0632 0.0422 ( 8180 PWs) bands (ev): -10.6386 -10.6386 -10.0423 -10.0423 -8.9570 -8.9570 -8.9531 -8.9531 -8.8794 -8.8794 -8.8761 -8.8761 -6.8820 -6.8820 -6.3278 -6.3278 -1.3455 -1.3455 -1.2414 -1.2414 -1.0684 -1.0684 -1.0660 -1.0660 -0.8461 -0.8461 0.2575 0.2575 0.6190 0.6190 1.1572 1.1572 1.1700 1.1700 1.4125 1.4125 1.4894 1.4894 1.5826 1.5826 1.7321 1.7321 1.8747 1.8747 2.3142 2.3142 2.5269 2.5269 2.6350 2.6350 2.6832 2.6832 4.7460 4.7460 5.0838 5.0838 5.2103 5.2103 5.5317 5.5317 5.8054 5.8054 k = 0.1087 0.0527 0.0352 ( 8159 PWs) bands (ev): -10.6423 -10.6423 -10.0372 -10.0372 -8.9571 -8.9571 -8.9533 -8.9533 -8.8792 -8.8792 -8.8759 -8.8759 -6.8743 -6.8743 -6.3393 -6.3393 -1.3420 -1.3420 -1.2426 -1.2426 -1.0793 -1.0793 -1.0680 -1.0680 -0.8602 -0.8602 0.2519 0.2519 0.6093 0.6093 1.1788 1.1788 1.2048 1.2048 1.4156 1.4156 1.4927 1.4927 1.5917 1.5917 1.7463 1.7463 1.8957 1.8957 2.3059 2.3059 2.5260 2.5260 2.6317 2.6317 2.6693 2.6693 4.7433 4.7433 5.0759 5.0759 5.2026 5.2026 5.5211 5.5211 5.7979 5.7979 k = 0.0870 0.0421 0.0282 ( 8159 PWs) bands (ev): -10.6455 -10.6455 -10.0328 -10.0328 -8.9573 -8.9573 -8.9534 -8.9534 -8.8790 -8.8790 -8.8756 -8.8756 -6.8675 -6.8675 -6.3492 -6.3492 -1.3386 -1.3386 -1.2435 -1.2435 -1.0911 -1.0911 -1.0672 -1.0672 -0.8727 -0.8727 0.2471 0.2471 0.6011 0.6011 1.1981 1.1981 1.2371 1.2371 1.4152 1.4152 1.4944 1.4944 1.5990 1.5990 1.7588 1.7588 1.9181 1.9181 2.2939 2.2939 2.5254 2.5254 2.6284 2.6284 2.6574 2.6574 4.7413 4.7413 5.0704 5.0704 5.1970 5.1970 5.5117 5.5117 5.7909 5.7909 k = 0.0652 0.0316 0.0211 ( 8165 PWs) bands (ev): -10.6480 -10.6480 -10.0294 -10.0294 -8.9574 -8.9574 -8.9535 -8.9535 -8.8788 -8.8788 -8.8755 -8.8755 -6.8619 -6.8619 -6.3574 -6.3574 -1.3355 -1.3355 -1.2442 -1.2442 -1.1009 -1.1009 -1.0660 -1.0660 -0.8831 -0.8831 0.2433 0.2433 0.5945 0.5945 1.2145 1.2145 1.2659 1.2659 1.4120 1.4120 1.4950 1.4950 1.6045 1.6045 1.7689 1.7689 1.9406 1.9406 2.2795 2.2795 2.5251 2.5251 2.6255 2.6255 2.6480 2.6480 4.7399 4.7399 5.0668 5.0668 5.1931 5.1931 5.5040 5.5040 5.7850 5.7850 k = 0.0435 0.0211 0.0141 ( 8150 PWs) bands (ev): -10.6497 -10.6497 -10.0270 -10.0270 -8.9575 -8.9575 -8.9536 -8.9536 -8.8787 -8.8787 -8.8753 -8.8753 -6.8577 -6.8577 -6.3634 -6.3634 -1.3330 -1.3330 -1.2447 -1.2447 -1.1082 -1.1082 -1.0648 -1.0648 -0.8910 -0.8910 0.2404 0.2404 0.5896 0.5896 1.2270 1.2270 1.2898 1.2898 1.4067 1.4067 1.4949 1.4949 1.6082 1.6082 1.7761 1.7761 1.9609 1.9609 2.2651 2.2651 2.5250 2.5250 2.6231 2.6231 2.6412 2.6412 4.7389 4.7389 5.0647 5.0647 5.1906 5.1906 5.4983 5.4983 5.7799 5.7799 k = 0.0217 0.0105 0.0070 ( 8145 PWs) bands (ev): -10.6508 -10.6508 -10.0255 -10.0255 -8.9575 -8.9575 -8.9537 -8.9537 -8.8786 -8.8786 -8.8752 -8.8752 -6.8551 -6.8551 -6.3671 -6.3671 -1.3314 -1.3314 -1.2450 -1.2450 -1.1128 -1.1128 -1.0640 -1.0640 -0.8958 -0.8958 0.2387 0.2387 0.5867 0.5867 1.2348 1.2348 1.3065 1.3065 1.4014 1.4014 1.4945 1.4945 1.6104 1.6104 1.7804 1.7804 1.9755 1.9755 2.2542 2.2542 2.5249 2.5249 2.6216 2.6216 2.6372 2.6372 4.7384 4.7384 5.0636 5.0636 5.1892 5.1892 5.4947 5.4947 5.7763 5.7763 k = 0.0000 0.0000 0.0000 ( 8139 PWs) bands (ev): -10.6512 -10.6512 -10.0250 -10.0250 -8.9575 -8.9575 -8.9537 -8.9537 -8.8786 -8.8786 -8.8752 -8.8752 -6.8542 -6.8542 -6.3684 -6.3684 -1.3308 -1.3308 -1.2451 -1.2451 -1.1143 -1.1143 -1.0636 -1.0636 -0.8975 -0.8975 0.2381 0.2381 0.5857 0.5857 1.2375 1.2375 1.3127 1.3127 1.3990 1.3990 1.4943 1.4943 1.6110 1.6110 1.7818 1.7818 1.9809 1.9809 2.2500 2.2500 2.5249 2.5249 2.6211 2.6211 2.6359 2.6359 4.7383 4.7383 5.0633 5.0633 5.1888 5.1888 5.4935 5.4935 5.7751 5.7751 k = 0.0000 0.0000 0.0000 ( 8139 PWs) bands (ev): -10.6512 -10.6512 -10.0250 -10.0250 -8.9575 -8.9575 -8.9537 -8.9537 -8.8786 -8.8786 -8.8752 -8.8752 -6.8542 -6.8542 -6.3684 -6.3684 -1.3308 -1.3308 -1.2451 -1.2451 -1.1143 -1.1143 -1.0636 -1.0636 -0.8975 -0.8975 0.2381 0.2381 0.5857 0.5857 1.2375 1.2375 1.3127 1.3127 1.3990 1.3990 1.4943 1.4943 1.6110 1.6110 1.7818 1.7818 1.9809 1.9809 2.2500 2.2500 2.5249 2.5249 2.6211 2.6211 2.6359 2.6359 4.7383 4.7383 5.0633 5.0633 5.1888 5.1888 5.4935 5.4935 5.7751 5.7751 k = 0.0113-0.0089-0.0215 ( 8143 PWs) bands (ev): -10.6505 -10.6505 -10.0252 -10.0252 -8.9580 -8.9580 -8.9541 -8.9541 -8.8788 -8.8788 -8.8755 -8.8755 -6.8531 -6.8531 -6.3682 -6.3682 -1.3304 -1.3304 -1.2469 -1.2469 -1.1156 -1.1156 -1.0603 -1.0603 -0.8954 -0.8954 0.2381 0.2381 0.5874 0.5874 1.2307 1.2307 1.3162 1.3162 1.3975 1.3975 1.4890 1.4890 1.6151 1.6151 1.7826 1.7826 1.9813 1.9813 2.2489 2.2489 2.5205 2.5205 2.6222 2.6222 2.6377 2.6377 4.7406 4.7406 5.0637 5.0637 5.1880 5.1880 5.4940 5.4940 5.7754 5.7754 k = 0.0226-0.0178-0.0431 ( 8133 PWs) bands (ev): -10.6487 -10.6487 -10.0258 -10.0258 -8.9594 -8.9594 -8.9554 -8.9554 -8.8798 -8.8798 -8.8762 -8.8762 -6.8499 -6.8499 -6.3677 -6.3677 -1.3291 -1.3291 -1.2518 -1.2518 -1.1184 -1.1184 -1.0519 -1.0519 -0.8888 -0.8888 0.2379 0.2379 0.5923 0.5923 1.2133 1.2133 1.3231 1.3231 1.3932 1.3932 1.4755 1.4755 1.6249 1.6249 1.7847 1.7847 1.9825 1.9825 2.2456 2.2456 2.5083 2.5083 2.6251 2.6251 2.6424 2.6424 4.7473 4.7473 5.0651 5.0651 5.1860 5.1860 5.4955 5.4955 5.7758 5.7758 k = 0.0339-0.0268-0.0646 ( 8141 PWs) bands (ev): -10.6456 -10.6456 -10.0268 -10.0268 -8.9618 -8.9618 -8.9573 -8.9573 -8.8817 -8.8817 -8.8771 -8.8771 -6.8446 -6.8446 -6.3670 -6.3670 -1.3273 -1.3273 -1.2591 -1.2591 -1.1206 -1.1206 -1.0413 -1.0413 -0.8776 -0.8776 0.2376 0.2376 0.6003 0.6003 1.1897 1.1897 1.3270 1.3270 1.3869 1.3869 1.4596 1.4596 1.6369 1.6369 1.7879 1.7879 1.9844 1.9844 2.2409 2.2409 2.4902 2.4902 2.6288 2.6288 2.6489 2.6489 4.7579 4.7579 5.0673 5.0673 5.1830 5.1830 5.4977 5.4977 5.7762 5.7762 k = 0.0452-0.0357-0.0862 ( 8135 PWs) bands (ev): -10.6413 -10.6413 -10.0283 -10.0283 -8.9652 -8.9652 -8.9596 -8.9596 -8.8847 -8.8847 -8.8781 -8.8781 -6.8373 -6.8373 -6.3660 -6.3660 -1.3253 -1.3253 -1.2675 -1.2675 -1.1214 -1.1214 -1.0305 -1.0305 -0.8616 -0.8616 0.2369 0.2369 0.6110 0.6110 1.1621 1.1621 1.3226 1.3226 1.3792 1.3792 1.4472 1.4472 1.6484 1.6484 1.7919 1.7919 1.9866 1.9866 2.2355 2.2355 2.4682 2.4682 2.6323 2.6323 2.6562 2.6562 4.7716 4.7716 5.0706 5.0706 5.1795 5.1795 5.5004 5.5004 5.7767 5.7767 k = 0.0565-0.0446-0.1077 ( 8139 PWs) bands (ev): -10.6358 -10.6358 -10.0303 -10.0303 -8.9696 -8.9696 -8.9625 -8.9625 -8.8886 -8.8886 -8.8792 -8.8792 -6.8280 -6.8280 -6.3647 -6.3647 -1.3239 -1.3239 -1.2756 -1.2756 -1.1203 -1.1203 -1.0206 -1.0206 -0.8410 -0.8410 0.2357 0.2357 0.6240 0.6240 1.1316 1.1316 1.3073 1.3073 1.3702 1.3702 1.4426 1.4426 1.6577 1.6577 1.7964 1.7964 1.9888 1.9888 2.2302 2.2302 2.4436 2.4436 2.6350 2.6350 2.6634 2.6634 4.7874 4.7874 5.0749 5.0749 5.1761 5.1761 5.5032 5.5032 5.7774 5.7774 k = 0.0678-0.0535-0.1293 ( 8131 PWs) bands (ev): -10.6291 -10.6291 -10.0328 -10.0328 -8.9748 -8.9748 -8.9657 -8.9657 -8.8935 -8.8935 -8.8805 -8.8805 -6.8170 -6.8170 -6.3632 -6.3632 -1.3240 -1.3240 -1.2818 -1.2818 -1.1173 -1.1173 -1.0118 -1.0118 -0.8162 -0.8162 0.2338 0.2338 0.6389 0.6389 1.0987 1.0987 1.2825 1.2825 1.3607 1.3607 1.4450 1.4450 1.6643 1.6643 1.8013 1.8013 1.9904 1.9904 2.2256 2.2256 2.4181 2.4181 2.6363 2.6363 2.6698 2.6698 4.8039 4.8039 5.0805 5.0805 5.1735 5.1735 5.5057 5.5057 5.7784 5.7784 k = 0.0791-0.0624-0.1508 ( 8123 PWs) bands (ev): -10.6213 -10.6213 -10.0358 -10.0358 -8.9805 -8.9805 -8.9695 -8.9695 -8.8993 -8.8993 -8.8819 -8.8819 -6.8042 -6.8042 -6.3616 -6.3616 -1.3266 -1.3266 -1.2848 -1.2848 -1.1123 -1.1123 -1.0039 -1.0039 -0.7882 -0.7882 0.2309 0.2309 0.6549 0.6549 1.0639 1.0639 1.2519 1.2519 1.3518 1.3518 1.4511 1.4511 1.6678 1.6678 1.8065 1.8065 1.9909 1.9909 2.2220 2.2220 2.3928 2.3928 2.6362 2.6362 2.6747 2.6747 4.8200 4.8200 5.0874 5.0874 5.1723 5.1723 5.5077 5.5077 5.7797 5.7797 k = 0.0904-0.0714-0.1724 ( 8141 PWs) bands (ev): -10.6123 -10.6123 -10.0395 -10.0395 -8.9865 -8.9865 -8.9737 -8.9737 -8.9059 -8.9059 -8.8836 -8.8836 -6.7900 -6.7900 -6.3599 -6.3599 -1.3316 -1.3316 -1.2846 -1.2846 -1.1053 -1.1053 -0.9965 -0.9965 -0.7576 -0.7576 0.2267 0.2267 0.6714 0.6714 1.0277 1.0277 1.2186 1.2186 1.3444 1.3444 1.4581 1.4581 1.6684 1.6684 1.8120 1.8120 1.9901 1.9901 2.2191 2.2191 2.3693 2.3693 2.6346 2.6346 2.6776 2.6776 4.8344 4.8344 5.0958 5.0958 5.1729 5.1729 5.5088 5.5088 5.7814 5.7814 k = 0.1017-0.0803-0.1939 ( 8145 PWs) bands (ev): -10.6023 -10.6023 -10.0438 -10.0438 -8.9927 -8.9927 -8.9783 -8.9783 -8.9133 -8.9133 -8.8854 -8.8854 -6.7744 -6.7744 -6.3582 -6.3582 -1.3378 -1.3378 -1.2821 -1.2821 -1.0967 -1.0967 -0.9891 -0.9891 -0.7255 -0.7255 0.2208 0.2208 0.6875 0.6875 0.9905 0.9905 1.1847 1.1847 1.3387 1.3387 1.4641 1.4641 1.6670 1.6670 1.8176 1.8176 1.9878 1.9878 2.2161 2.2161 2.3493 2.3493 2.6317 2.6317 2.6782 2.6782 4.8463 4.8463 5.1055 5.1055 5.1759 5.1759 5.5089 5.5089 5.7834 5.7834 k = 0.1130-0.0892-0.2154 ( 8161 PWs) bands (ev): -10.5912 -10.5912 -10.0488 -10.0488 -8.9988 -8.9988 -8.9833 -8.9833 -8.9213 -8.9213 -8.8875 -8.8875 -6.7576 -6.7576 -6.3565 -6.3565 -1.3440 -1.3440 -1.2785 -1.2785 -1.0868 -1.0868 -0.9812 -0.9812 -0.6926 -0.6926 0.2129 0.2129 0.7024 0.7024 0.9532 0.9532 1.1518 1.1518 1.3351 1.3351 1.4680 1.4680 1.6643 1.6643 1.8235 1.8235 1.9841 1.9841 2.2116 2.2116 2.3342 2.3342 2.6273 2.6273 2.6761 2.6761 4.8551 4.8551 5.1162 5.1162 5.1815 5.1815 5.5081 5.5081 5.7856 5.7856 k = 0.1243-0.0981-0.2370 ( 8165 PWs) bands (ev): -10.5792 -10.5792 -10.0545 -10.0545 -9.0047 -9.0047 -8.9886 -8.9886 -8.9300 -8.9300 -8.8897 -8.8897 -6.7398 -6.7398 -6.3549 -6.3549 -1.3497 -1.3497 -1.2740 -1.2740 -1.0760 -1.0760 -0.9722 -0.9722 -0.6596 -0.6596 0.2028 0.2028 0.7150 0.7150 0.9166 0.9166 1.1211 1.1211 1.3335 1.3335 1.4690 1.4690 1.6613 1.6613 1.8298 1.8298 1.9793 1.9793 2.2049 2.2049 2.3250 2.3250 2.6217 2.6217 2.6715 2.6715 4.8608 4.8608 5.1270 5.1270 5.1899 5.1899 5.5065 5.5065 5.7878 5.7878 k = 0.1356-0.1070-0.2585 ( 8177 PWs) bands (ev): -10.5662 -10.5662 -10.0611 -10.0611 -9.0102 -9.0102 -8.9943 -8.9943 -8.9391 -8.9391 -8.8922 -8.8922 -6.7212 -6.7212 -6.3535 -6.3535 -1.3546 -1.3546 -1.2688 -1.2688 -1.0650 -1.0650 -0.9617 -0.9617 -0.6272 -0.6272 0.1902 0.1902 0.7240 0.7240 0.8820 0.8820 1.0936 1.0936 1.3334 1.3334 1.4669 1.4669 1.6584 1.6584 1.8367 1.8367 1.9737 1.9737 2.1962 2.1962 2.3210 2.3210 2.6148 2.6148 2.6645 2.6645 4.8636 4.8636 5.1372 5.1372 5.2011 5.2011 5.5044 5.5044 5.7898 5.7898 k = 0.1469-0.1160-0.2801 ( 8181 PWs) bands (ev): -10.5523 -10.5523 -10.0684 -10.0684 -9.0152 -9.0152 -9.0002 -9.0002 -8.9486 -8.9486 -8.8948 -8.8948 -6.7019 -6.7019 -6.3523 -6.3523 -1.3583 -1.3583 -1.2631 -1.2631 -1.0545 -1.0545 -0.9493 -0.9493 -0.5960 -0.5960 0.1747 0.1747 0.7278 0.7278 0.8514 0.8514 1.0699 1.0699 1.3340 1.3340 1.4627 1.4627 1.6558 1.6558 1.8445 1.8445 1.9679 1.9679 2.1867 2.1867 2.3207 2.3207 2.6067 2.6067 2.6555 2.6555 4.8638 4.8638 5.1458 5.1458 5.2149 5.2149 5.5023 5.5023 5.7912 5.7912 k = 0.1582-0.1249-0.3016 ( 8183 PWs) bands (ev): -10.5376 -10.5376 -10.0766 -10.0766 -9.0197 -9.0197 -9.0062 -9.0062 -8.9584 -8.9584 -8.8975 -8.8975 -6.6822 -6.6822 -6.3514 -6.3514 -1.3610 -1.3610 -1.2566 -1.2566 -1.0451 -1.0451 -0.9347 -0.9347 -0.5664 -0.5664 0.1564 0.1564 0.7241 0.7241 0.8274 0.8274 1.0507 1.0507 1.3336 1.3336 1.4580 1.4580 1.6528 1.6528 1.8534 1.8534 1.9622 1.9622 2.1777 2.1777 2.3221 2.3221 2.5974 2.5974 2.6451 2.6451 4.8619 4.8619 5.1526 5.1526 5.2304 5.2304 5.5006 5.5006 5.7917 5.7917 k = 0.1695-0.1338-0.3232 ( 8185 PWs) bands (ev): -10.5222 -10.5222 -10.0856 -10.0856 -9.0239 -9.0239 -9.0120 -9.0120 -8.9682 -8.9682 -8.9005 -8.9005 -6.6621 -6.6621 -6.3510 -6.3510 -1.3625 -1.3625 -1.2494 -1.2494 -1.0371 -1.0371 -0.9182 -0.9182 -0.5391 -0.5391 0.1351 0.1351 0.7114 0.7114 0.8122 0.8122 1.0362 1.0362 1.3302 1.3302 1.4552 1.4552 1.6488 1.6488 1.8634 1.8634 1.9570 1.9570 2.1704 2.1704 2.3238 2.3238 2.5870 2.5870 2.6337 2.6337 4.8582 4.8582 5.1572 5.1572 5.2469 5.2469 5.5003 5.5003 5.7911 5.7911 k = 0.1808-0.1427-0.3447 ( 8187 PWs) bands (ev): -10.5061 -10.5061 -10.0953 -10.0953 -9.0281 -9.0281 -9.0173 -9.0173 -8.9780 -8.9780 -8.9035 -8.9035 -6.6419 -6.6419 -6.3510 -6.3510 -1.3627 -1.3627 -1.2413 -1.2413 -1.0308 -1.0308 -0.9001 -0.9001 -0.5142 -0.5142 0.1110 0.1110 0.6917 0.6917 0.8046 0.8046 1.0262 1.0262 1.3226 1.3226 1.4563 1.4563 1.6434 1.6434 1.8742 1.8742 1.9530 1.9530 2.1654 2.1654 2.3247 2.3247 2.5759 2.5759 2.6219 2.6219 4.8531 4.8531 5.1595 5.1595 5.2636 5.2636 5.5020 5.5020 5.7891 5.7891 k = 0.1921-0.1516-0.3663 ( 8185 PWs) bands (ev): -10.4895 -10.4895 -10.1059 -10.1059 -9.0330 -9.0330 -9.0215 -9.0215 -8.9874 -8.9874 -8.9067 -8.9067 -6.6217 -6.6217 -6.3515 -6.3515 -1.3618 -1.3618 -1.2323 -1.2323 -1.0261 -1.0261 -0.8809 -0.8809 -0.4919 -0.4919 0.0843 0.0843 0.6686 0.6686 0.8020 0.8020 1.0203 1.0203 1.3110 1.3110 1.4611 1.4611 1.6364 1.6364 1.8848 1.8848 1.9507 1.9507 2.1629 2.1629 2.3239 2.3239 2.5644 2.5644 2.6101 2.6101 4.8468 4.8468 5.1592 5.1592 5.2798 5.2798 5.5064 5.5064 5.7857 5.7857 k = 0.2034-0.1606-0.3878 ( 8175 PWs) bands (ev): -10.4724 -10.4724 -10.1172 -10.1172 -9.0388 -9.0388 -9.0247 -9.0247 -8.9959 -8.9959 -8.9099 -8.9099 -6.6016 -6.6016 -6.3526 -6.3526 -1.3596 -1.3596 -1.2225 -1.2225 -1.0229 -1.0229 -0.8612 -0.8612 -0.4724 -0.4724 0.0554 0.0554 0.6448 0.6448 0.8025 0.8025 1.0175 1.0175 1.2970 1.2970 1.4680 1.4680 1.6283 1.6283 1.8936 1.8936 1.9512 1.9512 2.1631 2.1631 2.3212 2.3212 2.5531 2.5531 2.5983 2.5983 4.8396 4.8396 5.1559 5.1559 5.2954 5.2954 5.5139 5.5139 5.7810 5.7810 k = 0.2147-0.1695-0.4093 ( 8181 PWs) bands (ev): -10.4548 -10.4548 -10.1291 -10.1291 -9.0452 -9.0452 -9.0279 -9.0279 -9.0026 -9.0026 -8.9131 -8.9131 -6.5818 -6.5818 -6.3543 -6.3543 -1.3563 -1.3563 -1.2119 -1.2119 -1.0212 -1.0212 -0.8417 -0.8417 -0.4553 -0.4553 0.0246 0.0246 0.6219 0.6219 0.8057 0.8057 1.0165 1.0165 1.2826 1.2826 1.4746 1.4746 1.6202 1.6202 1.8993 1.8993 1.9552 1.9552 2.1660 2.1660 2.3165 2.3165 2.5424 2.5424 2.5868 2.5868 4.8318 4.8318 5.1498 5.1498 5.3102 5.3102 5.5245 5.5245 5.7752 5.7752 k = 0.2260-0.1784-0.4309 ( 8179 PWs) bands (ev): -10.4370 -10.4370 -10.1416 -10.1416 -9.0520 -9.0520 -9.0325 -9.0325 -9.0064 -9.0064 -8.9164 -8.9164 -6.5623 -6.5623 -6.3568 -6.3568 -1.3519 -1.3519 -1.2006 -1.2006 -1.0209 -1.0209 -0.8227 -0.8227 -0.4406 -0.4406 -0.0074 -0.0074 0.6005 0.6005 0.8114 0.8114 1.0158 1.0158 1.2698 1.2698 1.4783 1.4783 1.6137 1.6137 1.9015 1.9015 1.9623 1.9623 2.1713 2.1713 2.3099 2.3099 2.5327 2.5327 2.5757 2.5757 4.8237 4.8237 5.1407 5.1407 5.3245 5.3245 5.5378 5.5378 5.7687 5.7687 k = 0.2373-0.1873-0.4524 ( 8181 PWs) bands (ev): -10.4190 -10.4190 -10.1547 -10.1547 -9.0588 -9.0588 -9.0390 -9.0390 -9.0070 -9.0070 -8.9195 -8.9195 -6.5434 -6.5434 -6.3599 -6.3599 -1.3464 -1.3464 -1.1888 -1.1888 -1.0218 -1.0218 -0.8048 -0.8048 -0.4280 -0.4280 -0.0402 -0.0402 0.5808 0.5808 0.8198 0.8198 1.0139 1.0139 1.2601 1.2601 1.4771 1.4771 1.6104 1.6104 1.9011 1.9011 1.9705 1.9705 2.1788 2.1788 2.3021 2.3021 2.5240 2.5240 2.5654 2.5654 4.8156 4.8156 5.1291 5.1291 5.3385 5.3385 5.5527 5.5527 5.7623 5.7623 k = 0.2486-0.1962-0.4740 ( 8195 PWs) bands (ev): -10.4009 -10.4009 -10.1682 -10.1682 -9.0655 -9.0655 -9.0465 -9.0465 -9.0053 -9.0053 -8.9226 -8.9226 -6.5251 -6.5251 -6.3638 -6.3638 -1.3399 -1.3399 -1.1768 -1.1768 -1.0237 -1.0237 -0.7884 -0.7884 -0.4173 -0.4173 -0.0730 -0.0730 0.5631 0.5631 0.8309 0.8309 1.0095 1.0095 1.2542 1.2542 1.4704 1.4704 1.6109 1.6109 1.8992 1.8992 1.9784 1.9784 2.1881 2.1881 2.2937 2.2937 2.5158 2.5158 2.5561 2.5561 4.8078 4.8078 5.1155 5.1155 5.3523 5.3523 5.5679 5.5679 5.7567 5.7567 k = 0.2599-0.2052-0.4955 ( 8193 PWs) bands (ev): -10.3829 -10.3829 -10.1819 -10.1819 -9.0722 -9.0722 -9.0542 -9.0542 -9.0022 -9.0022 -8.9253 -8.9253 -6.5074 -6.5074 -6.3684 -6.3684 -1.3324 -1.3324 -1.1651 -1.1651 -1.0259 -1.0259 -0.7735 -0.7735 -0.4085 -0.4085 -0.1049 -0.1049 0.5474 0.5474 0.8444 0.8444 1.0022 1.0022 1.2517 1.2517 1.4594 1.4594 1.6147 1.6147 1.8965 1.8965 1.9847 1.9847 2.1984 2.1984 2.2857 2.2857 2.5077 2.5077 2.5486 2.5486 4.8008 4.8008 5.1005 5.1005 5.3661 5.3661 5.5819 5.5819 5.7534 5.7534 k = 0.2712-0.2141-0.5171 ( 8181 PWs) bands (ev): -10.3650 -10.3650 -10.1959 -10.1959 -9.0787 -9.0787 -9.0617 -9.0617 -8.9983 -8.9983 -8.9277 -8.9277 -6.4905 -6.4905 -6.3738 -6.3738 -1.3242 -1.3242 -1.1544 -1.1544 -1.0279 -1.0279 -0.7606 -0.7606 -0.4019 -0.4019 -0.1349 -0.1349 0.5336 0.5336 0.8596 0.8596 0.9926 0.9926 1.2511 1.2511 1.4464 1.4464 1.6203 1.6203 1.8932 1.8932 1.9889 1.9889 2.2088 2.2088 2.2789 2.2789 2.4990 2.4990 2.5435 2.5435 4.7949 4.7949 5.0846 5.0846 5.3795 5.3795 5.5929 5.5929 5.7538 5.7538 k = 0.2825-0.2230-0.5386 ( 8179 PWs) bands (ev): -10.3473 -10.3473 -10.2100 -10.2100 -9.0850 -9.0850 -9.0688 -9.0688 -8.9940 -8.9940 -8.9295 -8.9295 -6.4744 -6.4744 -6.3799 -6.3799 -1.3153 -1.3153 -1.1456 -1.1456 -1.0283 -1.0283 -0.7496 -0.7496 -0.3984 -0.3984 -0.1616 -0.1616 0.5219 0.5219 0.8753 0.8753 0.9824 0.9824 1.2501 1.2501 1.4338 1.4338 1.6265 1.6265 1.8895 1.8895 1.9911 1.9911 2.2176 2.2176 2.2747 2.2747 2.4895 2.4895 2.5409 2.5409 4.7905 4.7905 5.0686 5.0686 5.3921 5.3921 5.5998 5.5998 5.7589 5.7589 k = 0.2938-0.2319-0.5602 ( 8179 PWs) bands (ev): -10.3301 -10.3301 -10.2241 -10.2241 -9.0913 -9.0913 -9.0750 -9.0750 -8.9898 -8.9898 -8.9305 -8.9305 -6.4592 -6.4592 -6.3866 -6.3866 -1.3059 -1.3059 -1.1397 -1.1397 -1.0260 -1.0260 -0.7407 -0.7407 -0.3991 -0.3991 -0.1831 -0.1831 0.5120 0.5120 0.8885 0.8885 0.9747 0.9747 1.2466 1.2466 1.4237 1.4237 1.6324 1.6324 1.8855 1.8855 1.9913 1.9913 2.2230 2.2230 2.2744 2.2744 2.4796 2.4796 2.5407 2.5407 4.7877 4.7877 5.0531 5.0531 5.4033 5.4033 5.6027 5.6027 5.7689 5.7689 k = 0.3051-0.2408-0.5817 ( 8187 PWs) bands (ev): -10.3132 -10.3132 -10.2381 -10.2381 -9.0975 -9.0975 -9.0803 -9.0803 -8.9861 -8.9861 -8.9305 -8.9305 -6.4449 -6.4449 -6.3940 -6.3940 -1.2963 -1.2963 -1.1375 -1.1375 -1.0200 -1.0200 -0.7337 -0.7337 -0.4052 -0.4052 -0.1980 -0.1980 0.5041 0.5041 0.8940 0.8940 0.9749 0.9749 1.2390 1.2390 1.4171 1.4171 1.6374 1.6374 1.8812 1.8812 1.9900 1.9900 2.2243 2.2243 2.2782 2.2782 2.4698 2.4698 2.5425 2.5425 4.7869 4.7869 5.0386 5.0386 5.4118 5.4118 5.6031 5.6031 5.7827 5.7827 k = 0.3164-0.2498-0.6032 ( 8189 PWs) bands (ev): -10.2970 -10.2970 -10.2519 -10.2519 -9.1038 -9.1038 -9.0844 -9.0844 -8.9833 -8.9833 -8.9291 -8.9291 -6.4315 -6.4315 -6.4019 -6.4019 -1.2868 -1.2868 -1.1385 -1.1385 -1.0102 -1.0102 -0.7287 -0.7287 -0.4171 -0.4171 -0.2055 -0.2055 0.4981 0.4981 0.8890 0.8890 0.9856 0.9856 1.2275 1.2275 1.4141 1.4141 1.6410 1.6410 1.8767 1.8767 1.9876 1.9876 2.2227 2.2227 2.2843 2.2843 2.4608 2.4608 2.5461 2.5461 4.7882 4.7882 5.0254 5.0254 5.4162 5.4162 5.6034 5.6034 5.7987 5.7987 k = 0.3277-0.2587-0.6248 ( 8195 PWs) bands (ev): -10.2815 -10.2815 -10.2653 -10.2653 -9.1101 -9.1101 -9.0875 -9.0875 -8.9816 -8.9816 -8.9263 -8.9263 -6.4192 -6.4192 -6.4102 -6.4102 -1.2778 -1.2778 -1.1418 -1.1418 -0.9973 -0.9973 -0.7256 -0.7256 -0.4340 -0.4340 -0.2065 -0.2065 0.4942 0.4942 0.8768 0.8768 1.0029 1.0029 1.2134 1.2134 1.4135 1.4135 1.6428 1.6428 1.8721 1.8721 1.9845 1.9845 2.2197 2.2197 2.2900 2.2900 2.4533 2.4533 2.5512 2.5512 4.7918 4.7918 5.0140 5.0140 5.4154 5.4154 5.6057 5.6057 5.8155 5.8155 k = 0.3390-0.2676-0.6463 ( 8191 PWs) bands (ev): -10.2784 -10.2784 -10.2667 -10.2667 -9.1162 -9.1162 -9.0895 -9.0895 -8.9810 -8.9810 -8.9221 -8.9221 -6.4195 -6.4195 -6.4072 -6.4072 -1.2696 -1.2696 -1.1460 -1.1460 -0.9822 -0.9822 -0.7242 -0.7242 -0.4541 -0.4541 -0.2027 -0.2027 0.4923 0.4923 0.8612 0.8612 1.0221 1.0221 1.1985 1.1985 1.4141 1.4141 1.6425 1.6425 1.8674 1.8674 1.9810 1.9810 2.2164 2.2164 2.2938 2.2938 2.4481 2.4481 2.5576 2.5576 4.7977 4.7977 5.0045 5.0045 5.4084 5.4084 5.6113 5.6113 5.8321 5.8321 k = 0.3504-0.2765-0.6679 ( 8185 PWs) bands (ev): -10.2910 -10.2910 -10.2527 -10.2527 -9.1222 -9.1222 -9.0905 -9.0905 -8.9813 -8.9813 -8.9170 -8.9170 -6.4285 -6.4285 -6.3968 -6.3968 -1.2629 -1.2629 -1.1499 -1.1499 -0.9656 -0.9656 -0.7244 -0.7244 -0.4757 -0.4757 -0.1958 -0.1958 0.4924 0.4924 0.8443 0.8443 1.0402 1.0402 1.1846 1.1846 1.4152 1.4152 1.6401 1.6401 1.8629 1.8629 1.9773 1.9773 2.2130 2.2130 2.2947 2.2947 2.4457 2.4457 2.5652 2.5652 4.8059 4.8059 4.9972 4.9972 5.3954 5.3954 5.6206 5.6206 5.8481 5.8481 k = 0.3617-0.2854-0.6894 ( 8187 PWs) bands (ev): -10.3029 -10.3029 -10.2397 -10.2397 -9.1279 -9.1279 -9.0906 -9.0906 -8.9822 -8.9822 -8.9113 -8.9113 -6.4377 -6.4377 -6.3873 -6.3873 -1.2580 -1.2580 -1.1526 -1.1526 -0.9481 -0.9481 -0.7257 -0.7257 -0.4974 -0.4974 -0.1875 -0.1875 0.4948 0.4948 0.8268 0.8268 1.0549 1.0549 1.1735 1.1735 1.4161 1.4161 1.6353 1.6353 1.8585 1.8585 1.9734 1.9734 2.2095 2.2095 2.2927 2.2927 2.4464 2.4464 2.5737 2.5737 4.8160 4.8160 4.9920 4.9920 5.3774 5.3774 5.6329 5.6329 5.8633 5.8633 k = 0.6383-0.0431-0.5275 ( 8187 PWs) bands (ev): -10.3029 -10.3029 -10.2397 -10.2397 -9.1279 -9.1279 -9.0906 -9.0906 -8.9822 -8.9822 -8.9113 -8.9113 -6.4377 -6.4377 -6.3873 -6.3873 -1.2580 -1.2580 -1.1526 -1.1526 -0.9481 -0.9481 -0.7257 -0.7257 -0.4974 -0.4974 -0.1875 -0.1875 0.4948 0.4948 0.8268 0.8268 1.0549 1.0549 1.1735 1.1735 1.4161 1.4161 1.6353 1.6353 1.8585 1.8585 1.9734 1.9734 2.2095 2.2095 2.2927 2.2927 2.4464 2.4464 2.5737 2.5737 4.8160 4.8160 4.9920 4.9920 5.3774 5.3774 5.6329 5.6329 5.8633 5.8633 k = 0.6277-0.0212-0.5275 ( 8189 PWs) bands (ev): -10.3136 -10.3136 -10.2282 -10.2282 -9.1329 -9.1329 -9.0900 -9.0900 -8.9835 -8.9835 -8.9056 -8.9056 -6.4464 -6.4464 -6.3791 -6.3791 -1.2554 -1.2554 -1.1536 -1.1536 -0.9312 -0.9312 -0.7279 -0.7279 -0.5174 -0.5174 -0.1793 -0.1793 0.4990 0.4990 0.8104 0.8104 1.0643 1.0643 1.1670 1.1670 1.4166 1.4166 1.6290 1.6290 1.8544 1.8544 1.9697 1.9697 2.2055 2.2055 2.2892 2.2892 2.4497 2.4497 2.5825 2.5825 4.8272 4.8272 4.9891 4.9891 5.3570 5.3570 5.6464 5.6464 5.8771 5.8771 k = 0.6171 0.0008-0.5275 ( 8201 PWs) bands (ev): -10.3237 -10.3237 -10.2177 -10.2177 -9.1377 -9.1377 -9.0887 -9.0887 -8.9850 -8.9850 -8.8998 -8.8998 -6.4550 -6.4550 -6.3717 -6.3717 -1.2546 -1.2546 -1.1531 -1.1531 -0.9142 -0.9142 -0.7305 -0.7305 -0.5364 -0.5364 -0.1714 -0.1714 0.5050 0.5050 0.7942 0.7942 1.0686 1.0686 1.1644 1.1644 1.4170 1.4170 1.6212 1.6212 1.8504 1.8504 1.9662 1.9662 2.2003 2.2003 2.2852 2.2852 2.4551 2.4551 2.5915 2.5915 4.8396 4.8396 4.9879 4.9879 5.3342 5.3342 5.6610 5.6610 5.8904 5.8904 k = 0.6064 0.0228-0.5275 ( 8207 PWs) bands (ev): -10.3330 -10.3330 -10.2081 -10.2081 -9.1422 -9.1422 -9.0870 -9.0870 -8.9866 -8.9866 -8.8942 -8.8942 -6.4634 -6.4634 -6.3651 -6.3651 -1.2554 -1.2554 -1.1514 -1.1514 -0.8972 -0.8972 -0.7332 -0.7332 -0.5543 -0.5543 -0.1642 -0.1642 0.5130 0.5130 0.7785 0.7785 1.0688 1.0688 1.1650 1.1650 1.4171 1.4171 1.6121 1.6121 1.8463 1.8463 1.9629 1.9629 2.1929 2.1929 2.2820 2.2820 2.4623 2.4623 2.6007 2.6007 4.8528 4.8528 4.9883 4.9883 5.3102 5.3102 5.6761 5.6761 5.9034 5.9034 k = 0.5958 0.0447-0.5275 ( 8205 PWs) bands (ev): -10.3416 -10.3416 -10.1994 -10.1994 -9.1462 -9.1462 -9.0849 -9.0849 -8.9881 -8.9881 -8.8889 -8.8889 -6.4715 -6.4715 -6.3592 -6.3592 -1.2571 -1.2571 -1.1491 -1.1491 -0.8805 -0.8805 -0.7356 -0.7356 -0.5712 -0.5712 -0.1582 -0.1582 0.5226 0.5226 0.7634 0.7634 1.0667 1.0667 1.1668 1.1668 1.4173 1.4173 1.6021 1.6021 1.8420 1.8420 1.9601 1.9601 2.1832 2.1832 2.2805 2.2805 2.4709 2.4709 2.6095 2.6095 4.8663 4.8663 4.9900 4.9900 5.2857 5.2857 5.6912 5.6912 5.9163 5.9163 k = 0.5851 0.0667-0.5275 ( 8193 PWs) bands (ev): -10.3494 -10.3494 -10.1916 -10.1916 -9.1499 -9.1499 -9.0825 -9.0825 -8.9896 -8.9896 -8.8840 -8.8840 -6.4791 -6.4791 -6.3541 -6.3541 -1.2593 -1.2593 -1.1466 -1.1466 -0.8640 -0.8640 -0.7375 -0.7375 -0.5871 -0.5871 -0.1534 -0.1534 0.5337 0.5337 0.7490 0.7490 1.0636 1.0636 1.1683 1.1683 1.4177 1.4177 1.5916 1.5916 1.8376 1.8376 1.9580 1.9580 2.1713 2.1713 2.2806 2.2806 2.4808 2.4808 2.6178 2.6178 4.8795 4.8795 4.9928 4.9928 5.2618 5.2618 5.7058 5.7058 5.9288 5.9288 k = 0.5745 0.0886-0.5275 ( 8186 PWs) bands (ev): -10.3564 -10.3564 -10.1848 -10.1848 -9.1532 -9.1532 -9.0800 -9.0800 -8.9911 -8.9911 -8.8795 -8.8795 -6.4861 -6.4861 -6.3497 -6.3497 -1.2617 -1.2617 -1.1445 -1.1445 -0.8480 -0.8480 -0.7387 -0.7387 -0.6022 -0.6022 -0.1498 -0.1498 0.5461 0.5461 0.7352 0.7352 1.0607 1.0607 1.1688 1.1688 1.4184 1.4184 1.5808 1.5808 1.8330 1.8330 1.9567 1.9567 2.1579 2.1579 2.2819 2.2819 2.4917 2.4917 2.6252 2.6252 4.8920 4.8920 4.9961 4.9961 5.2395 5.2395 5.7197 5.7197 5.9410 5.9410 k = 0.5639 0.1106-0.5275 ( 8186 PWs) bands (ev): -10.3625 -10.3625 -10.1789 -10.1789 -9.1561 -9.1561 -9.0774 -9.0774 -8.9923 -8.9923 -8.8755 -8.8755 -6.4924 -6.4924 -6.3459 -6.3459 -1.2640 -1.2640 -1.1428 -1.1428 -0.8325 -0.8325 -0.7393 -0.7393 -0.6165 -0.6165 -0.1474 -0.1474 0.5595 0.5595 0.7221 0.7221 1.0583 1.0583 1.1678 1.1678 1.4196 1.4196 1.5701 1.5701 1.8284 1.8284 1.9564 1.9564 2.1439 2.1439 2.2838 2.2838 2.5033 2.5033 2.6314 2.6314 4.9034 4.9034 4.9992 4.9992 5.2197 5.2197 5.7325 5.7325 5.9524 5.9524 k = 0.5532 0.1326-0.5275 ( 8182 PWs) bands (ev): -10.3677 -10.3677 -10.1740 -10.1740 -9.1586 -9.1586 -9.0751 -9.0751 -8.9934 -8.9934 -8.8721 -8.8721 -6.4980 -6.4980 -6.3427 -6.3427 -1.2660 -1.2660 -1.1417 -1.1417 -0.8174 -0.8174 -0.7395 -0.7395 -0.6299 -0.6299 -0.1460 -0.1460 0.5736 0.5736 0.7095 0.7095 1.0568 1.0568 1.1656 1.1656 1.4215 1.4215 1.5598 1.5598 1.8239 1.8239 1.9569 1.9569 2.1301 2.1301 2.2858 2.2858 2.5150 2.5150 2.6364 2.6364 4.9134 4.9134 5.0016 5.0016 5.2031 5.2031 5.7439 5.7439 5.9630 5.9630 k = 0.5426 0.1545-0.5275 ( 8192 PWs) bands (ev): -10.3720 -10.3720 -10.1700 -10.1700 -9.1606 -9.1606 -9.0729 -9.0729 -8.9943 -8.9943 -8.8693 -8.8693 -6.5026 -6.5026 -6.3402 -6.3402 -1.2677 -1.2677 -1.1411 -1.1411 -0.8030 -0.8030 -0.7398 -0.7398 -0.6422 -0.6422 -0.1453 -0.1453 0.5880 0.5880 0.6973 0.6973 1.0560 1.0560 1.1624 1.1624 1.4240 1.4240 1.5501 1.5501 1.8197 1.8197 1.9582 1.9582 2.1172 2.1172 2.2876 2.2876 2.5262 2.5262 2.6400 2.6400 4.9221 4.9221 5.0026 5.0026 5.1902 5.1902 5.7537 5.7537 5.9724 5.9724 k = 0.5319 0.1765-0.5275 ( 8192 PWs) bands (ev): -10.3754 -10.3754 -10.1668 -10.1668 -9.1622 -9.1622 -9.0711 -9.0711 -8.9951 -8.9951 -8.8671 -8.8671 -6.5063 -6.5063 -6.3383 -6.3383 -1.2690 -1.2690 -1.1409 -1.1409 -0.7893 -0.7893 -0.7407 -0.7407 -0.6532 -0.6532 -0.1451 -0.1451 0.6024 0.6024 0.6852 0.6852 1.0559 1.0559 1.1588 1.1588 1.4269 1.4269 1.5415 1.5415 1.8161 1.8161 1.9599 1.9599 2.1061 2.1061 2.2890 2.2890 2.5362 2.5362 2.6424 2.6424 4.9293 4.9293 5.0021 5.0021 5.1812 5.1812 5.7615 5.7615 5.9801 5.9801 k = 0.5213 0.1984-0.5275 ( 8186 PWs) bands (ev): -10.3778 -10.3778 -10.1646 -10.1646 -9.1633 -9.1633 -9.0698 -9.0698 -8.9956 -8.9956 -8.8656 -8.8656 -6.5090 -6.5090 -6.3369 -6.3369 -1.2699 -1.2699 -1.1409 -1.1409 -0.7766 -0.7766 -0.7429 -0.7429 -0.6619 -0.6619 -0.1452 -0.1452 0.6165 0.6165 0.6733 0.6733 1.0562 1.0562 1.1555 1.1555 1.4297 1.4297 1.5346 1.5346 1.8133 1.8133 1.9617 1.9617 2.0974 2.0974 2.2901 2.2901 2.5442 2.5442 2.6437 2.6437 4.9348 4.9348 5.0007 5.0007 5.1755 5.1755 5.7673 5.7673 5.9860 5.9860 k = 0.5106 0.2204-0.5275 ( 8186 PWs) bands (ev): -10.3793 -10.3793 -10.1633 -10.1633 -9.1640 -9.1640 -9.0690 -9.0690 -8.9959 -8.9959 -8.8646 -8.8646 -6.5107 -6.5107 -6.3361 -6.3361 -1.2704 -1.2704 -1.1409 -1.1409 -0.7656 -0.7656 -0.7470 -0.7470 -0.6677 -0.6677 -0.1454 -0.1454 0.6294 0.6294 0.6618 0.6618 1.0565 1.0565 1.1532 1.1532 1.4317 1.4317 1.5301 1.5301 1.8116 1.8116 1.9630 1.9630 2.0918 2.0918 2.2907 2.2907 2.5494 2.5494 2.6443 2.6443 4.9384 4.9384 4.9992 4.9992 5.1726 5.1726 5.7708 5.7708 5.9897 5.9897 k = 0.5000 0.2423-0.5275 ( 8178 PWs) bands (ev): -10.3798 -10.3798 -10.1628 -10.1628 -9.1642 -9.1642 -9.0687 -9.0687 -8.9960 -8.9960 -8.8643 -8.8643 -6.5112 -6.5112 -6.3358 -6.3358 -1.2706 -1.2706 -1.1410 -1.1410 -0.7593 -0.7593 -0.7509 -0.7509 -0.6698 -0.6698 -0.1454 -0.1454 0.6368 0.6368 0.6548 0.6548 1.0567 1.0567 1.1523 1.1523 1.4325 1.4325 1.5285 1.5285 1.8110 1.8110 1.9635 1.9635 2.0899 2.0899 2.2909 2.2909 2.5512 2.5512 2.6445 2.6445 4.9396 4.9396 4.9985 4.9985 5.1717 5.1717 5.7719 5.7719 5.9909 5.9909 k = 0.5000 0.2423-0.5275 ( 8178 PWs) bands (ev): -10.3798 -10.3798 -10.1628 -10.1628 -9.1642 -9.1642 -9.0687 -9.0687 -8.9960 -8.9960 -8.8643 -8.8643 -6.5112 -6.5112 -6.3358 -6.3358 -1.2706 -1.2706 -1.1410 -1.1410 -0.7593 -0.7593 -0.7509 -0.7509 -0.6698 -0.6698 -0.1454 -0.1454 0.6368 0.6368 0.6548 0.6548 1.0567 1.0567 1.1523 1.1523 1.4325 1.4325 1.5285 1.5285 1.8110 1.8110 1.9635 1.9635 2.0899 2.0899 2.2909 2.2909 2.5512 2.5512 2.6445 2.6445 4.9396 4.9396 4.9985 4.9985 5.1717 5.1717 5.7719 5.7719 5.9909 5.9909 k = 0.5154 0.2498-0.5095 ( 8192 PWs) bands (ev): -10.3797 -10.3797 -10.1631 -10.1631 -9.1641 -9.1641 -9.0684 -9.0684 -8.9957 -8.9957 -8.8644 -8.8644 -6.5130 -6.5130 -6.3343 -6.3343 -1.2720 -1.2720 -1.1402 -1.1402 -0.7637 -0.7637 -0.7471 -0.7471 -0.6695 -0.6695 -0.1439 -0.1439 0.6346 0.6346 0.6571 0.6571 1.0569 1.0569 1.1531 1.1531 1.4319 1.4319 1.5284 1.5284 1.8098 1.8098 1.9623 1.9623 2.0919 2.0919 2.2907 2.2907 2.5492 2.5492 2.6448 2.6448 4.9396 4.9396 5.0010 5.0010 5.1727 5.1727 5.7728 5.7728 5.9886 5.9886 k = 0.5307 0.2572-0.4915 ( 8190 PWs) bands (ev): -10.3796 -10.3796 -10.1641 -10.1641 -9.1636 -9.1636 -9.0677 -9.0677 -8.9949 -8.9949 -8.8648 -8.8648 -6.5181 -6.5181 -6.3301 -6.3301 -1.2760 -1.2760 -1.1380 -1.1380 -0.7713 -0.7713 -0.7412 -0.7412 -0.6686 -0.6686 -0.1393 -0.1393 0.6296 0.6296 0.6622 0.6622 1.0574 1.0574 1.1554 1.1554 1.4299 1.4299 1.5280 1.5280 1.8063 1.8063 1.9593 1.9593 2.0975 2.0975 2.2901 2.2901 2.5433 2.5433 2.6454 2.6454 4.9398 4.9398 5.0079 5.0079 5.1758 5.1758 5.7754 5.7754 5.9816 5.9816 k = 0.5461 0.2647-0.4735 ( 8191 PWs) bands (ev): -10.3794 -10.3794 -10.1655 -10.1655 -9.1629 -9.1629 -9.0665 -9.0665 -8.9936 -8.9936 -8.8655 -8.8655 -6.5260 -6.5260 -6.3236 -6.3236 -1.2821 -1.2821 -1.1349 -1.1349 -0.7800 -0.7800 -0.7353 -0.7353 -0.6672 -0.6672 -0.1318 -0.1318 0.6236 0.6236 0.6687 0.6687 1.0581 1.0581 1.1591 1.1591 1.4264 1.4264 1.5276 1.5276 1.8010 1.8010 1.9556 1.9556 2.1051 2.1051 2.2889 2.2889 2.5340 2.5340 2.6462 2.6462 4.9412 4.9412 5.0185 5.0185 5.1811 5.1811 5.7794 5.7794 5.9702 5.9702 k = 0.5615 0.2721-0.4555 ( 8189 PWs) bands (ev): -10.3793 -10.3793 -10.1675 -10.1675 -9.1618 -9.1618 -9.0649 -9.0649 -8.9918 -8.9918 -8.8663 -8.8663 -6.5360 -6.5360 -6.3155 -6.3155 -1.2900 -1.2900 -1.1312 -1.1312 -0.7893 -0.7893 -0.7296 -0.7296 -0.6653 -0.6653 -0.1217 -0.1217 0.6170 0.6170 0.6761 0.6761 1.0586 1.0586 1.1643 1.1643 1.4212 1.4212 1.5275 1.5275 1.7947 1.7947 1.9523 1.9523 2.1133 2.1133 2.2871 2.2871 2.5219 2.5219 2.6469 2.6469 4.9442 4.9442 5.0317 5.0317 5.1885 5.1885 5.7844 5.7844 5.9549 5.9549 k = 0.5769 0.2796-0.4375 ( 8186 PWs) bands (ev): -10.3792 -10.3792 -10.1698 -10.1698 -9.1603 -9.1603 -9.0627 -9.0627 -8.9896 -8.9896 -8.8675 -8.8675 -6.5476 -6.5476 -6.3064 -6.3064 -1.2990 -1.2990 -1.1275 -1.1275 -0.7993 -0.7993 -0.7242 -0.7242 -0.6628 -0.6628 -0.1091 -0.1091 0.6102 0.6102 0.6845 0.6845 1.0587 1.0587 1.1705 1.1705 1.4142 1.4142 1.5277 1.5277 1.7882 1.7882 1.9501 1.9501 2.1210 2.1210 2.2846 2.2846 2.5078 2.5078 2.6471 2.6471 4.9492 4.9492 5.0471 5.0471 5.1979 5.1979 5.7897 5.7897 5.9363 5.9363 k = 0.5922 0.2870-0.4195 ( 8192 PWs) bands (ev): -10.3794 -10.3794 -10.1723 -10.1723 -9.1586 -9.1586 -9.0602 -9.0602 -8.9870 -8.9870 -8.8688 -8.8688 -6.5603 -6.5603 -6.2969 -6.2969 -1.3089 -1.3089 -1.1239 -1.1239 -0.8099 -0.8099 -0.7191 -0.7191 -0.6598 -0.6598 -0.0945 -0.0945 0.6034 0.6034 0.6937 0.6937 1.0581 1.0581 1.1775 1.1775 1.4059 1.4059 1.5286 1.5286 1.7823 1.7823 1.9492 1.9492 2.1275 2.1275 2.2811 2.2811 2.4923 2.4923 2.6470 2.6470 4.9561 4.9561 5.0645 5.0645 5.2095 5.2095 5.7944 5.7944 5.9151 5.9151 k = 0.6076 0.2945-0.4015 ( 8191 PWs) bands (ev): -10.3799 -10.3799 -10.1749 -10.1749 -9.1564 -9.1564 -9.0572 -9.0572 -8.9841 -8.9841 -8.8704 -8.8704 -6.5735 -6.5735 -6.2873 -6.2873 -1.3193 -1.3193 -1.1208 -1.1208 -0.8211 -0.8211 -0.7147 -0.7147 -0.6560 -0.6560 -0.0782 -0.0782 0.5969 0.5969 0.7038 0.7038 1.0563 1.0563 1.1847 1.1847 1.3969 1.3969 1.5301 1.5301 1.7778 1.7778 1.9494 1.9494 2.1322 2.1322 2.2767 2.2767 2.4761 2.4761 2.6464 2.6464 4.9644 4.9644 5.0836 5.0836 5.2232 5.2232 5.7970 5.7970 5.8927 5.8927 k = 0.6230 0.3019-0.3835 ( 8189 PWs) bands (ev): -10.3809 -10.3809 -10.1773 -10.1773 -9.1539 -9.1539 -9.0538 -9.0538 -8.9810 -8.9810 -8.8721 -8.8721 -6.5872 -6.5872 -6.2780 -6.2780 -1.3299 -1.3299 -1.1182 -1.1182 -0.8327 -0.8327 -0.7112 -0.7112 -0.6513 -0.6513 -0.0605 -0.0605 0.5908 0.5908 0.7148 0.7148 1.0532 1.0532 1.1916 1.1916 1.3882 1.3882 1.5322 1.5322 1.7749 1.7749 1.9507 1.9507 2.1348 2.1348 2.2713 2.2713 2.4600 2.4600 2.6453 2.6453 4.9736 4.9736 5.1043 5.1043 5.2388 5.2388 5.7950 5.7950 5.8714 5.8714 k = 0.6383 0.3094-0.3655 ( 8176 PWs) bands (ev): -10.3825 -10.3825 -10.1794 -10.1794 -9.1509 -9.1509 -9.0501 -9.0501 -8.9776 -8.9776 -8.8740 -8.8740 -6.6009 -6.6009 -6.2692 -6.2692 -1.3406 -1.3406 -1.1161 -1.1161 -0.8449 -0.8449 -0.7090 -0.7090 -0.6456 -0.6456 -0.0419 -0.0419 0.5855 0.5855 0.7266 0.7266 1.0482 1.0482 1.1977 1.1977 1.3811 1.3811 1.5348 1.5348 1.7739 1.7739 1.9527 1.9527 2.1353 2.1353 2.2650 2.2650 2.4450 2.4450 2.6440 2.6440 4.9831 4.9831 5.1264 5.1264 5.2565 5.2565 5.7845 5.7845 5.8549 5.8549 k = 0.6383 0.3094-0.3655 ( 8176 PWs) bands (ev): -10.3825 -10.3825 -10.1794 -10.1794 -9.1509 -9.1509 -9.0501 -9.0501 -8.9776 -8.9776 -8.8740 -8.8740 -6.6009 -6.6009 -6.2692 -6.2692 -1.3406 -1.3406 -1.1161 -1.1161 -0.8449 -0.8449 -0.7090 -0.7090 -0.6456 -0.6456 -0.0419 -0.0419 0.5855 0.5855 0.7266 0.7266 1.0482 1.0482 1.1977 1.1977 1.3811 1.3811 1.5348 1.5348 1.7739 1.7739 1.9527 1.9527 2.1353 2.1353 2.2650 2.2650 2.4450 2.4450 2.6440 2.6440 4.9831 4.9831 5.1264 5.1264 5.2565 5.2565 5.7845 5.7845 5.8549 5.8549 k = 0.6318 0.3062-0.3404 ( 8176 PWs) bands (ev): -10.3906 -10.3906 -10.1762 -10.1762 -9.1482 -9.1482 -9.0472 -9.0472 -8.9712 -8.9712 -8.8734 -8.8734 -6.6220 -6.6220 -6.2564 -6.2564 -1.3403 -1.3403 -1.1213 -1.1213 -0.8577 -0.8577 -0.6985 -0.6985 -0.6543 -0.6543 -0.0173 -0.0173 0.5817 0.5817 0.7263 0.7263 1.0453 1.0453 1.1998 1.1998 1.3713 1.3713 1.5419 1.5419 1.7699 1.7699 1.9534 1.9534 2.1309 2.1309 2.2542 2.2542 2.4288 2.4288 2.6537 2.6537 4.9853 4.9853 5.1552 5.1552 5.2685 5.2685 5.7822 5.7822 5.8494 5.8494 k = 0.6252 0.3030-0.3153 ( 8186 PWs) bands (ev): -10.4003 -10.4003 -10.1724 -10.1724 -9.1437 -9.1437 -9.0438 -9.0438 -8.9644 -8.9644 -8.8727 -8.8727 -6.6445 -6.6445 -6.2442 -6.2442 -1.3395 -1.3395 -1.1274 -1.1274 -0.8739 -0.8739 -0.6933 -0.6933 -0.6572 -0.6572 0.0095 0.0095 0.5785 0.5785 0.7269 0.7269 1.0418 1.0418 1.1990 1.1990 1.3643 1.3643 1.5491 1.5491 1.7662 1.7662 1.9569 1.9569 2.1239 2.1239 2.2430 2.2430 2.4140 2.4140 2.6636 2.6636 4.9881 4.9881 5.1862 5.1862 5.2828 5.2828 5.7746 5.7746 5.8456 5.8456 k = 0.6186 0.2998-0.2902 ( 8183 PWs) bands (ev): -10.4112 -10.4112 -10.1684 -10.1684 -9.1377 -9.1377 -9.0399 -9.0399 -8.9573 -8.9573 -8.8720 -8.8720 -6.6681 -6.6681 -6.2328 -6.2328 -1.3385 -1.3385 -1.1343 -1.1343 -0.8918 -0.8918 -0.6959 -0.6959 -0.6527 -0.6527 0.0379 0.0379 0.5762 0.5762 0.7284 0.7284 1.0371 1.0371 1.1966 1.1966 1.3598 1.3598 1.5543 1.5543 1.7638 1.7638 1.9626 1.9626 2.1154 2.1154 2.2309 2.2309 2.4020 2.4020 2.6734 2.6734 4.9913 4.9913 5.2184 5.2184 5.2995 5.2995 5.7621 5.7621 5.8439 5.8439 k = 0.6120 0.2966-0.2650 ( 8184 PWs) bands (ev): -10.4228 -10.4228 -10.1644 -10.1644 -9.1301 -9.1301 -9.0355 -9.0355 -8.9501 -8.9501 -8.8713 -8.8713 -6.6924 -6.6924 -6.2222 -6.2222 -1.3372 -1.3372 -1.1416 -1.1416 -0.9105 -0.9105 -0.7031 -0.7031 -0.6449 -0.6449 0.0670 0.0670 0.5750 0.5750 0.7308 0.7308 1.0307 1.0307 1.1941 1.1941 1.3573 1.3573 1.5556 1.5556 1.7640 1.7640 1.9680 1.9680 2.1080 2.1080 2.2174 2.2174 2.3942 2.3942 2.6831 2.6831 4.9946 4.9946 5.2503 5.2503 5.3188 5.3188 5.7457 5.7457 5.8439 5.8439 k = 0.6054 0.2934-0.2399 ( 8186 PWs) bands (ev): -10.4349 -10.4349 -10.1607 -10.1607 -9.1211 -9.1211 -9.0308 -9.0308 -8.9427 -8.9427 -8.8707 -8.8707 -6.7172 -6.7172 -6.2126 -6.2126 -1.3358 -1.3358 -1.1492 -1.1492 -0.9292 -0.9292 -0.7121 -0.7121 -0.6369 -0.6369 0.0961 0.0961 0.5751 0.5751 0.7343 0.7343 1.0225 1.0225 1.1925 1.1925 1.3559 1.3559 1.5517 1.5517 1.7674 1.7674 1.9697 1.9697 2.1053 2.1053 2.2025 2.2025 2.3915 2.3915 2.6928 2.6928 4.9979 4.9979 5.2807 5.2807 5.3409 5.3409 5.7269 5.7269 5.8447 5.8447 k = 0.5988 0.2902-0.2148 ( 8184 PWs) bands (ev): -10.4470 -10.4470 -10.1575 -10.1575 -9.1107 -9.1107 -9.0256 -9.0256 -8.9355 -8.9355 -8.8703 -8.8703 -6.7422 -6.7422 -6.2038 -6.2038 -1.3344 -1.3344 -1.1568 -1.1568 -0.9473 -0.9473 -0.7217 -0.7217 -0.6301 -0.6301 0.1244 0.1244 0.5765 0.5765 0.7391 0.7391 1.0130 1.0130 1.1920 1.1920 1.3548 1.3548 1.5433 1.5433 1.7731 1.7731 1.9645 1.9645 2.1096 2.1096 2.1878 2.1878 2.3939 2.3939 2.7025 2.7025 5.0009 5.0009 5.3086 5.3086 5.3654 5.3654 5.7071 5.7071 5.8457 5.8457 k = 0.5922 0.2870-0.1897 ( 8180 PWs) bands (ev): -10.4591 -10.4591 -10.1547 -10.1547 -9.0992 -9.0992 -9.0201 -9.0201 -8.9283 -8.9283 -8.8699 -8.8699 -6.7673 -6.7673 -6.1960 -6.1960 -1.3331 -1.3331 -1.1642 -1.1642 -0.9644 -0.9644 -0.7318 -0.7318 -0.6249 -0.6249 0.1513 0.1513 0.5790 0.5790 0.7454 0.7454 1.0031 1.0031 1.1921 1.1921 1.3531 1.3531 1.5325 1.5325 1.7784 1.7784 1.9531 1.9531 2.1158 2.1158 2.1797 2.1797 2.4011 2.4011 2.7121 2.7121 5.0033 5.0033 5.3337 5.3337 5.3912 5.3912 5.6874 5.6874 5.8465 5.8465 k = 0.5856 0.2838-0.1646 ( 8188 PWs) bands (ev): -10.4709 -10.4709 -10.1525 -10.1525 -9.0868 -9.0868 -9.0143 -9.0143 -8.9215 -8.9215 -8.8698 -8.8698 -6.7921 -6.7921 -6.1891 -6.1891 -1.3321 -1.3321 -1.1711 -1.1711 -0.9800 -0.9800 -0.7422 -0.7422 -0.6213 -0.6213 0.1765 0.1765 0.5826 0.5826 0.7532 0.7532 0.9938 0.9938 1.1917 1.1917 1.3496 1.3496 1.5224 1.5224 1.7798 1.7798 1.9383 1.9383 2.1128 2.1128 2.1892 2.1892 2.4121 2.4121 2.7217 2.7217 5.0045 5.0045 5.3567 5.3567 5.4166 5.4166 5.6690 5.6690 5.8468 5.8468 k = 0.5791 0.2807-0.1395 ( 8191 PWs) bands (ev): -10.4823 -10.4823 -10.1509 -10.1509 -9.0736 -9.0736 -9.0083 -9.0083 -8.9149 -8.9149 -8.8699 -8.8699 -6.8164 -6.8164 -6.1830 -6.1830 -1.3315 -1.3315 -1.1776 -1.1776 -0.9937 -0.9937 -0.7529 -0.7529 -0.6193 -0.6193 0.1994 0.1994 0.5873 0.5873 0.7625 0.7625 0.9860 0.9860 1.1900 1.1900 1.3435 1.3435 1.5156 1.5156 1.7742 1.7742 1.9223 1.9223 2.1023 2.1023 2.2149 2.2149 2.4262 2.4262 2.7312 2.7312 5.0043 5.0043 5.3779 5.3779 5.4395 5.4395 5.6529 5.6529 5.8464 5.8464 k = 0.5725 0.2775-0.1143 ( 8194 PWs) bands (ev): -10.4931 -10.4931 -10.1497 -10.1497 -9.0599 -9.0599 -9.0021 -9.0021 -8.9089 -8.9089 -8.8702 -8.8702 -6.8399 -6.8399 -6.1778 -6.1778 -1.3315 -1.3315 -1.1834 -1.1834 -1.0052 -1.0052 -0.7639 -0.7639 -0.6189 -0.6189 0.2197 0.2197 0.5931 0.5931 0.7733 0.7733 0.9805 0.9805 1.1857 1.1857 1.3347 1.3347 1.5133 1.5133 1.7607 1.7607 1.9047 1.9047 2.0935 2.0935 2.2487 2.2487 2.4426 2.4426 2.7405 2.7405 5.0021 5.0021 5.3975 5.3975 5.4584 5.4584 5.6404 5.6404 5.8453 5.8453 k = 0.5659 0.2743-0.0892 ( 8197 PWs) bands (ev): -10.5033 -10.5033 -10.1490 -10.1490 -9.0459 -9.0459 -8.9958 -8.9958 -8.9033 -8.9033 -8.8708 -8.8708 -6.8625 -6.8625 -6.1733 -6.1733 -1.3322 -1.3322 -1.1887 -1.1887 -1.0142 -1.0142 -0.7753 -0.7753 -0.6198 -0.6198 0.2372 0.2372 0.6001 0.6001 0.7852 0.7852 0.9781 0.9781 1.1779 1.1779 1.3250 1.3250 1.5150 1.5150 1.7406 1.7406 1.8835 1.8835 2.0907 2.0907 2.2867 2.2867 2.4607 2.4607 2.7494 2.7494 4.9975 4.9975 5.4155 5.4155 5.4720 5.4720 5.6326 5.6326 5.8434 5.8434 k = 0.5593 0.2711-0.0641 ( 8194 PWs) bands (ev): -10.5128 -10.5128 -10.1486 -10.1486 -9.0319 -9.0319 -8.9895 -8.9895 -8.8984 -8.8984 -8.8716 -8.8716 -6.8839 -6.8839 -6.1694 -6.1694 -1.3336 -1.3336 -1.1933 -1.1933 -1.0204 -1.0204 -0.7871 -0.7871 -0.6218 -0.6218 0.2517 0.2517 0.6082 0.6082 0.7978 0.7978 0.9793 0.9793 1.1660 1.1660 1.3162 1.3162 1.5190 1.5190 1.7164 1.7164 1.8580 1.8580 2.0941 2.0941 2.3270 2.3270 2.4800 2.4800 2.7576 2.7576 4.9903 4.9903 5.4315 5.4315 5.4803 5.4803 5.6298 5.6298 5.8408 5.8408 k = 0.5527 0.2679-0.0390 ( 8194 PWs) bands (ev): -10.5214 -10.5214 -10.1485 -10.1485 -9.0182 -9.0182 -8.9832 -8.9832 -8.8941 -8.8941 -8.8727 -8.8727 -6.9038 -6.9038 -6.1662 -6.1662 -1.3356 -1.3356 -1.1972 -1.1972 -1.0239 -1.0239 -0.7993 -0.7993 -0.6246 -0.6246 0.2632 0.2632 0.6174 0.6174 0.8107 0.8107 0.9844 0.9844 1.1501 1.1501 1.3099 1.3099 1.5228 1.5228 1.6906 1.6906 1.8294 1.8294 2.1020 2.1020 2.3681 2.3681 2.5001 2.5001 2.7650 2.7650 4.9803 4.9803 5.4448 5.4448 5.4849 5.4849 5.6311 5.6311 5.8376 5.8376 k = 0.5461 0.2647-0.0139 ( 8200 PWs) bands (ev): -10.5291 -10.5291 -10.1486 -10.1486 -9.0051 -9.0051 -8.9772 -8.9772 -8.8906 -8.8906 -8.8740 -8.8740 -6.9219 -6.9219 -6.1635 -6.1635 -1.3383 -1.3383 -1.2005 -1.2005 -1.0248 -1.0248 -0.8117 -0.8117 -0.6278 -0.6278 0.2719 0.2719 0.6272 0.6272 0.8238 0.8238 0.9933 0.9933 1.1316 1.1316 1.3065 1.3065 1.5239 1.5239 1.6654 1.6654 1.8000 1.8000 2.1123 2.1123 2.4088 2.4088 2.5207 2.5207 2.7713 2.7713 4.9677 4.9677 5.4538 5.4538 5.4891 5.4891 5.6349 5.6349 5.8341 5.8341 k = 0.5395 0.2615 0.0112 ( 8194 PWs) bands (ev): -10.5359 -10.5359 -10.1488 -10.1488 -8.9927 -8.9927 -8.9714 -8.9714 -8.8878 -8.8878 -8.8755 -8.8755 -6.9382 -6.9382 -6.1614 -6.1614 -1.3413 -1.3413 -1.2031 -1.2031 -1.0234 -1.0234 -0.8243 -0.8243 -0.6313 -0.6313 0.2781 0.2781 0.6373 0.6373 0.8370 0.8370 1.0043 1.0043 1.1130 1.1130 1.3053 1.3053 1.5200 1.5200 1.6423 1.6423 1.7724 1.7724 2.1233 2.1233 2.4476 2.4476 2.5411 2.5411 2.7763 2.7763 4.9531 4.9531 5.4575 5.4575 5.4960 5.4960 5.6393 5.6393 5.8304 5.8304 k = 0.5329 0.2583 0.0364 ( 8196 PWs) bands (ev): -10.5418 -10.5418 -10.1492 -10.1492 -8.9815 -8.9815 -8.9660 -8.9660 -8.8857 -8.8857 -8.8771 -8.8771 -6.9524 -6.9524 -6.1596 -6.1596 -1.3446 -1.3446 -1.2051 -1.2051 -1.0200 -1.0200 -0.8367 -0.8367 -0.6346 -0.6346 0.2822 0.2822 0.6469 0.6469 0.8506 0.8506 1.0136 1.0136 1.0987 1.0987 1.3055 1.3055 1.5102 1.5102 1.6220 1.6220 1.7490 1.7490 2.1337 2.1337 2.4832 2.4832 2.5608 2.5608 2.7800 2.7800 4.9372 4.9372 5.4573 5.4573 5.5052 5.5052 5.6430 5.6430 5.8265 5.8265 k = 0.5264 0.2551 0.0615 ( 8197 PWs) bands (ev): -10.5466 -10.5466 -10.1495 -10.1495 -8.9717 -8.9717 -8.9611 -8.9611 -8.8845 -8.8845 -8.8787 -8.8787 -6.9642 -6.9642 -6.1583 -6.1583 -1.3477 -1.3477 -1.2066 -1.2066 -1.0154 -1.0154 -0.8487 -0.8487 -0.6377 -0.6377 0.2847 0.2847 0.6556 0.6556 0.8649 0.8649 1.0139 1.0139 1.0960 1.0960 1.3058 1.3058 1.4957 1.4957 1.6038 1.6038 1.7317 1.7317 2.1428 2.1428 2.5143 2.5143 2.5792 2.5792 2.7823 2.7823 4.9215 4.9215 5.4558 5.4558 5.5149 5.5149 5.6455 5.6455 5.8221 5.8221 k = 0.5198 0.2519 0.0866 ( 8195 PWs) bands (ev): -10.5504 -10.5504 -10.1498 -10.1498 -8.9637 -8.9637 -8.9569 -8.9569 -8.8839 -8.8839 -8.8800 -8.8800 -6.9736 -6.9736 -6.1573 -6.1573 -1.3504 -1.3504 -1.2076 -1.2076 -1.0101 -1.0101 -0.8594 -0.8594 -0.6402 -0.6402 0.2862 0.2862 0.6628 0.6628 0.8801 0.8801 1.0026 1.0026 1.1062 1.1062 1.3052 1.3052 1.4797 1.4797 1.5872 1.5872 1.7206 1.7206 2.1503 2.1503 2.5397 2.5397 2.5952 2.5952 2.7836 2.7836 4.9072 4.9072 5.4541 5.4541 5.5241 5.5241 5.6465 5.6465 5.8171 5.8171 k = 0.5132 0.2487 0.1117 ( 8189 PWs) bands (ev): -10.5531 -10.5531 -10.1501 -10.1501 -8.9580 -8.9580 -8.9533 -8.9533 -8.8840 -8.8840 -8.8809 -8.8809 -6.9804 -6.9804 -6.1566 -6.1566 -1.3525 -1.3525 -1.2082 -1.2082 -1.0051 -1.0051 -0.8683 -0.8683 -0.6421 -0.6421 0.2869 0.2869 0.6681 0.6681 0.8958 0.8958 0.9856 0.9856 1.1218 1.1218 1.3028 1.3028 1.4659 1.4659 1.5732 1.5732 1.7144 1.7144 2.1557 2.1557 2.5584 2.5584 2.6079 2.6079 2.7841 2.7841 4.8958 4.8958 5.4527 5.4527 5.5317 5.5317 5.6464 5.6464 5.8124 5.8124 k = 0.5066 0.2455 0.1368 ( 8179 PWs) bands (ev): -10.5547 -10.5547 -10.1503 -10.1503 -8.9547 -8.9547 -8.9507 -8.9507 -8.8843 -8.8843 -8.8813 -8.8813 -6.9845 -6.9845 -6.1562 -6.1562 -1.3539 -1.3539 -1.2086 -1.2086 -1.0015 -1.0015 -0.8742 -0.8742 -0.6433 -0.6433 0.2872 0.2872 0.6713 0.6713 0.9107 0.9107 0.9690 0.9690 1.1351 1.1351 1.2995 1.2995 1.4569 1.4569 1.5637 1.5637 1.7114 1.7114 2.1590 2.1590 2.5698 2.5698 2.6161 2.6161 2.7842 2.7842 4.8884 4.8884 5.4519 5.4519 5.5367 5.5367 5.6459 5.6459 5.8091 5.8091 k = 0.5000 0.2423 0.1620 ( 8180 PWs) bands (ev): -10.5553 -10.5553 -10.1503 -10.1503 -8.9537 -8.9537 -8.9497 -8.9497 -8.8844 -8.8844 -8.8814 -8.8814 -6.9859 -6.9859 -6.1560 -6.1560 -1.3543 -1.3543 -1.2087 -1.2087 -1.0002 -1.0002 -0.8763 -0.8763 -0.6437 -0.6437 0.2872 0.2872 0.6724 0.6724 0.9185 0.9185 0.9605 0.9605 1.1403 1.1403 1.2979 1.2979 1.4539 1.4539 1.5602 1.5602 1.7106 1.7106 2.1601 2.1601 2.5737 2.5737 2.6189 2.6189 2.7842 2.7842 4.8859 4.8859 5.4516 5.4516 5.5385 5.5385 5.6457 5.6457 5.8079 5.8079 k = 0.5000-0.3946-0.2637 ( 8204 PWs) bands (ev): -10.3648 -10.3648 -10.2174 -10.2174 -9.0505 -9.0505 -9.0451 -9.0451 -8.9816 -8.9816 -8.9421 -8.9421 -6.5967 -6.5967 -6.2993 -6.2993 -1.4833 -1.4833 -1.0866 -1.0866 -0.9526 -0.9526 -0.7759 -0.7759 -0.4168 -0.4168 -0.0193 -0.0193 0.5321 0.5321 0.8132 0.8132 1.0237 1.0237 1.3406 1.3406 1.4585 1.4585 1.4968 1.4968 1.9481 1.9481 1.9812 1.9812 2.1315 2.1315 2.3103 2.3103 2.4122 2.4122 2.5223 2.5223 5.0549 5.0549 5.0689 5.0689 5.3085 5.3085 5.5239 5.5239 5.8612 5.8612 k = 0.5173-0.3795-0.2536 ( 8198 PWs) bands (ev): -10.3648 -10.3648 -10.2172 -10.2172 -9.0555 -9.0555 -9.0405 -9.0405 -8.9827 -8.9827 -8.9409 -8.9409 -6.5967 -6.5967 -6.2990 -6.2990 -1.4826 -1.4826 -1.0862 -1.0862 -0.9527 -0.9527 -0.7753 -0.7753 -0.4185 -0.4185 -0.0191 -0.0191 0.5330 0.5330 0.8127 0.8127 1.0236 1.0236 1.3401 1.3401 1.4530 1.4530 1.5017 1.5017 1.9444 1.9444 1.9834 1.9834 2.1310 2.1310 2.3104 2.3104 2.4117 2.4117 2.5230 2.5230 5.0551 5.0551 5.0713 5.0713 5.3084 5.3084 5.5237 5.5237 5.8565 5.8565 k = 0.5346-0.3643-0.2435 ( 8204 PWs) bands (ev): -10.3649 -10.3649 -10.2167 -10.2167 -9.0628 -9.0628 -9.0343 -9.0343 -8.9857 -8.9857 -8.9378 -8.9378 -6.5967 -6.5967 -6.2984 -6.2984 -1.4804 -1.4804 -1.0850 -1.0850 -0.9529 -0.9529 -0.7735 -0.7735 -0.4235 -0.4235 -0.0186 -0.0186 0.5356 0.5356 0.8112 0.8112 1.0234 1.0234 1.3387 1.3387 1.4415 1.4415 1.5116 1.5116 1.9355 1.9355 1.9880 1.9880 2.1295 2.1295 2.3106 2.3106 2.4105 2.4105 2.5249 2.5249 5.0563 5.0563 5.0778 5.0778 5.3081 5.3081 5.5232 5.5232 5.8496 5.8496 k = 0.5519-0.3492-0.2334 ( 8195 PWs) bands (ev): -10.3650 -10.3650 -10.2158 -10.2158 -9.0704 -9.0704 -9.0284 -9.0284 -8.9897 -8.9897 -8.9333 -8.9333 -6.5967 -6.5967 -6.2973 -6.2973 -1.4768 -1.4768 -1.0833 -1.0833 -0.9529 -0.9529 -0.7707 -0.7707 -0.4316 -0.4316 -0.0180 -0.0180 0.5398 0.5398 0.8089 0.8089 1.0230 1.0230 1.3358 1.3358 1.4290 1.4290 1.5219 1.5219 1.9239 1.9239 1.9923 1.9923 2.1275 2.1275 2.3107 2.3107 2.4087 2.4087 2.5280 2.5280 5.0586 5.0586 5.0872 5.0872 5.3078 5.3078 5.5228 5.5228 5.8434 5.8434 k = 0.5692-0.3341-0.2232 ( 8191 PWs) bands (ev): -10.3652 -10.3652 -10.2147 -10.2147 -9.0783 -9.0783 -9.0232 -9.0232 -8.9940 -8.9940 -8.9282 -8.9282 -6.5967 -6.5967 -6.2959 -6.2959 -1.4718 -1.4718 -1.0813 -1.0813 -0.9523 -0.9523 -0.7670 -0.7670 -0.4423 -0.4423 -0.0174 -0.0174 0.5452 0.5452 0.8060 0.8060 1.0224 1.0224 1.3306 1.3306 1.4179 1.4179 1.5307 1.5307 1.9109 1.9109 1.9952 1.9952 2.1256 2.1256 2.3105 2.3105 2.4069 2.4069 2.5322 2.5322 5.0617 5.0617 5.0982 5.0982 5.3076 5.3076 5.5234 5.5234 5.8385 5.8385 k = 0.5865-0.3189-0.2131 ( 8185 PWs) bands (ev): -10.3655 -10.3655 -10.2132 -10.2132 -9.0862 -9.0862 -9.0192 -9.0192 -8.9978 -8.9978 -8.9228 -8.9228 -6.5966 -6.5966 -6.2940 -6.2940 -1.4654 -1.4654 -1.0794 -1.0794 -0.9506 -0.9506 -0.7627 -0.7627 -0.4554 -0.4554 -0.0170 -0.0170 0.5514 0.5514 0.8029 0.8029 1.0216 1.0216 1.3226 1.3226 1.4095 1.4095 1.5375 1.5375 1.8970 1.8970 1.9962 1.9962 2.1243 2.1243 2.3096 2.3096 2.4056 2.4056 2.5375 2.5375 5.0647 5.0647 5.1097 5.1097 5.3078 5.3078 5.5257 5.5257 5.8351 5.8351 k = 0.6038-0.3038-0.2030 ( 8184 PWs) bands (ev): -10.3658 -10.3658 -10.2113 -10.2113 -9.0941 -9.0941 -9.0173 -9.0173 -8.9998 -8.9998 -8.9173 -8.9173 -6.5966 -6.5966 -6.2919 -6.2919 -1.4578 -1.4578 -1.0782 -1.0782 -0.9473 -0.9473 -0.7580 -0.7580 -0.4703 -0.4703 -0.0170 -0.0170 0.5578 0.5578 0.7997 0.7997 1.0206 1.0206 1.3116 1.3116 1.4041 1.4041 1.5418 1.5418 1.8826 1.8826 1.9953 1.9953 2.1238 2.1238 2.3078 2.3078 2.4054 2.4054 2.5438 2.5438 5.0668 5.0668 5.1205 5.1205 5.3085 5.3085 5.5310 5.5310 5.8336 5.8336 k = 0.6211-0.2886-0.1929 ( 8185 PWs) bands (ev): -10.3663 -10.3663 -10.2092 -10.2092 -9.1019 -9.1019 -9.0185 -9.0185 -8.9992 -8.9992 -8.9118 -8.9118 -6.5967 -6.5967 -6.2896 -6.2896 -1.4490 -1.4490 -1.0780 -1.0780 -0.9419 -0.9419 -0.7531 -0.7531 -0.4866 -0.4866 -0.0175 -0.0175 0.5639 0.5639 0.7967 0.7967 1.0195 1.0195 1.2985 1.2985 1.4011 1.4011 1.5436 1.5436 1.8681 1.8681 1.9927 1.9927 2.1243 2.1243 2.3047 2.3047 2.4066 2.4066 2.5510 2.5510 5.0670 5.0670 5.1293 5.1293 5.3096 5.3096 5.5402 5.5402 5.8341 5.8341 k = 0.6383-0.2735-0.1828 ( 8182 PWs) bands (ev): -10.3670 -10.3670 -10.2069 -10.2069 -9.1095 -9.1095 -9.0217 -9.0217 -8.9967 -8.9967 -8.9065 -8.9065 -6.5968 -6.5968 -6.2871 -6.2871 -1.4391 -1.4391 -1.0791 -1.0791 -0.9344 -0.9344 -0.7482 -0.7482 -0.5039 -0.5039 -0.0186 -0.0186 0.5694 0.5694 0.7938 0.7938 1.0187 1.0187 1.2840 1.2840 1.3997 1.3997 1.5433 1.5433 1.8539 1.8539 1.9889 1.9889 2.1255 2.1255 2.3004 2.3004 2.4095 2.4095 2.5591 2.5591 5.0646 5.0646 5.1357 5.1357 5.3106 5.3106 5.5544 5.5544 5.8364 5.8364 k = 0.6556-0.2583-0.1726 ( 8183 PWs) bands (ev): -10.3678 -10.3678 -10.2042 -10.2042 -9.1168 -9.1168 -9.0257 -9.0257 -8.9936 -8.9936 -8.9014 -8.9014 -6.5969 -6.5969 -6.2844 -6.2844 -1.4283 -1.4283 -1.0813 -1.0813 -0.9247 -0.9247 -0.7435 -0.7435 -0.5219 -0.5219 -0.0204 -0.0204 0.5737 0.5737 0.7906 0.7906 1.0185 1.0185 1.2693 1.2693 1.3989 1.3989 1.5413 1.5413 1.8400 1.8400 1.9843 1.9843 2.1274 2.1274 2.2951 2.2951 2.4137 2.4137 2.5681 2.5681 5.0593 5.0593 5.1395 5.1395 5.3107 5.3107 5.5738 5.5738 5.8399 5.8399 k = 0.6729-0.2432-0.1625 ( 8189 PWs) bands (ev): -10.3689 -10.3689 -10.2013 -10.2013 -9.1237 -9.1237 -9.0299 -9.0299 -8.9905 -8.9905 -8.8966 -8.8966 -6.5971 -6.5971 -6.2817 -6.2817 -1.4167 -1.4167 -1.0847 -1.0847 -0.9133 -0.9133 -0.7390 -0.7390 -0.5403 -0.5403 -0.0227 -0.0227 0.5770 0.5770 0.7868 0.7868 1.0193 1.0193 1.2548 1.2548 1.3980 1.3980 1.5384 1.5384 1.8268 1.8268 1.9793 1.9793 2.1296 2.1296 2.2892 2.2892 2.4188 2.4188 2.5780 2.5780 5.0512 5.0512 5.1410 5.1410 5.3090 5.3090 5.5986 5.5986 5.8438 5.8438 k = 0.6902-0.2280-0.1524 ( 8191 PWs) bands (ev): -10.3703 -10.3703 -10.1982 -10.1982 -9.1300 -9.1300 -9.0340 -9.0340 -8.9875 -8.9875 -8.8921 -8.8921 -6.5975 -6.5975 -6.2791 -6.2791 -1.4045 -1.4045 -1.0889 -1.0889 -0.9006 -0.9006 -0.7347 -0.7347 -0.5588 -0.5588 -0.0255 -0.0255 0.5791 0.5791 0.7816 0.7816 1.0214 1.0214 1.2413 1.2413 1.3965 1.3965 1.5355 1.5355 1.8145 1.8145 1.9742 1.9742 2.1320 2.1320 2.2832 2.2832 2.4242 2.4242 2.5887 2.5887 5.0409 5.0409 5.1407 5.1407 5.3050 5.3050 5.6278 5.6278 5.8471 5.8471 k = 0.7075-0.2129-0.1423 ( 8186 PWs) bands (ev): -10.3720 -10.3720 -10.1948 -10.1948 -9.1358 -9.1358 -9.0378 -9.0378 -8.9849 -8.9849 -8.8878 -8.8878 -6.5979 -6.5979 -6.2766 -6.2766 -1.3918 -1.3918 -1.0938 -1.0938 -0.8873 -0.8873 -0.7305 -0.7305 -0.5771 -0.5771 -0.0287 -0.0287 0.5805 0.5805 0.7745 0.7745 1.0253 1.0253 1.2290 1.2290 1.3941 1.3941 1.5332 1.5332 1.8032 1.8032 1.9693 1.9693 2.1341 2.1341 2.2776 2.2776 2.4295 2.4295 2.5999 2.5999 5.0291 5.0291 5.1391 5.1391 5.2987 5.2987 5.6604 5.6604 5.8491 5.8491 k = 0.7248-0.1977-0.1321 ( 8183 PWs) bands (ev): -10.3740 -10.3740 -10.1912 -10.1912 -9.1408 -9.1408 -9.0414 -9.0414 -8.9826 -8.9826 -8.8839 -8.8839 -6.5984 -6.5984 -6.2742 -6.2742 -1.3788 -1.3788 -1.0991 -1.0991 -0.8742 -0.8742 -0.7262 -0.7262 -0.5952 -0.5952 -0.0320 -0.0320 0.5814 0.5814 0.7651 0.7651 1.0305 1.0305 1.2181 1.2181 1.3910 1.3910 1.5320 1.5320 1.7932 1.7932 1.9646 1.9646 2.1357 2.1357 2.2728 2.2728 2.4343 2.4343 2.6115 2.6115 5.0167 5.0167 5.1365 5.1365 5.2902 5.2902 5.6948 5.6948 5.8496 5.8496 k = 0.7421-0.1826-0.1220 ( 8179 PWs) bands (ev): -10.3764 -10.3764 -10.1874 -10.1874 -9.1451 -9.1451 -9.0446 -9.0446 -8.9806 -8.9806 -8.8803 -8.8803 -6.5991 -6.5991 -6.2722 -6.2722 -1.3659 -1.3659 -1.1046 -1.1046 -0.8621 -0.8621 -0.7214 -0.7214 -0.6127 -0.6127 -0.0355 -0.0355 0.5823 0.5823 0.7537 0.7537 1.0367 1.0367 1.2091 1.2091 1.3874 1.3874 1.5320 1.5320 1.7848 1.7848 1.9602 1.9602 2.1366 2.1366 2.2690 2.2690 2.4385 2.4385 2.6229 2.6229 5.0045 5.0045 5.1333 5.1333 5.2800 5.2800 5.7291 5.7291 5.8493 5.8493 k = 0.7594-0.1675-0.1119 ( 8183 PWs) bands (ev): -10.3792 -10.3792 -10.1835 -10.1835 -9.1485 -9.1485 -9.0475 -9.0475 -8.9789 -8.9789 -8.8770 -8.8770 -6.5999 -6.5999 -6.2705 -6.2705 -1.3531 -1.3531 -1.1103 -1.1103 -0.8520 -0.8520 -0.7158 -0.7158 -0.6297 -0.6297 -0.0388 -0.0388 0.5835 0.5835 0.7406 0.7406 1.0429 1.0429 1.2022 1.2022 1.3839 1.3839 1.5330 1.5330 1.7783 1.7783 1.9562 1.9562 2.1365 2.1365 2.2665 2.2665 2.4420 2.4420 2.6339 2.6339 4.9931 4.9931 5.1298 5.1298 5.2686 5.2686 5.7607 5.7607 5.8497 5.8497 k = 0.7767-0.1523-0.1018 ( 8176 PWs) bands (ev): -10.3825 -10.3825 -10.1794 -10.1794 -9.1509 -9.1509 -9.0501 -9.0501 -8.9776 -8.9776 -8.8740 -8.8740 -6.6009 -6.6009 -6.2692 -6.2692 -1.3406 -1.3406 -1.1161 -1.1161 -0.8449 -0.8449 -0.7090 -0.7090 -0.6456 -0.6456 -0.0419 -0.0419 0.5855 0.5855 0.7266 0.7266 1.0482 1.0482 1.1977 1.1977 1.3811 1.3811 1.5348 1.5348 1.7739 1.7739 1.9527 1.9527 2.1353 2.1353 2.2650 2.2650 2.4450 2.4450 2.6440 2.6440 4.9831 4.9831 5.1264 5.1264 5.2565 5.2565 5.7845 5.7845 5.8549 5.8549 Writing output data file AsI3.save init_run : 0.52s CPU 1.22s WALL ( 1 calls) electrons : 358.66s CPU 378.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 358.66s CPU 378.47s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.07s WALL ( 195 calls) cegterg : 337.62s CPU 356.13s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 227.36s CPU 249.26s WALL ( 6777 calls) s_psi : 20.75s CPU 20.82s WALL ( 6777 calls) g_psi : 0.70s CPU 0.75s WALL ( 6173 calls) cdiaghg : 64.33s CPU 62.36s WALL ( 6368 calls) cegterg:over : 16.63s CPU 15.08s WALL ( 6173 calls) cegterg:upda : 6.10s CPU 8.01s WALL ( 6173 calls) cegterg:last : 5.37s CPU 5.83s WALL ( 1189 calls) Called by h_psi: h_psi:vloc : 200.91s CPU 221.94s WALL ( 6777 calls) h_psi:vnl : 26.30s CPU 26.96s WALL ( 6777 calls) add_vuspsi : 13.21s CPU 14.54s WALL ( 6777 calls) General routines calbec : 13.08s CPU 12.40s WALL ( 6777 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 193.07s CPU 211.67s WALL ( 827024 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.18s WALL ( 390 calls) Parallel routines fft_scatter : 103.87s CPU 104.48s WALL ( 827047 calls) PWSCF : 6m19.81s CPU 6m56.49s WALL This run was terminated on: 20:12: 8 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=