Program PWSCF v.5.1.1 starts on 12Oct2015 at 0: 1:11 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ReNCl4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 30 8 1898 1033 162 Max 46 31 9 1902 1056 169 Sum 2163 1451 421 91181 50317 7967 bravais-lattice index = 14 lattice parameter (alat) = 7.6666 a.u. unit-cell volume = 938.3748 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.666618 celldm(2)= 1.525331 celldm(3)= 1.527138 celldm(4)= 0.105701 celldm(5)= -0.324378 celldm(6)= -0.326864 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.498576 1.441546 0.000000 ) a(3) = ( -0.495370 -0.000528 1.444562 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.345862 0.343047 ) b(2) = ( 0.000000 0.693699 0.000254 ) b(3) = ( 0.000000 0.000000 0.692251 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Re read from file: /home/autes/Pseudo/Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 151eeb7d95de718c8ba0a4937714e2a1 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Re 15.00 186.20700 Re( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.3468497 -0.0001268), wk = 0.0034602 k( 2) = ( 0.0000000 -0.3340035 -0.0001221), wk = 0.0034602 k( 3) = ( 0.0000000 -0.3211572 -0.0001174), wk = 0.0034602 k( 4) = ( 0.0000000 -0.3083109 -0.0001127), wk = 0.0034602 k( 5) = ( 0.0000000 -0.2954646 -0.0001080), wk = 0.0034602 k( 6) = ( 0.0000000 -0.2826183 -0.0001033), wk = 0.0034602 k( 7) = ( 0.0000000 -0.2697720 -0.0000986), wk = 0.0034602 k( 8) = ( 0.0000000 -0.2569257 -0.0000939), wk = 0.0034602 k( 9) = ( 0.0000000 -0.2440794 -0.0000892), wk = 0.0034602 k( 10) = ( 0.0000000 -0.2312332 -0.0000845), wk = 0.0034602 k( 11) = ( 0.0000000 -0.2183869 -0.0000798), wk = 0.0034602 k( 12) = ( 0.0000000 -0.2055406 -0.0000751), wk = 0.0034602 k( 13) = ( 0.0000000 -0.1926943 -0.0000704), wk = 0.0034602 k( 14) = ( 0.0000000 -0.1798480 -0.0000657), wk = 0.0034602 k( 15) = ( 0.0000000 -0.1670017 -0.0000610), wk = 0.0034602 k( 16) = ( 0.0000000 -0.1541554 -0.0000563), wk = 0.0034602 k( 17) = ( 0.0000000 -0.1413092 -0.0000516), wk = 0.0034602 k( 18) = ( 0.0000000 -0.1284629 -0.0000470), wk = 0.0034602 k( 19) = ( 0.0000000 -0.1156166 -0.0000423), wk = 0.0034602 k( 20) = ( 0.0000000 -0.1027703 -0.0000376), wk = 0.0034602 k( 21) = ( 0.0000000 -0.0899240 -0.0000329), wk = 0.0034602 k( 22) = ( 0.0000000 -0.0770777 -0.0000282), wk = 0.0034602 k( 23) = ( 0.0000000 -0.0642314 -0.0000235), wk = 0.0034602 k( 24) = ( 0.0000000 -0.0513851 -0.0000188), wk = 0.0034602 k( 25) = ( 0.0000000 -0.0385389 -0.0000141), wk = 0.0034602 k( 26) = ( 0.0000000 -0.0256926 -0.0000094), wk = 0.0034602 k( 27) = ( 0.0000000 -0.0128463 -0.0000047), wk = 0.0034602 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 30) = ( 0.0113636 0.0039303 0.0038983), wk = 0.0034602 k( 31) = ( 0.0227273 0.0078605 0.0077965), wk = 0.0034602 k( 32) = ( 0.0340909 0.0117907 0.0116948), wk = 0.0034602 k( 33) = ( 0.0454546 0.0157210 0.0155930), wk = 0.0034602 k( 34) = ( 0.0568182 0.0196512 0.0194913), wk = 0.0034602 k( 35) = ( 0.0681818 0.0235815 0.0233896), wk = 0.0034602 k( 36) = ( 0.0795455 0.0275117 0.0272878), wk = 0.0034602 k( 37) = ( 0.0909091 0.0314420 0.0311861), wk = 0.0034602 k( 38) = ( 0.1022727 0.0353722 0.0350843), wk = 0.0034602 k( 39) = ( 0.1136364 0.0393025 0.0389826), wk = 0.0034602 k( 40) = ( 0.1250000 0.0432327 0.0428809), wk = 0.0034602 k( 41) = ( 0.1363636 0.0471630 0.0467791), wk = 0.0034602 k( 42) = ( 0.1477273 0.0510932 0.0506774), wk = 0.0034602 k( 43) = ( 0.1590909 0.0550235 0.0545756), wk = 0.0034602 k( 44) = ( 0.1704546 0.0589537 0.0584739), wk = 0.0034602 k( 45) = ( 0.1818182 0.0628840 0.0623722), wk = 0.0034602 k( 46) = ( 0.1931818 0.0668142 0.0662704), wk = 0.0034602 k( 47) = ( 0.2045454 0.0707445 0.0701687), wk = 0.0034602 k( 48) = ( 0.2159091 0.0746747 0.0740669), wk = 0.0034602 k( 49) = ( 0.2272727 0.0786050 0.0779652), wk = 0.0034602 k( 50) = ( 0.2386364 0.0825352 0.0818635), wk = 0.0034602 k( 51) = ( 0.2500000 0.0864655 0.0857617), wk = 0.0034602 k( 52) = ( 0.2613636 0.0903957 0.0896600), wk = 0.0034602 k( 53) = ( 0.2727273 0.0943260 0.0935582), wk = 0.0034602 k( 54) = ( 0.2840909 0.0982562 0.0974565), wk = 0.0034602 k( 55) = ( 0.2954545 0.1021865 0.1013548), wk = 0.0034602 k( 56) = ( 0.3068182 0.1061167 0.1052530), wk = 0.0034602 k( 57) = ( 0.3181818 0.1100470 0.1091513), wk = 0.0034602 k( 58) = ( 0.3295455 0.1139772 0.1130495), wk = 0.0034602 k( 59) = ( 0.3409091 0.1179075 0.1169478), wk = 0.0034602 k( 60) = ( 0.3522727 0.1218377 0.1208461), wk = 0.0034602 k( 61) = ( 0.3636364 0.1257680 0.1247443), wk = 0.0034602 k( 62) = ( 0.3750000 0.1296982 0.1286426), wk = 0.0034602 k( 63) = ( 0.3863636 0.1336285 0.1325408), wk = 0.0034602 k( 64) = ( 0.3977273 0.1375587 0.1364391), wk = 0.0034602 k( 65) = ( 0.4090909 0.1414890 0.1403374), wk = 0.0034602 k( 66) = ( 0.4204545 0.1454192 0.1442356), wk = 0.0034602 k( 67) = ( 0.4318182 0.1493495 0.1481339), wk = 0.0034602 k( 68) = ( 0.4431818 0.1532797 0.1520321), wk = 0.0034602 k( 69) = ( 0.4545455 0.1572100 0.1559304), wk = 0.0034602 k( 70) = ( 0.4659091 0.1611402 0.1598287), wk = 0.0034602 k( 71) = ( 0.4772727 0.1650705 0.1637269), wk = 0.0034602 k( 72) = ( 0.4886364 0.1690007 0.1676252), wk = 0.0034602 k( 73) = ( 0.5000000 0.1729310 0.1715234), wk = 0.0034602 k( 74) = ( 0.5000000 -0.1739187 0.1713967), wk = 0.0034602 k( 75) = ( 0.4886364 -0.1699660 0.1675013), wk = 0.0034602 k( 76) = ( 0.4772727 -0.1660134 0.1636059), wk = 0.0034602 k( 77) = ( 0.4659091 -0.1620607 0.1597105), wk = 0.0034602 k( 78) = ( 0.4545455 -0.1581080 0.1558151), wk = 0.0034602 k( 79) = ( 0.4431818 -0.1541553 0.1519198), wk = 0.0034602 k( 80) = ( 0.4318182 -0.1502026 0.1480244), wk = 0.0034602 k( 81) = ( 0.4204545 -0.1462499 0.1441290), wk = 0.0034602 k( 82) = ( 0.4090909 -0.1422972 0.1402336), wk = 0.0034602 k( 83) = ( 0.3977273 -0.1383445 0.1363383), wk = 0.0034602 k( 84) = ( 0.3863636 -0.1343918 0.1324429), wk = 0.0034602 k( 85) = ( 0.3750000 -0.1304391 0.1285475), wk = 0.0034602 k( 86) = ( 0.3636364 -0.1264864 0.1246521), wk = 0.0034602 k( 87) = ( 0.3522727 -0.1225337 0.1207567), wk = 0.0034602 k( 88) = ( 0.3409091 -0.1185810 0.1168614), wk = 0.0034602 k( 89) = ( 0.3295455 -0.1146283 0.1129660), wk = 0.0034602 k( 90) = ( 0.3181818 -0.1106756 0.1090706), wk = 0.0034602 k( 91) = ( 0.3068182 -0.1067229 0.1051752), wk = 0.0034602 k( 92) = ( 0.2954545 -0.1027702 0.1012798), wk = 0.0034602 k( 93) = ( 0.2840909 -0.0988175 0.0973845), wk = 0.0034602 k( 94) = ( 0.2727273 -0.0948648 0.0934891), wk = 0.0034602 k( 95) = ( 0.2613636 -0.0909121 0.0895937), wk = 0.0034602 k( 96) = ( 0.2500000 -0.0869594 0.0856983), wk = 0.0034602 k( 97) = ( 0.2386364 -0.0830067 0.0818030), wk = 0.0034602 k( 98) = ( 0.2272727 -0.0790540 0.0779076), wk = 0.0034602 k( 99) = ( 0.2159091 -0.0751013 0.0740122), wk = 0.0034602 k( 100) = ( 0.2045454 -0.0711486 0.0701168), wk = 0.0034602 k( 101) = ( 0.1931818 -0.0671959 0.0662214), wk = 0.0034602 k( 102) = ( 0.1818182 -0.0632432 0.0623261), wk = 0.0034602 k( 103) = ( 0.1704546 -0.0592905 0.0584307), wk = 0.0034602 k( 104) = ( 0.1590909 -0.0553378 0.0545353), wk = 0.0034602 k( 105) = ( 0.1477273 -0.0513851 0.0506399), wk = 0.0034602 k( 106) = ( 0.1363636 -0.0474324 0.0467445), wk = 0.0034602 k( 107) = ( 0.1250000 -0.0434797 0.0428492), wk = 0.0034602 k( 108) = ( 0.1136364 -0.0395270 0.0389538), wk = 0.0034602 k( 109) = ( 0.1022727 -0.0355743 0.0350584), wk = 0.0034602 k( 110) = ( 0.0909091 -0.0316216 0.0311630), wk = 0.0034602 k( 111) = ( 0.0795455 -0.0276689 0.0272676), wk = 0.0034602 k( 112) = ( 0.0681818 -0.0237162 0.0233723), wk = 0.0034602 k( 113) = ( 0.0568182 -0.0197635 0.0194769), wk = 0.0034602 k( 114) = ( 0.0454546 -0.0158108 0.0155815), wk = 0.0034602 k( 115) = ( 0.0340909 -0.0118581 0.0116861), wk = 0.0034602 k( 116) = ( 0.0227273 -0.0079054 0.0077908), wk = 0.0034602 k( 117) = ( 0.0113636 -0.0039527 0.0038954), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 120) = ( -0.0113636 -0.0039303 0.0039682), wk = 0.0034602 k( 121) = ( -0.0227273 -0.0078605 0.0079365), wk = 0.0034602 k( 122) = ( -0.0340909 -0.0117907 0.0119047), wk = 0.0034602 k( 123) = ( -0.0454546 -0.0157210 0.0158729), wk = 0.0034602 k( 124) = ( -0.0568182 -0.0196512 0.0198412), wk = 0.0034602 k( 125) = ( -0.0681818 -0.0235815 0.0238094), wk = 0.0034602 k( 126) = ( -0.0795455 -0.0275117 0.0277776), wk = 0.0034602 k( 127) = ( -0.0909091 -0.0314420 0.0317459), wk = 0.0034602 k( 128) = ( -0.1022727 -0.0353722 0.0357141), wk = 0.0034602 k( 129) = ( -0.1136364 -0.0393025 0.0396823), wk = 0.0034602 k( 130) = ( -0.1250000 -0.0432327 0.0436506), wk = 0.0034602 k( 131) = ( -0.1363636 -0.0471630 0.0476188), wk = 0.0034602 k( 132) = ( -0.1477273 -0.0510932 0.0515870), wk = 0.0034602 k( 133) = ( -0.1590909 -0.0550235 0.0555553), wk = 0.0034602 k( 134) = ( -0.1704546 -0.0589537 0.0595235), wk = 0.0034602 k( 135) = ( -0.1818182 -0.0628840 0.0634917), wk = 0.0034602 k( 136) = ( -0.1931818 -0.0668142 0.0674600), wk = 0.0034602 k( 137) = ( -0.2045454 -0.0707445 0.0714282), wk = 0.0034602 k( 138) = ( -0.2159091 -0.0746747 0.0753964), wk = 0.0034602 k( 139) = ( -0.2272727 -0.0786050 0.0793647), wk = 0.0034602 k( 140) = ( -0.2386364 -0.0825352 0.0833329), wk = 0.0034602 k( 141) = ( -0.2500000 -0.0864655 0.0873011), wk = 0.0034602 k( 142) = ( -0.2613636 -0.0903957 0.0912694), wk = 0.0034602 k( 143) = ( -0.2727273 -0.0943260 0.0952376), wk = 0.0034602 k( 144) = ( -0.2840909 -0.0982562 0.0992058), wk = 0.0034602 k( 145) = ( -0.2954545 -0.1021865 0.1031741), wk = 0.0034602 k( 146) = ( -0.3068182 -0.1061167 0.1071423), wk = 0.0034602 k( 147) = ( -0.3181818 -0.1100470 0.1111105), wk = 0.0034602 k( 148) = ( -0.3295455 -0.1139772 0.1150788), wk = 0.0034602 k( 149) = ( -0.3409091 -0.1179075 0.1190470), wk = 0.0034602 k( 150) = ( -0.3522727 -0.1218377 0.1230152), wk = 0.0034602 k( 151) = ( -0.3636364 -0.1257680 0.1269835), wk = 0.0034602 k( 152) = ( -0.3750000 -0.1296982 0.1309517), wk = 0.0034602 k( 153) = ( -0.3863636 -0.1336285 0.1349199), wk = 0.0034602 k( 154) = ( -0.3977273 -0.1375587 0.1388882), wk = 0.0034602 k( 155) = ( -0.4090909 -0.1414890 0.1428564), wk = 0.0034602 k( 156) = ( -0.4204545 -0.1454192 0.1468246), wk = 0.0034602 k( 157) = ( -0.4318182 -0.1493495 0.1507929), wk = 0.0034602 k( 158) = ( -0.4431818 -0.1532797 0.1547611), wk = 0.0034602 k( 159) = ( -0.4545455 -0.1572100 0.1587293), wk = 0.0034602 k( 160) = ( -0.4659091 -0.1611402 0.1626976), wk = 0.0034602 k( 161) = ( -0.4772727 -0.1650705 0.1666658), wk = 0.0034602 k( 162) = ( -0.4886364 -0.1690007 0.1706340), wk = 0.0034602 k( 163) = ( -0.5000000 -0.1729310 0.1746023), wk = 0.0034602 k( 164) = ( -0.5000000 -0.5197807 0.1744755), wk = 0.0034602 k( 165) = ( -0.4913793 -0.5108190 0.1714673), wk = 0.0034602 k( 166) = ( -0.4827586 -0.5018573 0.1684591), wk = 0.0034602 k( 167) = ( -0.4741379 -0.4928955 0.1654509), wk = 0.0034602 k( 168) = ( -0.4655172 -0.4839338 0.1624427), wk = 0.0034602 k( 169) = ( -0.4568966 -0.4749720 0.1594345), wk = 0.0034602 k( 170) = ( -0.4482759 -0.4660103 0.1564263), wk = 0.0034602 k( 171) = ( -0.4396552 -0.4570486 0.1534181), wk = 0.0034602 k( 172) = ( -0.4310345 -0.4480868 0.1504099), wk = 0.0034602 k( 173) = ( -0.4224138 -0.4391251 0.1474017), wk = 0.0034602 k( 174) = ( -0.4137931 -0.4301634 0.1443935), wk = 0.0034602 k( 175) = ( -0.4051724 -0.4212016 0.1413853), wk = 0.0034602 k( 176) = ( -0.3965517 -0.4122399 0.1383771), wk = 0.0034602 k( 177) = ( -0.3879310 -0.4032781 0.1353689), wk = 0.0034602 k( 178) = ( -0.3793103 -0.3943164 0.1323607), wk = 0.0034602 k( 179) = ( -0.3706897 -0.3853547 0.1293525), wk = 0.0034602 k( 180) = ( -0.3620690 -0.3763929 0.1263443), wk = 0.0034602 k( 181) = ( -0.3534483 -0.3674312 0.1233361), wk = 0.0034602 k( 182) = ( -0.3448276 -0.3584695 0.1203279), wk = 0.0034602 k( 183) = ( -0.3362069 -0.3495077 0.1173197), wk = 0.0034602 k( 184) = ( -0.3275862 -0.3405460 0.1143115), wk = 0.0034602 k( 185) = ( -0.3189655 -0.3315843 0.1113033), wk = 0.0034602 k( 186) = ( -0.3103448 -0.3226225 0.1082951), wk = 0.0034602 k( 187) = ( -0.3017241 -0.3136608 0.1052869), wk = 0.0034602 k( 188) = ( -0.2931034 -0.3046991 0.1022787), wk = 0.0034602 k( 189) = ( -0.2844828 -0.2957373 0.0992705), wk = 0.0034602 k( 190) = ( -0.2758621 -0.2867756 0.0962623), wk = 0.0034602 k( 191) = ( -0.2672414 -0.2778138 0.0932541), wk = 0.0034602 k( 192) = ( -0.2586207 -0.2688521 0.0902459), wk = 0.0034602 k( 193) = ( -0.2500000 -0.2598904 0.0872377), wk = 0.0034602 k( 194) = ( -0.2413793 -0.2509286 0.0842295), wk = 0.0034602 k( 195) = ( -0.2327586 -0.2419669 0.0812213), wk = 0.0034602 k( 196) = ( -0.2241379 -0.2330052 0.0782131), wk = 0.0034602 k( 197) = ( -0.2155172 -0.2240434 0.0752049), wk = 0.0034602 k( 198) = ( -0.2068966 -0.2150817 0.0721967), wk = 0.0034602 k( 199) = ( -0.1982759 -0.2061199 0.0691885), wk = 0.0034602 k( 200) = ( -0.1896552 -0.1971582 0.0661804), wk = 0.0034602 k( 201) = ( -0.1810345 -0.1881965 0.0631722), wk = 0.0034602 k( 202) = ( -0.1724138 -0.1792347 0.0601640), wk = 0.0034602 k( 203) = ( -0.1637931 -0.1702730 0.0571558), wk = 0.0034602 k( 204) = ( -0.1551724 -0.1613113 0.0541476), wk = 0.0034602 k( 205) = ( -0.1465517 -0.1523495 0.0511394), wk = 0.0034602 k( 206) = ( -0.1379310 -0.1433878 0.0481312), wk = 0.0034602 k( 207) = ( -0.1293103 -0.1344260 0.0451230), wk = 0.0034602 k( 208) = ( -0.1206897 -0.1254643 0.0421148), wk = 0.0034602 k( 209) = ( -0.1120690 -0.1165026 0.0391066), wk = 0.0034602 k( 210) = ( -0.1034483 -0.1075408 0.0360984), wk = 0.0034602 k( 211) = ( -0.0948276 -0.0985791 0.0330902), wk = 0.0034602 k( 212) = ( -0.0862069 -0.0896174 0.0300820), wk = 0.0034602 k( 213) = ( -0.0775862 -0.0806556 0.0270738), wk = 0.0034602 k( 214) = ( -0.0689655 -0.0716939 0.0240656), wk = 0.0034602 k( 215) = ( -0.0603448 -0.0627322 0.0210574), wk = 0.0034602 k( 216) = ( -0.0517241 -0.0537704 0.0180492), wk = 0.0034602 k( 217) = ( -0.0431035 -0.0448087 0.0150410), wk = 0.0034602 k( 218) = ( -0.0344828 -0.0358469 0.0120328), wk = 0.0034602 k( 219) = ( -0.0258621 -0.0268852 0.0090246), wk = 0.0034602 k( 220) = ( -0.0172414 -0.0179235 0.0060164), wk = 0.0034602 k( 221) = ( -0.0086207 -0.0089617 0.0030082), wk = 0.0034602 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 224) = ( 0.0000000 0.0000000 0.0128195), wk = 0.0034602 k( 225) = ( 0.0000000 0.0000000 0.0256389), wk = 0.0034602 k( 226) = ( 0.0000000 0.0000000 0.0384584), wk = 0.0034602 k( 227) = ( 0.0000000 0.0000000 0.0512779), wk = 0.0034602 k( 228) = ( 0.0000000 0.0000000 0.0640973), wk = 0.0034602 k( 229) = ( 0.0000000 0.0000000 0.0769168), wk = 0.0034602 k( 230) = ( 0.0000000 0.0000000 0.0897363), wk = 0.0034602 k( 231) = ( 0.0000000 0.0000000 0.1025558), wk = 0.0034602 k( 232) = ( 0.0000000 0.0000000 0.1153752), wk = 0.0034602 k( 233) = ( 0.0000000 0.0000000 0.1281947), wk = 0.0034602 k( 234) = ( 0.0000000 0.0000000 0.1410142), wk = 0.0034602 k( 235) = ( 0.0000000 0.0000000 0.1538336), wk = 0.0034602 k( 236) = ( 0.0000000 0.0000000 0.1666531), wk = 0.0034602 k( 237) = ( 0.0000000 0.0000000 0.1794726), wk = 0.0034602 k( 238) = ( 0.0000000 0.0000000 0.1922921), wk = 0.0034602 k( 239) = ( 0.0000000 0.0000000 0.2051115), wk = 0.0034602 k( 240) = ( 0.0000000 0.0000000 0.2179310), wk = 0.0034602 k( 241) = ( 0.0000000 0.0000000 0.2307505), wk = 0.0034602 k( 242) = ( 0.0000000 0.0000000 0.2435699), wk = 0.0034602 k( 243) = ( 0.0000000 0.0000000 0.2563894), wk = 0.0034602 k( 244) = ( 0.0000000 0.0000000 0.2692089), wk = 0.0034602 k( 245) = ( 0.0000000 0.0000000 0.2820283), wk = 0.0034602 k( 246) = ( 0.0000000 0.0000000 0.2948478), wk = 0.0034602 k( 247) = ( 0.0000000 0.0000000 0.3076673), wk = 0.0034602 k( 248) = ( 0.0000000 0.0000000 0.3204867), wk = 0.0034602 k( 249) = ( 0.0000000 0.0000000 0.3333062), wk = 0.0034602 k( 250) = ( 0.0000000 0.0000000 0.3461257), wk = 0.0034602 k( 251) = ( 0.0000000 -0.3468497 0.3459989), wk = 0.0034602 k( 252) = ( 0.0000000 -0.3377221 0.3368937), wk = 0.0034602 k( 253) = ( 0.0000000 -0.3285945 0.3277884), wk = 0.0034602 k( 254) = ( 0.0000000 -0.3194669 0.3186832), wk = 0.0034602 k( 255) = ( 0.0000000 -0.3103392 0.3095780), wk = 0.0034602 k( 256) = ( 0.0000000 -0.3012116 0.3004727), wk = 0.0034602 k( 257) = ( 0.0000000 -0.2920840 0.2913675), wk = 0.0034602 k( 258) = ( 0.0000000 -0.2829564 0.2822623), wk = 0.0034602 k( 259) = ( 0.0000000 -0.2738287 0.2731570), wk = 0.0034602 k( 260) = ( 0.0000000 -0.2647011 0.2640518), wk = 0.0034602 k( 261) = ( 0.0000000 -0.2555735 0.2549466), wk = 0.0034602 k( 262) = ( 0.0000000 -0.2464459 0.2458413), wk = 0.0034602 k( 263) = ( 0.0000000 -0.2373182 0.2367361), wk = 0.0034602 k( 264) = ( 0.0000000 -0.2281906 0.2276309), wk = 0.0034602 k( 265) = ( 0.0000000 -0.2190630 0.2185256), wk = 0.0034602 k( 266) = ( 0.0000000 -0.2099354 0.2094204), wk = 0.0034602 k( 267) = ( 0.0000000 -0.2008077 0.2003152), wk = 0.0034602 k( 268) = ( 0.0000000 -0.1916801 0.1912099), wk = 0.0034602 k( 269) = ( 0.0000000 -0.1825525 0.1821047), wk = 0.0034602 k( 270) = ( 0.0000000 -0.1734249 0.1729995), wk = 0.0034602 k( 271) = ( 0.0000000 -0.1642972 0.1638942), wk = 0.0034602 k( 272) = ( 0.0000000 -0.1551696 0.1547890), wk = 0.0034602 k( 273) = ( 0.0000000 -0.1460420 0.1456838), wk = 0.0034602 k( 274) = ( 0.0000000 -0.1369144 0.1365785), wk = 0.0034602 k( 275) = ( 0.0000000 -0.1277867 0.1274733), wk = 0.0034602 k( 276) = ( 0.0000000 -0.1186591 0.1183680), wk = 0.0034602 k( 277) = ( 0.0000000 -0.1095315 0.1092628), wk = 0.0034602 k( 278) = ( 0.0000000 -0.1004039 0.1001576), wk = 0.0034602 k( 279) = ( 0.0000000 -0.0912762 0.0910523), wk = 0.0034602 k( 280) = ( 0.0000000 -0.0821486 0.0819471), wk = 0.0034602 k( 281) = ( 0.0000000 -0.0730210 0.0728419), wk = 0.0034602 k( 282) = ( 0.0000000 -0.0638934 0.0637366), wk = 0.0034602 k( 283) = ( 0.0000000 -0.0547657 0.0546314), wk = 0.0034602 k( 284) = ( 0.0000000 -0.0456381 0.0455262), wk = 0.0034602 k( 285) = ( 0.0000000 -0.0365105 0.0364209), wk = 0.0034602 k( 286) = ( 0.0000000 -0.0273829 0.0273157), wk = 0.0034602 k( 287) = ( 0.0000000 -0.0182552 0.0182105), wk = 0.0034602 k( 288) = ( 0.0000000 -0.0091276 0.0091052), wk = 0.0034602 k( 289) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0034602 k( 2) = ( 0.0000000 -0.4814815 0.0000000), wk = 0.0034602 k( 3) = ( 0.0000000 -0.4629630 0.0000000), wk = 0.0034602 k( 4) = ( 0.0000000 -0.4444444 0.0000000), wk = 0.0034602 k( 5) = ( 0.0000000 -0.4259259 0.0000000), wk = 0.0034602 k( 6) = ( 0.0000000 -0.4074074 0.0000000), wk = 0.0034602 k( 7) = ( 0.0000000 -0.3888889 0.0000000), wk = 0.0034602 k( 8) = ( 0.0000000 -0.3703704 0.0000000), wk = 0.0034602 k( 9) = ( 0.0000000 -0.3518519 0.0000000), wk = 0.0034602 k( 10) = ( 0.0000000 -0.3333333 0.0000000), wk = 0.0034602 k( 11) = ( 0.0000000 -0.3148148 0.0000000), wk = 0.0034602 k( 12) = ( 0.0000000 -0.2962963 -0.0000000), wk = 0.0034602 k( 13) = ( 0.0000000 -0.2777778 0.0000000), wk = 0.0034602 k( 14) = ( 0.0000000 -0.2592593 0.0000000), wk = 0.0034602 k( 15) = ( 0.0000000 -0.2407407 0.0000000), wk = 0.0034602 k( 16) = ( 0.0000000 -0.2222222 0.0000000), wk = 0.0034602 k( 17) = ( 0.0000000 -0.2037037 0.0000000), wk = 0.0034602 k( 18) = ( 0.0000000 -0.1851852 -0.0000000), wk = 0.0034602 k( 19) = ( 0.0000000 -0.1666667 0.0000000), wk = 0.0034602 k( 20) = ( 0.0000000 -0.1481482 -0.0000000), wk = 0.0034602 k( 21) = ( 0.0000000 -0.1296296 0.0000000), wk = 0.0034602 k( 22) = ( 0.0000000 -0.1111111 0.0000000), wk = 0.0034602 k( 23) = ( 0.0000000 -0.0925926 0.0000000), wk = 0.0034602 k( 24) = ( 0.0000000 -0.0740741 0.0000000), wk = 0.0034602 k( 25) = ( 0.0000000 -0.0555556 0.0000000), wk = 0.0034602 k( 26) = ( 0.0000000 -0.0370370 -0.0000000), wk = 0.0034602 k( 27) = ( 0.0000000 -0.0185185 -0.0000000), wk = 0.0034602 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 30) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0034602 k( 31) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0034602 k( 32) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0034602 k( 33) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0034602 k( 34) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0034602 k( 37) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0034602 k( 38) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0034602 k( 39) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0034602 k( 40) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0034602 k( 43) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0034602 k( 44) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0034602 k( 45) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0034602 k( 46) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0034602 k( 47) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0034602 k( 48) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0034602 k( 49) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0034602 k( 50) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0034602 k( 51) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034602 k( 52) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0034602 k( 53) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0034602 k( 54) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0034602 k( 55) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0034602 k( 56) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0034602 k( 57) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0034602 k( 59) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0034602 k( 60) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0034602 k( 61) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0034602 k( 62) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034602 k( 63) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0034602 k( 64) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0034602 k( 65) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0034602 k( 66) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0034602 k( 67) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0034602 k( 68) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0034602 k( 69) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0034602 k( 70) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0034602 k( 71) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0034602 k( 72) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0034602 k( 73) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 74) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0034602 k( 75) = ( 0.4886364 -0.4886364 0.0000000), wk = 0.0034602 k( 76) = ( 0.4772727 -0.4772727 0.0000000), wk = 0.0034602 k( 77) = ( 0.4659091 -0.4659091 0.0000000), wk = 0.0034602 k( 78) = ( 0.4545455 -0.4545455 0.0000000), wk = 0.0034602 k( 79) = ( 0.4431818 -0.4431818 0.0000000), wk = 0.0034602 k( 80) = ( 0.4318182 -0.4318182 0.0000000), wk = 0.0034602 k( 81) = ( 0.4204545 -0.4204545 -0.0000000), wk = 0.0034602 k( 82) = ( 0.4090909 -0.4090909 0.0000000), wk = 0.0034602 k( 83) = ( 0.3977273 -0.3977273 -0.0000000), wk = 0.0034602 k( 84) = ( 0.3863636 -0.3863636 -0.0000000), wk = 0.0034602 k( 85) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0034602 k( 86) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0034602 k( 87) = ( 0.3522727 -0.3522727 -0.0000000), wk = 0.0034602 k( 88) = ( 0.3409091 -0.3409091 0.0000000), wk = 0.0034602 k( 89) = ( 0.3295455 -0.3295455 0.0000000), wk = 0.0034602 k( 90) = ( 0.3181818 -0.3181818 -0.0000000), wk = 0.0034602 k( 91) = ( 0.3068182 -0.3068182 0.0000000), wk = 0.0034602 k( 92) = ( 0.2954545 -0.2954545 0.0000000), wk = 0.0034602 k( 93) = ( 0.2840909 -0.2840909 0.0000000), wk = 0.0034602 k( 94) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0034602 k( 95) = ( 0.2613636 -0.2613636 0.0000000), wk = 0.0034602 k( 96) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0034602 k( 97) = ( 0.2386364 -0.2386364 0.0000000), wk = 0.0034602 k( 98) = ( 0.2272727 -0.2272727 -0.0000000), wk = 0.0034602 k( 99) = ( 0.2159091 -0.2159091 0.0000000), wk = 0.0034602 k( 100) = ( 0.2045454 -0.2045454 0.0000000), wk = 0.0034602 k( 101) = ( 0.1931818 -0.1931818 -0.0000000), wk = 0.0034602 k( 102) = ( 0.1818182 -0.1818182 0.0000000), wk = 0.0034602 k( 103) = ( 0.1704546 -0.1704546 0.0000000), wk = 0.0034602 k( 104) = ( 0.1590909 -0.1590909 -0.0000000), wk = 0.0034602 k( 105) = ( 0.1477273 -0.1477273 0.0000000), wk = 0.0034602 k( 106) = ( 0.1363636 -0.1363636 0.0000000), wk = 0.0034602 k( 107) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0034602 k( 108) = ( 0.1136364 -0.1136364 -0.0000000), wk = 0.0034602 k( 109) = ( 0.1022727 -0.1022727 0.0000000), wk = 0.0034602 k( 110) = ( 0.0909091 -0.0909091 0.0000000), wk = 0.0034602 k( 111) = ( 0.0795455 -0.0795455 0.0000000), wk = 0.0034602 k( 112) = ( 0.0681818 -0.0681818 0.0000000), wk = 0.0034602 k( 113) = ( 0.0568182 -0.0568182 -0.0000000), wk = 0.0034602 k( 114) = ( 0.0454546 -0.0454545 0.0000000), wk = 0.0034602 k( 115) = ( 0.0340909 -0.0340909 0.0000000), wk = 0.0034602 k( 116) = ( 0.0227273 -0.0227273 0.0000000), wk = 0.0034602 k( 117) = ( 0.0113636 -0.0113636 0.0000000), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 120) = ( -0.0113636 0.0000000 0.0113636), wk = 0.0034602 k( 121) = ( -0.0227273 0.0000000 0.0227273), wk = 0.0034602 k( 122) = ( -0.0340909 0.0000000 0.0340909), wk = 0.0034602 k( 123) = ( -0.0454546 -0.0000000 0.0454545), wk = 0.0034602 k( 124) = ( -0.0568182 0.0000000 0.0568182), wk = 0.0034602 k( 125) = ( -0.0681818 0.0000000 0.0681818), wk = 0.0034602 k( 126) = ( -0.0795455 0.0000000 0.0795454), wk = 0.0034602 k( 127) = ( -0.0909091 0.0000000 0.0909091), wk = 0.0034602 k( 128) = ( -0.1022727 0.0000000 0.1022727), wk = 0.0034602 k( 129) = ( -0.1136364 0.0000000 0.1136364), wk = 0.0034602 k( 130) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0034602 k( 131) = ( -0.1363636 0.0000000 0.1363636), wk = 0.0034602 k( 132) = ( -0.1477273 0.0000000 0.1477273), wk = 0.0034602 k( 133) = ( -0.1590909 0.0000000 0.1590909), wk = 0.0034602 k( 134) = ( -0.1704546 0.0000000 0.1704545), wk = 0.0034602 k( 135) = ( -0.1818182 0.0000000 0.1818182), wk = 0.0034602 k( 136) = ( -0.1931818 0.0000000 0.1931818), wk = 0.0034602 k( 137) = ( -0.2045454 0.0000000 0.2045454), wk = 0.0034602 k( 138) = ( -0.2159091 0.0000000 0.2159091), wk = 0.0034602 k( 139) = ( -0.2272727 0.0000000 0.2272727), wk = 0.0034602 k( 140) = ( -0.2386364 0.0000000 0.2386364), wk = 0.0034602 k( 141) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0034602 k( 142) = ( -0.2613636 0.0000000 0.2613636), wk = 0.0034602 k( 143) = ( -0.2727273 0.0000000 0.2727273), wk = 0.0034602 k( 144) = ( -0.2840909 0.0000000 0.2840909), wk = 0.0034602 k( 145) = ( -0.2954545 0.0000000 0.2954545), wk = 0.0034602 k( 146) = ( -0.3068182 0.0000000 0.3068182), wk = 0.0034602 k( 147) = ( -0.3181818 0.0000000 0.3181818), wk = 0.0034602 k( 148) = ( -0.3295455 0.0000000 0.3295454), wk = 0.0034602 k( 149) = ( -0.3409091 0.0000000 0.3409091), wk = 0.0034602 k( 150) = ( -0.3522727 0.0000000 0.3522727), wk = 0.0034602 k( 151) = ( -0.3636364 0.0000000 0.3636364), wk = 0.0034602 k( 152) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0034602 k( 153) = ( -0.3863636 0.0000000 0.3863636), wk = 0.0034602 k( 154) = ( -0.3977273 -0.0000000 0.3977273), wk = 0.0034602 k( 155) = ( -0.4090909 0.0000000 0.4090909), wk = 0.0034602 k( 156) = ( -0.4204545 -0.0000000 0.4204545), wk = 0.0034602 k( 157) = ( -0.4318182 0.0000000 0.4318182), wk = 0.0034602 k( 158) = ( -0.4431818 -0.0000000 0.4431818), wk = 0.0034602 k( 159) = ( -0.4545455 0.0000000 0.4545455), wk = 0.0034602 k( 160) = ( -0.4659091 0.0000000 0.4659091), wk = 0.0034602 k( 161) = ( -0.4772727 0.0000000 0.4772727), wk = 0.0034602 k( 162) = ( -0.4886364 0.0000000 0.4886364), wk = 0.0034602 k( 163) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 164) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0034602 k( 165) = ( -0.4913793 -0.4913793 0.4913793), wk = 0.0034602 k( 166) = ( -0.4827586 -0.4827586 0.4827586), wk = 0.0034602 k( 167) = ( -0.4741379 -0.4741379 0.4741379), wk = 0.0034602 k( 168) = ( -0.4655172 -0.4655172 0.4655172), wk = 0.0034602 k( 169) = ( -0.4568966 -0.4568965 0.4568965), wk = 0.0034602 k( 170) = ( -0.4482759 -0.4482759 0.4482759), wk = 0.0034602 k( 171) = ( -0.4396552 -0.4396552 0.4396552), wk = 0.0034602 k( 172) = ( -0.4310345 -0.4310345 0.4310345), wk = 0.0034602 k( 173) = ( -0.4224138 -0.4224138 0.4224138), wk = 0.0034602 k( 174) = ( -0.4137931 -0.4137931 0.4137931), wk = 0.0034602 k( 175) = ( -0.4051724 -0.4051724 0.4051724), wk = 0.0034602 k( 176) = ( -0.3965517 -0.3965517 0.3965517), wk = 0.0034602 k( 177) = ( -0.3879310 -0.3879310 0.3879310), wk = 0.0034602 k( 178) = ( -0.3793103 -0.3793103 0.3793103), wk = 0.0034602 k( 179) = ( -0.3706897 -0.3706897 0.3706897), wk = 0.0034602 k( 180) = ( -0.3620690 -0.3620690 0.3620690), wk = 0.0034602 k( 181) = ( -0.3534483 -0.3534483 0.3534483), wk = 0.0034602 k( 182) = ( -0.3448276 -0.3448276 0.3448276), wk = 0.0034602 k( 183) = ( -0.3362069 -0.3362069 0.3362069), wk = 0.0034602 k( 184) = ( -0.3275862 -0.3275862 0.3275862), wk = 0.0034602 k( 185) = ( -0.3189655 -0.3189655 0.3189655), wk = 0.0034602 k( 186) = ( -0.3103448 -0.3103448 0.3103448), wk = 0.0034602 k( 187) = ( -0.3017241 -0.3017241 0.3017241), wk = 0.0034602 k( 188) = ( -0.2931034 -0.2931034 0.2931034), wk = 0.0034602 k( 189) = ( -0.2844828 -0.2844828 0.2844828), wk = 0.0034602 k( 190) = ( -0.2758621 -0.2758621 0.2758621), wk = 0.0034602 k( 191) = ( -0.2672414 -0.2672414 0.2672414), wk = 0.0034602 k( 192) = ( -0.2586207 -0.2586207 0.2586207), wk = 0.0034602 k( 193) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0034602 k( 194) = ( -0.2413793 -0.2413793 0.2413793), wk = 0.0034602 k( 195) = ( -0.2327586 -0.2327586 0.2327586), wk = 0.0034602 k( 196) = ( -0.2241379 -0.2241379 0.2241379), wk = 0.0034602 k( 197) = ( -0.2155172 -0.2155172 0.2155172), wk = 0.0034602 k( 198) = ( -0.2068966 -0.2068966 0.2068966), wk = 0.0034602 k( 199) = ( -0.1982759 -0.1982759 0.1982759), wk = 0.0034602 k( 200) = ( -0.1896552 -0.1896552 0.1896552), wk = 0.0034602 k( 201) = ( -0.1810345 -0.1810345 0.1810345), wk = 0.0034602 k( 202) = ( -0.1724138 -0.1724138 0.1724138), wk = 0.0034602 k( 203) = ( -0.1637931 -0.1637931 0.1637931), wk = 0.0034602 k( 204) = ( -0.1551724 -0.1551724 0.1551724), wk = 0.0034602 k( 205) = ( -0.1465517 -0.1465517 0.1465517), wk = 0.0034602 k( 206) = ( -0.1379310 -0.1379310 0.1379310), wk = 0.0034602 k( 207) = ( -0.1293103 -0.1293103 0.1293103), wk = 0.0034602 k( 208) = ( -0.1206897 -0.1206897 0.1206897), wk = 0.0034602 k( 209) = ( -0.1120690 -0.1120690 0.1120690), wk = 0.0034602 k( 210) = ( -0.1034483 -0.1034483 0.1034483), wk = 0.0034602 k( 211) = ( -0.0948276 -0.0948276 0.0948276), wk = 0.0034602 k( 212) = ( -0.0862069 -0.0862069 0.0862069), wk = 0.0034602 k( 213) = ( -0.0775862 -0.0775862 0.0775862), wk = 0.0034602 k( 214) = ( -0.0689655 -0.0689655 0.0689655), wk = 0.0034602 k( 215) = ( -0.0603448 -0.0603448 0.0603448), wk = 0.0034602 k( 216) = ( -0.0517241 -0.0517241 0.0517241), wk = 0.0034602 k( 217) = ( -0.0431035 -0.0431035 0.0431035), wk = 0.0034602 k( 218) = ( -0.0344828 -0.0344828 0.0344828), wk = 0.0034602 k( 219) = ( -0.0258621 -0.0258621 0.0258621), wk = 0.0034602 k( 220) = ( -0.0172414 -0.0172414 0.0172414), wk = 0.0034602 k( 221) = ( -0.0086207 -0.0086207 0.0086207), wk = 0.0034602 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 224) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0034602 k( 225) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0034602 k( 226) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034602 k( 227) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0034602 k( 228) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0034602 k( 229) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034602 k( 230) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0034602 k( 231) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0034602 k( 232) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034602 k( 233) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0034602 k( 234) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0034602 k( 235) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034602 k( 236) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0034602 k( 237) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0034602 k( 238) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034602 k( 239) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0034602 k( 240) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0034602 k( 241) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034602 k( 242) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0034602 k( 243) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0034602 k( 244) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034602 k( 245) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0034602 k( 246) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0034602 k( 247) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034602 k( 248) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0034602 k( 249) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0034602 k( 250) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 251) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0034602 k( 252) = ( 0.0000000 -0.4868421 0.4868421), wk = 0.0034602 k( 253) = ( 0.0000000 -0.4736842 0.4736842), wk = 0.0034602 k( 254) = ( 0.0000000 -0.4605263 0.4605263), wk = 0.0034602 k( 255) = ( 0.0000000 -0.4473684 0.4473684), wk = 0.0034602 k( 256) = ( 0.0000000 -0.4342105 0.4342105), wk = 0.0034602 k( 257) = ( 0.0000000 -0.4210526 0.4210526), wk = 0.0034602 k( 258) = ( 0.0000000 -0.4078947 0.4078947), wk = 0.0034602 k( 259) = ( 0.0000000 -0.3947368 0.3947368), wk = 0.0034602 k( 260) = ( 0.0000000 -0.3815789 0.3815789), wk = 0.0034602 k( 261) = ( 0.0000000 -0.3684211 0.3684210), wk = 0.0034602 k( 262) = ( 0.0000000 -0.3552632 0.3552632), wk = 0.0034602 k( 263) = ( 0.0000000 -0.3421053 0.3421053), wk = 0.0034602 k( 264) = ( 0.0000000 -0.3289474 0.3289474), wk = 0.0034602 k( 265) = ( 0.0000000 -0.3157895 0.3157895), wk = 0.0034602 k( 266) = ( 0.0000000 -0.3026316 0.3026316), wk = 0.0034602 k( 267) = ( 0.0000000 -0.2894737 0.2894737), wk = 0.0034602 k( 268) = ( 0.0000000 -0.2763158 0.2763158), wk = 0.0034602 k( 269) = ( 0.0000000 -0.2631579 0.2631579), wk = 0.0034602 k( 270) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0034602 k( 271) = ( 0.0000000 -0.2368421 0.2368421), wk = 0.0034602 k( 272) = ( 0.0000000 -0.2236842 0.2236842), wk = 0.0034602 k( 273) = ( 0.0000000 -0.2105263 0.2105263), wk = 0.0034602 k( 274) = ( 0.0000000 -0.1973684 0.1973684), wk = 0.0034602 k( 275) = ( 0.0000000 -0.1842105 0.1842105), wk = 0.0034602 k( 276) = ( 0.0000000 -0.1710526 0.1710526), wk = 0.0034602 k( 277) = ( 0.0000000 -0.1578947 0.1578947), wk = 0.0034602 k( 278) = ( 0.0000000 -0.1447368 0.1447368), wk = 0.0034602 k( 279) = ( 0.0000000 -0.1315790 0.1315790), wk = 0.0034602 k( 280) = ( 0.0000000 -0.1184210 0.1184210), wk = 0.0034602 k( 281) = ( 0.0000000 -0.1052632 0.1052632), wk = 0.0034602 k( 282) = ( 0.0000000 -0.0921053 0.0921053), wk = 0.0034602 k( 283) = ( 0.0000000 -0.0789474 0.0789474), wk = 0.0034602 k( 284) = ( 0.0000000 -0.0657895 0.0657895), wk = 0.0034602 k( 285) = ( 0.0000000 -0.0526316 0.0526316), wk = 0.0034602 k( 286) = ( 0.0000000 -0.0394737 0.0394737), wk = 0.0034602 k( 287) = ( 0.0000000 -0.0263158 0.0263158), wk = 0.0034602 k( 288) = ( 0.0000000 -0.0131579 0.0131579), wk = 0.0034602 k( 289) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 Dense grid: 91181 G-vectors FFT dimensions: ( 45, 72, 72) Smooth grid: 50317 G-vectors FFT dimensions: ( 36, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 280, 58) NL pseudopotentials 0.39 Mb ( 140, 184) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.01 Mb ( 1900) G-vector shells 0.01 Mb ( 1869) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 280, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.33 Mb ( 184, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ReNCl4.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 48.7 secs Computing kpt #: 5 total cpu time spent up to now is 50.6 secs Computing kpt #: 6 total cpu time spent up to now is 52.6 secs Computing kpt #: 7 total cpu time spent up to now is 54.6 secs Computing kpt #: 8 total cpu time spent up to now is 56.5 secs Computing kpt #: 9 total cpu time spent up to now is 58.4 secs Computing kpt #: 10 total cpu time spent up to now is 60.3 secs Computing kpt #: 11 total cpu time spent up to now is 62.2 secs Computing kpt #: 12 total cpu time spent up to now is 64.1 secs Computing kpt #: 13 total cpu time spent up to now is 66.1 secs Computing kpt #: 14 total cpu time spent up to now is 68.0 secs Computing kpt #: 15 total cpu time spent up to now is 69.9 secs Computing kpt #: 16 total cpu time spent up to now is 71.9 secs Computing kpt #: 17 total cpu time spent up to now is 74.2 secs Computing kpt #: 18 total cpu time spent up to now is 76.0 secs Computing kpt #: 19 total cpu time spent up to now is 78.0 secs Computing kpt #: 20 total cpu time spent up to now is 79.9 secs Computing kpt #: 21 total cpu time spent up to now is 81.8 secs Computing kpt #: 22 total cpu time spent up to now is 83.8 secs Computing kpt #: 23 total cpu time spent up to now is 85.9 secs Computing kpt #: 24 total cpu time spent up to now is 87.8 secs Computing kpt #: 25 total cpu time spent up to now is 89.8 secs Computing kpt #: 26 total cpu time spent up to now is 91.7 secs Computing kpt #: 27 total cpu time spent up to now is 93.7 secs Computing kpt #: 28 total cpu time spent up to now is 95.6 secs Computing kpt #: 29 total cpu time spent up to now is 97.5 secs Computing kpt #: 30 total cpu time spent up to now is 99.9 secs Computing kpt #: 31 total cpu time spent up to now is 102.3 secs Computing kpt #: 32 total cpu time spent up to now is 104.2 secs Computing kpt #: 33 total cpu time spent up to now is 106.2 secs Computing kpt #: 34 total cpu time spent up to now is 108.3 secs Computing kpt #: 35 total cpu time spent up to now is 110.2 secs Computing kpt #: 36 total cpu time spent up to now is 112.1 secs Computing kpt #: 37 total cpu time spent up to now is 114.2 secs Computing kpt #: 38 total cpu time spent up to now is 116.2 secs Computing kpt #: 39 total cpu time spent up to now is 118.2 secs Computing kpt #: 40 total cpu time spent up to now is 120.2 secs Computing kpt #: 41 total cpu time spent up to now is 122.2 secs Computing kpt #: 42 total cpu time spent up to now is 124.1 secs Computing kpt #: 43 total cpu time spent up to now is 126.1 secs Computing kpt #: 44 total cpu time spent up to now is 128.0 secs Computing kpt #: 45 total cpu time spent up to now is 130.0 secs Computing kpt #: 46 total cpu time spent up to now is 132.0 secs Computing kpt #: 47 total cpu time spent up to now is 133.9 secs Computing kpt #: 48 total cpu time spent up to now is 135.9 secs Computing kpt #: 49 total cpu time spent up to now is 138.0 secs Computing kpt #: 50 total cpu time spent up to now is 140.0 secs Computing kpt #: 51 total cpu time spent up to now is 142.1 secs Computing kpt #: 52 total cpu time spent up to now is 144.2 secs Computing kpt #: 53 total cpu time spent up to now is 146.1 secs Computing kpt #: 54 total cpu time spent up to now is 148.1 secs Computing kpt #: 55 total cpu time spent up to now is 150.1 secs Computing kpt #: 56 total cpu time spent up to now is 152.2 secs Computing kpt #: 57 total cpu time spent up to now is 154.1 secs Computing kpt #: 58 total cpu time spent up to now is 156.1 secs Computing kpt #: 59 total cpu time spent up to now is 158.1 secs Computing kpt #: 60 total cpu time spent up to now is 160.1 secs Computing kpt #: 61 total cpu time spent up to now is 162.0 secs Computing kpt #: 62 total cpu time spent up to now is 164.0 secs Computing kpt #: 63 total cpu time spent up to now is 166.0 secs Computing kpt #: 64 total cpu time spent up to now is 167.9 secs Computing kpt #: 65 total cpu time spent up to now is 169.9 secs Computing kpt #: 66 total cpu time spent up to now is 172.0 secs Computing kpt #: 67 total cpu time spent up to now is 174.0 secs Computing kpt #: 68 total cpu time spent up to now is 176.0 secs Computing kpt #: 69 total cpu time spent up to now is 178.0 secs Computing kpt #: 70 total cpu time spent up to now is 180.0 secs Computing kpt #: 71 total cpu time spent up to now is 182.1 secs Computing kpt #: 72 total cpu time spent up to now is 184.0 secs Computing kpt #: 73 total cpu time spent up to now is 186.0 secs Computing kpt #: 74 total cpu time spent up to now is 188.0 secs Computing kpt #: 75 total cpu time spent up to now is 189.9 secs Computing kpt #: 76 total cpu time spent up to now is 191.9 secs Computing kpt #: 77 total cpu time spent up to now is 193.9 secs Computing kpt #: 78 total cpu time spent up to now is 195.9 secs Computing kpt #: 79 total cpu time spent up to now is 197.9 secs Computing kpt #: 80 total cpu time spent up to now is 199.9 secs Computing kpt #: 81 total cpu time spent up to now is 201.8 secs Computing kpt #: 82 total cpu time spent up to now is 204.4 secs Computing kpt #: 83 total cpu time spent up to now is 206.4 secs Computing kpt #: 84 total cpu time spent up to now is 208.5 secs Computing kpt #: 85 total cpu time spent up to now is 210.7 secs Computing kpt #: 86 total cpu time spent up to now is 212.7 secs Computing kpt #: 87 total cpu time spent up to now is 214.7 secs Computing kpt #: 88 total cpu time spent up to now is 216.7 secs Computing kpt #: 89 total cpu time spent up to now is 218.6 secs Computing kpt #: 90 total cpu time spent up to now is 220.7 secs Computing kpt #: 91 total cpu time spent up to now is 222.7 secs Computing kpt #: 92 total cpu time spent up to now is 224.6 secs Computing kpt #: 93 total cpu time spent up to now is 226.6 secs Computing kpt #: 94 total cpu time spent up to now is 228.6 secs Computing kpt #: 95 total cpu time spent up to now is 230.6 secs Computing kpt #: 96 total cpu time spent up to now is 232.6 secs Computing kpt #: 97 total cpu time spent up to now is 234.6 secs Computing kpt #: 98 total cpu time spent up to now is 236.6 secs Computing kpt #: 99 total cpu time spent up to now is 238.7 secs Computing kpt #: 100 total cpu time spent up to now is 240.8 secs Computing kpt #: 101 total cpu time spent up to now is 242.8 secs Computing kpt #: 102 total cpu time spent up to now is 244.8 secs Computing kpt #: 103 total cpu time spent up to now is 246.7 secs Computing kpt #: 104 total cpu time spent up to now is 248.7 secs Computing kpt #: 105 total cpu time spent up to now is 250.7 secs Computing kpt #: 106 total cpu time spent up to now is 252.8 secs Computing kpt #: 107 total cpu time spent up to now is 254.7 secs Computing kpt #: 108 total cpu time spent up to now is 256.7 secs Computing kpt #: 109 total cpu time spent up to now is 258.6 secs Computing kpt #: 110 total cpu time spent up to now is 260.5 secs Computing kpt #: 111 total cpu time spent up to now is 262.5 secs Computing kpt #: 112 total cpu time spent up to now is 264.4 secs Computing kpt #: 113 total cpu time spent up to now is 266.4 secs Computing kpt #: 114 total cpu time spent up to now is 268.4 secs Computing kpt #: 115 total cpu time spent up to now is 270.5 secs Computing kpt #: 116 total cpu time spent up to now is 272.4 secs Computing kpt #: 117 total cpu time spent up to now is 274.4 secs Computing kpt #: 118 total cpu time spent up to now is 276.3 secs Computing kpt #: 119 total cpu time spent up to now is 278.3 secs Computing kpt #: 120 total cpu time spent up to now is 280.2 secs Computing kpt #: 121 total cpu time spent up to now is 282.1 secs Computing kpt #: 122 total cpu time spent up to now is 284.1 secs Computing kpt #: 123 total cpu time spent up to now is 286.0 secs Computing kpt #: 124 total cpu time spent up to now is 288.0 secs Computing kpt #: 125 total cpu time spent up to now is 289.9 secs Computing kpt #: 126 total cpu time spent up to now is 291.8 secs Computing kpt #: 127 total cpu time spent up to now is 293.7 secs Computing kpt #: 128 total cpu time spent up to now is 295.7 secs Computing kpt #: 129 total cpu time spent up to now is 297.6 secs Computing kpt #: 130 total cpu time spent up to now is 299.6 secs Computing kpt #: 131 total cpu time spent up to now is 301.6 secs Computing kpt #: 132 total cpu time spent up to now is 303.6 secs Computing kpt #: 133 total cpu time spent up to now is 305.6 secs Computing kpt #: 134 total cpu time spent up to now is 307.6 secs Computing kpt #: 135 total cpu time spent up to now is 309.6 secs Computing kpt #: 136 total cpu time spent up to now is 311.6 secs Computing kpt #: 137 total cpu time spent up to now is 313.9 secs Computing kpt #: 138 total cpu time spent up to now is 315.8 secs Computing kpt #: 139 total cpu time spent up to now is 317.8 secs Computing kpt #: 140 total cpu time spent up to now is 320.0 secs Computing kpt #: 141 total cpu time spent up to now is 322.0 secs Computing kpt #: 142 total cpu time spent up to now is 324.0 secs Computing kpt #: 143 total cpu time spent up to now is 326.0 secs Computing kpt #: 144 total cpu time spent up to now is 328.0 secs Computing kpt #: 145 total cpu time spent up to now is 330.0 secs Computing kpt #: 146 total cpu time spent up to now is 331.9 secs Computing kpt #: 147 total cpu time spent up to now is 334.0 secs Computing kpt #: 148 total cpu time spent up to now is 336.0 secs Computing kpt #: 149 total cpu time spent up to now is 337.9 secs Computing kpt #: 150 total cpu time spent up to now is 339.9 secs Computing kpt #: 151 total cpu time spent up to now is 342.0 secs Computing kpt #: 152 total cpu time spent up to now is 343.9 secs Computing kpt #: 153 total cpu time spent up to now is 345.9 secs Computing kpt #: 154 total cpu time spent up to now is 347.9 secs Computing kpt #: 155 total cpu time spent up to now is 349.9 secs Computing kpt #: 156 total cpu time spent up to now is 351.9 secs Computing kpt #: 157 total cpu time spent up to now is 354.0 secs Computing kpt #: 158 total cpu time spent up to now is 356.0 secs Computing kpt #: 159 total cpu time spent up to now is 357.9 secs Computing kpt #: 160 total cpu time spent up to now is 359.9 secs Computing kpt #: 161 total cpu time spent up to now is 361.9 secs Computing kpt #: 162 total cpu time spent up to now is 363.9 secs Computing kpt #: 163 total cpu time spent up to now is 365.9 secs Computing kpt #: 164 total cpu time spent up to now is 367.9 secs Computing kpt #: 165 total cpu time spent up to now is 370.0 secs Computing kpt #: 166 total cpu time spent up to now is 372.0 secs Computing kpt #: 167 total cpu time spent up to now is 374.0 secs Computing kpt #: 168 total cpu time spent up to now is 376.0 secs Computing kpt #: 169 total cpu time spent up to now is 378.0 secs Computing kpt #: 170 total cpu time spent up to now is 380.1 secs Computing kpt #: 171 total cpu time spent up to now is 382.1 secs Computing kpt #: 172 total cpu time spent up to now is 384.1 secs Computing kpt #: 173 total cpu time spent up to now is 386.1 secs Computing kpt #: 174 total cpu time spent up to now is 388.1 secs Computing kpt #: 175 total cpu time spent up to now is 390.2 secs Computing kpt #: 176 total cpu time spent up to now is 392.2 secs Computing kpt #: 177 total cpu time spent up to now is 394.2 secs Computing kpt #: 178 total cpu time spent up to now is 396.3 secs Computing kpt #: 179 total cpu time spent up to now is 398.4 secs Computing kpt #: 180 total cpu time spent up to now is 401.1 secs Computing kpt #: 181 total cpu time spent up to now is 403.4 secs Computing kpt #: 182 total cpu time spent up to now is 405.4 secs Computing kpt #: 183 total cpu time spent up to now is 407.5 secs Computing kpt #: 184 total cpu time spent up to now is 409.5 secs Computing kpt #: 185 total cpu time spent up to now is 411.5 secs Computing kpt #: 186 total cpu time spent up to now is 413.5 secs Computing kpt #: 187 total cpu time spent up to now is 415.6 secs Computing kpt #: 188 total cpu time spent up to now is 417.5 secs Computing kpt #: 189 total cpu time spent up to now is 419.5 secs Computing kpt #: 190 total cpu time spent up to now is 421.4 secs Computing kpt #: 191 total cpu time spent up to now is 423.5 secs Computing kpt #: 192 total cpu time spent up to now is 425.5 secs Computing kpt #: 193 total cpu time spent up to now is 427.4 secs Computing kpt #: 194 total cpu time spent up to now is 429.6 secs Computing kpt #: 195 total cpu time spent up to now is 431.6 secs Computing kpt #: 196 total cpu time spent up to now is 433.6 secs Computing kpt #: 197 total cpu time spent up to now is 435.6 secs Computing kpt #: 198 total cpu time spent up to now is 437.6 secs Computing kpt #: 199 total cpu time spent up to now is 439.6 secs Computing kpt #: 200 total cpu time spent up to now is 441.6 secs Computing kpt #: 201 total cpu time spent up to now is 443.6 secs Computing kpt #: 202 total cpu time spent up to now is 445.6 secs Computing kpt #: 203 total cpu time spent up to now is 447.6 secs Computing kpt #: 204 total cpu time spent up to now is 449.7 secs Computing kpt #: 205 total cpu time spent up to now is 451.7 secs Computing kpt #: 206 total cpu time spent up to now is 453.6 secs Computing kpt #: 207 total cpu time spent up to now is 455.5 secs Computing kpt #: 208 total cpu time spent up to now is 457.5 secs Computing kpt #: 209 total cpu time spent up to now is 459.4 secs Computing kpt #: 210 total cpu time spent up to now is 461.4 secs Computing kpt #: 211 total cpu time spent up to now is 463.4 secs Computing kpt #: 212 total cpu time spent up to now is 465.3 secs Computing kpt #: 213 total cpu time spent up to now is 467.2 secs Computing kpt #: 214 total cpu time spent up to now is 469.2 secs Computing kpt #: 215 total cpu time spent up to now is 471.3 secs Computing kpt #: 216 total cpu time spent up to now is 473.2 secs Computing kpt #: 217 total cpu time spent up to now is 475.1 secs Computing kpt #: 218 total cpu time spent up to now is 477.0 secs Computing kpt #: 219 total cpu time spent up to now is 478.9 secs Computing kpt #: 220 total cpu time spent up to now is 480.9 secs Computing kpt #: 221 total cpu time spent up to now is 482.8 secs Computing kpt #: 222 total cpu time spent up to now is 484.7 secs Computing kpt #: 223 total cpu time spent up to now is 486.7 secs Computing kpt #: 224 total cpu time spent up to now is 488.6 secs Computing kpt #: 225 total cpu time spent up to now is 490.5 secs Computing kpt #: 226 total cpu time spent up to now is 492.4 secs Computing kpt #: 227 total cpu time spent up to now is 494.3 secs Computing kpt #: 228 total cpu time spent up to now is 496.3 secs Computing kpt #: 229 total cpu time spent up to now is 498.2 secs Computing kpt #: 230 total cpu time spent up to now is 500.2 secs Computing kpt #: 231 total cpu time spent up to now is 502.2 secs Computing kpt #: 232 total cpu time spent up to now is 504.2 secs Computing kpt #: 233 total cpu time spent up to now is 506.1 secs Computing kpt #: 234 total cpu time spent up to now is 508.0 secs Computing kpt #: 235 total cpu time spent up to now is 510.0 secs Computing kpt #: 236 total cpu time spent up to now is 511.9 secs Computing kpt #: 237 total cpu time spent up to now is 513.9 secs Computing kpt #: 238 total cpu time spent up to now is 515.8 secs Computing kpt #: 239 total cpu time spent up to now is 517.7 secs Computing kpt #: 240 total cpu time spent up to now is 519.6 secs Computing kpt #: 241 total cpu time spent up to now is 521.5 secs Computing kpt #: 242 total cpu time spent up to now is 523.5 secs Computing kpt #: 243 total cpu time spent up to now is 525.3 secs Computing kpt #: 244 total cpu time spent up to now is 527.3 secs Computing kpt #: 245 total cpu time spent up to now is 529.2 secs Computing kpt #: 246 total cpu time spent up to now is 531.0 secs Computing kpt #: 247 total cpu time spent up to now is 533.0 secs Computing kpt #: 248 total cpu time spent up to now is 535.0 secs Computing kpt #: 249 total cpu time spent up to now is 536.8 secs Computing kpt #: 250 total cpu time spent up to now is 538.8 secs Computing kpt #: 251 total cpu time spent up to now is 540.7 secs Computing kpt #: 252 total cpu time spent up to now is 542.5 secs Computing kpt #: 253 total cpu time spent up to now is 544.4 secs Computing kpt #: 254 total cpu time spent up to now is 546.4 secs Computing kpt #: 255 total cpu time spent up to now is 548.4 secs Computing kpt #: 256 total cpu time spent up to now is 550.3 secs Computing kpt #: 257 total cpu time spent up to now is 552.2 secs Computing kpt #: 258 total cpu time spent up to now is 554.1 secs Computing kpt #: 259 total cpu time spent up to now is 556.0 secs Computing kpt #: 260 total cpu time spent up to now is 557.9 secs Computing kpt #: 261 total cpu time spent up to now is 559.8 secs Computing kpt #: 262 total cpu time spent up to now is 561.7 secs Computing kpt #: 263 total cpu time spent up to now is 563.7 secs Computing kpt #: 264 total cpu time spent up to now is 565.6 secs Computing kpt #: 265 total cpu time spent up to now is 567.5 secs Computing kpt #: 266 total cpu time spent up to now is 569.4 secs Computing kpt #: 267 total cpu time spent up to now is 571.4 secs Computing kpt #: 268 total cpu time spent up to now is 573.4 secs Computing kpt #: 269 total cpu time spent up to now is 575.3 secs Computing kpt #: 270 total cpu time spent up to now is 577.2 secs Computing kpt #: 271 total cpu time spent up to now is 579.2 secs Computing kpt #: 272 total cpu time spent up to now is 581.1 secs Computing kpt #: 273 total cpu time spent up to now is 583.0 secs Computing kpt #: 274 total cpu time spent up to now is 584.9 secs Computing kpt #: 275 total cpu time spent up to now is 586.8 secs Computing kpt #: 276 total cpu time spent up to now is 588.9 secs Computing kpt #: 277 total cpu time spent up to now is 590.9 secs Computing kpt #: 278 total cpu time spent up to now is 592.8 secs Computing kpt #: 279 total cpu time spent up to now is 594.8 secs Computing kpt #: 280 total cpu time spent up to now is 596.7 secs Computing kpt #: 281 total cpu time spent up to now is 598.6 secs Computing kpt #: 282 total cpu time spent up to now is 600.6 secs Computing kpt #: 283 total cpu time spent up to now is 602.5 secs Computing kpt #: 284 total cpu time spent up to now is 604.4 secs Computing kpt #: 285 total cpu time spent up to now is 606.4 secs Computing kpt #: 286 total cpu time spent up to now is 608.2 secs Computing kpt #: 287 total cpu time spent up to now is 610.2 secs Computing kpt #: 288 total cpu time spent up to now is 612.2 secs Computing kpt #: 289 total cpu time spent up to now is 614.1 secs ethr = 2.08E-11, avg # of iterations = 18.6 total cpu time spent up to now is 614.3 secs End of band structure calculation k = 0.0000-0.3468-0.0001 ( 6268 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5462 -11.5462 -10.9787 -10.9787 -10.6378 -10.6378 -10.4883 -10.4883 -10.2560 -10.2560 -1.7265 -1.7265 -1.3916 -1.3916 -1.0157 -1.0157 -0.8178 -0.8178 -0.6177 -0.6177 -0.2758 -0.2758 0.4913 0.4913 1.2056 1.2056 1.6087 1.6087 1.8640 1.8640 2.0391 2.0391 2.2770 2.2770 2.3393 2.3393 2.5776 2.5776 2.6357 2.6357 4.2105 4.2105 5.9289 5.9289 6.1895 6.1895 7.7804 7.7804 8.0737 8.0737 k = 0.0000-0.3340-0.0001 ( 6274 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5479 -11.5462 -10.9797 -10.9761 -10.6393 -10.6358 -10.4903 -10.4860 -10.2570 -10.2551 -1.7279 -1.7262 -1.3940 -1.3892 -1.0161 -1.0154 -0.8249 -0.8123 -0.6240 -0.6142 -0.2762 -0.2728 0.4896 0.4933 1.2057 1.2069 1.6071 1.6131 1.8601 1.8679 2.0382 2.0413 2.2745 2.2789 2.3367 2.3424 2.5765 2.5784 2.6348 2.6361 4.2084 4.2113 5.9266 5.9311 6.1874 6.1916 7.7793 7.7814 8.0729 8.0748 k = 0.0000-0.3212-0.0001 ( 6271 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5513 -11.5478 -10.9791 -10.9721 -10.6403 -10.6333 -10.4920 -10.4835 -10.2583 -10.2545 -1.7305 -1.7272 -1.3965 -1.3870 -1.0168 -1.0153 -0.8336 -0.8086 -0.6329 -0.6135 -0.2740 -0.2673 0.4882 0.4955 1.2073 1.2097 1.6082 1.6201 1.8563 1.8717 2.0385 2.0445 2.2715 2.2801 2.3348 2.3459 2.5751 2.5789 2.6334 2.6361 4.2049 4.2107 5.9242 5.9333 6.1854 6.1936 7.7781 7.7824 8.0722 8.0761 k = 0.0000-0.3083-0.0001 ( 6270 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5562 -11.5511 -10.9770 -10.9667 -10.6409 -10.6304 -10.4933 -10.4807 -10.2598 -10.2541 -1.7342 -1.7294 -1.3991 -1.3850 -1.0177 -1.0153 -0.8438 -0.8066 -0.6440 -0.6154 -0.2690 -0.2594 0.4869 0.4974 1.2102 1.2138 1.6119 1.6297 1.8530 1.8756 2.0400 2.0487 2.2682 2.2803 2.3339 2.3499 2.5733 2.5789 2.6319 2.6358 4.2000 4.2087 5.9219 5.9353 6.1835 6.1957 7.7768 7.7832 8.0717 8.0774 k = 0.0000-0.2955-0.0001 ( 6262 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5625 -11.5560 -10.9735 -10.9602 -10.6411 -10.6272 -10.4943 -10.4776 -10.2615 -10.2540 -1.7390 -1.7329 -1.4017 -1.3831 -1.0189 -1.0154 -0.8553 -0.8066 -0.6565 -0.6194 -0.2615 -0.2494 0.4853 0.4986 1.2145 1.2193 1.6183 1.6416 1.8507 1.8798 2.0425 2.0537 2.2646 2.2794 2.3341 2.3543 2.5710 2.5782 2.6302 2.6352 4.1938 4.2053 5.9196 5.9373 6.1816 6.1977 7.7755 7.7839 8.0714 8.0789 k = 0.0000-0.2826-0.0001 ( 6256 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5700 -11.5623 -10.9686 -10.9526 -10.6408 -10.6236 -10.4947 -10.4743 -10.2634 -10.2540 -1.7450 -1.7376 -1.4045 -1.3817 -1.0204 -1.0155 -0.8680 -0.8089 -0.6695 -0.6250 -0.2515 -0.2372 0.4829 0.4985 1.2200 1.2260 1.6271 1.6557 1.8500 1.8848 2.0457 2.0594 2.2607 2.2773 2.3355 2.3591 2.5680 2.5764 2.6286 2.6346 4.1863 4.2006 5.9175 5.9391 6.1800 6.1996 7.7742 7.7844 8.0712 8.0805 k = 0.0000-0.2698-0.0001 ( 6256 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5786 -11.5698 -10.9627 -10.9442 -10.6402 -10.6198 -10.4947 -10.4709 -10.2655 -10.2542 -1.7520 -1.7436 -1.4074 -1.3806 -1.0222 -1.0156 -0.8814 -0.8136 -0.6819 -0.6316 -0.2392 -0.2232 0.4792 0.4966 1.2267 1.2337 1.6380 1.6712 1.8516 1.8909 2.0495 2.0655 2.2565 2.2740 2.3382 2.3644 2.5638 2.5733 2.6273 2.6343 4.1776 4.1945 5.9155 5.9408 6.1786 6.2014 7.7727 7.7847 8.0712 8.0821 k = 0.0000-0.2569-0.0001 ( 6258 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5879 -11.5784 -10.9557 -10.9352 -10.6393 -10.6160 -10.4940 -10.4672 -10.2677 -10.2546 -1.7601 -1.7509 -1.4105 -1.3802 -1.0244 -1.0155 -0.8952 -0.8210 -0.6930 -0.6387 -0.2248 -0.2075 0.4738 0.4923 1.2345 1.2424 1.6507 1.6872 1.8567 1.8986 2.0536 2.0720 2.2522 2.2697 2.3421 2.3702 2.5584 2.5688 2.6262 2.6345 4.1676 4.1871 5.9136 5.9424 6.1774 6.2032 7.7712 7.7848 8.0712 8.0836 k = 0.0000-0.2441-0.0001 ( 6259 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5979 -11.5879 -10.9479 -10.9258 -10.6382 -10.6122 -10.4927 -10.4633 -10.2701 -10.2551 -1.7692 -1.7594 -1.4140 -1.3806 -1.0270 -1.0153 -0.9086 -0.8309 -0.7021 -0.6458 -0.2087 -0.1902 0.4662 0.4854 1.2432 1.2518 1.6645 1.7026 1.8661 1.9083 2.0579 2.0787 2.2478 2.2646 2.3471 2.3768 2.5515 2.5630 2.6253 2.6352 4.1565 4.1783 5.9121 5.9439 6.1765 6.2049 7.7696 7.7845 8.0713 8.0851 k = 0.0000-0.2312-0.0001 ( 6264 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6083 -11.5979 -10.9396 -10.9161 -10.6368 -10.6087 -10.4906 -10.4592 -10.2725 -10.2557 -1.7792 -1.7690 -1.4179 -1.3821 -1.0299 -1.0149 -0.9213 -0.8428 -0.7090 -0.6526 -0.1912 -0.1717 0.4563 0.4758 1.2528 1.2619 1.6789 1.7162 1.8808 1.9202 2.0624 2.0857 2.2433 2.2589 2.3533 2.3842 2.5432 2.5557 2.6246 2.6365 4.1443 4.1683 5.9108 5.9453 6.1759 6.2066 7.7679 7.7839 8.0714 8.0863 k = 0.0000-0.2184-0.0001 ( 6261 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6190 -11.6085 -10.9307 -10.9063 -10.6354 -10.6054 -10.4878 -10.4550 -10.2750 -10.2564 -1.7901 -1.7797 -1.4224 -1.3847 -1.0329 -1.0141 -0.9326 -0.8557 -0.7139 -0.6589 -0.1725 -0.1521 0.4440 0.4635 1.2631 1.2724 1.6932 1.7274 1.9006 1.9343 2.0671 2.0931 2.2390 2.2529 2.3604 2.3924 2.5336 2.5472 2.6240 2.6380 4.1312 4.1572 5.9098 5.9465 6.1756 6.2082 7.7662 7.7831 8.0714 8.0873 k = 0.0000-0.2055-0.0001 ( 6261 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6298 -11.6193 -10.9217 -10.8966 -10.6339 -10.6027 -10.4842 -10.4505 -10.2775 -10.2572 -1.8017 -1.7913 -1.4275 -1.3888 -1.0360 -1.0130 -0.9422 -0.8690 -0.7172 -0.6645 -0.1531 -0.1319 0.4295 0.4486 1.2740 1.2833 1.7069 1.7362 1.9246 1.9501 2.0720 2.1012 2.2351 2.2467 2.3684 2.4016 2.5228 2.5377 2.6234 2.6399 4.1171 4.1448 5.9093 5.9477 6.1758 6.2097 7.7643 7.7818 8.0712 8.0880 k = 0.0000-0.1927-0.0001 ( 6261 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6406 -11.6302 -10.9124 -10.8870 -10.6324 -10.6004 -10.4798 -10.4460 -10.2800 -10.2580 -1.8140 -1.8038 -1.4333 -1.3944 -1.0386 -1.0113 -0.9500 -0.8817 -0.7192 -0.6694 -0.1331 -0.1113 0.4128 0.4315 1.2853 1.2943 1.7197 1.7433 1.9506 1.9666 2.0777 2.1103 2.2319 2.2409 2.3773 2.4118 2.5110 2.5272 2.6229 2.6418 4.1023 4.1315 5.9092 5.9488 6.1763 6.2111 7.7623 7.7803 8.0710 8.0882 k = 0.0000-0.1798-0.0001 ( 6258 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6512 -11.6410 -10.9032 -10.8777 -10.6309 -10.5987 -10.4749 -10.4414 -10.2823 -10.2589 -1.8267 -1.8169 -1.4398 -1.4014 -1.0405 -1.0092 -0.9560 -0.8933 -0.7202 -0.6733 -0.1131 -0.0907 0.3944 0.4126 1.2969 1.3055 1.7315 1.7495 1.9756 1.9828 2.0847 2.1211 2.2299 2.2358 2.3868 2.4229 2.4986 2.5162 2.6224 2.6440 4.0868 4.1171 5.9095 5.9498 6.1772 6.2125 7.7602 7.7783 8.0705 8.0881 k = 0.0000-0.1670-0.0001 ( 6264 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6614 -11.6517 -10.8940 -10.8688 -10.6295 -10.5976 -10.4694 -10.4367 -10.2845 -10.2598 -1.8399 -1.8304 -1.4468 -1.4098 -1.0416 -1.0068 -0.9604 -0.9034 -0.7204 -0.6764 -0.0934 -0.0705 0.3748 0.3925 1.3086 1.3167 1.7422 1.7555 1.9933 2.0003 2.0938 2.1341 2.2297 2.2320 2.3965 2.4344 2.4860 2.5053 2.6219 2.6463 4.0708 4.1019 5.9102 5.9507 6.1785 6.2138 7.7580 7.7761 8.0697 8.0875 k = 0.0000-0.1542-0.0001 ( 6272 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6713 -11.6620 -10.8850 -10.8603 -10.6282 -10.5971 -10.4637 -10.4320 -10.2865 -10.2607 -1.8532 -1.8443 -1.4544 -1.4193 -1.0416 -1.0042 -0.9632 -0.9117 -0.7198 -0.6785 -0.0744 -0.0511 0.3544 0.3716 1.3202 1.3277 1.7517 1.7621 2.0031 2.0157 2.1056 2.1494 2.2298 2.2325 2.4057 2.4444 2.4741 2.4963 2.6216 2.6489 4.0545 4.0860 5.9114 5.9515 6.1801 6.2149 7.7558 7.7736 8.0688 8.0864 k = 0.0000-0.1413-0.0001 ( 6280 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6807 -11.6719 -10.8763 -10.8523 -10.6270 -10.5970 -10.4578 -10.4275 -10.2881 -10.2616 -1.8664 -1.8582 -1.4622 -1.4296 -1.0406 -1.0017 -0.9646 -0.9180 -0.7186 -0.6798 -0.0566 -0.0330 0.3340 0.3507 1.3317 1.3385 1.7601 1.7698 2.0079 2.0246 2.1190 2.1652 2.2311 2.2385 2.4129 2.4480 2.4644 2.4942 2.6218 2.6522 4.0381 4.0696 5.9130 5.9522 6.1821 6.2160 7.7535 7.7708 8.0675 8.0847 k = 0.0000-0.1285-0.0000 ( 6281 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6894 -11.6813 -10.8680 -10.8449 -10.6259 -10.5974 -10.4519 -10.4231 -10.2894 -10.2625 -1.8795 -1.8719 -1.4702 -1.4403 -1.0388 -0.9997 -0.9647 -0.9222 -0.7167 -0.6802 -0.0404 -0.0167 0.3141 0.3303 1.3427 1.3488 1.7679 1.7787 2.0086 2.0275 2.1323 2.1792 2.2360 2.2488 2.4144 2.4436 2.4585 2.5022 2.6228 2.6563 4.0218 4.0529 5.9150 5.9527 6.1843 6.2169 7.7513 7.7678 8.0661 8.0827 k = 0.0000-0.1156-0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6975 -11.6901 -10.8600 -10.8382 -10.6248 -10.5982 -10.4462 -10.4191 -10.2902 -10.2635 -1.8921 -1.8852 -1.4780 -1.4511 -1.0365 -0.9987 -0.9634 -0.9246 -0.7141 -0.6798 -0.0263 -0.0029 0.2957 0.3113 1.3532 1.3585 1.7756 1.7882 2.0057 2.0259 2.1442 2.1897 2.2443 2.2629 2.4081 2.4341 2.4601 2.5148 2.6256 2.6616 4.0058 4.0360 5.9174 5.9531 6.1869 6.2177 7.7492 7.7647 8.0644 8.0802 k = 0.0000-0.1028-0.0000 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7049 -11.6982 -10.8525 -10.8322 -10.6238 -10.5992 -10.4408 -10.4155 -10.2905 -10.2645 -1.9041 -1.8979 -1.4854 -1.4616 -1.0339 -0.9987 -0.9607 -0.9253 -0.7109 -0.6789 -0.0147 0.0081 0.2794 0.2943 1.3629 1.3676 1.7838 1.7983 2.0000 2.0209 2.1546 2.1976 2.2543 2.2788 2.3977 2.4221 2.4669 2.5273 2.6310 2.6683 3.9905 4.0192 5.9201 5.9532 6.1896 6.2182 7.7472 7.7616 8.0627 8.0773 k = 0.0000-0.0899-0.0000 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7114 -11.7055 -10.8455 -10.8270 -10.6229 -10.6006 -10.4356 -10.4125 -10.2903 -10.2656 -1.9152 -1.9098 -1.4922 -1.4716 -1.0312 -0.9997 -0.9569 -0.9249 -0.7070 -0.6776 -0.0058 0.0157 0.2659 0.2797 1.3719 1.3758 1.7927 1.8087 1.9922 2.0133 2.1640 2.2044 2.2642 2.2936 2.3866 2.4101 2.4750 2.5366 2.6401 2.6764 3.9762 4.0029 5.9231 5.9532 6.1925 6.2185 7.7454 7.7584 8.0609 8.0743 k = 0.0000-0.0771-0.0000 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7172 -11.7120 -10.8391 -10.8225 -10.6219 -10.6022 -10.4308 -10.4102 -10.2895 -10.2669 -1.9252 -1.9206 -1.4983 -1.4808 -1.0286 -1.0013 -0.9524 -0.9239 -0.7026 -0.6760 0.0002 0.0199 0.2557 0.2681 1.3799 1.3831 1.8023 1.8194 1.9828 2.0039 2.1729 2.2112 2.2720 2.3049 2.3771 2.3995 2.4829 2.5418 2.6527 2.6855 3.9631 3.9874 5.9262 5.9529 6.1955 6.2185 7.7438 7.7553 8.0592 8.0711 k = 0.0000-0.0642-0.0000 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7220 -11.7177 -10.8332 -10.8190 -10.6208 -10.6040 -10.4265 -10.4085 -10.2882 -10.2682 -1.9340 -1.9301 -1.5035 -1.4890 -1.0262 -1.0034 -0.9474 -0.9228 -0.6977 -0.6745 0.0036 0.0208 0.2487 0.2593 1.3868 1.3894 1.8126 1.8302 1.9724 1.9931 2.1820 2.2184 2.2763 2.3108 2.3706 2.3915 2.4901 2.5431 2.6675 2.6952 3.9517 3.9729 5.9294 5.9523 6.1985 6.2183 7.7425 7.7523 8.0577 8.0679 k = 0.0000-0.0514-0.0000 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7259 -11.7224 -10.8281 -10.8163 -10.6196 -10.6058 -10.4225 -10.4076 -10.2866 -10.2698 -1.9413 -1.9383 -1.5076 -1.4962 -1.0238 -1.0057 -0.9424 -0.9220 -0.6927 -0.6733 0.0050 0.0192 0.2446 0.2532 1.3926 1.3945 1.8233 1.8408 1.9619 1.9815 2.1914 2.2258 2.2763 2.3104 2.3682 2.3868 2.4968 2.5414 2.6826 2.7046 3.9423 3.9599 5.9327 5.9514 6.2015 6.2177 7.7416 7.7496 8.0565 8.0648 k = 0.0000-0.0385-0.0000 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7289 -11.7263 -10.8236 -10.8146 -10.6183 -10.6078 -10.4189 -10.4075 -10.2846 -10.2715 -1.9471 -1.9448 -1.5106 -1.5021 -1.0215 -1.0080 -0.9375 -0.9217 -0.6877 -0.6726 0.0053 0.0161 0.2427 0.2491 1.3972 1.3986 1.8342 1.8505 1.9520 1.9697 2.2011 2.2331 2.2729 2.3049 2.3692 2.3847 2.5030 2.5379 2.6965 2.7126 3.9351 3.9488 5.9358 5.9501 6.2044 6.2168 7.7411 7.7472 8.0557 8.0620 k = 0.0000-0.0257-0.0000 ( 6285 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7309 -11.7292 -10.8200 -10.8138 -10.6169 -10.6097 -10.4158 -10.4080 -10.2824 -10.2734 -1.9512 -1.9497 -1.5124 -1.5068 -1.0193 -1.0104 -0.9330 -0.9223 -0.6831 -0.6728 0.0052 0.0124 0.2423 0.2465 1.4005 1.4014 1.8447 1.8580 1.9442 1.9584 2.2112 2.2383 2.2692 2.2963 2.3723 2.3836 2.5092 2.5330 2.7079 2.7184 3.9305 3.9399 5.9389 5.9485 6.2071 6.2155 7.7410 7.7451 8.0554 8.0596 k = 0.0000-0.0128-0.0000 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7311 -10.8171 -10.8140 -10.6153 -10.6117 -10.4131 -10.4091 -10.2801 -10.2755 -1.9536 -1.9528 -1.5130 -1.5102 -1.0172 -1.0127 -0.9291 -0.9237 -0.6791 -0.6739 0.0055 0.0092 0.2427 0.2448 1.4026 1.4031 1.8539 1.8617 1.9404 1.9486 2.2214 2.2376 2.2703 2.2865 2.3760 2.3820 2.5153 2.5274 2.7161 2.7213 3.9287 3.9334 5.9417 5.9466 6.2096 6.2138 7.7413 7.7434 8.0556 8.0577 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k = 0.0114 0.0039 0.0039 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9508 -36.5863 -36.5863 -11.7319 -11.7311 -10.8160 -10.8143 -10.6166 -10.6096 -10.4133 -10.4079 -10.2783 -10.2770 -1.9539 -1.9537 -1.5134 -1.5105 -1.0193 -1.0140 -0.9296 -0.9248 -0.6777 -0.6769 0.0053 0.0099 0.2416 0.2473 1.3892 1.3976 1.8607 1.8640 1.9410 1.9445 2.2238 2.2370 2.2710 2.2835 2.3779 2.3835 2.5191 2.5242 2.7200 2.7209 3.9289 3.9312 5.9389 5.9515 6.2087 6.2167 7.7410 7.7434 8.0539 8.0667 k = 0.0227 0.0079 0.0078 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7308 -11.7291 -10.8170 -10.8135 -10.6189 -10.6049 -10.4152 -10.4045 -10.2786 -10.2761 -1.9532 -1.9526 -1.5141 -1.5083 -1.0271 -1.0165 -0.9356 -0.9260 -0.6822 -0.6805 0.0054 0.0145 0.2412 0.2527 1.3561 1.3723 1.8644 1.8712 1.9414 1.9485 2.2165 2.2414 2.2663 2.2895 2.3788 2.3897 2.5172 2.5275 2.7193 2.7211 3.9291 3.9336 5.9354 5.9606 6.2072 6.2230 7.7399 7.7447 8.0595 8.0847 k = 0.0341 0.0118 0.0117 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9510 -36.9509 -36.5863 -36.5863 -11.7287 -11.7261 -10.8180 -10.8128 -10.6203 -10.5994 -10.4167 -10.4007 -10.2788 -10.2749 -1.9518 -1.9509 -1.5144 -1.5055 -1.0383 -1.0222 -0.9441 -0.9294 -0.6891 -0.6867 0.0068 0.0205 0.2423 0.2597 1.3067 1.3301 1.8694 1.8795 1.9437 1.9544 2.2090 2.2421 2.2649 2.2951 2.3816 2.3976 2.5157 2.5314 2.7183 2.7211 3.9302 3.9368 5.9339 5.9715 6.2074 6.2308 7.7390 7.7461 8.0730 8.1100 k = 0.0455 0.0157 0.0156 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9510 -36.9510 -36.5863 -36.5863 -11.7255 -11.7220 -10.8190 -10.8123 -10.6210 -10.5933 -10.4175 -10.3964 -10.2787 -10.2735 -1.9498 -1.9487 -1.5143 -1.5022 -1.0529 -1.0310 -0.9551 -0.9349 -0.6983 -0.6952 0.0096 0.0279 0.2449 0.2681 1.2439 1.2738 1.8736 1.8864 1.9485 1.9621 2.2013 2.2384 2.2674 2.3001 2.3857 2.4065 2.5145 2.5359 2.7171 2.7209 3.9322 3.9408 5.9345 5.9842 6.2095 6.2403 7.7383 7.7475 8.0943 8.1423 k = 0.0568 0.0197 0.0195 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9512 -36.9511 -36.5863 -36.5863 -11.7213 -11.7170 -10.8200 -10.8119 -10.6209 -10.5865 -10.4176 -10.3918 -10.2783 -10.2719 -1.9473 -1.9459 -1.5140 -1.4984 -1.0704 -1.0428 -0.9684 -0.9425 -0.7094 -0.7056 0.0134 0.0363 0.2487 0.2779 1.1704 1.2061 1.8761 1.8906 1.9557 1.9711 2.1933 2.2324 2.2719 2.3046 2.3903 2.4158 2.5137 2.5410 2.7156 2.7205 3.9351 3.9455 5.9374 5.9986 6.2137 6.2516 7.7376 7.7488 8.1231 8.1811 k = 0.0682 0.0236 0.0234 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9513 -36.9512 -36.5863 -36.5863 -11.7162 -11.7111 -10.8211 -10.8116 -10.6201 -10.5792 -10.4169 -10.3867 -10.2777 -10.2700 -1.9442 -1.9425 -1.5135 -1.4943 -1.0909 -1.0574 -0.9840 -0.9521 -0.7223 -0.7176 0.0180 0.0455 0.2535 0.2888 1.0881 1.1291 1.8766 1.8919 1.9643 1.9803 2.1849 2.2255 2.2771 2.3086 2.3947 2.4245 2.5135 2.5465 2.7137 2.7200 3.9390 3.9510 5.9427 6.0149 6.2201 6.2646 7.7369 7.7501 8.1589 8.2257 k = 0.0795 0.0275 0.0273 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9514 -36.9514 -36.5863 -36.5863 -11.7100 -11.7042 -10.8221 -10.8115 -10.6187 -10.5715 -10.4154 -10.3813 -10.2768 -10.2677 -1.9407 -1.9387 -1.5131 -1.4898 -1.1138 -1.0746 -1.0018 -0.9636 -0.7365 -0.7307 0.0231 0.0553 0.2590 0.3006 0.9991 1.0448 1.8753 1.8909 1.9733 1.9889 2.1763 2.2181 2.2825 2.3123 2.3985 2.4321 2.5140 2.5522 2.7116 2.7193 3.9437 3.9571 5.9505 6.0331 6.2290 6.2796 7.7363 7.7513 8.2014 8.2757 k = 0.0909 0.0314 0.0312 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9516 -36.9515 -36.5862 -36.5862 -11.7030 -11.6964 -10.8231 -10.8115 -10.6168 -10.5637 -10.4130 -10.3756 -10.2755 -10.2649 -1.9367 -1.9344 -1.5128 -1.4851 -1.1389 -1.0940 -1.0215 -0.9769 -0.7517 -0.7446 0.0282 0.0650 0.2650 0.3131 0.9049 0.9547 1.8725 1.8882 1.9814 1.9959 2.1673 2.2104 2.2879 2.3157 2.4015 2.4380 2.5153 2.5578 2.7091 2.7186 3.9493 3.9638 5.9610 6.0531 6.2404 6.2966 7.7357 7.7525 8.2498 8.3304 k = 0.1023 0.0354 0.0351 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9518 -36.9517 -36.5862 -36.5862 -11.6951 -11.6877 -10.8241 -10.8116 -10.6143 -10.5559 -10.4094 -10.3696 -10.2738 -10.2615 -1.9323 -1.9297 -1.5130 -1.4803 -1.1658 -1.1154 -1.0430 -0.9920 -0.7674 -0.7588 0.0327 0.0743 0.2711 0.3261 0.8072 0.8603 1.8683 1.8840 1.9877 2.0005 2.1583 2.2024 2.2930 2.3189 2.4039 2.4418 2.5175 2.5631 2.7065 2.7179 3.9557 3.9711 5.9742 6.0750 6.2546 6.3157 7.7351 7.7536 8.3036 8.3891 k = 0.1136 0.0393 0.0390 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9520 -36.9519 -36.5862 -36.5862 -11.6863 -11.6782 -10.8251 -10.8119 -10.6114 -10.5484 -10.4047 -10.3634 -10.2717 -10.2574 -1.9277 -1.9247 -1.5139 -1.4756 -1.1940 -1.1385 -1.0658 -1.0088 -0.7831 -0.7732 0.0360 0.0821 0.2770 0.3390 0.7080 0.7633 1.8627 1.8786 1.9916 2.0021 2.1494 2.1944 2.2977 2.3222 2.4057 2.4437 2.5205 2.5678 2.7038 2.7173 3.9630 3.9790 5.9903 6.0987 6.2716 6.3370 7.7345 7.7546 8.3620 8.4512 k = 0.1250 0.0432 0.0429 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9522 -36.9521 -36.5862 -36.5862 -11.6768 -11.6680 -10.8260 -10.8123 -10.6082 -10.5413 -10.3989 -10.3571 -10.2690 -10.2523 -1.9228 -1.9194 -1.5160 -1.4711 -1.2234 -1.1629 -1.0897 -1.0272 -0.7985 -0.7873 0.0369 0.0870 0.2818 0.3515 0.6104 0.6659 1.8559 1.8720 1.9922 2.0002 2.1412 2.1864 2.3016 2.3256 2.4071 2.4437 2.5240 2.5718 2.7013 2.7169 3.9711 3.9874 6.0093 6.1244 6.2915 6.3605 7.7338 7.7556 8.4244 8.5162 k = 0.1364 0.0472 0.0468 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9525 -36.9524 -36.5861 -36.5861 -11.6665 -11.6571 -10.8269 -10.8128 -10.6048 -10.5350 -10.3919 -10.3507 -10.2657 -10.2460 -1.9180 -1.9139 -1.5195 -1.4673 -1.2533 -1.1883 -1.1141 -1.0468 -0.8133 -0.8011 0.0332 0.0865 0.2843 0.3619 0.5197 0.5712 1.8477 1.8641 1.9883 1.9950 2.1339 2.1786 2.3046 2.3295 2.4083 2.4425 2.5279 2.5750 2.6991 2.7168 3.9799 3.9962 6.0313 6.1518 6.3144 6.3863 7.7331 7.7566 8.4901 8.5834 k = 0.1477 0.0511 0.0507 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9527 -36.9526 -36.5861 -36.5861 -11.6554 -11.6455 -10.8279 -10.8135 -10.6013 -10.5294 -10.3842 -10.3442 -10.2615 -10.2383 -1.9132 -1.9084 -1.5250 -1.4643 -1.2836 -1.2145 -1.1386 -1.0673 -0.8273 -0.8142 0.0210 0.0757 0.2814 0.3645 0.4476 0.4859 1.8380 1.8548 1.9786 1.9869 2.1278 2.1710 2.3066 2.3339 2.4093 2.4406 2.5317 2.5773 2.6974 2.7170 3.9895 4.0056 6.0562 6.1811 6.3403 6.4142 7.7324 7.7576 8.5583 8.6523 k = 0.1591 0.0550 0.0546 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9530 -36.9529 -36.5860 -36.5860 -11.6438 -11.6333 -10.8288 -10.8142 -10.5976 -10.5246 -10.3760 -10.3377 -10.2560 -10.2291 -1.9087 -1.9029 -1.5329 -1.4626 -1.3139 -1.2412 -1.1624 -1.0883 -0.8402 -0.8265 -0.0070 0.0482 0.2687 0.3440 0.4065 0.4323 1.8268 1.8441 1.9637 1.9756 2.1229 2.1636 2.3079 2.3387 2.4100 2.4384 2.5352 2.5788 2.6962 2.7176 3.9997 4.0154 6.0840 6.2122 6.3691 6.4444 7.7316 7.7585 8.6286 8.7222 k = 0.1705 0.0590 0.0585 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9533 -36.9532 -36.5860 -36.5860 -11.6315 -11.6205 -10.8297 -10.8150 -10.5940 -10.5207 -10.3681 -10.3313 -10.2489 -10.2182 -1.9046 -1.8977 -1.5434 -1.4627 -1.3439 -1.2684 -1.1848 -1.1092 -0.8519 -0.8378 -0.0600 -0.0001 0.2483 0.3108 0.3788 0.4296 1.8136 1.8317 1.9445 1.9606 2.1188 2.1566 2.3087 2.3436 2.4102 2.4367 2.5384 2.5795 2.6956 2.7186 4.0106 4.0256 6.1146 6.2450 6.4007 6.4766 7.7308 7.7595 8.7001 8.7928 k = 0.1818 0.0629 0.0624 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9536 -36.9534 -36.5860 -36.5860 -11.6188 -11.6073 -10.8305 -10.8159 -10.5904 -10.5175 -10.3608 -10.3251 -10.2395 -10.2056 -1.9014 -1.8930 -1.5568 -1.4650 -1.3734 -1.2959 -1.2052 -1.1296 -0.8624 -0.8480 -0.1380 -0.0684 0.2292 0.2888 0.3709 0.4389 1.7983 1.8173 1.9223 1.9423 2.1154 2.1499 2.3095 2.3484 2.4096 2.4356 2.5410 2.5795 2.6956 2.7197 4.0220 4.0362 6.1480 6.2795 6.4351 6.5109 7.7301 7.7606 8.7724 8.8634 k = 0.1932 0.0668 0.0663 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9539 -36.9538 -36.5859 -36.5859 -11.6055 -11.5937 -10.8314 -10.8168 -10.5870 -10.5150 -10.3546 -10.3194 -10.2276 -10.1912 -1.8992 -1.8890 -1.5728 -1.4701 -1.4022 -1.3240 -1.2228 -1.1489 -0.8715 -0.8569 -0.2320 -0.1528 0.2169 0.2810 0.3721 0.4504 1.7803 1.8002 1.8982 1.9213 2.1122 2.1433 2.3103 2.3528 2.4083 2.4354 2.5430 2.5790 2.6960 2.7211 4.0340 4.0472 6.1839 6.3156 6.4721 6.5472 7.7294 7.7617 8.8448 8.9337 k = 0.2045 0.0707 0.0702 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5972 -36.9542 -36.9541 -36.5859 -36.5859 -11.5919 -11.5797 -10.8322 -10.8178 -10.5837 -10.5131 -10.3495 -10.3144 -10.2128 -10.1753 -1.8985 -1.8860 -1.5911 -1.4788 -1.4299 -1.3526 -1.2375 -1.1667 -0.8793 -0.8644 -0.3336 -0.2469 0.2112 0.2812 0.3769 0.4624 1.7590 1.7798 1.8736 1.8989 2.1091 2.1368 2.3112 2.3568 2.4064 2.4358 2.5443 2.5781 2.6968 2.7225 4.0464 4.0586 6.2222 6.3531 6.5114 6.5852 7.7287 7.7630 8.9169 9.0032 k = 0.2159 0.0747 0.0741 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9545 -36.9544 -36.5858 -36.5858 -11.5779 -11.5655 -10.8330 -10.8189 -10.5806 -10.5118 -10.3454 -10.3104 -10.1953 -10.1577 -1.8998 -1.8843 -1.6109 -1.4921 -1.4556 -1.3817 -1.2494 -1.1827 -0.8858 -0.8705 -0.4378 -0.3456 0.2100 0.2853 0.3835 0.4744 1.7339 1.7552 1.8499 1.8763 2.1060 2.1305 2.3124 2.3602 2.4041 2.4365 2.5449 2.5769 2.6979 2.7238 4.0591 4.0703 6.2628 6.3921 6.5528 6.6249 7.7281 7.7645 8.9882 9.0716 k = 0.2273 0.0786 0.0780 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9548 -36.9547 -36.5858 -36.5858 -11.5637 -11.5511 -10.8338 -10.8199 -10.5778 -10.5108 -10.3421 -10.3072 -10.1754 -10.1387 -1.9038 -1.8844 -1.6314 -1.5112 -1.4780 -1.4112 -1.2589 -1.1968 -0.8911 -0.8752 -0.5417 -0.4453 0.2117 0.2912 0.3910 0.4860 1.7047 1.7260 1.8281 1.8543 2.1028 2.1244 2.3137 2.3629 2.4018 2.4373 2.5447 2.5754 2.6990 2.7250 4.0722 4.0824 6.3053 6.4324 6.5961 6.6662 7.7277 7.7662 9.0583 9.1385 k = 0.2386 0.0825 0.0819 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9552 -36.9551 -36.5858 -36.5858 -11.5493 -11.5365 -10.8346 -10.8211 -10.5751 -10.5103 -10.3396 -10.3049 -10.1533 -10.1184 -1.9112 -1.8866 -1.6515 -1.5354 -1.4976 -1.4410 -1.2664 -1.2092 -0.8956 -0.8786 -0.6427 -0.5436 0.2150 0.2977 0.3992 0.4972 1.6715 1.6924 1.8084 1.8336 2.0997 2.1186 2.3151 2.3648 2.3995 2.4378 2.5436 2.5737 2.7002 2.7260 4.0854 4.0947 6.3496 6.4737 6.6409 6.7088 7.7274 7.7681 9.1269 9.2037 k = 0.2500 0.0865 0.0858 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9555 -36.9554 -36.5857 -36.5857 -11.5347 -11.5219 -10.8353 -10.8222 -10.5727 -10.5100 -10.3375 -10.3033 -10.1296 -10.0969 -1.9226 -1.8912 -1.6706 -1.5627 -1.5162 -1.4710 -1.2727 -1.2199 -0.9004 -0.8812 -0.7382 -0.6381 0.2192 0.3043 0.4077 0.5079 1.6349 1.6554 1.7904 1.8143 2.0967 2.1132 2.3166 2.3659 2.3972 2.4379 2.5416 2.5717 2.7013 2.7267 4.0987 4.1073 6.3955 6.5160 6.6869 6.7526 7.7274 7.7703 9.1937 9.2669 k = 0.2614 0.0904 0.0897 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9558 -36.9557 -36.5857 -36.5857 -11.5201 -11.5072 -10.8361 -10.8233 -10.5705 -10.5101 -10.3359 -10.3021 -10.1046 -10.0744 -1.9387 -1.8986 -1.6883 -1.5916 -1.5350 -1.5008 -1.2782 -1.2295 -0.9118 -0.8842 -0.8212 -0.7256 0.2240 0.3105 0.4166 0.5179 1.5955 1.6158 1.7736 1.7965 2.0938 2.1082 2.3180 2.3661 2.3951 2.4376 2.5387 2.5694 2.7022 2.7270 4.1121 4.1201 6.4425 6.5591 6.7338 6.7974 7.7276 7.7729 9.2583 9.3280 k = 0.2727 0.0943 0.0936 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9562 -36.9560 -36.5856 -36.5856 -11.5055 -11.4927 -10.8368 -10.8245 -10.5686 -10.5105 -10.3345 -10.3015 -10.0786 -10.0510 -1.9594 -1.9090 -1.7048 -1.6219 -1.5545 -1.5303 -1.2834 -1.2383 -0.9515 -0.8946 -0.8687 -0.7974 0.2290 0.3162 0.4255 0.5272 1.5544 1.5745 1.7578 1.7797 2.0914 2.1038 2.3195 2.3654 2.3931 2.4366 2.5349 2.5666 2.7030 2.7271 4.1254 4.1330 6.4905 6.6027 6.7812 6.8430 7.7281 7.7759 9.3207 9.3867 k = 0.2841 0.0983 0.0975 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5974 -36.9565 -36.9564 -36.5856 -36.5856 -11.4909 -11.4783 -10.8374 -10.8256 -10.5668 -10.5110 -10.3335 -10.3012 -10.0519 -10.0269 -1.9848 -1.9229 -1.7206 -1.6533 -1.5755 -1.5587 -1.2886 -1.2466 -1.0167 -0.9368 -0.8756 -0.8343 0.2341 0.3213 0.4345 0.5358 1.5122 1.5321 1.7426 1.7639 2.0893 2.0999 2.3208 2.3639 2.3913 2.4351 2.5303 2.5634 2.7036 2.7269 4.1386 4.1460 6.5392 6.6467 6.8287 6.8891 7.7291 7.7794 9.3806 9.4429 k = 0.2955 0.1022 0.1014 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9568 -36.9567 -36.5855 -36.5855 -11.4765 -11.4641 -10.8381 -10.8268 -10.5652 -10.5118 -10.3326 -10.3013 -10.0248 -10.0024 -2.0143 -1.9406 -1.7370 -1.6858 -1.5997 -1.5842 -1.2939 -1.2549 -1.0803 -0.9977 -0.8730 -0.8427 0.2392 0.3257 0.4435 0.5435 1.4696 1.4894 1.7280 1.7488 2.0877 2.0968 2.3220 2.3615 2.3896 2.4330 2.5248 2.5595 2.7039 2.7263 4.1515 4.1590 6.5882 6.6906 6.8760 6.9354 7.7305 7.7833 9.4380 9.4967 k = 0.3068 0.1061 0.1053 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9571 -36.9570 -36.5855 -36.5855 -11.4624 -11.4502 -10.8387 -10.8279 -10.5638 -10.5128 -10.3319 -10.3016 -9.9974 -9.9775 -2.0474 -1.9627 -1.7559 -1.7179 -1.6270 -1.6071 -1.2997 -1.2634 -1.1347 -1.0573 -0.8677 -0.8415 0.2442 0.3294 0.4522 0.5505 1.4272 1.4468 1.7138 1.7344 2.0867 2.0944 2.3230 2.3584 2.3881 2.4304 2.5185 2.5550 2.7041 2.7255 4.1642 4.1718 6.6372 6.7344 6.9227 6.9817 7.7325 7.7877 9.4928 9.5478 k = 0.3182 0.1100 0.1092 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9574 -36.9573 -36.5855 -36.5855 -11.4485 -11.4366 -10.8393 -10.8290 -10.5625 -10.5140 -10.3312 -10.3021 -9.9700 -9.9525 -2.0836 -1.9899 -1.7801 -1.7466 -1.6552 -1.6293 -1.3058 -1.2726 -1.1781 -1.1091 -0.8608 -0.8368 0.2490 0.3323 0.4607 0.5566 1.3855 1.4049 1.7002 1.7205 2.0862 2.0928 2.3237 2.3547 2.3867 2.4272 2.5115 2.5497 2.7041 2.7245 4.1766 4.1844 6.6859 6.7776 6.9684 7.0274 7.7351 7.7926 9.5449 9.5963 k = 0.3295 0.1140 0.1130 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5975 -36.9577 -36.9576 -36.5854 -36.5854 -11.4350 -11.4235 -10.8398 -10.8301 -10.5613 -10.5154 -10.3307 -10.3028 -9.9428 -9.9276 -2.1224 -2.0229 -1.8100 -1.7701 -1.6829 -1.6520 -1.3122 -1.2828 -1.2103 -1.1512 -0.8528 -0.8303 0.2536 0.3346 0.4688 0.5617 1.3450 1.3642 1.6871 1.7072 2.0864 2.0920 2.3242 2.3506 2.3855 2.4237 2.5036 2.5437 2.7040 2.7234 4.1887 4.1967 6.7339 6.8200 7.0129 7.0724 7.7384 7.7980 9.5943 9.6422 k = 0.3409 0.1179 0.1169 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9580 -36.9579 -36.5854 -36.5854 -11.4219 -11.4109 -10.8403 -10.8312 -10.5603 -10.5169 -10.3303 -10.3037 -9.9161 -9.9029 -2.1632 -2.0621 -1.8414 -1.7913 -1.7095 -1.6753 -1.3186 -1.2940 -1.2325 -1.1837 -0.8440 -0.8228 0.2580 0.3362 0.4763 0.5658 1.3060 1.3249 1.6745 1.6944 2.0871 2.0920 2.3242 2.3463 2.3843 2.4198 2.4952 2.5370 2.7038 2.7221 4.2004 4.2085 6.7808 6.8613 7.0559 7.1160 7.7425 7.8039 9.6410 9.6854 k = 0.3523 0.1218 0.1208 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9582 -36.9581 -36.5854 -36.5853 -11.4093 -11.3988 -10.8408 -10.8323 -10.5593 -10.5186 -10.3298 -10.3047 -9.8901 -9.8787 -2.2055 -2.1069 -1.8707 -1.8121 -1.7346 -1.6988 -1.3246 -1.3051 -1.2470 -1.2076 -0.8347 -0.8148 0.2622 0.3371 0.4833 0.5689 1.2690 1.2875 1.6626 1.6820 2.0884 2.0929 2.3235 2.3424 2.3832 2.4158 2.4861 2.5295 2.7036 2.7207 4.2116 4.2197 6.8264 6.9011 7.0971 7.1579 7.7476 7.8103 9.6850 9.7260 k = 0.3636 0.1258 0.1247 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9585 -36.9584 -36.5853 -36.5853 -11.3973 -11.3873 -10.8412 -10.8334 -10.5583 -10.5203 -10.3294 -10.3058 -9.8649 -9.8552 -2.2485 -2.1559 -1.8966 -1.8331 -1.7580 -1.7220 -1.3298 -1.3150 -1.2561 -1.2247 -0.8251 -0.8065 0.2662 0.3375 0.4897 0.5709 1.2343 1.2523 1.6512 1.6703 2.0901 2.0946 2.3217 2.3393 2.3822 2.4117 2.4766 2.5214 2.7033 2.7193 4.2223 4.2304 6.8702 6.9392 7.1362 7.1975 7.7536 7.8170 9.7263 9.7639 k = 0.3750 0.1297 0.1286 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9587 -36.9587 -36.5853 -36.5853 -11.3859 -11.3765 -10.8416 -10.8344 -10.5574 -10.5222 -10.3290 -10.3070 -9.8408 -9.8326 -2.2916 -2.2072 -1.9191 -1.8543 -1.7792 -1.7442 -1.3341 -1.3230 -1.2616 -1.2368 -0.8155 -0.7982 0.2699 0.3372 0.4954 0.5718 1.2022 1.2195 1.6406 1.6590 2.0923 2.0971 2.3187 2.3372 2.3812 2.4076 2.4668 2.5126 2.7030 2.7178 4.2324 4.2404 6.9121 6.9751 7.1732 7.2345 7.7607 7.8240 9.7649 9.7991 k = 0.3864 0.1336 0.1325 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9590 -36.9589 -36.5853 -36.5853 -11.3752 -11.3665 -10.8419 -10.8353 -10.5565 -10.5242 -10.3286 -10.3083 -9.8180 -9.8111 -2.3339 -2.2588 -1.9385 -1.8755 -1.7983 -1.7652 -1.3374 -1.3291 -1.2646 -1.2452 -0.8060 -0.7901 0.2735 0.3364 0.5003 0.5716 1.1729 1.1894 1.6307 1.6484 2.0949 2.1001 2.3149 2.3361 2.3802 2.4036 2.4569 2.5033 2.7027 2.7163 4.2419 4.2496 6.9515 7.0088 7.2078 7.2685 7.7687 7.8311 9.8007 9.8316 k = 0.3977 0.1376 0.1364 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9592 -36.9591 -36.5852 -36.5852 -11.3652 -11.3572 -10.8422 -10.8363 -10.5556 -10.5262 -10.3282 -10.3096 -9.7967 -9.7910 -2.3747 -2.3091 -1.9552 -1.8961 -1.8151 -1.7845 -1.3399 -1.3336 -1.2658 -1.2510 -0.7967 -0.7823 0.2770 0.3351 0.5047 0.5704 1.1466 1.1621 1.6217 1.6384 2.0979 2.1036 2.3107 2.3354 2.3792 2.3999 2.4472 2.4936 2.7024 2.7149 4.2507 4.2581 6.9882 7.0397 7.2399 7.2991 7.7777 7.8382 9.8337 9.8614 k = 0.4091 0.1415 0.1403 ( 6290 PWs) bands (ev): -77.6103 -77.6103 -47.5977 -47.5976 -36.9593 -36.9593 -36.5852 -36.5852 -11.3561 -11.3488 -10.8424 -10.8372 -10.5546 -10.5283 -10.3277 -10.3110 -9.7770 -9.7723 -2.4131 -2.3568 -1.9695 -1.9157 -1.8298 -1.8021 -1.3417 -1.3371 -1.2657 -1.2547 -0.7880 -0.7751 0.2803 0.3332 0.5084 0.5682 1.1234 1.1378 1.6136 1.6291 2.1012 2.1074 2.3068 2.3348 2.3782 2.3964 2.4378 2.4836 2.7023 2.7134 4.2588 4.2657 7.0221 7.0678 7.2694 7.3261 7.7875 7.8449 9.8638 9.8883 k = 0.4205 0.1454 0.1442 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9595 -36.9595 -36.5852 -36.5852 -11.3478 -11.3414 -10.8426 -10.8380 -10.5536 -10.5304 -10.3272 -10.3124 -9.7591 -9.7553 -2.4485 -2.4009 -1.9815 -1.9339 -1.8424 -1.8179 -1.3431 -1.3398 -1.2647 -1.2567 -0.7799 -0.7685 0.2836 0.3310 0.5116 0.5650 1.1034 1.1164 1.6064 1.6205 2.1046 2.1112 2.3033 2.3340 2.3773 2.3933 2.4292 2.4735 2.7022 2.7120 4.2662 4.2724 7.0527 7.0926 7.2963 7.3492 7.7980 7.8511 9.8909 9.9123 k = 0.4318 0.1493 0.1481 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9597 -36.9596 -36.5852 -36.5852 -11.3405 -11.3348 -10.8427 -10.8388 -10.5525 -10.5325 -10.3266 -10.3138 -9.7433 -9.7403 -2.4801 -2.4407 -1.9914 -1.9504 -1.8530 -1.8319 -1.3442 -1.3420 -1.2631 -1.2576 -0.7724 -0.7626 0.2868 0.3283 0.5145 0.5612 1.0865 1.0981 1.6002 1.6128 2.1082 2.1149 2.3006 2.3327 2.3765 2.3906 2.4218 2.4635 2.7021 2.7107 4.2727 4.2782 7.0799 7.1141 7.3204 7.3684 7.8087 7.8566 9.9150 9.9332 k = 0.4432 0.1533 0.1520 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9598 -36.9597 -36.5852 -36.5852 -11.3341 -11.3293 -10.8428 -10.8395 -10.5513 -10.5345 -10.3259 -10.3152 -9.7296 -9.7272 -2.5075 -2.4757 -1.9992 -1.9651 -1.8616 -1.8440 -1.3452 -1.3437 -1.2612 -1.2576 -0.7659 -0.7576 0.2901 0.3253 0.5172 0.5568 1.0728 1.0827 1.5951 1.6059 2.1118 2.1182 2.2990 2.3306 2.3759 2.3882 2.4159 2.4536 2.7022 2.7094 4.2783 4.2831 7.1036 7.1321 7.3418 7.3837 7.8195 7.8610 9.9359 9.9510 k = 0.4545 0.1572 0.1559 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9599 -36.9599 -36.5851 -36.5851 -11.3287 -11.3249 -10.8428 -10.8402 -10.5501 -10.5366 -10.3251 -10.3165 -9.7182 -9.7164 -2.5300 -2.5053 -2.0050 -1.9778 -1.8684 -1.8542 -1.3461 -1.3451 -1.2594 -1.2571 -0.7602 -0.7535 0.2933 0.3220 0.5199 0.5520 1.0620 1.0701 1.5911 1.5999 2.1152 2.1210 2.2985 2.3276 2.3758 2.3860 2.4118 2.4442 2.7024 2.7082 4.2831 4.2870 7.1236 7.1464 7.3603 7.3951 7.8298 7.8641 9.9535 9.9656 k = 0.4659 0.1611 0.1598 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9599 -36.5851 -36.5851 -11.3243 -11.3215 -10.8427 -10.8408 -10.5488 -10.5386 -10.3243 -10.3178 -9.7091 -9.7079 -2.5474 -2.5292 -2.0088 -1.9884 -1.8732 -1.8625 -1.3469 -1.3461 -1.2577 -1.2563 -0.7555 -0.7505 0.2967 0.3185 0.5228 0.5471 1.0540 1.0602 1.5882 1.5950 2.1182 2.1231 2.2994 2.3236 2.3762 2.3842 2.4098 2.4354 2.7028 2.7071 4.2870 4.2899 7.1398 7.1570 7.3758 7.4027 7.8394 7.8658 9.9677 9.9767 k = 0.4773 0.1651 0.1637 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3211 -11.3191 -10.8426 -10.8413 -10.5473 -10.5405 -10.3234 -10.3191 -9.7026 -9.7017 -2.5592 -2.5473 -2.0105 -1.9970 -1.8761 -1.8690 -1.3474 -1.3469 -1.2564 -1.2556 -0.7519 -0.7485 0.3002 0.3148 0.5259 0.5423 1.0487 1.0529 1.5864 1.5910 2.1209 2.1244 2.3015 2.3188 2.3770 2.3825 2.4097 2.4275 2.7032 2.7061 4.2899 4.2919 7.1523 7.1638 7.3884 7.4067 7.8478 7.8657 9.9783 9.9843 k = 0.4886 0.1690 0.1676 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3189 -11.3180 -10.8424 -10.8417 -10.5458 -10.5424 -10.3224 -10.3203 -9.6985 -9.6981 -2.5652 -2.5593 -2.0102 -2.0034 -1.8772 -1.8736 -1.3477 -1.3474 -1.2555 -1.2551 -0.7494 -0.7477 0.3037 0.3111 0.5294 0.5376 1.0460 1.0481 1.5858 1.5882 2.1229 2.1248 2.3047 2.3138 2.3782 2.3810 2.4116 2.4207 2.7037 2.7052 4.2919 4.2929 7.1610 7.1667 7.3979 7.4071 7.8549 7.8639 9.9853 9.9883 k = 0.5000 0.1729 0.1715 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9601 -36.9601 -36.5851 -36.5851 -11.3179 -11.3179 -10.8421 -10.8421 -10.5441 -10.5441 -10.3214 -10.3214 -9.6970 -9.6970 -2.5653 -2.5653 -2.0079 -2.0079 -1.8763 -1.8763 -1.3477 -1.3477 -1.2550 -1.2550 -0.7480 -0.7480 0.3074 0.3074 0.5333 0.5333 1.0459 1.0459 1.5864 1.5864 2.1242 2.1242 2.3090 2.3090 2.3796 2.3796 2.4154 2.4154 2.7044 2.7044 4.2929 4.2929 7.1657 7.1657 7.4042 7.4042 7.8603 7.8603 9.9886 9.9886 k = 0.5000-0.1739 0.1714 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3241 -11.3241 -10.8437 -10.8437 -10.5278 -10.5278 -10.3289 -10.3289 -9.6969 -9.6969 -2.5618 -2.5618 -1.9870 -1.9870 -1.8534 -1.8534 -1.4480 -1.4480 -1.2090 -1.2090 -0.7644 -0.7644 0.3007 0.3007 0.5790 0.5790 1.0231 1.0231 1.5553 1.5553 2.1349 2.1349 2.3132 2.3132 2.3855 2.3855 2.4190 2.4190 2.7420 2.7420 4.2665 4.2665 7.1606 7.1606 7.3900 7.3900 7.9088 7.9088 9.9718 9.9718 k = 0.4886-0.1700 0.1675 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3251 -11.3241 -10.8442 -10.8431 -10.5288 -10.5268 -10.3293 -10.3285 -9.6985 -9.6978 -2.5625 -2.5551 -1.9892 -1.9828 -1.8534 -1.8513 -1.4496 -1.4462 -1.2109 -1.2077 -0.7656 -0.7641 0.2979 0.3035 0.5755 0.5827 1.0234 1.0252 1.5556 1.5563 2.1338 2.1353 2.3109 2.3163 2.3795 2.3904 2.4166 2.4238 2.7417 2.7424 4.2657 4.2665 7.1573 7.1601 7.3853 7.3912 7.9042 7.9116 9.9690 9.9709 k = 0.4773-0.1660 0.1636 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3272 -11.3253 -10.8445 -10.8424 -10.5298 -10.5259 -10.3294 -10.3279 -9.7027 -9.7013 -2.5574 -2.5423 -1.9895 -1.9766 -1.8514 -1.8470 -1.4510 -1.4441 -1.2132 -1.2068 -0.7680 -0.7649 0.2952 0.3063 0.5722 0.5867 1.0262 1.0298 1.5570 1.5585 2.1323 2.1352 2.3096 2.3202 2.3733 2.3928 2.4180 2.4300 2.7413 2.7428 4.2641 4.2656 7.1502 7.1560 7.3774 7.3889 7.8980 7.9126 9.9625 9.9662 k = 0.4659-0.1621 0.1597 ( 6302 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9599 -36.5851 -36.5851 -11.3305 -11.3276 -10.8447 -10.8416 -10.5308 -10.5250 -10.3295 -10.3272 -9.7095 -9.7073 -2.5465 -2.5236 -1.9878 -1.9685 -1.8473 -1.8405 -1.4522 -1.4416 -1.2159 -1.2064 -0.7713 -0.7667 0.2925 0.3090 0.5691 0.5907 1.0315 1.0368 1.5597 1.5619 2.1304 2.1345 2.3091 2.3248 2.3673 2.3926 2.4231 2.4370 2.7410 2.7432 4.2616 4.2638 7.1393 7.1481 7.3663 7.3829 7.8902 7.9118 9.9523 9.9580 k = 0.4545-0.1581 0.1558 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9599 -36.9599 -36.5851 -36.5851 -11.3347 -11.3310 -10.8448 -10.8407 -10.5319 -10.5241 -10.3294 -10.3264 -9.7186 -9.7157 -2.5301 -2.4990 -1.9841 -1.9585 -1.8413 -1.8316 -1.4531 -1.4388 -1.2190 -1.2063 -0.7756 -0.7694 0.2898 0.3117 0.5661 0.5947 1.0395 1.0464 1.5635 1.5665 2.1280 2.1332 2.3095 2.3300 2.3618 2.3912 2.4306 2.4448 2.7407 2.7437 4.2583 4.2611 7.1246 7.1367 7.3521 7.3733 7.8812 7.9092 9.9385 9.9462 k = 0.4432-0.1542 0.1519 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9598 -36.9597 -36.5852 -36.5852 -11.3400 -11.3354 -10.8448 -10.8397 -10.5330 -10.5232 -10.3293 -10.3255 -9.7302 -9.7264 -2.5086 -2.4689 -1.9785 -1.9468 -1.8333 -1.8202 -1.4538 -1.4356 -1.2222 -1.2063 -0.7808 -0.7731 0.2872 0.3142 0.5630 0.5984 1.0503 1.0587 1.5685 1.5722 2.1255 2.1315 2.3107 2.3354 2.3570 2.3899 2.4391 2.4530 2.7404 2.7442 4.2542 4.2576 7.1061 7.1217 7.3349 7.3600 7.8712 7.9052 9.9211 9.9310 k = 0.4318-0.1502 0.1480 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9597 -36.9596 -36.5852 -36.5852 -11.3463 -11.3408 -10.8446 -10.8386 -10.5341 -10.5223 -10.3291 -10.3244 -9.7440 -9.7393 -2.4823 -2.4334 -1.9709 -1.9334 -1.8235 -1.8063 -1.4542 -1.4318 -1.2254 -1.2064 -0.7869 -0.7775 0.2846 0.3166 0.5596 0.6016 1.0640 1.0739 1.5747 1.5791 2.1226 2.1295 2.3124 2.3405 2.3535 2.3891 2.4482 2.4616 2.7401 2.7447 4.2493 4.2533 7.0837 7.1033 7.3148 7.3429 7.8606 7.8997 9.9004 9.9125 k = 0.4205-0.1462 0.1441 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9595 -36.9595 -36.5852 -36.5852 -11.3535 -11.3472 -10.8444 -10.8375 -10.5353 -10.5215 -10.3288 -10.3233 -9.7599 -9.7543 -2.4518 -2.3931 -1.9613 -1.9186 -1.8119 -1.7895 -1.4543 -1.4272 -1.2284 -1.2063 -0.7937 -0.7828 0.2820 0.3186 0.5558 0.6040 1.0808 1.0919 1.5819 1.5870 2.1197 2.1272 2.3146 2.3430 2.3534 2.3891 2.4575 2.4705 2.7399 2.7453 4.2437 4.2481 7.0576 7.0817 7.2920 7.3221 7.8497 7.8932 9.8764 9.8910 k = 0.4091-0.1423 0.1402 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9593 -36.9593 -36.5852 -36.5852 -11.3617 -11.3546 -10.8440 -10.8364 -10.5365 -10.5207 -10.3284 -10.3221 -9.7779 -9.7712 -2.4176 -2.3485 -1.9498 -1.9025 -1.7986 -1.7699 -1.4538 -1.4217 -1.2309 -1.2056 -0.8012 -0.7887 0.2793 0.3204 0.5514 0.6056 1.1007 1.1130 1.5902 1.5959 2.1167 2.1250 2.3169 2.3417 2.3577 2.3901 2.4669 2.4795 2.7396 2.7458 4.2373 4.2422 7.0279 7.0569 7.2663 7.2977 7.8388 7.8858 9.8492 9.8664 k = 0.3977-0.1383 0.1363 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9592 -36.9591 -36.5852 -36.5852 -11.3706 -11.3628 -10.8435 -10.8352 -10.5378 -10.5199 -10.3281 -10.3208 -9.7976 -9.7898 -2.3803 -2.3003 -1.9362 -1.8853 -1.7836 -1.7473 -1.4527 -1.4150 -1.2326 -1.2040 -0.8092 -0.7951 0.2765 0.3219 0.5463 0.6061 1.1237 1.1370 1.5995 1.6059 2.1137 2.1229 2.3190 2.3397 2.3632 2.3922 2.4761 2.4887 2.7392 2.7463 4.2303 4.2354 6.9947 7.0292 7.2380 7.2698 7.8283 7.8777 9.8190 9.8390 k = 0.3864-0.1344 0.1324 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9590 -36.9589 -36.5853 -36.5853 -11.3804 -11.3720 -10.8429 -10.8340 -10.5391 -10.5192 -10.3277 -10.3194 -9.8190 -9.8099 -2.3407 -2.2495 -1.9204 -1.8674 -1.7671 -1.7218 -1.4506 -1.4069 -1.2332 -1.2010 -0.8177 -0.8020 0.2736 0.3230 0.5404 0.6055 1.1498 1.1639 1.6097 1.6167 2.1107 2.1210 2.3206 2.3380 2.3688 2.3953 2.4850 2.4980 2.7389 2.7469 4.2225 4.2279 6.9583 6.9987 7.2070 7.2387 7.8182 7.8693 9.7859 9.8088 k = 0.3750-0.1304 0.1285 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9587 -36.9587 -36.5853 -36.5853 -11.3909 -11.3819 -10.8423 -10.8328 -10.5405 -10.5185 -10.3274 -10.3181 -9.8419 -9.8313 -2.2995 -2.1972 -1.9022 -1.8490 -1.7491 -1.6937 -1.4471 -1.3971 -1.2320 -1.1960 -0.8264 -0.8091 0.2705 0.3236 0.5338 0.6037 1.1788 1.1936 1.6209 1.6285 2.1079 2.1196 2.3214 2.3372 2.3739 2.3994 2.4936 2.5074 2.7385 2.7474 4.2142 4.2197 6.9190 6.9658 7.1732 7.2048 7.8089 7.8607 9.7499 9.7759 k = 0.3636-0.1265 0.1247 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9585 -36.9584 -36.5853 -36.5853 -11.4021 -11.3925 -10.8416 -10.8316 -10.5420 -10.5179 -10.3272 -10.3167 -9.8660 -9.8539 -2.2575 -2.1450 -1.8812 -1.8303 -1.7299 -1.6638 -1.4415 -1.3855 -1.2283 -1.1880 -0.8352 -0.8164 0.2673 0.3238 0.5263 0.6007 1.2105 1.2260 1.6328 1.6410 2.1054 2.1187 2.3213 2.3371 2.3786 2.4041 2.5018 2.5167 2.7380 2.7479 4.2053 4.2108 6.8771 6.9306 7.1368 7.1683 7.8004 7.8521 9.7112 9.7405 k = 0.3523-0.1225 0.1208 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9582 -36.9581 -36.5854 -36.5854 -11.4139 -11.4038 -10.8408 -10.8304 -10.5435 -10.5173 -10.3270 -10.3152 -9.8912 -9.8774 -2.2154 -2.0948 -1.8570 -1.8116 -1.7096 -1.6332 -1.4332 -1.3725 -1.2210 -1.1757 -0.8440 -0.8235 0.2638 0.3235 0.5182 0.5965 1.2447 1.2607 1.6456 1.6544 2.1032 2.1183 2.3205 2.3376 2.3830 2.4091 2.5095 2.5260 2.7375 2.7482 4.1958 4.2013 6.8329 6.8934 7.0978 7.1298 7.7927 7.8437 9.6698 9.7025 k = 0.3409-0.1186 0.1169 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9580 -36.9579 -36.5854 -36.5854 -11.4263 -11.4157 -10.8399 -10.8293 -10.5451 -10.5168 -10.3270 -10.3138 -9.9173 -9.9015 -2.1741 -2.0485 -1.8293 -1.7930 -1.6884 -1.6035 -1.4212 -1.3588 -1.2085 -1.1571 -0.8525 -0.8305 0.2602 0.3227 0.5093 0.5912 1.2812 1.2975 1.6592 1.6684 2.1015 2.1186 2.3193 2.3382 2.3869 2.4140 2.5167 2.5350 2.7368 2.7485 4.1858 4.1914 6.7869 6.8545 7.0562 7.0898 7.7859 7.8356 9.6256 9.6620 k = 0.3295-0.1146 0.1130 ( 6284 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5975 -36.9577 -36.9576 -36.5854 -36.5854 -11.4392 -11.4281 -10.8391 -10.8281 -10.5469 -10.5163 -10.3271 -10.3125 -9.9440 -9.9262 -2.1342 -2.0079 -1.7981 -1.7744 -1.6664 -1.5764 -1.4052 -1.3458 -1.1889 -1.1299 -0.8605 -0.8369 0.2564 0.3213 0.4999 0.5848 1.3194 1.3362 1.6735 1.6831 2.1003 2.1196 2.3180 2.3388 2.3905 2.4183 2.5236 2.5438 2.7361 2.7487 4.1753 4.1809 6.7393 6.8141 7.0124 7.0486 7.7800 7.8279 9.5789 9.6191 k = 0.3182-0.1107 0.1091 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9574 -36.9573 -36.5855 -36.5855 -11.4525 -11.4411 -10.8381 -10.8270 -10.5487 -10.5160 -10.3275 -10.3111 -9.9712 -9.9510 -2.0964 -1.9739 -1.7652 -1.7547 -1.6440 -1.5528 -1.3860 -1.3347 -1.1600 -1.0920 -0.8678 -0.8426 0.2524 0.3193 0.4899 0.5774 1.3592 1.3762 1.6884 1.6985 2.0996 2.1212 2.3165 2.3391 2.3937 2.4220 2.5301 2.5523 2.7352 2.7486 4.1643 4.1701 6.6906 6.7726 6.9666 7.0066 7.7749 7.8206 9.5295 9.5736 k = 0.3068-0.1067 0.1052 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9571 -36.9570 -36.5855 -36.5855 -11.4661 -11.4544 -10.8372 -10.8259 -10.5507 -10.5157 -10.3281 -10.3098 -9.9987 -9.9760 -2.0612 -1.9465 -1.7410 -1.7245 -1.6211 -1.5327 -1.3659 -1.3258 -1.1200 -1.0426 -0.8740 -0.8471 0.2482 0.3166 0.4797 0.5691 1.4001 1.4174 1.7040 1.7145 2.0995 2.1236 2.3149 2.3391 2.3964 2.4247 2.5361 2.5604 2.7341 2.7484 4.1529 4.1591 6.6411 6.7302 6.9195 6.9639 7.7705 7.8138 9.4775 9.5257 k = 0.2955-0.1028 0.1013 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9568 -36.9567 -36.5855 -36.5855 -11.4800 -11.4681 -10.8362 -10.8248 -10.5528 -10.5155 -10.3290 -10.3086 -10.0263 -10.0008 -2.0292 -1.9250 -1.7220 -1.6882 -1.5979 -1.5151 -1.3472 -1.3182 -1.0681 -0.9832 -0.8784 -0.8494 0.2438 0.3133 0.4692 0.5599 1.4417 1.4591 1.7202 1.7310 2.1001 2.1268 2.3133 2.3388 2.3986 2.4265 2.5418 2.5681 2.7329 2.7479 4.1412 4.1478 6.5913 6.6873 6.8713 6.9209 7.7668 7.8075 9.4230 9.4753 k = 0.2841-0.0988 0.0974 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5974 -36.9565 -36.9564 -36.5856 -36.5856 -11.4942 -11.4820 -10.8353 -10.8238 -10.5551 -10.5155 -10.3302 -10.3075 -10.0537 -10.0252 -2.0008 -1.9086 -1.7029 -1.6520 -1.5746 -1.4989 -1.3320 -1.3107 -1.0063 -0.9202 -0.8777 -0.8454 0.2393 0.3093 0.4586 0.5499 1.4835 1.5011 1.7370 1.7481 2.1014 2.1306 2.3116 2.3381 2.4003 2.4271 2.5471 2.5752 2.7315 2.7471 4.1291 4.1364 6.5414 6.6440 6.8226 6.8776 7.7636 7.8018 9.3660 9.4225 k = 0.2727-0.0949 0.0935 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9562 -36.9560 -36.5856 -36.5856 -11.5085 -11.4962 -10.8343 -10.8228 -10.5575 -10.5156 -10.3317 -10.3065 -10.0808 -10.0490 -1.9765 -1.8965 -1.6827 -1.6169 -1.5513 -1.4833 -1.3211 -1.3009 -0.9445 -0.8891 -0.8554 -0.8092 0.2348 0.3047 0.4480 0.5391 1.5250 1.5426 1.7545 1.7658 2.1033 2.1352 2.3098 2.3370 2.4015 2.4267 2.5518 2.5817 2.7299 2.7460 4.1168 4.1249 6.4919 6.6007 6.7739 6.8344 7.7610 7.7965 9.3065 9.3672 k = 0.2614-0.0909 0.0896 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9558 -36.9557 -36.5857 -36.5857 -11.5229 -11.5105 -10.8333 -10.8219 -10.5600 -10.5160 -10.3338 -10.3055 -10.1073 -10.0721 -1.9565 -1.8882 -1.6609 -1.5834 -1.5283 -1.4678 -1.3136 -1.2884 -0.9126 -0.8795 -0.8053 -0.7309 0.2303 0.2994 0.4376 0.5277 1.5659 1.5832 1.7726 1.7841 2.1060 2.1405 2.3079 2.3354 2.4022 2.4252 2.5561 2.5875 2.7282 2.7445 4.1043 4.1135 6.4431 6.5576 6.7255 6.7914 7.7588 7.7916 9.2448 9.3096 k = 0.2500-0.0870 0.0857 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9555 -36.9554 -36.5857 -36.5857 -11.5373 -11.5249 -10.8323 -10.8210 -10.5628 -10.5165 -10.3363 -10.3048 -10.1331 -10.0942 -1.9408 -1.8830 -1.6374 -1.5518 -1.5058 -1.4523 -1.3067 -1.2740 -0.9056 -0.8744 -0.7222 -0.6407 0.2260 0.2937 0.4274 0.5157 1.6054 1.6223 1.7914 1.8031 2.1095 2.1463 2.3058 2.3333 2.4025 2.4229 2.5596 2.5926 2.7263 2.7428 4.0918 4.1020 6.3952 6.5149 6.6779 6.7489 7.7570 7.7873 9.1808 9.2498 k = 0.2386-0.0830 0.0818 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9552 -36.9551 -36.5858 -36.5858 -11.5516 -11.5393 -10.8313 -10.8201 -10.5657 -10.5173 -10.3393 -10.3042 -10.1579 -10.1152 -1.9290 -1.8806 -1.6127 -1.5228 -1.4841 -1.4365 -1.2986 -1.2577 -0.9028 -0.8711 -0.6264 -0.5452 0.2221 0.2877 0.4177 0.5031 1.6430 1.6593 1.8109 1.8227 2.1138 2.1528 2.3035 2.3309 2.4025 2.4198 2.5625 2.5970 2.7244 2.7408 4.0793 4.0906 6.3487 6.4729 6.6314 6.7072 7.7555 7.7833 9.1148 9.1878 k = 0.2273-0.0791 0.0779 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9548 -36.9547 -36.5858 -36.5858 -11.5658 -11.5536 -10.8303 -10.8193 -10.5688 -10.5184 -10.3430 -10.3039 -10.1816 -10.1349 -1.9208 -1.8803 -1.5874 -1.4979 -1.4632 -1.4195 -1.2880 -1.2395 -0.8999 -0.8675 -0.5248 -0.4467 0.2190 0.2818 0.4086 0.4900 1.6783 1.6934 1.8309 1.8430 2.1190 2.1598 2.3010 2.3281 2.4021 2.4161 2.5645 2.6005 2.7225 2.7386 4.0668 4.0794 6.3038 6.4318 6.5863 6.6663 7.7542 7.7796 9.0471 9.1239 k = 0.2159-0.0751 0.0740 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9545 -36.9544 -36.5858 -36.5858 -11.5799 -11.5678 -10.8294 -10.8185 -10.5721 -10.5198 -10.3473 -10.3039 -10.2038 -10.1532 -1.9157 -1.8818 -1.5627 -1.4787 -1.4430 -1.3999 -1.2740 -1.2193 -0.8960 -0.8629 -0.4204 -0.3472 0.2171 0.2768 0.4003 0.4765 1.7108 1.7245 1.8512 1.8639 2.1252 2.1671 2.2983 2.3250 2.4014 2.4120 2.5656 2.6032 2.7207 2.7362 4.0546 4.0683 6.2607 6.3917 6.5431 6.6266 7.7531 7.7763 8.9779 9.0583 k = 0.2045-0.0711 0.0701 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5972 -36.9542 -36.9541 -36.5859 -36.5859 -11.5936 -11.5818 -10.8284 -10.8177 -10.5755 -10.5217 -10.3522 -10.3045 -10.2242 -10.1699 -1.9130 -1.8846 -1.5402 -1.4658 -1.4232 -1.3764 -1.2563 -1.1973 -0.8907 -0.8572 -0.3157 -0.2488 0.2174 0.2740 0.3934 0.4626 1.7400 1.7523 1.8714 1.8848 2.1325 2.1748 2.2954 2.3218 2.4003 2.4077 2.5657 2.6050 2.7190 2.7338 4.0426 4.0573 6.2198 6.3528 6.5018 6.5882 7.7521 7.7733 8.9074 8.9911 k = 0.1932-0.0672 0.0662 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9539 -36.9538 -36.5859 -36.5859 -11.6071 -11.5956 -10.8275 -10.8170 -10.5791 -10.5241 -10.3579 -10.3060 -10.2423 -10.1850 -1.9123 -1.8884 -1.5216 -1.4583 -1.4024 -1.3494 -1.2353 -1.1738 -0.8840 -0.8502 -0.2142 -0.1546 0.2209 0.2758 0.3888 0.4485 1.7660 1.7769 1.8909 1.9051 2.1410 2.1827 2.2923 2.3188 2.3985 2.4040 2.5647 2.6059 2.7175 2.7315 4.0309 4.0466 6.1813 6.3153 6.4628 6.5512 7.7512 7.7705 8.8363 8.9228 k = 0.1818-0.0632 0.0623 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9536 -36.9535 -36.5860 -36.5860 -11.6202 -11.6090 -10.8266 -10.8163 -10.5828 -10.5270 -10.3640 -10.3088 -10.2576 -10.1984 -1.9131 -1.8930 -1.5080 -1.4551 -1.3788 -1.3203 -1.2117 -1.1495 -0.8759 -0.8420 -0.1218 -0.0687 0.2296 0.2864 0.3889 0.4345 1.7888 1.7988 1.9090 1.9239 2.1507 2.1906 2.2889 2.3160 2.3953 2.4017 2.5627 2.6058 2.7161 2.7295 4.0196 4.0361 6.1453 6.2792 6.4263 6.5158 7.7504 7.7680 8.7648 8.8536 k = 0.1705-0.0593 0.0584 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9533 -36.9532 -36.5860 -36.5860 -11.6328 -11.6220 -10.8257 -10.8157 -10.5867 -10.5305 -10.3706 -10.3139 -10.2690 -10.2102 -1.9151 -1.8981 -1.4993 -1.4551 -1.3520 -1.2903 -1.1865 -1.1247 -0.8663 -0.8325 -0.0478 0.0037 0.2461 0.3096 0.4000 0.4213 1.8085 1.8182 1.9249 1.9403 2.1615 2.1986 2.2853 2.3135 2.3912 2.4006 2.5597 2.6049 2.7150 2.7278 4.0087 4.0259 6.1119 6.2447 6.3924 6.4822 7.7496 7.7656 8.6934 8.7841 k = 0.1591-0.0553 0.0545 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5971 -36.9530 -36.9529 -36.5861 -36.5861 -11.6449 -11.6345 -10.8249 -10.8152 -10.5905 -10.5347 -10.3774 -10.3214 -10.2765 -10.2205 -1.9179 -1.9035 -1.4946 -1.4573 -1.3228 -1.2599 -1.1603 -1.1002 -0.8553 -0.8219 0.0007 0.0546 0.2693 0.3445 0.4104 0.4364 1.8256 1.8356 1.9381 1.9538 2.1730 2.2064 2.2817 2.3115 2.3871 2.4001 2.5556 2.6031 2.7140 2.7265 3.9983 4.0160 6.0814 6.2119 6.3614 6.4504 7.7489 7.7634 8.6227 8.7145 k = 0.1477-0.0514 0.0506 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9527 -36.9526 -36.5861 -36.5861 -11.6564 -11.6466 -10.8241 -10.8147 -10.5944 -10.5396 -10.3841 -10.3307 -10.2807 -10.2294 -1.9212 -1.9090 -1.4927 -1.4609 -1.2920 -1.2299 -1.1340 -1.0763 -0.8428 -0.8102 0.0270 0.0803 0.2856 0.3719 0.4318 0.5006 1.8404 1.8510 1.9480 1.9641 2.1846 2.2141 2.2781 2.3096 2.3832 2.4002 2.5507 2.6004 2.7131 2.7258 3.9885 4.0064 6.0539 6.1808 6.3332 6.4205 7.7481 7.7613 8.5533 8.6455 k = 0.1364-0.0474 0.0467 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9525 -36.9524 -36.5861 -36.5861 -11.6673 -11.6580 -10.8233 -10.8142 -10.5982 -10.5451 -10.3905 -10.3404 -10.2830 -10.2370 -1.9249 -1.9145 -1.4928 -1.4654 -1.2606 -1.2005 -1.1080 -1.0536 -0.8289 -0.7975 0.0390 0.0882 0.2897 0.3655 0.5093 0.5838 1.8532 1.8646 1.9546 1.9712 2.1954 2.2217 2.2746 2.3079 2.3798 2.4008 2.5451 2.5969 2.7124 2.7255 3.9793 3.9972 6.0293 6.1515 6.3079 6.3926 7.7473 7.7593 8.4858 8.5775 k = 0.1250-0.0435 0.0428 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9522 -36.9522 -36.5862 -36.5862 -11.6774 -11.6688 -10.8225 -10.8138 -10.6018 -10.5512 -10.3963 -10.3500 -10.2841 -10.2436 -1.9288 -1.9198 -1.4942 -1.4705 -1.2293 -1.1722 -1.0829 -1.0323 -0.8139 -0.7841 0.0428 0.0866 0.2875 0.3526 0.6046 0.6759 1.8641 1.8765 1.9580 1.9751 2.2047 2.2291 2.2715 2.3059 2.3770 2.4020 2.5390 2.5926 2.7119 2.7255 3.9707 3.9883 6.0077 6.1240 6.2856 6.3668 7.7465 7.7574 8.4209 8.5110 k = 0.1136-0.0395 0.0390 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9520 -36.9519 -36.5862 -36.5862 -11.6869 -11.6789 -10.8217 -10.8135 -10.6053 -10.5578 -10.4014 -10.3590 -10.2846 -10.2492 -1.9327 -1.9250 -1.4963 -1.4758 -1.1986 -1.1454 -1.0589 -1.0128 -0.7980 -0.7700 0.0420 0.0803 0.2825 0.3387 0.7048 0.7711 1.8733 1.8866 1.9585 1.9760 2.2120 2.2361 2.2688 2.3036 2.3748 2.4036 2.5326 2.5876 2.7115 2.7258 3.9629 3.9799 5.9891 6.0983 6.2662 6.3431 7.7457 7.7556 8.3591 8.4468 k = 0.1023-0.0356 0.0351 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9518 -36.9517 -36.5862 -36.5862 -11.6955 -11.6882 -10.8210 -10.8133 -10.6085 -10.5646 -10.4057 -10.3673 -10.2847 -10.2541 -1.9365 -1.9299 -1.4988 -1.4812 -1.1691 -1.1203 -1.0365 -0.9952 -0.7814 -0.7557 0.0386 0.0717 0.2764 0.3248 0.8055 0.8662 1.8807 1.8950 1.9565 1.9745 2.2174 2.2418 2.2672 2.3009 2.3732 2.4052 2.5262 2.5819 2.7115 2.7260 3.9557 3.9720 5.9734 6.0746 6.2498 6.3214 7.7448 7.7538 8.3013 8.3853 k = 0.0909-0.0316 0.0312 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9516 -36.9515 -36.5862 -36.5862 -11.7034 -11.6968 -10.8203 -10.8132 -10.6113 -10.5716 -10.4091 -10.3748 -10.2845 -10.2582 -1.9401 -1.9345 -1.5016 -1.4864 -1.1412 -1.0973 -1.0158 -0.9796 -0.7645 -0.7413 0.0337 0.0620 0.2699 0.3113 0.9040 0.9590 1.8863 1.9014 1.9527 1.9708 2.2213 2.2450 2.2670 2.2979 2.3721 2.4064 2.5203 2.5756 2.7117 2.7263 3.9494 3.9646 5.9605 6.0527 6.2361 6.3019 7.7441 7.7521 8.2481 8.3272 k = 0.0795-0.0277 0.0273 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9514 -36.9514 -36.5863 -36.5863 -11.7103 -11.7045 -10.8196 -10.8131 -10.6137 -10.5785 -10.4117 -10.3816 -10.2842 -10.2619 -1.9434 -1.9387 -1.5042 -1.4914 -1.1152 -1.0766 -0.9970 -0.9660 -0.7479 -0.7274 0.0282 0.0521 0.2634 0.2985 0.9987 1.0478 1.8896 1.9054 1.9478 1.9656 2.2239 2.2455 2.2685 2.2946 2.3713 2.4067 2.5152 2.5688 2.7122 2.7263 3.9438 3.9578 5.9504 6.0326 6.2252 6.2843 7.7433 7.7505 8.2002 8.2731 k = 0.0682-0.0237 0.0234 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9513 -36.9512 -36.5863 -36.5863 -11.7164 -11.7113 -10.8189 -10.8131 -10.6156 -10.5852 -10.4135 -10.3876 -10.2837 -10.2651 -1.9463 -1.9424 -1.5067 -1.4960 -1.0916 -1.0586 -0.9802 -0.9542 -0.7320 -0.7143 0.0226 0.0425 0.2573 0.2866 1.0879 1.1311 1.8904 1.9060 1.9431 1.9597 2.2256 2.2442 2.2706 2.2913 2.3709 2.4056 2.5115 2.5616 2.7129 2.7261 3.9391 3.9515 5.9428 6.0145 6.2168 6.2688 7.7426 7.7490 8.1581 8.2237 k = 0.0568-0.0198 0.0195 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9512 -36.9511 -36.5863 -36.5863 -11.7215 -11.7172 -10.8182 -10.8133 -10.6170 -10.5914 -10.4146 -10.3930 -10.2831 -10.2679 -1.9489 -1.9457 -1.5089 -1.5002 -1.0707 -1.0435 -0.9654 -0.9444 -0.7173 -0.7024 0.0173 0.0335 0.2520 0.2758 1.1702 1.2072 1.8882 1.9022 1.9401 1.9541 2.2267 2.2420 2.2725 2.2881 2.3707 2.4030 2.5094 2.5543 2.7138 2.7257 3.9353 3.9459 5.9377 5.9982 6.2109 6.2551 7.7421 7.7475 8.1226 8.1795 k = 0.0455-0.0158 0.0156 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9510 -36.9510 -36.5863 -36.5863 -11.7256 -11.7221 -10.8175 -10.8135 -10.6177 -10.5972 -10.4150 -10.3978 -10.2823 -10.2704 -1.9510 -1.9484 -1.5107 -1.5038 -1.0528 -1.0314 -0.9529 -0.9365 -0.7043 -0.6923 0.0128 0.0254 0.2475 0.2662 1.2438 1.2743 1.8830 1.8941 1.9391 1.9496 2.2274 2.2394 2.2739 2.2851 2.3709 2.3991 2.5090 2.5470 2.7150 2.7251 3.9323 3.9411 5.9349 5.9838 6.2072 6.2432 7.7417 7.7461 8.0941 8.1412 k = 0.0341-0.0119 0.0117 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7287 -11.7261 -10.8169 -10.8138 -10.6178 -10.6024 -10.4148 -10.4019 -10.2814 -10.2725 -1.9525 -1.9507 -1.5119 -1.5068 -1.0382 -1.0224 -0.9427 -0.9306 -0.6933 -0.6843 0.0092 0.0186 0.2443 0.2581 1.3066 1.3302 1.8754 1.8834 1.9394 1.9465 2.2279 2.2369 2.2748 2.2825 2.3717 2.3942 2.5103 2.5399 2.7163 2.7242 3.9303 3.9370 5.9342 5.9712 6.2056 6.2329 7.7414 7.7449 8.0730 8.1093 k = 0.0227-0.0079 0.0078 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7308 -11.7291 -10.8163 -10.8142 -10.6171 -10.6068 -10.4141 -10.4054 -10.2803 -10.2745 -1.9536 -1.9524 -1.5126 -1.5093 -1.0270 -1.0166 -0.9347 -0.9268 -0.6848 -0.6788 0.0069 0.0131 0.2425 0.2516 1.3560 1.3723 1.8675 1.8726 1.9401 1.9445 2.2286 2.2345 2.2755 2.2803 2.3733 2.3890 2.5129 2.5332 2.7177 2.7231 3.9291 3.9337 5.9356 5.9604 6.2059 6.2243 7.7414 7.7438 8.0596 8.0843 k = 0.0114-0.0040 0.0039 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9508 -36.5863 -36.5863 -11.7319 -11.7311 -10.8157 -10.8146 -10.6157 -10.6106 -10.4127 -10.4084 -10.2791 -10.2762 -1.9541 -1.9535 -1.5127 -1.5111 -1.0192 -1.0141 -0.9292 -0.9252 -0.6789 -0.6759 0.0061 0.0091 0.2422 0.2467 1.3892 1.3975 1.8617 1.8641 1.9410 1.9431 2.2295 2.2325 2.2762 2.2785 2.3759 2.3839 2.5167 2.5270 2.7191 2.7219 3.9289 3.9312 5.9390 5.9514 6.2081 6.2173 7.7417 7.7428 8.0540 8.0665 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k =-0.0114-0.0039 0.0040 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9508 -36.5863 -36.5863 -11.7317 -11.7313 -10.8157 -10.8145 -10.6146 -10.6117 -10.4118 -10.4093 -10.2779 -10.2774 -1.9541 -1.9536 -1.5131 -1.5110 -1.0187 -1.0143 -0.9288 -0.9258 -0.6786 -0.6762 0.0062 0.0092 0.2426 0.2464 1.3893 1.3975 1.8612 1.8638 1.9408 1.9444 2.2246 2.2358 2.2719 2.2833 2.3786 2.3826 2.5181 2.5248 2.7188 2.7218 3.9292 3.9310 5.9395 5.9511 6.2086 6.2170 7.7411 7.7432 8.0544 8.0660 k =-0.0227-0.0079 0.0079 ( 6281 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7303 -11.7295 -10.8164 -10.8140 -10.6150 -10.6091 -10.4123 -10.4071 -10.2778 -10.2770 -1.9536 -1.9525 -1.5135 -1.5093 -1.0257 -1.0167 -0.9340 -0.9281 -0.6839 -0.6793 0.0074 0.0133 0.2435 0.2510 1.3561 1.3721 1.8657 1.8710 1.9407 1.9483 2.2178 2.2387 2.2686 2.2896 2.3801 2.3880 2.5149 2.5280 2.7167 2.7226 3.9299 3.9335 5.9368 5.9600 6.2071 6.2238 7.7401 7.7444 8.0602 8.0831 k =-0.0341-0.0118 0.0119 ( 6283 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7280 -11.7267 -10.8171 -10.8136 -10.6146 -10.6058 -10.4121 -10.4044 -10.2776 -10.2763 -1.9525 -1.9508 -1.5136 -1.5072 -1.0357 -1.0222 -0.9418 -0.9328 -0.6917 -0.6850 0.0102 0.0191 0.2461 0.2574 1.3067 1.3298 1.8715 1.8792 1.9420 1.9539 2.2108 2.2383 2.2682 2.2957 2.3838 2.3951 2.5119 2.5309 2.7142 2.7228 3.9317 3.9370 5.9363 5.9708 6.2076 6.2324 7.7392 7.7454 8.0738 8.1075 k =-0.0455-0.0157 0.0159 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9510 -36.9510 -36.5863 -36.5863 -11.7246 -11.7229 -10.8178 -10.8132 -10.6136 -10.6019 -10.4114 -10.4011 -10.2771 -10.2755 -1.9510 -1.9487 -1.5134 -1.5048 -1.0487 -1.0307 -0.9519 -0.9399 -0.7017 -0.6932 0.0145 0.0262 0.2503 0.2653 1.2440 1.2736 1.8764 1.8860 1.9451 1.9613 2.2037 2.2353 2.2703 2.3011 2.3894 2.4034 2.5095 2.5337 2.7114 2.7226 3.9346 3.9415 5.9381 5.9835 6.2101 6.2428 7.7383 7.7464 8.0950 8.1388 k =-0.0568-0.0197 0.0198 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9512 -36.9511 -36.5863 -36.5863 -11.7202 -11.7181 -10.8186 -10.8129 -10.6120 -10.5973 -10.4100 -10.3973 -10.2765 -10.2744 -1.9490 -1.9459 -1.5131 -1.5022 -1.0644 -1.0421 -0.9644 -0.9492 -0.7134 -0.7035 0.0201 0.0346 0.2559 0.2747 1.1705 1.2060 1.8791 1.8898 1.9499 1.9697 2.1966 2.2307 2.2735 2.3057 2.3965 2.4123 2.5076 2.5361 2.7083 2.7218 3.9385 3.9468 5.9422 5.9981 6.2147 6.2550 7.7374 7.7473 8.1236 8.1765 k =-0.0682-0.0236 0.0238 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9513 -36.9512 -36.5863 -36.5863 -11.7148 -11.7124 -10.8193 -10.8128 -10.6099 -10.5922 -10.4079 -10.3928 -10.2755 -10.2731 -1.9467 -1.9427 -1.5128 -1.4994 -1.0825 -1.0562 -0.9790 -0.9605 -0.7266 -0.7154 0.0266 0.0439 0.2627 0.2852 1.0884 1.1292 1.8792 1.8905 1.9557 1.9783 2.1896 2.2254 2.2771 2.3093 2.4045 2.4210 2.5066 2.5384 2.7050 2.7205 3.9434 3.9531 5.9488 6.0147 6.2216 6.2691 7.7364 7.7479 8.1592 8.2203 k =-0.0795-0.0275 0.0278 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9514 -36.9514 -36.5863 -36.5863 -11.7085 -11.7056 -10.8201 -10.8127 -10.6073 -10.5866 -10.4050 -10.3878 -10.2742 -10.2715 -1.9439 -1.9390 -1.5126 -1.4966 -1.1028 -1.0728 -0.9958 -0.9738 -0.7406 -0.7286 0.0338 0.0538 0.2704 0.2967 0.9992 1.0450 1.8768 1.8886 1.9613 1.9859 2.1826 2.2197 2.2806 2.3121 2.4130 2.4290 2.5065 2.5405 2.7016 2.7187 3.9493 3.9602 5.9580 6.0332 6.2309 6.2852 7.7353 7.7484 8.2013 8.2696 k =-0.0909-0.0314 0.0317 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9516 -36.9515 -36.5862 -36.5862 -11.7013 -11.6980 -10.8208 -10.8127 -10.6043 -10.5807 -10.4014 -10.3822 -10.2726 -10.2696 -1.9409 -1.9348 -1.5129 -1.4940 -1.1247 -1.0916 -1.0145 -0.9889 -0.7552 -0.7426 0.0413 0.0639 0.2788 0.3090 0.9045 0.9550 1.8723 1.8845 1.9659 1.9916 2.1756 2.2138 2.2839 2.3139 2.4214 2.4360 2.5072 2.5427 2.6982 2.7167 3.9562 3.9681 5.9698 6.0536 6.2428 6.3033 7.7340 7.7487 8.2495 8.3238 k =-0.1023-0.0354 0.0357 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9518 -36.9517 -36.5862 -36.5862 -11.6932 -11.6895 -10.8216 -10.8128 -10.6009 -10.5747 -10.3970 -10.3760 -10.2704 -10.2671 -1.9378 -1.9302 -1.5139 -1.4920 -1.1478 -1.1124 -1.0349 -1.0059 -0.7698 -0.7568 0.0484 0.0735 0.2877 0.3217 0.8058 0.8605 1.8657 1.8785 1.9687 1.9950 2.1685 2.2076 2.2869 2.3149 2.4291 2.4417 2.5086 2.5451 2.6950 2.7145 3.9640 3.9766 5.9842 6.0760 6.2573 6.3235 7.7326 7.7487 8.3030 8.3823 k =-0.1136-0.0393 0.0397 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9520 -36.9519 -36.5862 -36.5862 -11.6843 -11.6801 -10.8224 -10.8131 -10.5974 -10.5686 -10.3918 -10.3695 -10.2677 -10.2641 -1.9345 -1.9252 -1.5159 -1.4907 -1.1715 -1.1347 -1.0567 -1.0244 -0.7843 -0.7709 0.0547 0.0819 0.2966 0.3345 0.7049 0.7633 1.8572 1.8710 1.9693 1.9955 2.1614 2.2012 2.2898 2.3152 2.4358 2.4462 2.5103 2.5480 2.6921 2.7123 3.9727 3.9859 6.0014 6.1004 6.2746 6.3459 7.7310 7.7486 8.3612 8.4446 k =-0.1250-0.0432 0.0437 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9522 -36.9521 -36.5862 -36.5862 -11.6746 -11.6700 -10.8232 -10.8134 -10.5937 -10.5626 -10.3857 -10.3626 -10.2643 -10.2601 -1.9313 -1.9199 -1.5194 -1.4905 -1.1955 -1.1583 -1.0795 -1.0441 -0.7983 -0.7845 0.0589 0.0877 0.3051 0.3468 0.6041 0.6651 1.8467 1.8618 1.9674 1.9931 2.1542 2.1945 2.2926 2.3150 2.4411 2.4498 2.5123 2.5513 2.6899 2.7104 3.9822 3.9957 6.0214 6.1267 6.2946 6.3706 7.7292 7.7482 8.4235 8.5101 k =-0.1364-0.0472 0.0476 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9525 -36.9524 -36.5861 -36.5861 -11.6642 -11.6591 -10.8240 -10.8138 -10.5899 -10.5569 -10.3790 -10.3557 -10.2601 -10.2551 -1.9282 -1.9144 -1.5247 -1.4920 -1.2193 -1.1828 -1.1028 -1.0646 -0.8117 -0.7972 0.0593 0.0884 0.3122 0.3569 0.5086 0.5692 1.8343 1.8510 1.9626 1.9876 2.1469 2.1875 2.2952 2.3145 2.4446 2.4528 2.5143 2.5549 2.6883 2.7089 3.9925 4.0062 6.0442 6.1549 6.3176 6.3974 7.7273 7.7476 8.4891 8.5780 k =-0.1477-0.0511 0.0516 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9527 -36.9526 -36.5861 -36.5861 -11.6531 -11.6476 -10.8248 -10.8142 -10.5862 -10.5515 -10.3719 -10.3489 -10.2548 -10.2486 -1.9256 -1.9088 -1.5321 -1.4955 -1.2427 -1.2080 -1.1259 -1.0854 -0.8242 -0.8090 0.0522 0.0791 0.3143 0.3571 0.4326 0.4818 1.8198 1.8384 1.9550 1.9789 2.1395 2.1803 2.2976 2.3138 2.4464 2.4551 2.5164 2.5587 2.6875 2.7079 4.0036 4.0171 6.0698 6.1850 6.3435 6.4265 7.7251 7.7468 8.5574 8.6478 k =-0.1591-0.0550 0.0556 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5971 -36.9530 -36.9529 -36.5860 -36.5860 -11.6413 -11.6354 -10.8256 -10.8148 -10.5825 -10.5466 -10.3645 -10.3425 -10.2482 -10.2403 -1.9236 -1.9032 -1.5420 -1.5016 -1.2657 -1.2335 -1.1480 -1.1058 -0.8358 -0.8196 0.0295 0.0525 0.2968 0.3334 0.4015 0.4228 1.8033 1.8240 1.9444 1.9671 2.1322 2.1729 2.2999 2.3131 2.4468 2.4564 2.5187 2.5624 2.6875 2.7075 4.0153 4.0286 6.0981 6.2170 6.3722 6.4577 7.7229 7.7458 8.6276 8.7190 k =-0.1705-0.0590 0.0595 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9533 -36.9532 -36.5860 -36.5860 -11.6290 -11.6227 -10.8265 -10.8154 -10.5789 -10.5422 -10.3573 -10.3367 -10.2398 -10.2300 -1.9225 -1.8977 -1.5543 -1.5105 -1.2884 -1.2593 -1.1684 -1.1249 -0.8463 -0.8288 -0.0232 0.0058 0.2620 0.3062 0.3817 0.4207 1.7845 1.8076 1.9309 1.9526 2.1249 2.1653 2.3018 2.3125 2.4463 2.4566 2.5212 2.5659 2.6884 2.7078 4.0277 4.0405 6.1291 6.2509 6.4038 6.4911 7.7205 7.7447 8.6992 8.7909 k =-0.1818-0.0629 0.0635 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9536 -36.9534 -36.5860 -36.5860 -11.6162 -11.6094 -10.8273 -10.8161 -10.5755 -10.5383 -10.3506 -10.3316 -10.2295 -10.2177 -1.9226 -1.8926 -1.5690 -1.5225 -1.3115 -1.2855 -1.1862 -1.1422 -0.8556 -0.8367 -0.1059 -0.0617 0.2385 0.2855 0.3810 0.4310 1.7634 1.7890 1.9150 1.9356 2.1178 2.1576 2.3032 2.3124 2.4450 2.4560 2.5238 2.5689 2.6899 2.7086 4.0407 4.0528 6.1628 6.2865 6.4382 6.5266 7.7181 7.7433 8.7715 8.8630 k =-0.1932-0.0668 0.0675 ( 6284 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9539 -36.9538 -36.5859 -36.5859 -11.6029 -11.5957 -10.8282 -10.8168 -10.5723 -10.5349 -10.3447 -10.3273 -10.2170 -10.2032 -1.9244 -1.8879 -1.5856 -1.5376 -1.3351 -1.3121 -1.2009 -1.1571 -0.8637 -0.8432 -0.2046 -0.1476 0.2273 0.2779 0.3871 0.4431 1.7400 1.7678 1.8969 1.9167 2.1111 2.1500 2.3037 2.3128 2.4431 2.4545 2.5264 2.5715 2.6919 2.7100 4.0541 4.0655 6.1989 6.3238 6.4751 6.5640 7.7155 7.7419 8.8440 8.9348 k =-0.2045-0.0707 0.0714 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9542 -36.9541 -36.5859 -36.5859 -11.5892 -11.5816 -10.8291 -10.8175 -10.5693 -10.5320 -10.3399 -10.3238 -10.2021 -10.1868 -1.9283 -1.8842 -1.6035 -1.5553 -1.3595 -1.3391 -1.2126 -1.1694 -0.8706 -0.8482 -0.3104 -0.2444 0.2241 0.2784 0.3955 0.4556 1.7141 1.7439 1.8773 1.8964 2.1046 2.1424 2.3034 2.3136 2.4408 2.4524 2.5287 2.5736 2.6944 2.7118 4.0680 4.0786 6.2373 6.3628 6.5145 6.6032 7.7130 7.7404 8.9161 9.0059 k =-0.2159-0.0747 0.0754 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9545 -36.9544 -36.5858 -36.5858 -11.5753 -11.5673 -10.8301 -10.8183 -10.5665 -10.5296 -10.3361 -10.3211 -10.1849 -10.1685 -1.9348 -1.8816 -1.6222 -1.5753 -1.3845 -1.3662 -1.2214 -1.1794 -0.8763 -0.8520 -0.4184 -0.3462 0.2252 0.2830 0.4046 0.4680 1.6858 1.7172 1.8566 1.8754 2.0985 2.1351 2.3025 2.3145 2.4381 2.4497 2.5307 2.5751 2.6970 2.7138 4.0823 4.0919 6.2780 6.4032 6.5562 6.6441 7.7105 7.7389 8.9873 9.0758 k =-0.2273-0.0786 0.0794 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9548 -36.9547 -36.5858 -36.5858 -11.5610 -11.5527 -10.8310 -10.8192 -10.5639 -10.5275 -10.3332 -10.3189 -10.1656 -10.1486 -1.9444 -1.8806 -1.6411 -1.5968 -1.4102 -1.3927 -1.2280 -1.1873 -0.8811 -0.8545 -0.5260 -0.4492 0.2288 0.2895 0.4142 0.4803 1.6551 1.6875 1.8355 1.8540 2.0929 2.1281 2.3010 2.3153 2.4351 2.4466 2.5323 2.5761 2.6996 2.7159 4.0969 4.1056 6.3206 6.4450 6.5999 6.6865 7.7080 7.7374 9.0573 9.1441 k =-0.2386-0.0825 0.0833 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9552 -36.9550 -36.5858 -36.5858 -11.5466 -11.5379 -10.8319 -10.8201 -10.5615 -10.5259 -10.3311 -10.3174 -10.1446 -10.1272 -1.9574 -1.8818 -1.6602 -1.6188 -1.4370 -1.4174 -1.2331 -1.1936 -0.8861 -0.8564 -0.6305 -0.5508 0.2337 0.2968 0.4240 0.4922 1.6222 1.6551 1.8143 1.8327 2.0878 2.1215 2.2991 2.3157 2.4318 2.4431 2.5333 2.5765 2.7022 2.7180 4.1117 4.1194 6.3651 6.4880 6.6454 6.7302 7.7057 7.7359 9.1256 9.2106 k =-0.2500-0.0865 0.0873 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9555 -36.9554 -36.5857 -36.5857 -11.5321 -11.5230 -10.8329 -10.8210 -10.5592 -10.5246 -10.3297 -10.3163 -10.1219 -10.1047 -1.9740 -1.8857 -1.6798 -1.6402 -1.4648 -1.4396 -1.2372 -1.1990 -0.8943 -0.8591 -0.7277 -0.6476 0.2392 0.3043 0.4339 0.5038 1.5874 1.6203 1.7933 1.8116 2.0832 2.1153 2.2968 2.3157 2.4282 2.4393 2.5338 2.5763 2.7047 2.7200 4.1266 4.1334 6.4111 6.5321 6.6924 6.7750 7.7035 7.7346 9.1919 9.2749 k =-0.2614-0.0904 0.0913 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9558 -36.9557 -36.5857 -36.5857 -11.5175 -11.5082 -10.8338 -10.8220 -10.5572 -10.5235 -10.3288 -10.3157 -10.0980 -10.0811 -1.9943 -1.8929 -1.7007 -1.6598 -1.4929 -1.4590 -1.2409 -1.2037 -0.9171 -0.8697 -0.8039 -0.7328 0.2450 0.3115 0.4438 0.5149 1.5508 1.5835 1.7725 1.7909 2.0792 2.1097 2.2941 2.3152 2.4243 2.4351 2.5337 2.5755 2.7069 2.7218 4.1416 4.1475 6.4585 6.5770 6.7405 6.8206 7.7016 7.7335 9.2561 9.3368 k =-0.2727-0.0943 0.0952 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9562 -36.9560 -36.5856 -36.5856 -11.5029 -11.4933 -10.8348 -10.8230 -10.5553 -10.5228 -10.3284 -10.3155 -10.0731 -10.0566 -2.0181 -1.9041 -1.7232 -1.6773 -1.5209 -1.4758 -1.2445 -1.2084 -0.9745 -0.9097 -0.8330 -0.7886 0.2509 0.3184 0.4537 0.5255 1.5131 1.5453 1.7522 1.7708 2.0758 2.1047 2.2910 2.3142 2.4200 2.4306 2.5330 2.5741 2.7089 2.7234 4.1564 4.1617 6.5068 6.6226 6.7895 6.8668 7.6999 7.7326 9.3177 9.3961 k =-0.2841-0.0983 0.0992 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5974 -36.9565 -36.9564 -36.5856 -36.5856 -11.4885 -11.4786 -10.8357 -10.8240 -10.5536 -10.5222 -10.3283 -10.3156 -10.0474 -10.0315 -2.0450 -1.9198 -1.7469 -1.6933 -1.5483 -1.4903 -1.2484 -1.2135 -1.0517 -0.9776 -0.8366 -0.8071 0.2566 0.3247 0.4636 0.5355 1.4745 1.5061 1.7323 1.7513 2.0732 2.1004 2.2875 2.3127 2.4152 2.4259 2.5317 2.5721 2.7107 2.7247 4.1711 4.1759 6.5560 6.6685 6.8390 6.9132 7.6986 7.7321 9.3768 9.4527 k =-0.2955-0.1022 0.1032 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9568 -36.9567 -36.5855 -36.5855 -11.4741 -11.4641 -10.8367 -10.8250 -10.5520 -10.5218 -10.3285 -10.3160 -10.0211 -10.0060 -2.0747 -1.9404 -1.7712 -1.7087 -1.5749 -1.5031 -1.2534 -1.2200 -1.1277 -1.0522 -0.8334 -0.8083 0.2622 0.3305 0.4733 0.5450 1.4356 1.4665 1.7128 1.7323 2.0713 2.0968 2.2837 2.3107 2.4101 2.4208 2.5299 2.5695 2.7122 2.7257 4.1855 4.1900 6.6057 6.7146 6.8886 6.9596 7.6978 7.7319 9.4332 9.5065 k =-0.3068-0.1061 0.1071 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9571 -36.9570 -36.5855 -36.5855 -11.4600 -11.4499 -10.8376 -10.8261 -10.5505 -10.5216 -10.3289 -10.3166 -9.9946 -9.9802 -2.1068 -1.9664 -1.7954 -1.7248 -1.6008 -1.5153 -1.2612 -1.2332 -1.1910 -1.1209 -0.8268 -0.8035 0.2676 0.3355 0.4827 0.5539 1.3966 1.4269 1.6939 1.7139 2.0703 2.0939 2.2794 2.3081 2.4044 2.4155 2.5276 2.5663 2.7135 2.7265 4.1995 4.2039 6.6555 6.7605 6.9380 7.0057 7.6974 7.7322 9.4867 9.5573 k =-0.3182-0.1100 0.1111 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9574 -36.9573 -36.5855 -36.5855 -11.4461 -11.4360 -10.8385 -10.8272 -10.5491 -10.5216 -10.3294 -10.3175 -9.9679 -9.9544 -2.1409 -1.9976 -1.8190 -1.7422 -1.6263 -1.5285 -1.2806 -1.2675 -1.2205 -1.1742 -0.8181 -0.7960 0.2727 0.3399 0.4918 0.5621 1.3582 1.3878 1.6755 1.6960 2.0700 2.0919 2.2748 2.3050 2.3984 2.4100 2.5249 2.5625 2.7145 2.7271 4.2131 4.2176 6.7051 6.8060 6.9867 7.0510 7.6976 7.7331 9.5375 9.6052 k =-0.3295-0.1140 0.1151 ( 6284 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5975 -36.9577 -36.9576 -36.5854 -36.5854 -11.4326 -11.4225 -10.8394 -10.8283 -10.5478 -10.5217 -10.3301 -10.3185 -9.9414 -9.9288 -2.1767 -2.0340 -1.8416 -1.7611 -1.6518 -1.5449 -1.3233 -1.2980 -1.2333 -1.2035 -0.8081 -0.7870 0.2775 0.3436 0.5006 0.5695 1.3207 1.3496 1.6578 1.6787 2.0705 2.0907 2.2699 2.3014 2.3920 2.4041 2.5218 2.5583 2.7154 2.7274 4.2263 4.2309 6.7543 6.8507 7.0342 7.0952 7.6985 7.7345 9.5854 9.6501 k =-0.3409-0.1179 0.1190 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9580 -36.9579 -36.5854 -36.5854 -11.4196 -11.4095 -10.8402 -10.8295 -10.5466 -10.5219 -10.3309 -10.3197 -9.9153 -9.9035 -2.2137 -2.0750 -1.8632 -1.7813 -1.6776 -1.5669 -1.3605 -1.3311 -1.2417 -1.2162 -0.7972 -0.7772 0.2821 0.3467 0.5088 0.5761 1.2844 1.3127 1.6407 1.6620 2.0718 2.0903 2.2647 2.2973 2.3853 2.3980 2.5185 2.5537 2.7161 2.7275 4.2389 4.2437 6.8026 6.8944 7.0803 7.1380 7.7002 7.7366 9.6304 9.6920 k =-0.3523-0.1218 0.1230 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9582 -36.9581 -36.5853 -36.5853 -11.4070 -11.3971 -10.8410 -10.8307 -10.5454 -10.5222 -10.3318 -10.3210 -9.8897 -9.8787 -2.2517 -2.1198 -1.8836 -1.8025 -1.7033 -1.5955 -1.3865 -1.3596 -1.2470 -1.2232 -0.7857 -0.7669 0.2864 0.3492 0.5165 0.5819 1.2498 1.2773 1.6245 1.6458 2.0740 2.0908 2.2592 2.2927 2.3783 2.3917 2.5150 2.5488 2.7166 2.7274 4.2510 4.2559 6.8498 6.9367 7.1245 7.1788 7.7027 7.7393 9.6725 9.7309 k =-0.3636-0.1258 0.1270 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9585 -36.9584 -36.5853 -36.5853 -11.3949 -11.3853 -10.8418 -10.8319 -10.5443 -10.5227 -10.3327 -10.3225 -9.8649 -9.8548 -2.2900 -2.1674 -1.9026 -1.8240 -1.7285 -1.6292 -1.4026 -1.3804 -1.2507 -1.2284 -0.7739 -0.7564 0.2905 0.3510 0.5235 0.5866 1.2171 1.2439 1.6090 1.6303 2.0769 2.0920 2.2535 2.2877 2.3713 2.3852 2.5115 2.5437 2.7171 2.7271 4.2625 4.2675 6.8956 6.9772 7.1664 7.2173 7.7061 7.7427 9.7119 9.7668 k =-0.3750-0.1297 0.1310 ( 6287 PWs) bands (ev): -77.6103 -77.6103 -47.5976 -47.5976 -36.9587 -36.9586 -36.5853 -36.5853 -11.3835 -11.3742 -10.8425 -10.8331 -10.5432 -10.5232 -10.3336 -10.3239 -9.8411 -9.8318 -2.3282 -2.2164 -1.9201 -1.8455 -1.7524 -1.6649 -1.4114 -1.3943 -1.2534 -1.2326 -0.7622 -0.7460 0.2945 0.3523 0.5298 0.5904 1.1868 1.2127 1.5946 1.6155 2.0806 2.0941 2.2477 2.2822 2.3642 2.3785 2.5081 2.5384 2.7174 2.7268 4.2733 4.2783 6.9395 7.0157 7.2056 7.2532 7.7106 7.7468 9.7484 9.7997 k =-0.3864-0.1336 0.1349 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9590 -36.9589 -36.5853 -36.5853 -11.3727 -11.3639 -10.8431 -10.8342 -10.5422 -10.5237 -10.3345 -10.3255 -9.8185 -9.8101 -2.3656 -2.2655 -1.9361 -1.8665 -1.7746 -1.6999 -1.4157 -1.4029 -1.2555 -1.2363 -0.7507 -0.7358 0.2983 0.3531 0.5354 0.5930 1.1590 1.1838 1.5811 1.6015 2.0849 2.0969 2.2417 2.2763 2.3572 2.3718 2.5048 2.5331 2.7177 2.7263 4.2834 4.2883 6.9813 7.0518 7.2419 7.2859 7.7161 7.7515 9.7821 9.8297 k =-0.3977-0.1376 0.1389 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9592 -36.9591 -36.5852 -36.5852 -11.3626 -11.3544 -10.8437 -10.8354 -10.5411 -10.5244 -10.3353 -10.3270 -9.7973 -9.7897 -2.4017 -2.3134 -1.9506 -1.8866 -1.7947 -1.7326 -1.4172 -1.4077 -1.2570 -1.2395 -0.7396 -0.7261 0.3020 0.3533 0.5403 0.5946 1.1341 1.1575 1.5687 1.5883 2.0898 2.1004 2.2357 2.2700 2.3504 2.3650 2.5018 2.5278 2.7179 2.7257 4.2928 4.2975 7.0206 7.0852 7.2749 7.3153 7.7227 7.7568 9.8131 9.8566 k =-0.4091-0.1415 0.1429 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9594 -36.9593 -36.5852 -36.5852 -11.3534 -11.3458 -10.8441 -10.8366 -10.5401 -10.5251 -10.3361 -10.3285 -9.7777 -9.7709 -2.4357 -2.3592 -1.9633 -1.9056 -1.8127 -1.7620 -1.4172 -1.4099 -1.2580 -1.2423 -0.7290 -0.7170 0.3056 0.3530 0.5446 0.5950 1.1120 1.1339 1.5576 1.5759 2.0951 2.1046 2.2298 2.2633 2.3440 2.3583 2.4992 2.5227 2.7181 2.7251 4.3013 4.3057 7.0572 7.1156 7.3046 7.3412 7.7302 7.7624 9.8412 9.8806 k =-0.4205-0.1454 0.1468 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9595 -36.9595 -36.5852 -36.5852 -11.3450 -11.3381 -10.8445 -10.8377 -10.5391 -10.5258 -10.3367 -10.3300 -9.7598 -9.7539 -2.4670 -2.4018 -1.9743 -1.9233 -1.8283 -1.7877 -1.4164 -1.4104 -1.2585 -1.2447 -0.7193 -0.7087 0.3092 0.3522 0.5484 0.5943 1.0930 1.1131 1.5477 1.5646 2.1008 2.1093 2.2239 2.2562 2.3381 2.3519 2.4969 2.5178 2.7183 2.7245 4.3089 4.3131 7.0907 7.1426 7.3308 7.3633 7.7384 7.7681 9.8665 9.9015 k =-0.4318-0.1493 0.1508 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9597 -36.9596 -36.5852 -36.5852 -11.3375 -11.3314 -10.8448 -10.8388 -10.5381 -10.5266 -10.3373 -10.3314 -9.7439 -9.7389 -2.4950 -2.4405 -1.9835 -1.9394 -1.8418 -1.8097 -1.4150 -1.4100 -1.2587 -1.2468 -0.7104 -0.7013 0.3128 0.3509 0.5517 0.5926 1.0771 1.0950 1.5391 1.5543 2.1066 2.1144 2.2184 2.2489 2.3329 2.3457 2.4950 2.5132 2.7185 2.7238 4.3157 4.3194 7.1209 7.1660 7.3534 7.3817 7.7471 7.7736 9.8889 9.9194 k =-0.4432-0.1533 0.1548 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9598 -36.9597 -36.5852 -36.5852 -11.3310 -11.3258 -10.8449 -10.8399 -10.5371 -10.5275 -10.3377 -10.3327 -9.7301 -9.7259 -2.5191 -2.4748 -1.9908 -1.9539 -1.8529 -1.8282 -1.4135 -1.4092 -1.2586 -1.2486 -0.7026 -0.6949 0.3164 0.3492 0.5548 0.5901 1.0642 1.0797 1.5320 1.5452 2.1124 2.1198 2.2134 2.2413 2.3285 2.3399 2.4937 2.5090 2.7187 2.7232 4.3216 4.3248 7.1476 7.1857 7.3727 7.3965 7.7558 7.7787 9.9084 9.9342 k =-0.4545-0.1572 0.1587 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9599 -36.9599 -36.5851 -36.5851 -11.3255 -11.3212 -10.8450 -10.8409 -10.5361 -10.5284 -10.3379 -10.3339 -9.7186 -9.7152 -2.5388 -2.5041 -1.9962 -1.9666 -1.8617 -1.8432 -1.4119 -1.4083 -1.2581 -1.2501 -0.6959 -0.6898 0.3201 0.3470 0.5578 0.5869 1.0542 1.0670 1.5264 1.5372 2.1180 2.1250 2.2092 2.2337 2.3250 2.3347 2.4928 2.5052 2.7189 2.7225 4.3265 4.3291 7.1704 7.2012 7.3886 7.4077 7.7642 7.7831 9.9250 9.9458 k =-0.4659-0.1611 0.1627 ( 6289 PWs) bands (ev): -77.6103 -77.6103 -47.5977 -47.5977 -36.9599 -36.9599 -36.5851 -36.5851 -11.3210 -11.3178 -10.8449 -10.8418 -10.5351 -10.5293 -10.3380 -10.3350 -9.7094 -9.7068 -2.5537 -2.5281 -1.9996 -1.9774 -1.8682 -1.8550 -1.4104 -1.4076 -1.2575 -1.2515 -0.6904 -0.6858 0.3238 0.3444 0.5608 0.5832 1.0470 1.0569 1.5223 1.5307 2.1232 2.1295 2.2061 2.2262 2.3225 2.3302 2.4925 2.5018 2.7192 2.7219 4.3304 4.3324 7.1893 7.2126 7.4013 7.4157 7.7718 7.7862 9.9386 9.9543 k =-0.4773-0.1651 0.1667 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3177 -11.3154 -10.8447 -10.8426 -10.5341 -10.5302 -10.3380 -10.3359 -9.7026 -9.7009 -2.5634 -2.5466 -2.0010 -1.9862 -1.8723 -1.8639 -1.4091 -1.4072 -1.2567 -1.2527 -0.6862 -0.6832 0.3274 0.3414 0.5640 0.5792 1.0426 1.0492 1.5198 1.5255 2.1278 2.1328 2.2048 2.2192 2.3212 2.3264 2.4927 2.4989 2.7195 2.7213 4.3333 4.3347 7.2040 7.2197 7.4109 7.4206 7.7782 7.7880 9.9491 9.9597 k =-0.4886-0.1690 0.1706 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9601 -36.9600 -36.5851 -36.5851 -11.3154 -11.3143 -10.8443 -10.8433 -10.5331 -10.5312 -10.3377 -10.3367 -9.6983 -9.6975 -2.5677 -2.5594 -2.0004 -1.9930 -1.8741 -1.8699 -1.4081 -1.4071 -1.2558 -1.2538 -0.6834 -0.6819 0.3311 0.3382 0.5675 0.5752 1.0406 1.0440 1.5189 1.5217 2.1315 2.1343 2.2055 2.2131 2.3209 2.3235 2.4935 2.4966 2.7199 2.7208 4.3352 4.3359 7.2145 7.2224 7.4176 7.4225 7.7832 7.7882 9.9565 9.9618 k =-0.5000-0.1729 0.1746 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9601 -36.9601 -36.5851 -36.5851 -11.3143 -11.3143 -10.8438 -10.8438 -10.5321 -10.5321 -10.3373 -10.3373 -9.6966 -9.6966 -2.5664 -2.5664 -1.9977 -1.9977 -1.8733 -1.8733 -1.4074 -1.4074 -1.2549 -1.2549 -0.6819 -0.6819 0.3347 0.3347 0.5712 0.5712 1.0411 1.0411 1.5195 1.5195 2.1338 2.1338 2.2083 2.2083 2.3217 2.3217 2.4948 2.4948 2.7203 2.7203 4.3361 4.3361 7.2207 7.2207 7.4215 7.4215 7.7866 7.7866 9.9607 9.9607 k =-0.5000-0.5198 0.1745 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9601 -36.9601 -36.5851 -36.5851 -11.3156 -11.3156 -10.8418 -10.8418 -10.5479 -10.5479 -10.3219 -10.3219 -9.6964 -9.6964 -2.5618 -2.5618 -1.9582 -1.9582 -1.8583 -1.8583 -1.4103 -1.4103 -1.3072 -1.3072 -0.6985 -0.6985 0.3201 0.3201 0.5518 0.5518 1.0453 1.0453 1.5669 1.5669 2.0668 2.0668 2.2391 2.2391 2.3469 2.3469 2.4768 2.4768 2.7527 2.7527 4.3229 4.3229 7.1967 7.1967 7.4047 7.4047 7.8425 7.8425 10.0357 10.0357 k =-0.4914-0.5108 0.1715 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9601 -36.9600 -36.5851 -36.5851 -11.3159 -11.3152 -10.8423 -10.8417 -10.5494 -10.5463 -10.3231 -10.3210 -9.6976 -9.6968 -2.5636 -2.5572 -1.9610 -1.9537 -1.8597 -1.8556 -1.4110 -1.4086 -1.3088 -1.3058 -0.6998 -0.6977 0.3185 0.3231 0.5486 0.5554 1.0450 1.0469 1.5662 1.5677 2.0625 2.0667 2.2283 2.2437 2.3413 2.3565 2.4748 2.4820 2.7514 2.7551 4.3226 4.3236 7.1923 7.1988 7.4013 7.4066 7.8394 7.8443 10.0344 10.0365 k =-0.4828-0.5019 0.1685 ( 6302 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3161 -11.3147 -10.8432 -10.8419 -10.5509 -10.5448 -10.3246 -10.3206 -9.7003 -9.6987 -2.5625 -2.5496 -1.9621 -1.9474 -1.8596 -1.8514 -1.4106 -1.4059 -1.3108 -1.3047 -0.7014 -0.6973 0.3183 0.3275 0.5458 0.5595 1.0461 1.0497 1.5658 1.5688 2.0539 2.0619 2.2140 2.2404 2.3415 2.3675 2.4760 2.4899 2.7510 2.7584 4.3227 4.3247 7.1857 7.1986 7.3963 7.4069 7.8352 7.8449 10.0327 10.0370 k =-0.4741-0.4929 0.1655 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9600 -36.5851 -36.5851 -11.3163 -11.3142 -10.8445 -10.8425 -10.5523 -10.5432 -10.3266 -10.3205 -9.7045 -9.7021 -2.5585 -2.5391 -1.9614 -1.9393 -1.8581 -1.8458 -1.4093 -1.4021 -1.3129 -1.3040 -0.7035 -0.6974 0.3193 0.3332 0.5433 0.5640 1.0484 1.0538 1.5655 1.5700 2.0412 2.0520 2.1986 2.2310 2.3467 2.3781 2.4804 2.4998 2.7515 2.7625 4.3233 4.3261 7.1767 7.1961 7.3897 7.4057 7.8298 7.8443 10.0305 10.0370 k =-0.4655-0.4839 0.1624 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9600 -36.9599 -36.5851 -36.5851 -11.3165 -11.3137 -10.8461 -10.8435 -10.5536 -10.5416 -10.3288 -10.3208 -9.7102 -9.7069 -2.5516 -2.5257 -1.9590 -1.9297 -1.8552 -1.8388 -1.4068 -1.3974 -1.3153 -1.3035 -0.7058 -0.6979 0.3214 0.3402 0.5411 0.5688 1.0522 1.0593 1.5655 1.5714 2.0243 2.0368 2.1837 2.2184 2.3545 2.3878 2.4872 2.5111 2.7530 2.7674 4.3242 4.3280 7.1656 7.1912 7.3816 7.4028 7.8234 7.8426 10.0279 10.0366 k =-0.4569-0.4750 0.1594 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9599 -36.9599 -36.5851 -36.5851 -11.3166 -11.3131 -10.8481 -10.8449 -10.5549 -10.5402 -10.3313 -10.3214 -9.7173 -9.7133 -2.5420 -2.5095 -1.9551 -1.9186 -1.8509 -1.8305 -1.4033 -1.3917 -1.3177 -1.3031 -0.7083 -0.6986 0.3242 0.3481 0.5392 0.5741 1.0575 1.0663 1.5657 1.5730 2.0034 2.0167 2.1701 2.2052 2.3633 2.3965 2.4958 2.5230 2.7553 2.7730 4.3255 4.3301 7.1522 7.1840 7.3719 7.3982 7.8162 7.8399 10.0248 10.0357 k =-0.4483-0.4660 0.1564 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9598 -36.9598 -36.5851 -36.5851 -11.3166 -11.3125 -10.8504 -10.8466 -10.5562 -10.5388 -10.3341 -10.3223 -9.7259 -9.7210 -2.5298 -2.4906 -1.9496 -1.9061 -1.8452 -1.8208 -1.3987 -1.3849 -1.3200 -1.3029 -0.7107 -0.6996 0.3275 0.3566 0.5376 0.5798 1.0643 1.0747 1.5661 1.5748 1.9790 1.9923 2.1580 2.1928 2.3722 2.4046 2.5053 2.5351 2.7583 2.7791 4.3271 4.3324 7.1366 7.1743 7.3605 7.3919 7.8083 7.8363 10.0210 10.0342 k =-0.4397-0.4570 0.1534 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9597 -36.9597 -36.5852 -36.5852 -11.3167 -11.3120 -10.8530 -10.8487 -10.5573 -10.5375 -10.3370 -10.3234 -9.7358 -9.7300 -2.5150 -2.4691 -1.9427 -1.8923 -1.8382 -1.8099 -1.3929 -1.3772 -1.3222 -1.3026 -0.7131 -0.7006 0.3309 0.3652 0.5364 0.5858 1.0727 1.0846 1.5667 1.5766 1.9515 1.9648 2.1474 2.1817 2.3809 2.4121 2.5149 2.5469 2.7619 2.7854 4.3290 4.3349 7.1188 7.1623 7.3474 7.3837 7.8000 7.8320 10.0167 10.0322 k =-0.4310-0.4481 0.1504 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9597 -36.9596 -36.5852 -36.5852 -11.3169 -11.3115 -10.8559 -10.8511 -10.5585 -10.5364 -10.3401 -10.3248 -9.7470 -9.7403 -2.4978 -2.4450 -1.9346 -1.8775 -1.8298 -1.7978 -1.3861 -1.3685 -1.3241 -1.3022 -0.7151 -0.7015 0.3340 0.3734 0.5359 0.5922 1.0828 1.0962 1.5673 1.5784 1.9219 1.9352 2.1381 2.1720 2.3892 2.4193 2.5242 2.5580 2.7658 2.7920 4.3311 4.3375 7.0989 7.1479 7.3326 7.3735 7.7914 7.8271 10.0116 10.0295 k =-0.4224-0.4391 0.1474 ( 6304 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9596 -36.9595 -36.5852 -36.5852 -11.3171 -11.3111 -10.8590 -10.8538 -10.5596 -10.5355 -10.3433 -10.3263 -9.7594 -9.7519 -2.4783 -2.4185 -1.9253 -1.8619 -1.8201 -1.7845 -1.3780 -1.3590 -1.3254 -1.3014 -0.7167 -0.7021 0.3365 0.3806 0.5363 0.5991 1.0946 1.1093 1.5679 1.5800 1.8912 1.9046 2.1299 2.1636 2.3970 2.4261 2.5329 2.5684 2.7700 2.7985 4.3332 4.3401 7.0769 7.1312 7.3160 7.3611 7.7829 7.8219 10.0057 10.0260 k =-0.4138-0.4302 0.1444 ( 6306 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5977 -36.9594 -36.9594 -36.5852 -36.5852 -11.3174 -11.3109 -10.8624 -10.8567 -10.5607 -10.5349 -10.3464 -10.3280 -9.7730 -9.7645 -2.4567 -2.3899 -1.9148 -1.8456 -1.8093 -1.7702 -1.3689 -1.3489 -1.3258 -1.3001 -0.7176 -0.7024 0.3380 0.3859 0.5380 0.6063 1.1080 1.1239 1.5682 1.5813 1.8604 1.8741 2.1226 2.1565 2.4044 2.4326 2.5409 2.5779 2.7742 2.8047 4.3354 4.3426 7.0529 7.1123 7.2975 7.3464 7.7746 7.8163 9.9988 10.0216 k =-0.4052-0.4212 0.1414 ( 6305 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9593 -36.9592 -36.5852 -36.5852 -11.3179 -11.3109 -10.8660 -10.8599 -10.5618 -10.5345 -10.3495 -10.3298 -9.7877 -9.7782 -2.4331 -2.3592 -1.9034 -1.8289 -1.7973 -1.7549 -1.3588 -1.3393 -1.3240 -1.2979 -0.7178 -0.7021 0.3382 0.3888 0.5415 0.6140 1.1229 1.1399 1.5679 1.5818 1.8306 1.8449 2.1163 2.1505 2.4112 2.4387 2.5481 2.5865 2.7783 2.8106 4.3376 4.3450 7.0271 7.0913 7.2773 7.3294 7.7667 7.8107 9.9907 10.0161 k =-0.3966-0.4122 0.1384 ( 6303 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9592 -36.9591 -36.5853 -36.5853 -11.3186 -11.3111 -10.8698 -10.8633 -10.5629 -10.5345 -10.3525 -10.3316 -9.8033 -9.7929 -2.4078 -2.3267 -1.8911 -1.8119 -1.7843 -1.7388 -1.3478 -1.3329 -1.3174 -1.2944 -0.7170 -0.7012 0.3368 0.3888 0.5469 0.6220 1.1391 1.1573 1.5665 1.5809 1.8031 1.8182 2.1110 2.1455 2.4174 2.4443 2.5545 2.5942 2.7819 2.8159 4.3396 4.3471 6.9995 7.0682 7.2551 7.3100 7.7594 7.8052 9.9813 10.0094 k =-0.3879-0.4033 0.1354 ( 6304 PWs) bands (ev): -77.6104 -77.6104 -47.5977 -47.5976 -36.9590 -36.9589 -36.5853 -36.5853 -11.3197 -11.3117 -10.8737 -10.8669 -10.5640 -10.5347 -10.3553 -10.3333 -9.8198 -9.8084 -2.3810 -2.2926 -1.8779 -1.7950 -1.7704 -1.7217 -1.3370 -1.3292 -1.3060 -1.2887 -0.7151 -0.6993 0.3338 0.3857 0.5540 0.6303 1.1564 1.1757 1.5632 1.5782 1.7792 1.7956 2.1066 2.1415 2.4229 2.4492 2.5602 2.6013 2.7851 2.8205 4.3414 4.3489 6.9703 7.0433 7.2312 7.2882 7.7528 7.7998 9.9704 10.0012 k =-0.3793-0.3943 0.1324 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9588 -36.9588 -36.5853 -36.5853 -11.3211 -11.3126 -10.8777 -10.8705 -10.5651 -10.5353 -10.3579 -10.3351 -9.8371 -9.8246 -2.3529 -2.2572 -1.8640 -1.7783 -1.7559 -1.7038 -1.3296 -1.3231 -1.2926 -1.2798 -0.7120 -0.6966 0.3291 0.3797 0.5625 0.6386 1.1745 1.1949 1.5574 1.5731 1.7603 1.7784 2.1030 2.1383 2.4277 2.4534 2.5652 2.6077 2.7876 2.8243 4.3428 4.3503 6.9397 7.0165 7.2054 7.2641 7.7469 7.7946 9.9577 9.9914 k =-0.3707-0.3854 0.1294 ( 6304 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5976 -36.9587 -36.9586 -36.5853 -36.5853 -11.3229 -11.3140 -10.8817 -10.8742 -10.5662 -10.5361 -10.3603 -10.3367 -9.8551 -9.8416 -2.3237 -2.2210 -1.8494 -1.7619 -1.7410 -1.6849 -1.3259 -1.3139 -1.2776 -1.2672 -0.7077 -0.6928 0.3228 0.3713 0.5720 0.6467 1.1930 1.2144 1.5488 1.5654 1.7474 1.7675 2.1003 2.1360 2.4317 2.4567 2.5698 2.6135 2.7893 2.8272 4.3438 4.3512 6.9078 6.9882 7.1780 7.2377 7.7417 7.7897 9.9430 9.9796 k =-0.3621-0.3764 0.1263 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9585 -36.9584 -36.5853 -36.5853 -11.3252 -11.3160 -10.8858 -10.8779 -10.5673 -10.5372 -10.3625 -10.3382 -9.8737 -9.8591 -2.2936 -2.1841 -1.8342 -1.7459 -1.7259 -1.6651 -1.3223 -1.3054 -1.2603 -1.2515 -0.7019 -0.6879 0.3149 0.3608 0.5818 0.6544 1.2115 1.2339 1.5379 1.5558 1.7410 1.7630 2.0984 2.1345 2.4348 2.4592 2.5740 2.6189 2.7901 2.8293 4.3443 4.3516 6.8747 6.9583 7.1489 7.2092 7.7373 7.7852 9.9261 9.9658 k =-0.3534-0.3674 0.1233 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9583 -36.9582 -36.5854 -36.5853 -11.3281 -11.3185 -10.8897 -10.8814 -10.5684 -10.5386 -10.3644 -10.3396 -9.8928 -9.8771 -2.2630 -2.1471 -1.8185 -1.7305 -1.7109 -1.6441 -1.3183 -1.2975 -1.2402 -1.2336 -0.6949 -0.6819 0.3057 0.3486 0.5916 0.6614 1.2293 1.2526 1.5261 1.5459 1.7406 1.7643 2.0972 2.1337 2.4369 2.4607 2.5778 2.6239 2.7900 2.8304 4.3442 4.3513 6.8407 6.9272 7.1184 7.1788 7.7335 7.7811 9.9066 9.9495 k =-0.3448-0.3585 0.1203 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9581 -36.9580 -36.5854 -36.5854 -11.3316 -11.3217 -10.8935 -10.8849 -10.5694 -10.5401 -10.3660 -10.3409 -9.9123 -9.8955 -2.2320 -2.1103 -1.8024 -1.7157 -1.6957 -1.6222 -1.3137 -1.2897 -1.2181 -1.2133 -0.6865 -0.6747 0.2954 0.3351 0.6009 0.6675 1.2459 1.2698 1.5153 1.5377 1.7454 1.7705 2.0966 2.1336 2.4382 2.4613 2.5814 2.6286 2.7890 2.8306 4.3433 4.3503 6.8058 6.8948 7.0865 7.1467 7.7303 7.7774 9.8845 9.9307 k =-0.3362-0.3495 0.1173 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5976 -47.5975 -36.9579 -36.9578 -36.5854 -36.5854 -11.3358 -11.3257 -10.8972 -10.8881 -10.5705 -10.5418 -10.3674 -10.3420 -9.9321 -9.9142 -2.2009 -2.0743 -1.7860 -1.7020 -1.6800 -1.5995 -1.3086 -1.2817 -1.1953 -1.1892 -0.6769 -0.6666 0.2842 0.3207 0.6095 0.6724 1.2603 1.2848 1.5075 1.5331 1.7543 1.7805 2.0966 2.1342 2.4385 2.4610 2.5847 2.6329 2.7870 2.8298 4.3417 4.3485 6.7703 6.8614 7.0534 7.1131 7.7277 7.7741 9.8595 9.9090 k =-0.3276-0.3405 0.1143 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5975 -36.9577 -36.9576 -36.5854 -36.5854 -11.3409 -11.3305 -10.9005 -10.8910 -10.5715 -10.5435 -10.3686 -10.3429 -9.9521 -9.9331 -2.1700 -2.0395 -1.7694 -1.6894 -1.6634 -1.5763 -1.3030 -1.2734 -1.1721 -1.1615 -0.6663 -0.6573 0.2723 0.3057 0.6171 0.6760 1.2720 1.2969 1.5043 1.5336 1.7665 1.7936 2.0971 2.1352 2.4379 2.4599 2.5877 2.6370 2.7841 2.8281 4.3392 4.3460 6.7344 6.8272 7.0193 7.0782 7.7256 7.7713 9.8314 9.8843 k =-0.3190-0.3316 0.1113 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5975 -36.9574 -36.9573 -36.5855 -36.5855 -11.3467 -11.3361 -10.9035 -10.8936 -10.5724 -10.5452 -10.3697 -10.3438 -9.9722 -9.9522 -2.1394 -2.0064 -1.7529 -1.6780 -1.6457 -1.5528 -1.2968 -1.2648 -1.1473 -1.1310 -0.6548 -0.6470 0.2599 0.2903 0.6238 0.6782 1.2810 1.3060 1.5068 1.5401 1.7814 1.8091 2.0979 2.1367 2.4365 2.4581 2.5905 2.6408 2.7802 2.8256 4.3359 4.3426 6.6980 6.7923 6.9844 7.0423 7.7240 7.7688 9.8000 9.8563 k =-0.3103-0.3226 0.1083 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9572 -36.9571 -36.5855 -36.5855 -11.3534 -11.3427 -10.9061 -10.8958 -10.5734 -10.5468 -10.3706 -10.3445 -9.9923 -9.9712 -2.1093 -1.9753 -1.7363 -1.6676 -1.6270 -1.5296 -1.2901 -1.2558 -1.1205 -1.0984 -0.6429 -0.6352 0.2473 0.2748 0.6293 0.6791 1.2877 1.3124 1.5154 1.5522 1.7984 1.8266 2.0990 2.1385 2.4343 2.4558 2.5929 2.6442 2.7755 2.8223 4.3315 4.3383 6.6615 6.7567 6.9489 7.0056 7.7228 7.7667 9.7654 9.8251 k =-0.3017-0.3137 0.1053 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9570 -36.9569 -36.5855 -36.5855 -11.3611 -11.3502 -10.9083 -10.8975 -10.5742 -10.5483 -10.3714 -10.3452 -10.0123 -9.9903 -2.0801 -1.9465 -1.7199 -1.6577 -1.6073 -1.5070 -1.2827 -1.2465 -1.0917 -1.0642 -0.6309 -0.6217 0.2346 0.2594 0.6338 0.6787 1.2932 1.3173 1.5294 1.5693 1.8170 1.8455 2.1003 2.1405 2.4316 2.4531 2.5948 2.6471 2.7701 2.8183 4.3262 4.3332 6.6249 6.7208 6.9130 6.9682 7.7220 7.7650 9.7273 9.7905 k =-0.2931-0.3047 0.1023 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5975 -47.5974 -36.9567 -36.9566 -36.5856 -36.5856 -11.3696 -11.3587 -10.9100 -10.8988 -10.5750 -10.5496 -10.3722 -10.3459 -10.0321 -10.0091 -2.0518 -1.9204 -1.7037 -1.6480 -1.5870 -1.4854 -1.2746 -1.2369 -1.0608 -1.0289 -0.6185 -0.6062 0.2220 0.2442 0.6372 0.6772 1.2986 1.3220 1.5478 1.5901 1.8369 1.8656 2.1017 2.1427 2.4285 2.4503 2.5962 2.6494 2.7640 2.8136 4.3200 4.3272 6.5884 6.6847 6.8767 6.9304 7.7215 7.7636 9.6859 9.7524 k =-0.2845-0.2957 0.0993 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5974 -36.9565 -36.9564 -36.5856 -36.5856 -11.3791 -11.3681 -10.9111 -10.8995 -10.5758 -10.5507 -10.3728 -10.3466 -10.0516 -10.0278 -2.0247 -1.8971 -1.6877 -1.6384 -1.5663 -1.4650 -1.2656 -1.2269 -1.0283 -0.9935 -0.6053 -0.5884 0.2097 0.2296 0.6396 0.6746 1.3051 1.3279 1.5696 1.6139 1.8577 1.8865 2.1030 2.1449 2.4251 2.4473 2.5969 2.6509 2.7574 2.8084 4.3127 4.3203 6.5521 6.6484 6.8404 6.8924 7.7213 7.7626 9.6412 9.7110 k =-0.2759-0.2868 0.0963 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9562 -36.9561 -36.5856 -36.5856 -11.3894 -11.3784 -10.9117 -10.8997 -10.5765 -10.5516 -10.3735 -10.3474 -10.0707 -10.0461 -1.9990 -1.8767 -1.6720 -1.6285 -1.5453 -1.4462 -1.2557 -1.2166 -0.9949 -0.9593 -0.5906 -0.5675 0.1978 0.2157 0.6409 0.6711 1.3135 1.3358 1.5938 1.6396 1.8791 1.9079 2.1044 2.1470 2.4216 2.4445 2.5970 2.6516 2.7505 2.8026 4.3044 4.3126 6.5161 6.6121 6.8042 6.8544 7.7215 7.7618 9.5933 9.6661 k =-0.2672-0.2778 0.0933 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9560 -36.9559 -36.5856 -36.5856 -11.4006 -11.3896 -10.9117 -10.8994 -10.5773 -10.5522 -10.3742 -10.3482 -10.0893 -10.0641 -1.9748 -1.8590 -1.6567 -1.6180 -1.5242 -1.4291 -1.2448 -1.2058 -0.9618 -0.9275 -0.5732 -0.5426 0.1864 0.2026 0.6412 0.6666 1.3245 1.3464 1.6197 1.6668 1.9008 1.9295 2.1056 2.1491 2.4182 2.4419 2.5962 2.6512 2.7435 2.7964 4.2953 4.3040 6.4805 6.5761 6.7683 6.8165 7.7219 7.7613 9.5422 9.6180 k =-0.2586-0.2689 0.0902 ( 6283 PWs) bands (ev): -77.6104 -77.6104 -47.5974 -47.5973 -36.9557 -36.9556 -36.5857 -36.5857 -11.4126 -11.4016 -10.9112 -10.8985 -10.5780 -10.5525 -10.3749 -10.3493 -10.1074 -10.0816 -1.9525 -1.8441 -1.6420 -1.6067 -1.5031 -1.4135 -1.2329 -1.1945 -0.9306 -0.8997 -0.5517 -0.5125 0.1758 0.1906 0.6403 0.6614 1.3384 1.3602 1.6467 1.6948 1.9226 1.9510 2.1069 2.1510 2.4150 2.4397 2.5946 2.6495 2.7366 2.7899 4.2852 4.2945 6.4453 6.5404 6.7327 6.7791 7.7225 7.7610 9.4882 9.5668 k =-0.2500-0.2599 0.0872 ( 6283 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5973 -36.9555 -36.9554 -36.5857 -36.5857 -11.4253 -11.4144 -10.9102 -10.8971 -10.5787 -10.5525 -10.3756 -10.3506 -10.1247 -10.0987 -1.9320 -1.8318 -1.6281 -1.5945 -1.4821 -1.3993 -1.2201 -1.1826 -0.9033 -0.8769 -0.5247 -0.4763 0.1660 0.1797 0.6382 0.6552 1.3555 1.3773 1.6745 1.7233 1.9442 1.9722 2.1082 2.1529 2.4121 2.4379 2.5921 2.6464 2.7299 2.7830 4.2743 4.2844 6.4107 6.5052 6.6975 6.7422 7.7234 7.7609 9.4314 9.5126 k =-0.2414-0.2509 0.0842 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9552 -36.9551 -36.5857 -36.5857 -11.4387 -11.4279 -10.9087 -10.8953 -10.5795 -10.5524 -10.3764 -10.3522 -10.1413 -10.1151 -1.9137 -1.8220 -1.6151 -1.5813 -1.4611 -1.3862 -1.2065 -1.1700 -0.8815 -0.8596 -0.4909 -0.4336 0.1574 0.1701 0.6348 0.6481 1.3757 1.3978 1.7025 1.7520 1.9652 1.9929 2.1097 2.1547 2.4095 2.4365 2.5887 2.6417 2.7238 2.7759 4.2626 4.2734 6.3768 6.4706 6.6630 6.7061 7.7245 7.7610 9.3721 9.4557 k =-0.2328-0.2420 0.0812 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9550 -36.9549 -36.5858 -36.5858 -11.4527 -11.4419 -10.9067 -10.8930 -10.5803 -10.5520 -10.3773 -10.3542 -10.1569 -10.1309 -1.8976 -1.8145 -1.6029 -1.5674 -1.4400 -1.3737 -1.1924 -1.1568 -0.8662 -0.8475 -0.4495 -0.3848 0.1501 0.1620 0.6299 0.6400 1.3989 1.4215 1.7307 1.7805 1.9855 2.0127 2.1116 2.1566 2.4074 2.4357 2.5844 2.6355 2.7181 2.7686 4.2501 4.2619 6.3435 6.4367 6.6292 6.6710 7.7257 7.7612 9.3106 9.3963 k =-0.2241-0.2330 0.0782 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9548 -36.9546 -36.5858 -36.5858 -11.4671 -11.4564 -10.9043 -10.8902 -10.5811 -10.5515 -10.3784 -10.3565 -10.1716 -10.1459 -1.8838 -1.8093 -1.5914 -1.5531 -1.4190 -1.3614 -1.1782 -1.1430 -0.8571 -0.8400 -0.4011 -0.3307 0.1445 0.1555 0.6236 0.6308 1.4249 1.4482 1.7587 1.8086 2.0047 2.0315 2.1144 2.1589 2.4057 2.4352 2.5793 2.6280 2.7129 2.7610 4.2371 4.2497 6.3111 6.4038 6.5961 6.6369 7.7270 7.7615 9.2470 9.3346 k =-0.2155-0.2240 0.0752 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5973 -47.5972 -36.9545 -36.9544 -36.5858 -36.5858 -11.4819 -11.4713 -10.9015 -10.8871 -10.5821 -10.5509 -10.3796 -10.3591 -10.1853 -10.1602 -1.8725 -1.8060 -1.5805 -1.5388 -1.3979 -1.3486 -1.1640 -1.1285 -0.8532 -0.8363 -0.3466 -0.2727 0.1410 0.1510 0.6157 0.6206 1.4532 1.4773 1.7863 1.8361 2.0224 2.0489 2.1184 2.1617 2.4044 2.4352 2.5735 2.6194 2.7080 2.7532 4.2234 4.2370 6.2795 6.3718 6.5638 6.6041 7.7284 7.7619 9.1817 9.2709 k =-0.2069-0.2151 0.0722 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5972 -36.9543 -36.9541 -36.5859 -36.5859 -11.4969 -11.4865 -10.8984 -10.8837 -10.5831 -10.5503 -10.3810 -10.3621 -10.1978 -10.1736 -1.8635 -1.8047 -1.5700 -1.5248 -1.3769 -1.3349 -1.1502 -1.1137 -0.8529 -0.8357 -0.2878 -0.2124 0.1403 0.1489 0.6062 0.6097 1.4835 1.5085 1.8134 1.8626 2.0381 2.0648 2.1243 2.1655 2.4035 2.4356 2.5670 2.6099 2.7033 2.7452 4.2092 4.2238 6.2489 6.3409 6.5324 6.5726 7.7298 7.7624 9.1151 9.2056 k =-0.1983-0.2061 0.0692 ( 6285 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9540 -36.9539 -36.5859 -36.5859 -11.5121 -11.5019 -10.8950 -10.8800 -10.5842 -10.5498 -10.3828 -10.3652 -10.2091 -10.1862 -1.8569 -1.8051 -1.5600 -1.5116 -1.3562 -1.3198 -1.1371 -1.0988 -0.8546 -0.8372 -0.2265 -0.1519 0.1434 0.1500 0.5950 0.5982 1.5151 1.5409 1.8397 1.8880 2.0513 2.0789 2.1326 2.1704 2.4030 2.4362 2.5600 2.5998 2.6987 2.7369 4.1947 4.2102 6.2193 6.3111 6.5021 6.5427 7.7312 7.7628 9.0473 9.1389 k =-0.1897-0.1972 0.0662 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9538 -36.9537 -36.5860 -36.5860 -11.5274 -11.5174 -10.8914 -10.8760 -10.5854 -10.5494 -10.3850 -10.3685 -10.2194 -10.1978 -1.8527 -1.8073 -1.5504 -1.4994 -1.3360 -1.3029 -1.1251 -1.0839 -0.8573 -0.8397 -0.1654 -0.0943 0.1512 0.1569 0.5826 0.5863 1.5474 1.5741 1.8652 1.9120 2.0620 2.0912 2.1437 2.1769 2.4027 2.4371 2.5526 2.5895 2.6941 2.7284 4.1797 4.1963 6.1907 6.2825 6.4728 6.5142 7.7326 7.7632 8.9789 9.0713 k =-0.1810-0.1882 0.0632 ( 6300 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9536 -36.9535 -36.5860 -36.5860 -11.5427 -11.5328 -10.8876 -10.8718 -10.5867 -10.5493 -10.3878 -10.3716 -10.2285 -10.2083 -1.8505 -1.8109 -1.5412 -1.4884 -1.3161 -1.2843 -1.1142 -1.0696 -0.8598 -0.8420 -0.1078 -0.0440 0.1637 0.1750 0.5697 0.5742 1.5798 1.6072 1.8898 1.9342 2.0704 2.1018 2.1572 2.1849 2.4026 2.4382 2.5451 2.5791 2.6893 2.7197 4.1645 4.1821 6.1634 6.2552 6.4448 6.4872 7.7339 7.7636 8.9101 9.0030 k =-0.1724-0.1792 0.0602 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9534 -36.9532 -36.5860 -36.5860 -11.5578 -11.5482 -10.8836 -10.8675 -10.5882 -10.5495 -10.3911 -10.3743 -10.2367 -10.2178 -1.8503 -1.8159 -1.5327 -1.4788 -1.2965 -1.2643 -1.1047 -1.0561 -0.8612 -0.8433 -0.0580 -0.0052 0.1843 0.2067 0.5574 0.5624 1.6117 1.6394 1.9131 1.9544 2.0772 2.1110 2.1727 2.1945 2.4028 2.4396 2.5375 2.5690 2.6845 2.7107 4.1490 4.1676 6.1373 6.2292 6.4180 6.4618 7.7351 7.7639 8.8415 8.9346 k =-0.1638-0.1703 0.0572 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5972 -47.5971 -36.9531 -36.9530 -36.5860 -36.5860 -11.5728 -11.5634 -10.8795 -10.8631 -10.5899 -10.5500 -10.3949 -10.3767 -10.2440 -10.2262 -1.8519 -1.8220 -1.5248 -1.4707 -1.2770 -1.2433 -1.0966 -1.0440 -0.8609 -0.8427 -0.0203 0.0211 0.2161 0.2504 0.5469 0.5525 1.6425 1.6703 1.9351 1.9723 2.0830 2.1192 2.1896 2.2053 2.4032 2.4411 2.5300 2.5594 2.6795 2.7016 4.1334 4.1530 6.1126 6.2045 6.3927 6.4379 7.7362 7.7641 8.7732 8.8662 k =-0.1552-0.1613 0.0541 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5971 -36.9529 -36.9528 -36.5861 -36.5861 -11.5874 -11.5783 -10.8753 -10.8587 -10.5917 -10.5511 -10.3989 -10.3788 -10.2506 -10.2335 -1.8551 -1.8292 -1.5178 -1.4642 -1.2573 -1.2219 -1.0897 -1.0333 -0.8583 -0.8397 0.0046 0.0377 0.2574 0.2992 0.5404 0.5482 1.6717 1.6990 1.9556 1.9876 2.0884 2.1268 2.2067 2.2176 2.4039 2.4429 2.5229 2.5504 2.6746 2.6926 4.1177 4.1382 6.0892 6.1810 6.3688 6.4155 7.7372 7.7641 8.7059 8.7984 k =-0.1466-0.1523 0.0511 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9527 -36.9526 -36.5861 -36.5861 -11.6017 -11.5928 -10.8710 -10.8542 -10.5936 -10.5527 -10.4030 -10.3807 -10.2565 -10.2397 -1.8595 -1.8373 -1.5117 -1.4594 -1.2375 -1.2005 -1.0836 -1.0242 -0.8533 -0.8341 0.0195 0.0483 0.3002 0.3429 0.5415 0.5563 1.6988 1.7253 1.9742 2.0003 2.0935 2.1341 2.2229 2.2317 2.4048 2.4451 2.5163 2.5422 2.6695 2.6838 4.1020 4.1233 6.0674 6.1589 6.3465 6.3945 7.7380 7.7640 8.6399 8.7316 k =-0.1379-0.1434 0.0481 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9525 -36.9524 -36.5861 -36.5861 -11.6155 -11.6070 -10.8667 -10.8498 -10.5957 -10.5548 -10.4067 -10.3824 -10.2618 -10.2449 -1.8651 -1.8460 -1.5067 -1.4563 -1.2178 -1.1793 -1.0777 -1.0165 -0.8456 -0.8260 0.0282 0.0552 0.3328 0.3713 0.5579 0.5847 1.7235 1.7489 1.9904 2.0103 2.0986 2.1412 2.2368 2.2477 2.4060 2.4477 2.5104 2.5352 2.6641 2.6760 4.0863 4.1084 6.0471 6.1380 6.3259 6.3750 7.7387 7.7638 8.5757 8.6662 k =-0.1293-0.1344 0.0451 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9523 -36.9522 -36.5861 -36.5861 -11.6288 -11.6206 -10.8624 -10.8454 -10.5978 -10.5575 -10.4101 -10.3841 -10.2665 -10.2493 -1.8716 -1.8552 -1.5028 -1.4548 -1.1984 -1.1588 -1.0714 -1.0097 -0.8357 -0.8158 0.0332 0.0596 0.3475 0.3815 0.5956 0.6335 1.7456 1.7696 2.0038 2.0178 2.1038 2.1483 2.2492 2.2641 2.4073 2.4503 2.5057 2.5293 2.6580 2.6700 4.0707 4.0934 6.0284 6.1184 6.3070 6.3568 7.7392 7.7634 8.5137 8.6026 k =-0.1207-0.1255 0.0421 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5971 -47.5970 -36.9521 -36.9520 -36.5862 -36.5862 -11.6415 -11.6337 -10.8582 -10.8412 -10.6001 -10.5608 -10.4130 -10.3857 -10.2706 -10.2530 -1.8787 -1.8647 -1.5001 -1.4550 -1.1796 -1.1391 -1.0643 -1.0033 -0.8239 -0.8041 0.0359 0.0623 0.3471 0.3787 0.6513 0.6955 1.7651 1.7877 2.0132 2.0238 2.1093 2.1553 2.2602 2.2794 2.4090 2.4521 2.5031 2.5249 2.6512 2.6664 4.0553 4.0785 6.0114 6.0999 6.2897 6.3399 7.7396 7.7628 8.4543 8.5410 k =-0.1121-0.1165 0.0391 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9520 -36.9519 -36.5862 -36.5862 -11.6535 -11.6462 -10.8540 -10.8371 -10.6023 -10.5645 -10.4153 -10.3874 -10.2740 -10.2561 -1.8863 -1.8744 -1.4986 -1.4566 -1.1614 -1.1206 -1.0559 -0.9969 -0.8108 -0.7912 0.0370 0.0635 0.3383 0.3689 0.7172 0.7639 1.7819 1.8031 2.0177 2.0290 2.1152 2.1623 2.2696 2.2929 2.4109 2.4515 2.5030 2.5227 2.6447 2.6648 4.0402 4.0636 5.9961 6.0826 6.2743 6.3243 7.7398 7.7621 8.3978 8.4821 k =-0.1034-0.1075 0.0361 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9518 -36.9517 -36.5862 -36.5862 -11.6649 -11.6579 -10.8499 -10.8332 -10.6046 -10.5686 -10.4171 -10.3891 -10.2769 -10.2587 -1.8942 -1.8841 -1.4982 -1.4595 -1.1440 -1.1035 -1.0459 -0.9901 -0.7968 -0.7776 0.0369 0.0636 0.3258 0.3558 0.7879 0.8348 1.7963 1.8163 2.0180 2.0326 2.1217 2.1693 2.2771 2.3040 2.4130 2.4479 2.5032 2.5247 2.6395 2.6652 4.0255 4.0489 5.9825 6.0664 6.2605 6.3099 7.7399 7.7612 8.3448 8.4260 k =-0.0948-0.0986 0.0331 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9516 -36.9516 -36.5862 -36.5862 -11.6755 -11.6690 -10.8458 -10.8296 -10.6068 -10.5730 -10.4183 -10.3908 -10.2791 -10.2610 -1.9021 -1.8936 -1.4986 -1.4635 -1.1275 -1.0878 -1.0346 -0.9828 -0.7824 -0.7638 0.0357 0.0623 0.3119 0.3414 0.8603 0.9062 1.8084 1.8275 2.0155 2.0336 2.1288 2.1762 2.2825 2.3126 2.4152 2.4418 2.5016 2.5312 2.6365 2.6675 4.0113 4.0344 5.9706 6.0512 6.2484 6.2966 7.7399 7.7601 8.2955 8.3730 k =-0.0862-0.0896 0.0301 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9515 -36.9515 -36.5863 -36.5863 -11.6852 -11.6793 -10.8419 -10.8263 -10.6089 -10.5776 -10.4191 -10.3926 -10.2808 -10.2631 -1.9099 -1.9027 -1.4999 -1.4683 -1.1119 -1.0738 -1.0220 -0.9749 -0.7680 -0.7500 0.0335 0.0598 0.2981 0.3269 0.9326 0.9766 1.8184 1.8368 2.0108 2.0316 2.1365 2.1831 2.2861 2.3186 2.4165 2.4346 2.4988 2.5392 2.6367 2.6716 3.9977 4.0203 5.9605 6.0370 6.2380 6.2844 7.7397 7.7588 8.2502 8.3236 k =-0.0776-0.0807 0.0271 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5970 -36.9514 -36.9513 -36.5863 -36.5863 -11.6942 -11.6887 -10.8382 -10.8233 -10.6108 -10.5822 -10.4194 -10.3944 -10.2819 -10.2649 -1.9175 -1.9115 -1.5017 -1.4736 -1.0972 -1.0612 -1.0088 -0.9668 -0.7539 -0.7367 0.0306 0.0561 0.2852 0.3129 1.0034 1.0450 1.8267 1.8445 2.0042 2.0269 2.1448 2.1901 2.2879 2.3222 2.4153 2.4279 2.4960 2.5458 2.6408 2.6773 3.9848 4.0066 5.9520 6.0239 6.2292 6.2733 7.7396 7.7574 8.2093 8.2779 k =-0.0690-0.0717 0.0241 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9513 -36.9512 -36.5863 -36.5863 -11.7022 -11.6974 -10.8346 -10.8207 -10.6126 -10.5868 -10.4194 -10.3963 -10.2826 -10.2666 -1.9246 -1.9196 -1.5039 -1.4793 -1.0834 -1.0501 -0.9955 -0.9585 -0.7403 -0.7242 0.0269 0.0512 0.2738 0.2998 1.0717 1.1105 1.8336 1.8508 1.9962 2.0198 2.1535 2.1972 2.2883 2.3236 2.4099 2.4232 2.4943 2.5495 2.6487 2.6841 3.9729 3.9935 5.9453 6.0116 6.2220 6.2631 7.7394 7.7559 8.1729 8.2360 k =-0.0603-0.0627 0.0211 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9512 -36.9511 -36.5863 -36.5863 -11.7094 -11.7051 -10.8312 -10.8184 -10.6140 -10.5913 -10.4190 -10.3981 -10.2829 -10.2682 -1.9312 -1.9271 -1.5062 -1.4850 -1.0704 -1.0403 -0.9825 -0.9506 -0.7276 -0.7126 0.0229 0.0453 0.2641 0.2880 1.1366 1.1721 1.8391 1.8558 1.9870 2.0107 2.1626 2.2045 2.2873 2.3231 2.4021 2.4187 2.4941 2.5502 2.6594 2.6916 3.9622 3.9811 5.9402 6.0002 6.2163 6.2538 7.7392 7.7543 8.1412 8.1983 k =-0.0517-0.0538 0.0180 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9511 -36.9511 -36.5863 -36.5863 -11.7156 -11.7119 -10.8280 -10.8166 -10.6152 -10.5956 -10.4184 -10.4000 -10.2828 -10.2697 -1.9372 -1.9338 -1.5084 -1.4905 -1.0585 -1.0320 -0.9702 -0.9432 -0.7158 -0.7023 0.0186 0.0387 0.2563 0.2776 1.1972 1.2289 1.8436 1.8597 1.9769 2.0001 2.1720 2.2120 2.2849 2.3208 2.3944 2.4131 2.4955 2.5487 2.6714 2.6993 3.9526 3.9697 5.9366 5.9897 6.2120 6.2454 7.7391 7.7525 8.1145 8.1648 k =-0.0431-0.0448 0.0150 ( 6292 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9510 -36.9510 -36.5863 -36.5863 -11.7209 -11.7177 -10.8251 -10.8152 -10.6160 -10.5995 -10.4175 -10.4019 -10.2824 -10.2711 -1.9423 -1.9397 -1.5104 -1.4957 -1.0476 -1.0251 -0.9590 -0.9368 -0.7052 -0.6935 0.0144 0.0318 0.2503 0.2686 1.2523 1.2800 1.8473 1.8626 1.9667 1.9885 2.1816 2.2197 2.2812 2.3168 2.3876 2.4064 2.4982 2.5457 2.6834 2.7064 3.9445 3.9594 5.9346 5.9800 6.2091 6.2378 7.7390 7.7506 8.0926 8.1357 k =-0.0345-0.0358 0.0120 ( 6293 PWs) bands (ev): -77.6104 -77.6104 -47.5970 -47.5969 -36.9510 -36.9509 -36.5863 -36.5863 -11.7251 -11.7226 -10.8224 -10.8143 -10.6164 -10.6032 -10.4165 -10.4038 -10.2818 -10.2725 -1.9467 -1.9446 -1.5120 -1.5004 -1.0380 -1.0197 -0.9491 -0.9315 -0.6961 -0.6863 0.0108 0.0250 0.2461 0.2610 1.3009 1.3240 1.8502 1.8644 1.9569 1.9767 2.1916 2.2275 2.2763 2.3110 2.3824 2.3994 2.5019 2.5417 2.6945 2.7127 3.9380 3.9503 5.9340 5.9711 6.2074 6.2310 7.7392 7.7488 8.0757 8.1109 k =-0.0259-0.0269 0.0090 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5863 -36.5863 -11.7284 -11.7265 -10.8201 -10.8138 -10.6164 -10.6064 -10.4152 -10.4056 -10.2810 -10.2739 -1.9500 -1.9486 -1.5131 -1.5044 -1.0298 -1.0159 -0.9407 -0.9276 -0.6884 -0.6808 0.0079 0.0187 0.2434 0.2547 1.3417 1.3596 1.8528 1.8650 1.9486 1.9653 2.2016 2.2347 2.2711 2.3037 2.3790 2.3928 2.5063 2.5371 2.7041 2.7175 3.9331 3.9426 5.9348 5.9630 6.2070 6.2250 7.7395 7.7469 8.0637 8.0905 k =-0.0172-0.0179 0.0060 ( 6284 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9508 -36.5863 -36.5863 -11.7306 -11.7293 -10.8181 -10.8138 -10.6159 -10.6092 -10.4139 -10.4074 -10.2800 -10.2752 -1.9524 -1.9515 -1.5135 -1.5078 -1.0232 -1.0138 -0.9340 -0.9253 -0.6824 -0.6772 0.0061 0.0134 0.2422 0.2498 1.3733 1.3856 1.8551 1.8644 1.9428 1.9551 2.2118 2.2392 2.2677 2.2952 2.3775 2.3871 2.5111 2.5320 2.7117 2.7205 3.9301 3.9365 5.9368 5.9559 6.2076 6.2198 7.7401 7.7452 8.0565 8.0746 k =-0.0086-0.0090 0.0030 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7318 -11.7312 -10.8164 -10.8142 -10.6149 -10.6116 -10.4124 -10.4092 -10.2789 -10.2765 -1.9538 -1.9533 -1.5133 -1.5104 -1.0182 -1.0135 -0.9291 -0.9248 -0.6783 -0.6756 0.0057 0.0094 0.2423 0.2461 1.3942 1.4005 1.8576 1.8626 1.9405 1.9471 2.2217 2.2377 2.2700 2.2860 2.3777 2.3826 2.5162 2.5268 2.7172 2.7216 3.9289 3.9322 5.9400 5.9496 6.2093 6.2154 7.7410 7.7435 8.0541 8.0632 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 k = 0.0000 0.0000 0.0128 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7319 -11.7311 -10.8168 -10.8138 -10.6178 -10.6099 -10.4133 -10.4084 -10.2788 -10.2768 -1.9535 -1.9530 -1.5124 -1.5105 -1.0162 -1.0138 -0.9295 -0.9235 -0.6784 -0.6749 0.0059 0.0086 0.2426 0.2458 1.4024 1.4032 1.8581 1.8613 1.9405 1.9427 2.2295 2.2330 2.2765 2.2791 2.3731 2.3844 2.5117 2.5267 2.7189 2.7230 3.9286 3.9333 5.9426 5.9457 6.2089 6.2145 7.7415 7.7433 8.0555 8.0576 k = 0.0000 0.0000 0.0256 ( 6291 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7309 -11.7293 -10.8190 -10.8129 -10.6227 -10.6070 -10.4160 -10.4062 -10.2800 -10.2760 -1.9511 -1.9502 -1.5110 -1.5071 -1.0174 -1.0126 -0.9338 -0.9222 -0.6820 -0.6751 0.0058 0.0113 0.2429 0.2495 1.4001 1.4017 1.8552 1.8614 1.9382 1.9425 2.2292 2.2359 2.2773 2.2822 2.3653 2.3877 2.4980 2.5274 2.7184 2.7259 3.9302 3.9396 5.9406 5.9469 6.2056 6.2168 7.7414 7.7450 8.0551 8.0591 k = 0.0000 0.0000 0.0385 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7289 -11.7265 -10.8215 -10.8125 -10.6282 -10.6048 -10.4187 -10.4041 -10.2812 -10.2754 -1.9471 -1.9457 -1.5081 -1.5023 -1.0187 -1.0117 -0.9387 -0.9220 -0.6865 -0.6765 0.0058 0.0140 0.2451 0.2548 1.3966 1.3988 1.8514 1.8606 1.9352 1.9415 2.2298 2.2390 2.2794 2.2861 2.3564 2.3893 2.4814 2.5240 2.7191 2.7290 3.9344 3.9482 5.9384 5.9478 6.2021 6.2186 7.7418 7.7472 8.0550 8.0610 k = 0.0000 0.0000 0.0513 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7260 -11.7228 -10.8244 -10.8125 -10.6343 -10.6035 -10.4216 -10.4021 -10.2824 -10.2750 -1.9415 -1.9397 -1.5038 -1.4960 -1.0200 -1.0110 -0.9439 -0.9229 -0.6916 -0.6788 0.0052 0.0159 0.2498 0.2625 1.3919 1.3948 1.8468 1.8588 1.9317 1.9398 2.2310 2.2421 2.2819 2.2898 2.3466 2.3882 2.4636 2.5173 2.7211 2.7321 3.9411 3.9590 5.9361 5.9484 6.1984 6.2200 7.7428 7.7497 8.0553 8.0631 k = 0.0000 0.0000 0.0641 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7222 -11.7182 -10.8276 -10.8129 -10.6409 -10.6031 -10.4246 -10.4004 -10.2835 -10.2747 -1.9344 -1.9321 -1.4981 -1.4883 -1.0214 -1.0109 -0.9489 -0.9249 -0.6969 -0.6818 0.0030 0.0160 0.2577 0.2731 1.3861 1.3896 1.8415 1.8560 1.9278 1.9375 2.2323 2.2446 2.2831 2.2927 2.3371 2.3831 2.4479 2.5086 2.7239 2.7353 3.9500 3.9715 5.9336 5.9488 6.1947 6.2209 7.7441 7.7526 8.0558 8.0654 k = 0.0000 0.0000 0.0769 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7175 -11.7128 -10.8312 -10.8137 -10.6479 -10.6036 -10.4276 -10.3989 -10.2843 -10.2746 -1.9259 -1.9232 -1.4912 -1.4794 -1.0230 -1.0113 -0.9531 -0.9279 -0.7019 -0.6850 -0.0015 0.0133 0.2693 0.2868 1.3792 1.3833 1.8354 1.8523 1.9236 1.9347 2.2321 2.2465 2.2790 2.2950 2.3296 2.3731 2.4382 2.4996 2.7274 2.7385 3.9609 3.9856 5.9311 5.9489 6.1909 6.2215 7.7457 7.7557 8.0565 8.0677 k = 0.0000 0.0000 0.0897 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7119 -11.7065 -10.8351 -10.8150 -10.6554 -10.6051 -10.4307 -10.3977 -10.2849 -10.2745 -1.9163 -1.9130 -1.4832 -1.4696 -1.0251 -1.0123 -0.9560 -0.9314 -0.7064 -0.6882 -0.0088 0.0074 0.2848 0.3039 1.3714 1.3760 1.8286 1.8476 1.9194 1.9316 2.2270 2.2485 2.2665 2.2966 2.3242 2.3617 2.4355 2.4918 2.7312 2.7416 3.9734 4.0008 5.9286 5.9488 6.1873 6.2217 7.7477 7.7588 8.0574 8.0700 k = 0.0000 0.0000 0.1026 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7055 -11.6994 -10.8392 -10.8166 -10.6633 -10.6077 -10.4338 -10.3968 -10.2852 -10.2744 -1.9055 -1.9018 -1.4745 -1.4590 -1.0278 -1.0136 -0.9574 -0.9352 -0.7103 -0.6911 -0.0190 -0.0019 0.3038 0.3240 1.3628 1.3678 1.8208 1.8417 1.9153 1.9282 2.2140 2.2436 2.2530 2.2969 2.3201 2.3545 2.4380 2.4865 2.7351 2.7447 3.9873 4.0168 5.9262 5.9485 6.1839 6.2216 7.7497 7.7620 8.0583 8.0722 k = 0.0000 0.0000 0.1154 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6984 -11.6916 -10.8436 -10.8186 -10.6715 -10.6115 -10.4367 -10.3963 -10.2851 -10.2742 -1.8940 -1.8898 -1.4653 -1.4480 -1.0312 -1.0145 -0.9574 -0.9386 -0.7133 -0.6933 -0.0319 -0.0142 0.3258 0.3466 1.3536 1.3588 1.8120 1.8348 1.9112 1.9246 2.1926 2.2161 2.2558 2.2968 2.3179 2.3513 2.4440 2.4847 2.7387 2.7477 4.0022 4.0333 5.9240 5.9480 6.1807 6.2213 7.7518 7.7650 8.0592 8.0741 k = 0.0000 0.0000 0.1282 ( 6281 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6906 -11.6832 -10.8481 -10.8210 -10.6799 -10.6163 -10.4394 -10.3961 -10.2847 -10.2739 -1.8817 -1.8770 -1.4559 -1.4369 -1.0352 -1.0145 -0.9572 -0.9405 -0.7155 -0.6946 -0.0471 -0.0292 0.3500 0.3711 1.3438 1.3493 1.8016 1.8267 1.9073 1.9208 2.1640 2.1845 2.2594 2.2967 2.3173 2.3496 2.4525 2.4863 2.7420 2.7504 4.0179 4.0501 5.9219 5.9474 6.1779 6.2207 7.7539 7.7678 8.0601 8.0757 k = 0.0000 0.0000 0.1410 ( 6286 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6822 -11.6742 -10.8529 -10.8238 -10.6886 -10.6223 -10.4419 -10.3964 -10.2840 -10.2735 -1.8689 -1.8638 -1.4468 -1.4263 -1.0389 -1.0134 -0.9579 -0.9394 -0.7170 -0.6948 -0.0642 -0.0464 0.3755 0.3967 1.3336 1.3392 1.7893 1.8175 1.9034 1.9169 2.1295 2.1533 2.2628 2.2961 2.3178 2.3480 2.4629 2.4910 2.7448 2.7529 4.0340 4.0668 5.9201 5.9467 6.1755 6.2199 7.7559 7.7703 8.0608 8.0770 k = 0.0000 0.0000 0.1538 ( 6277 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6732 -11.6647 -10.8578 -10.8270 -10.6972 -10.6294 -10.4440 -10.3972 -10.2829 -10.2729 -1.8558 -1.8503 -1.4382 -1.4165 -1.0418 -1.0110 -0.9600 -0.9349 -0.7178 -0.6938 -0.0828 -0.0651 0.4016 0.4228 1.3231 1.3289 1.7745 1.8069 1.8996 1.9128 2.0923 2.1238 2.2656 2.2944 2.3197 2.3465 2.4745 2.4981 2.7472 2.7550 4.0504 4.0833 5.9185 5.9459 6.1735 6.2189 7.7577 7.7724 8.0614 8.0779 k = 0.0000 0.0000 0.1667 ( 6273 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6637 -11.6549 -10.8627 -10.8305 -10.7059 -10.6374 -10.4457 -10.3983 -10.2816 -10.2721 -1.8426 -1.8368 -1.4305 -1.4080 -1.0434 -1.0071 -0.9624 -0.9278 -0.7178 -0.6915 -0.1025 -0.0851 0.4275 0.4485 1.3124 1.3185 1.7571 1.7946 1.8956 1.9087 2.0557 2.0962 2.2675 2.2915 2.3227 2.3451 2.4869 2.5068 2.7490 2.7566 4.0668 4.0993 5.9173 5.9451 6.1720 6.2179 7.7594 7.7741 8.0619 8.0784 k = 0.0000 0.0000 0.1795 ( 6265 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6539 -11.6447 -10.8678 -10.8345 -10.7143 -10.6463 -10.4470 -10.3998 -10.2800 -10.2711 -1.8294 -1.8233 -1.4240 -1.4012 -1.0434 -1.0018 -0.9645 -0.9188 -0.7169 -0.6879 -0.1227 -0.1058 0.4527 0.4733 1.3018 1.3080 1.7372 1.7800 1.8911 1.9045 2.0222 2.0707 2.2682 2.2881 2.3262 2.3441 2.4995 2.5165 2.7503 2.7578 4.0829 4.1147 5.9165 5.9442 6.1710 6.2167 7.7607 7.7754 8.0622 8.0785 k = 0.0000 0.0000 0.1923 ( 6264 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6438 -11.6345 -10.8728 -10.8389 -10.7224 -10.6558 -10.4479 -10.4017 -10.2783 -10.2700 -1.8164 -1.8101 -1.4188 -1.3962 -1.0419 -0.9954 -0.9654 -0.9083 -0.7150 -0.6831 -0.1432 -0.1269 0.4763 0.4966 1.2912 1.2977 1.7151 1.7626 1.8858 1.9005 1.9938 2.0477 2.2675 2.2846 2.3298 2.3439 2.5121 2.5267 2.7511 2.7584 4.0986 4.1293 5.9159 5.9433 6.1705 6.2154 7.7618 7.7762 8.0625 8.0783 k = 0.0000 0.0000 0.2051 ( 6260 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6336 -11.6242 -10.8778 -10.8437 -10.7300 -10.6657 -10.4484 -10.4038 -10.2764 -10.2688 -1.8038 -1.7974 -1.4151 -1.3931 -1.0390 -0.9892 -0.9640 -0.8966 -0.7118 -0.6770 -0.1636 -0.1479 0.4980 0.5178 1.2809 1.2877 1.6916 1.7420 1.8795 1.8966 1.9719 2.0273 2.2657 2.2812 2.3333 2.3445 2.5243 2.5370 2.7514 2.7587 4.1138 4.1430 5.9157 5.9423 6.1705 6.2141 7.7627 7.7765 8.0626 8.0778 k = 0.0000 0.0000 0.2179 ( 6261 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6235 -11.6140 -10.8827 -10.8490 -10.7370 -10.6759 -10.4484 -10.4062 -10.2745 -10.2675 -1.7918 -1.7853 -1.4126 -1.3918 -1.0353 -0.9854 -0.9583 -0.8844 -0.7071 -0.6697 -0.1834 -0.1685 0.5172 0.5363 1.2708 1.2779 1.6677 1.7186 1.8727 1.8930 1.9562 2.0095 2.2630 2.2777 2.3364 2.3457 2.5359 2.5471 2.7512 2.7584 4.1283 4.1557 5.9159 5.9414 6.1709 6.2127 7.7633 7.7764 8.0626 8.0770 k = 0.0000 0.0000 0.2308 ( 6261 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6134 -11.6041 -10.8873 -10.8546 -10.7432 -10.6861 -10.4482 -10.4088 -10.2725 -10.2662 -1.7803 -1.7740 -1.4112 -1.3920 -1.0310 -0.9843 -0.9483 -0.8724 -0.7005 -0.6615 -0.2025 -0.1885 0.5335 0.5519 1.2613 1.2685 1.6444 1.6937 1.8661 1.8897 1.9455 1.9938 2.2600 2.2742 2.3392 2.3474 2.5468 2.5568 2.7507 2.7579 4.1419 4.1673 5.9163 5.9403 6.1718 6.2111 7.7636 7.7759 8.0626 8.0760 k = 0.0000 0.0000 0.2436 ( 6262 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6036 -11.5947 -10.8917 -10.8607 -10.7484 -10.6962 -10.4475 -10.4115 -10.2706 -10.2650 -1.7697 -1.7635 -1.4106 -1.3934 -1.0266 -0.9847 -0.9356 -0.8613 -0.6917 -0.6524 -0.2204 -0.2074 0.5469 0.5644 1.2524 1.2595 1.6227 1.6687 1.8605 1.8865 1.9384 1.9802 2.2570 2.2707 2.3418 2.3493 2.5568 2.5659 2.7498 2.7570 4.1545 4.1776 5.9171 5.9393 6.1732 6.2095 7.7639 7.7751 8.0626 8.0748 k = 0.0000 0.0000 0.2564 ( 6258 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5944 -11.5860 -10.8957 -10.8669 -10.7527 -10.7059 -10.4466 -10.4144 -10.2687 -10.2638 -1.7599 -1.7541 -1.4107 -1.3955 -1.0222 -0.9858 -0.9219 -0.8518 -0.6809 -0.6427 -0.2369 -0.2251 0.5572 0.5735 1.2441 1.2509 1.6035 1.6449 1.8561 1.8835 1.9336 1.9682 2.2543 2.2671 2.3441 2.3510 2.5658 2.5743 2.7488 2.7558 4.1661 4.1867 5.9180 5.9382 6.1748 6.2078 7.7640 7.7741 8.0626 8.0735 k = 0.0000 0.0000 0.2692 ( 6260 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5857 -11.5781 -10.8991 -10.8732 -10.7559 -10.7151 -10.4454 -10.4172 -10.2670 -10.2627 -1.7512 -1.7459 -1.4111 -1.3981 -1.0180 -0.9871 -0.9080 -0.8446 -0.6683 -0.6329 -0.2518 -0.2412 0.5647 0.5796 1.2367 1.2429 1.5872 1.6234 1.8530 1.8804 1.9303 1.9579 2.2519 2.2636 2.3461 2.3525 2.5738 2.5816 2.7478 2.7545 4.1765 4.1945 5.9192 5.9371 6.1768 6.2059 7.7640 7.7728 8.0627 8.0722 k = 0.0000 0.0000 0.2820 ( 6270 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5779 -11.5711 -10.9019 -10.8794 -10.7581 -10.7237 -10.4440 -10.4201 -10.2654 -10.2618 -1.7435 -1.7388 -1.4117 -1.4008 -1.0141 -0.9887 -0.8946 -0.8397 -0.6546 -0.6235 -0.2647 -0.2556 0.5698 0.5829 1.2303 1.2356 1.5742 1.6047 1.8513 1.8772 1.9280 1.9490 2.2500 2.2602 2.3480 2.3536 2.5809 2.5879 2.7468 2.7531 4.1856 4.2008 5.9206 5.9358 6.1790 6.2039 7.7640 7.7715 8.0628 8.0708 k = 0.0000 0.0000 0.2948 ( 6273 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5710 -11.5653 -10.9039 -10.8853 -10.7592 -10.7314 -10.4423 -10.4230 -10.2640 -10.2611 -1.7370 -1.7331 -1.4122 -1.4035 -1.0104 -0.9904 -0.8822 -0.8371 -0.6409 -0.6150 -0.2754 -0.2679 0.5729 0.5839 1.2248 1.2292 1.5646 1.5891 1.8508 1.8739 1.9263 1.9417 2.2486 2.2572 2.3497 2.3544 2.5869 2.5929 2.7461 2.7516 4.1935 4.2058 5.9221 5.9345 6.1815 6.2018 7.7641 7.7702 8.0630 8.0695 k = 0.0000 0.0000 0.3077 ( 6271 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5653 -11.5609 -10.9051 -10.8908 -10.7593 -10.7383 -10.4404 -10.4258 -10.2628 -10.2606 -1.7318 -1.7287 -1.4125 -1.4060 -1.0071 -0.9922 -0.8710 -0.8366 -0.6280 -0.6082 -0.2838 -0.2780 0.5748 0.5834 1.2206 1.2239 1.5581 1.5766 1.8515 1.8703 1.9253 1.9358 2.2478 2.2544 2.3511 2.3548 2.5918 2.5967 2.7456 2.7501 4.2000 4.2093 5.9237 5.9331 6.1841 6.1995 7.7643 7.7689 8.0633 8.0682 k = 0.0000 0.0000 0.3205 ( 6273 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5608 -11.5578 -10.9052 -10.8955 -10.7583 -10.7443 -10.4383 -10.4285 -10.2618 -10.2603 -1.7279 -1.7258 -1.4125 -1.4082 -1.0041 -0.9942 -0.8613 -0.8381 -0.6171 -0.6037 -0.2896 -0.2856 0.5760 0.5819 1.2176 1.2198 1.5546 1.5670 1.8532 1.8665 1.9249 1.9314 2.2475 2.2520 2.3523 2.3549 2.5957 2.5991 2.7455 2.7487 4.2052 4.2114 5.9253 5.9317 6.1867 6.1972 7.7646 7.7677 8.0638 8.0671 k = 0.0000 0.0000 0.3333 ( 6268 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5578 -11.5563 -10.9044 -10.8995 -10.7563 -10.7493 -10.4361 -10.4312 -10.2610 -10.2603 -1.7253 -1.7242 -1.4121 -1.4099 -1.0013 -0.9964 -0.8531 -0.8414 -0.6089 -0.6021 -0.2927 -0.2907 0.5772 0.5802 1.2160 1.2171 1.5539 1.5601 1.8558 1.8626 1.9252 1.9282 2.2478 2.2501 2.3533 2.3546 2.5984 2.6001 2.7458 2.7475 4.2089 4.2121 5.9270 5.9302 6.1894 6.1946 7.7651 7.7667 8.0644 8.0660 k = 0.0000 0.0000 0.3461 ( 6266 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5563 -11.5563 -10.9024 -10.9024 -10.7533 -10.7533 -10.4337 -10.4337 -10.2605 -10.2605 -1.7240 -1.7240 -1.4112 -1.4112 -0.9987 -0.9987 -0.8464 -0.8464 -0.6038 -0.6038 -0.2931 -0.2931 0.5785 0.5785 1.2158 1.2158 1.5558 1.5558 1.8590 1.8590 1.9262 1.9262 2.2487 2.2487 2.3541 2.3541 2.5999 2.5999 2.7465 2.7465 4.2112 4.2112 5.9286 5.9286 6.1921 6.1921 7.7658 7.7658 8.0652 8.0652 k = 0.0000-0.3468 0.3460 ( 6308 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5864 -36.5864 -11.3891 -11.3891 -10.9943 -10.9943 -10.7297 -10.7297 -10.5036 -10.5036 -10.3386 -10.3386 -1.8011 -1.8011 -1.5085 -1.5085 -0.9715 -0.9715 -0.7971 -0.7971 -0.3745 -0.3745 0.3752 0.3752 0.6627 0.6627 0.9571 0.9571 1.3351 1.3351 1.4516 1.4516 1.8691 1.8691 2.2258 2.2258 2.4327 2.4327 2.5659 2.5659 2.7066 2.7066 4.3964 4.3964 5.9689 5.9689 6.2225 6.2225 7.4153 7.4153 7.9500 7.9500 k = 0.0000-0.3377 0.3369 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.3909 -11.3888 -10.9953 -10.9927 -10.7305 -10.7285 -10.5056 -10.5012 -10.3412 -10.3358 -1.8009 -1.7996 -1.5106 -1.5072 -0.9734 -0.9699 -0.7990 -0.7954 -0.3795 -0.3738 0.3747 0.3752 0.6612 0.6630 0.9574 0.9583 1.3301 1.3425 1.4472 1.4584 1.8682 1.8706 2.2239 2.2265 2.4320 2.4328 2.5651 2.5670 2.7061 2.7078 4.3933 4.3989 5.9675 5.9700 6.2175 6.2272 7.4143 7.4186 7.9485 7.9522 k = 0.0000-0.3286 0.3278 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.3942 -11.3900 -10.9957 -10.9904 -10.7309 -10.7269 -10.5069 -10.4982 -10.3436 -10.3328 -1.7990 -1.7963 -1.5135 -1.5067 -0.9756 -0.9688 -0.8012 -0.7941 -0.3888 -0.3775 0.3735 0.3745 0.6583 0.6620 0.9591 0.9607 1.3275 1.3521 1.4455 1.4677 1.8678 1.8728 2.2209 2.2259 2.4306 2.4321 2.5647 2.5683 2.7062 2.7096 4.3897 4.4007 5.9658 5.9708 6.2124 6.2317 7.4156 7.4241 7.9477 7.9552 k = 0.0000-0.3195 0.3187 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.3989 -11.3927 -10.9954 -10.9875 -10.7309 -10.7249 -10.5077 -10.4947 -10.3457 -10.3297 -1.7955 -1.7914 -1.5170 -1.5069 -0.9781 -0.9680 -0.8037 -0.7930 -0.4021 -0.3852 0.3716 0.3733 0.6542 0.6596 0.9621 0.9645 1.3275 1.3638 1.4467 1.4793 1.8679 1.8755 2.2166 2.2241 2.4287 2.4308 2.5646 2.5698 2.7070 2.7119 4.3854 4.4017 5.9639 5.9712 6.2072 6.2358 7.4192 7.4317 7.9477 7.9588 k = 0.0000-0.3103 0.3096 ( 6295 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4050 -11.3968 -10.9944 -10.9840 -10.7304 -10.7224 -10.5079 -10.4908 -10.3476 -10.3264 -1.7905 -1.7849 -1.5211 -1.5078 -0.9810 -0.9677 -0.8065 -0.7922 -0.4191 -0.3966 0.3688 0.3712 0.6486 0.6557 0.9666 0.9696 1.3301 1.3770 1.4512 1.4935 1.8685 1.8790 2.2114 2.2211 2.4261 2.4289 2.5648 2.5714 2.7083 2.7148 4.3806 4.4019 5.9617 5.9714 6.2020 6.2396 7.4249 7.4414 7.9484 7.9631 k = 0.0000-0.3012 0.3005 ( 6290 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4122 -11.4024 -10.9927 -10.9800 -10.7296 -10.7196 -10.5076 -10.4866 -10.3491 -10.3229 -1.7841 -1.7769 -1.5258 -1.5093 -0.9842 -0.9678 -0.8098 -0.7917 -0.4394 -0.4114 0.3651 0.3682 0.6416 0.6502 0.9726 0.9759 1.3352 1.3915 1.4597 1.5101 1.8695 1.8831 2.2053 2.2170 2.4230 2.4264 2.5651 2.5730 2.7102 2.7180 4.3752 4.4013 5.9592 5.9712 6.1968 6.2429 7.4328 7.4530 7.9498 7.9679 k = 0.0000-0.2921 0.2914 ( 6284 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4207 -11.4094 -10.9904 -10.9756 -10.7283 -10.7163 -10.5067 -10.4820 -10.3503 -10.3194 -1.7766 -1.7676 -1.5308 -1.5113 -0.9877 -0.9682 -0.8135 -0.7915 -0.4625 -0.4290 0.3601 0.3641 0.6329 0.6428 0.9799 0.9834 1.3430 1.4066 1.4727 1.5293 1.8710 1.8879 2.1984 2.2120 2.4193 2.4234 2.5655 2.5743 2.7125 2.7215 4.3690 4.3996 5.9565 5.9707 6.1918 6.2458 7.4428 7.4664 7.9519 7.9733 k = 0.0000-0.2830 0.2823 ( 6275 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4301 -11.4176 -10.9875 -10.9707 -10.7267 -10.7127 -10.5054 -10.4773 -10.3512 -10.3158 -1.7682 -1.7573 -1.5360 -1.5134 -0.9915 -0.9691 -0.8178 -0.7918 -0.4879 -0.4489 0.3538 0.3588 0.6226 0.6337 0.9886 0.9921 1.3533 1.4220 1.4904 1.5510 1.8731 1.8934 2.1908 2.2061 2.4153 2.4199 2.5659 2.5754 2.7151 2.7251 4.3622 4.3967 5.9536 5.9700 6.1869 6.2483 7.4547 7.4815 7.9547 7.9792 k = 0.0000-0.2738 0.2732 ( 6273 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4406 -11.4269 -10.9840 -10.9653 -10.7247 -10.7088 -10.5037 -10.4724 -10.3517 -10.3122 -1.7593 -1.7462 -1.5410 -1.5156 -0.9956 -0.9703 -0.8227 -0.7927 -0.5150 -0.4704 0.3462 0.3521 0.6106 0.6226 0.9986 1.0020 1.3661 1.4379 1.5125 1.5751 1.8757 1.8997 2.1827 2.1995 2.4107 2.4160 2.5661 2.5760 2.7180 2.7287 4.3545 4.3927 5.9504 5.9689 6.1822 6.2503 7.4683 7.4979 7.9582 7.9855 k = 0.0000-0.2647 0.2641 ( 6267 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4518 -11.4373 -10.9799 -10.9596 -10.7224 -10.7046 -10.5016 -10.4674 -10.3519 -10.3086 -1.7502 -1.7348 -1.5454 -1.5174 -1.0002 -0.9718 -0.8285 -0.7941 -0.5432 -0.4931 0.3371 0.3440 0.5971 0.6098 1.0098 1.0131 1.3813 1.4547 1.5386 1.6014 1.8789 1.9068 2.1742 2.1924 2.4058 2.4117 2.5660 2.5762 2.7208 2.7321 4.3460 4.3873 5.9471 5.9676 6.1778 6.2518 7.4835 7.5156 7.9622 7.9921 k = 0.0000-0.2556 0.2549 ( 6268 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4637 -11.4486 -10.9753 -10.9536 -10.7197 -10.7000 -10.4992 -10.4625 -10.3516 -10.3050 -1.7417 -1.7240 -1.5487 -1.5184 -1.0052 -0.9736 -0.8352 -0.7963 -0.5718 -0.5163 0.3266 0.3344 0.5822 0.5953 1.0222 1.0256 1.3986 1.4728 1.5678 1.6298 1.8830 1.9147 2.1654 2.1847 2.4006 2.4072 2.5655 2.5759 2.7236 2.7352 4.3366 4.3806 5.9436 5.9661 6.1737 6.2528 7.5000 7.5343 7.9668 7.9989 k = 0.0000-0.2464 0.2458 ( 6269 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4763 -11.4607 -10.9703 -10.9473 -10.7168 -10.6952 -10.4964 -10.4577 -10.3509 -10.3014 -1.7343 -1.7144 -1.5502 -1.5180 -1.0107 -0.9757 -0.8429 -0.7995 -0.6000 -0.5394 0.3147 0.3234 0.5660 0.5793 1.0355 1.0393 1.4179 1.4922 1.5997 1.6599 1.8882 1.9235 2.1564 2.1767 2.3950 2.4023 2.5646 2.5749 2.7261 2.7379 4.3262 4.3725 5.9399 5.9644 6.1700 6.2534 7.5177 7.5537 7.9719 8.0060 k = 0.0000-0.2373 0.2367 ( 6269 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.4893 -11.4734 -10.9648 -10.9407 -10.7135 -10.6902 -10.4935 -10.4531 -10.3499 -10.2979 -1.7287 -1.7071 -1.5489 -1.5157 -1.0168 -0.9779 -0.8519 -0.8040 -0.6271 -0.5619 0.3015 0.3109 0.5487 0.5621 1.0498 1.0542 1.4389 1.5129 1.6335 1.6912 1.8948 1.9334 2.1472 2.1685 2.3892 2.3972 2.5632 2.5732 2.7283 2.7400 4.3148 4.3630 5.9363 5.9626 6.1667 6.2536 7.5361 7.5735 7.9774 8.0131 k = 0.0000-0.2282 0.2276 ( 6269 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5028 -11.4867 -10.9589 -10.9339 -10.7100 -10.6850 -10.4903 -10.4487 -10.3484 -10.2945 -1.7255 -1.7030 -1.5443 -1.5111 -1.0235 -0.9803 -0.8623 -0.8102 -0.6521 -0.5834 0.2871 0.2972 0.5307 0.5439 1.0651 1.0703 1.4613 1.5347 1.6690 1.7232 1.9033 1.9444 2.1381 2.1602 2.3832 2.3920 2.5612 2.5709 2.7300 2.7413 4.3023 4.3521 5.9326 5.9608 6.1638 6.2534 7.5550 7.5935 7.9832 8.0203 k = 0.0000-0.2191 0.2185 ( 6267 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5165 -11.5005 -10.9527 -10.9269 -10.7062 -10.6796 -10.4869 -10.4446 -10.3465 -10.2912 -1.7251 -1.7026 -1.5359 -1.5040 -1.0308 -0.9827 -0.8741 -0.8184 -0.6741 -0.6033 0.2717 0.2824 0.5121 0.5250 1.0811 1.0873 1.4848 1.5574 1.7056 1.7552 1.9143 1.9567 2.1292 2.1519 2.3769 2.3866 2.5584 2.5679 2.7310 2.7419 4.2889 4.3397 5.9289 5.9589 6.1614 6.2529 7.5741 7.6133 7.9893 8.0274 k = 0.0000-0.2099 0.2094 ( 6264 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5303 -11.5145 -10.9462 -10.9197 -10.7022 -10.6742 -10.4835 -10.4407 -10.3443 -10.2881 -1.7276 -1.7058 -1.5244 -1.4945 -1.0386 -0.9853 -0.8873 -0.8287 -0.6922 -0.6215 0.2555 0.2666 0.4932 0.5057 1.0980 1.1052 1.5090 1.5804 1.7429 1.7865 1.9285 1.9705 2.1205 2.1438 2.3705 2.3811 2.5549 2.5641 2.7314 2.7416 4.2745 4.3260 5.9254 5.9570 6.1594 6.2521 7.5932 7.6327 7.9955 8.0342 k = 0.0000-0.2008 0.2003 ( 6267 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5443 -11.5287 -10.9395 -10.9125 -10.6980 -10.6687 -10.4799 -10.4371 -10.3417 -10.2852 -1.7328 -1.7121 -1.5104 -1.4831 -1.0467 -0.9880 -0.9018 -0.8409 -0.7062 -0.6378 0.2387 0.2501 0.4742 0.4862 1.1156 1.1238 1.5335 1.6032 1.7804 1.8163 1.9463 1.9858 2.1125 2.1363 2.3640 2.3755 2.5506 2.5596 2.7310 2.7404 4.2590 4.3110 5.9220 5.9553 6.1579 6.2510 7.6119 7.6513 8.0018 8.0408 k = 0.0000-0.1917 0.1912 ( 6266 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5583 -11.5430 -10.9325 -10.9052 -10.6937 -10.6632 -10.4762 -10.4338 -10.3389 -10.2824 -1.7403 -1.7209 -1.4950 -1.4706 -1.0550 -0.9909 -0.9172 -0.8541 -0.7164 -0.6520 0.2214 0.2330 0.4552 0.4667 1.1338 1.1429 1.5581 1.6252 1.8175 1.8447 1.9677 2.0026 2.1056 2.1296 2.3574 2.3698 2.5455 2.5544 2.7297 2.7384 4.2427 4.2947 5.9189 5.9537 6.1568 6.2497 7.6301 7.6691 8.0081 8.0470 k = 0.0000-0.1826 0.1821 ( 6266 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5721 -11.5573 -10.9254 -10.8979 -10.6892 -10.6577 -10.4725 -10.4308 -10.3358 -10.2798 -1.7498 -1.7318 -1.4793 -1.4578 -1.0629 -0.9942 -0.9326 -0.8676 -0.7236 -0.6643 0.2040 0.2158 0.4364 0.4475 1.1524 1.1623 1.5823 1.6460 1.8531 1.8726 1.9914 2.0201 2.1008 2.1248 2.3508 2.3641 2.5394 2.5486 2.7275 2.7356 4.2255 4.2773 5.9162 5.9523 6.1563 6.2483 7.6474 7.6857 8.0142 8.0528 k = 0.0000-0.1734 0.1730 ( 6265 PWs) bands (ev): -77.6103 -77.6103 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5858 -11.5715 -10.9182 -10.8906 -10.6846 -10.6524 -10.4687 -10.4280 -10.3326 -10.2775 -1.7608 -1.7441 -1.4642 -1.4455 -1.0699 -0.9983 -0.9467 -0.8806 -0.7283 -0.6747 0.1866 0.1985 0.4179 0.4286 1.1714 1.1820 1.6057 1.6652 1.8851 1.9024 2.0149 2.0360 2.1005 2.1239 2.3443 2.3584 2.5324 2.5421 2.7244 2.7321 4.2075 4.2588 5.9138 5.9511 6.1562 6.2467 7.6636 7.7010 8.0200 8.0580 k = 0.0000-0.1643 0.1639 ( 6269 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.5992 -11.5854 -10.9108 -10.8834 -10.6799 -10.6472 -10.4649 -10.4254 -10.3293 -10.2754 -1.7730 -1.7575 -1.4508 -1.4346 -1.0754 -1.0036 -0.9583 -0.8928 -0.7312 -0.6834 0.1695 0.1813 0.3999 0.4102 1.1905 1.2017 1.6282 1.6824 1.9128 1.9349 2.0340 2.0469 2.1069 2.1314 2.3380 2.3529 2.5243 2.5350 2.7203 2.7283 4.1888 4.2394 5.9119 5.9501 6.1566 6.2450 7.6787 7.7148 8.0255 8.0625 k = 0.0000-0.1552 0.1548 ( 6275 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6123 -11.5991 -10.9035 -10.8763 -10.6752 -10.6423 -10.4610 -10.4231 -10.3258 -10.2736 -1.7861 -1.7718 -1.4399 -1.4258 -1.0788 -1.0099 -0.9664 -0.9038 -0.7327 -0.6904 0.1527 0.1646 0.3826 0.3925 1.2096 1.2212 1.6495 1.6978 1.9385 1.9671 2.0426 2.0550 2.1202 2.1508 2.3322 2.3477 2.5154 2.5272 2.7154 2.7242 4.1695 4.2192 5.9104 5.9494 6.1574 6.2432 7.6924 7.7270 8.0305 8.0663 k = 0.0000-0.1460 0.1457 ( 6278 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6250 -11.6125 -10.8962 -10.8694 -10.6705 -10.6376 -10.4572 -10.4209 -10.3224 -10.2720 -1.7998 -1.7866 -1.4324 -1.4197 -1.0795 -1.0162 -0.9712 -0.9138 -0.7332 -0.6960 0.1366 0.1484 0.3659 0.3756 1.2286 1.2405 1.6694 1.7115 1.9627 1.9955 2.0438 2.0628 2.1400 2.1778 2.3271 2.3431 2.5056 2.5187 2.7097 2.7200 4.1497 4.1983 5.9095 5.9489 6.1588 6.2415 7.7046 7.7375 8.0350 8.0694 k = 0.0000-0.1369 0.1366 ( 6280 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6372 -11.6254 -10.8889 -10.8627 -10.6658 -10.6331 -10.4534 -10.4189 -10.3190 -10.2706 -1.8139 -1.8018 -1.4287 -1.4164 -1.0776 -1.0214 -0.9734 -0.9225 -0.7327 -0.7000 0.1212 0.1328 0.3500 0.3594 1.2473 1.2593 1.6880 1.7238 1.9832 2.0151 2.0454 2.0755 2.1639 2.2068 2.3235 2.3397 2.4951 2.5097 2.7036 2.7159 4.1296 4.1769 5.9091 5.9487 6.1605 6.2397 7.7152 7.7463 8.0390 8.0718 k = 0.0000-0.1278 0.1275 ( 6283 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6489 -11.6378 -10.8817 -10.8563 -10.6611 -10.6291 -10.4496 -10.4170 -10.3156 -10.2695 -1.8282 -1.8172 -1.4289 -1.4161 -1.0731 -1.0244 -0.9737 -0.9301 -0.7315 -0.7027 0.1065 0.1179 0.3350 0.3442 1.2655 1.2774 1.7053 1.7351 1.9947 2.0234 2.0535 2.0980 2.1890 2.2331 2.3221 2.3391 2.4841 2.5004 2.6973 2.7120 4.1094 4.1551 5.9092 5.9486 6.1627 6.2379 7.7243 7.7533 8.0423 8.0734 k = 0.0000-0.1187 0.1184 ( 6273 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6600 -11.6496 -10.8746 -10.8501 -10.6565 -10.6253 -10.4459 -10.4153 -10.3122 -10.2687 -1.8424 -1.8325 -1.4324 -1.4188 -1.0666 -1.0250 -0.9726 -0.9365 -0.7297 -0.7040 0.0928 0.1039 0.3210 0.3300 1.2830 1.2947 1.7214 1.7458 1.9964 2.0232 2.0721 2.1257 2.2129 2.2527 2.3231 2.3443 2.4728 2.4913 2.6912 2.7086 4.0891 4.1332 5.9099 5.9488 6.1653 6.2361 7.7318 7.7586 8.0450 8.0742 k = 0.0000-0.1095 0.1093 ( 6281 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6705 -11.6608 -10.8678 -10.8443 -10.6520 -10.6220 -10.4422 -10.4138 -10.3090 -10.2681 -1.8565 -1.8476 -1.4385 -1.4242 -1.0591 -1.0236 -0.9705 -0.9413 -0.7274 -0.7039 0.0800 0.0908 0.3081 0.3169 1.2998 1.3110 1.7365 1.7562 1.9931 2.0190 2.0958 2.1543 2.2334 2.2637 2.3257 2.3573 2.4616 2.4834 2.6855 2.7058 4.0691 4.1111 5.9112 5.9491 6.1683 6.2344 7.7377 7.7623 8.0472 8.0744 k = 0.0000-0.1004 0.1002 ( 6283 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.6802 -11.6713 -10.8612 -10.8389 -10.6476 -10.6190 -10.4386 -10.4124 -10.3058 -10.2677 -1.8702 -1.8622 -1.4464 -1.4317 -1.0514 -1.0204 -0.9680 -0.9442 -0.7246 -0.7025 0.0682 0.0785 0.2964 0.3048 1.3156 1.3262 1.7506 1.7667 1.9879 2.0132 2.1207 2.1813 2.2483 2.2695 2.3307 2.3734 2.4509 2.4791 2.6806 2.7038 4.0494 4.0893 5.9129 5.9495 6.1716 6.2328 7.7421 7.7644 8.0489 8.0739 k = 0.0000-0.0913 0.0911 ( 6289 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.6893 -11.6811 -10.8548 -10.8340 -10.6434 -10.6165 -10.4351 -10.4112 -10.3027 -10.2676 -1.8833 -1.8763 -1.4553 -1.4407 -1.0444 -1.0162 -0.9659 -0.9445 -0.7212 -0.7001 0.0573 0.0671 0.2858 0.2939 1.3303 1.3401 1.7640 1.7774 1.9819 2.0069 2.1446 2.2046 2.2567 2.2756 2.3371 2.3859 2.4413 2.4814 2.6767 2.7028 4.0303 4.0678 5.9151 5.9499 6.1751 6.2311 7.7451 7.7650 8.0501 8.0730 k = 0.0000-0.0821 0.0819 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.6975 -11.6902 -10.8488 -10.8295 -10.6393 -10.6144 -10.4317 -10.4102 -10.2997 -10.2677 -1.8957 -1.8896 -1.4647 -1.4506 -1.0386 -1.0117 -0.9641 -0.9421 -0.7173 -0.6968 0.0475 0.0567 0.2765 0.2842 1.3438 1.3527 1.7767 1.7884 1.9756 2.0002 2.1661 2.2222 2.2603 2.2854 2.3421 2.3915 2.4347 2.4914 2.6743 2.7029 4.0121 4.0469 5.9176 5.9503 6.1789 6.2295 7.7468 7.7643 8.0510 8.0717 k = 0.0000-0.0730 0.0728 ( 6298 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7049 -11.6984 -10.8431 -10.8255 -10.6355 -10.6127 -10.4285 -10.4094 -10.2968 -10.2681 -1.9073 -1.9020 -1.4740 -1.4608 -1.0341 -1.0080 -0.9619 -0.9382 -0.7127 -0.6930 0.0387 0.0471 0.2685 0.2756 1.3561 1.3639 1.7888 1.7998 1.9692 1.9933 2.1837 2.2333 2.2628 2.2984 2.3429 2.3902 2.4345 2.5056 2.6738 2.7043 3.9950 4.0268 5.9205 5.9507 6.1828 6.2279 7.7475 7.7627 8.0516 8.0700 k = 0.0000-0.0639 0.0637 ( 6296 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7115 -11.7058 -10.8379 -10.8221 -10.6318 -10.6114 -10.4255 -10.4087 -10.2940 -10.2686 -1.9179 -1.9134 -1.4828 -1.4708 -1.0305 -1.0058 -0.9584 -0.9338 -0.7076 -0.6889 0.0309 0.0385 0.2616 0.2682 1.3669 1.3737 1.8005 1.8112 1.9630 1.9863 2.1965 2.2394 2.2669 2.3108 2.3410 2.3845 2.4412 2.5198 2.6756 2.7068 3.9792 4.0079 5.9236 5.9508 6.1868 6.2263 7.7473 7.7602 8.0521 8.0682 k = 0.0000-0.0548 0.0546 ( 6301 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9509 -36.9509 -36.5864 -36.5864 -11.7172 -11.7123 -10.8330 -10.8192 -10.6284 -10.6106 -10.4226 -10.4083 -10.2914 -10.2694 -1.9273 -1.9236 -1.4909 -1.4803 -1.0276 -1.0052 -0.9536 -0.9298 -0.7022 -0.6849 0.0241 0.0308 0.2560 0.2618 1.3764 1.3821 1.8118 1.8225 1.9570 1.9793 2.2046 2.2419 2.2727 2.3165 2.3410 2.3793 2.4516 2.5311 2.6799 2.7101 3.9651 3.9904 5.9268 5.9508 6.1908 6.2247 7.7464 7.7572 8.0524 8.0662 k = 0.0000-0.0456 0.0455 ( 6299 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7221 -11.7180 -10.8287 -10.8170 -10.6252 -10.6101 -10.4200 -10.4081 -10.2888 -10.2703 -1.9355 -1.9324 -1.4978 -1.4888 -1.0252 -1.0058 -0.9482 -0.9265 -0.6966 -0.6812 0.0184 0.0241 0.2515 0.2565 1.3844 1.3891 1.8227 1.8334 1.9514 1.9722 2.2098 2.2425 2.2768 2.3143 2.3442 2.3785 2.4634 2.5383 2.6864 2.7139 3.9530 3.9745 5.9300 5.9506 6.1948 6.2230 7.7452 7.7539 8.0528 8.0643 k = 0.0000-0.0365 0.0364 ( 6297 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7260 -11.7227 -10.8248 -10.8153 -10.6223 -10.6101 -10.4177 -10.4082 -10.2863 -10.2715 -1.9423 -1.9399 -1.5036 -1.4963 -1.0230 -1.0072 -0.9427 -0.9242 -0.6912 -0.6782 0.0138 0.0185 0.2480 0.2522 1.3910 1.3946 1.8330 1.8432 1.9465 1.9652 2.2136 2.2424 2.2767 2.3085 2.3489 2.3816 2.4757 2.5413 2.6944 2.7177 3.9431 3.9607 5.9333 5.9500 6.1986 6.2211 7.7439 7.7507 8.0532 8.0624 k = 0.0000-0.0274 0.0273 ( 6294 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5864 -36.5864 -11.7289 -11.7264 -10.8215 -10.8143 -10.6196 -10.6104 -10.4156 -10.4085 -10.2840 -10.2728 -1.9476 -1.9458 -1.5080 -1.5025 -1.0209 -1.0090 -0.9375 -0.9230 -0.6861 -0.6760 0.0103 0.0138 0.2456 0.2488 1.3962 1.3988 1.8423 1.8515 1.9425 1.9583 2.2172 2.2416 2.2739 2.3005 2.3561 2.3847 2.4881 2.5404 2.7027 2.7207 3.9356 3.9490 5.9364 5.9491 6.2023 6.2192 7.7427 7.7477 8.0538 8.0607 k = 0.0000-0.0183 0.0182 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7309 -11.7293 -10.8188 -10.8139 -10.6173 -10.6111 -10.4137 -10.4090 -10.2818 -10.2743 -1.9514 -1.9502 -1.5110 -1.5072 -1.0189 -1.0109 -0.9328 -0.9230 -0.6818 -0.6748 0.0080 0.0103 0.2441 0.2463 1.4000 1.4017 1.8504 1.8576 1.9402 1.9518 2.2212 2.2395 2.2720 2.2918 2.3647 2.3857 2.5001 2.5364 2.7103 2.7225 3.9308 3.9398 5.9393 5.9479 6.2058 6.2170 7.7419 7.7452 8.0545 8.0590 k = 0.0000-0.0091 0.0091 ( 6288 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7319 -11.7311 -10.8166 -10.8142 -10.6152 -10.6121 -10.4121 -10.4098 -10.2797 -10.2759 -1.9536 -1.9530 -1.5124 -1.5105 -1.0169 -1.0129 -0.9290 -0.9240 -0.6783 -0.6748 0.0068 0.0080 0.2434 0.2445 1.4024 1.4032 1.8566 1.8606 1.9399 1.9462 2.2258 2.2357 2.2729 2.2837 2.3728 2.3839 2.5114 2.5300 2.7164 2.7225 3.9288 3.9333 5.9420 5.9463 6.2090 6.2146 7.7417 7.7433 8.0553 8.0576 k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev): -77.6104 -77.6104 -47.5969 -47.5969 -36.9508 -36.9508 -36.5863 -36.5863 -11.7320 -11.7320 -10.8151 -10.8151 -10.6135 -10.6135 -10.4108 -10.4108 -10.2777 -10.2777 -1.9541 -1.9541 -1.5122 -1.5122 -1.0149 -1.0149 -0.9260 -0.9260 -0.6760 -0.6760 0.0068 0.0068 0.2436 0.2436 1.4035 1.4035 1.8602 1.8602 1.9420 1.9420 2.2308 2.2308 2.2771 2.2771 2.3794 2.3794 2.5214 2.5214 2.7206 2.7206 3.9296 3.9296 5.9443 5.9443 6.2119 6.2119 7.7421 7.7421 8.0564 8.0564 Writing output data file ReNCl4.save init_run : 4.15s CPU 12.43s WALL ( 1 calls) electrons : 570.30s CPU 576.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 570.25s CPU 575.90s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.02s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.12s CPU 0.62s WALL ( 1 calls) newd : 0.48s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.26s WALL ( 289 calls) cegterg : 526.74s CPU 529.74s WALL ( 289 calls) Called by sum_band: Called by *egterg: h_psi : 281.78s CPU 286.47s WALL ( 5949 calls) s_psi : 32.86s CPU 33.03s WALL ( 5949 calls) g_psi : 0.69s CPU 0.71s WALL ( 5371 calls) cdiaghg : 146.58s CPU 145.40s WALL ( 5660 calls) cegterg:over : 49.18s CPU 47.65s WALL ( 5371 calls) cegterg:upda : 13.44s CPU 15.04s WALL ( 5371 calls) cegterg:last : 12.14s CPU 12.56s WALL ( 1156 calls) Called by h_psi: h_psi:vloc : 220.61s CPU 223.68s WALL ( 5949 calls) h_psi:vnl : 60.90s CPU 62.12s WALL ( 5949 calls) add_vuspsi : 23.79s CPU 25.85s WALL ( 5949 calls) General routines calbec : 37.07s CPU 36.19s WALL ( 5949 calls) fft : 0.34s CPU 1.60s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 210.81s CPU 212.11s WALL ( 835408 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.05s CPU 2.00s WALL ( 578 calls) Parallel routines fft_scatter : 127.50s CPU 126.75s WALL ( 835431 calls) PWSCF : 10m34.81s CPU 13m 9.64s WALL This run was terminated on: 0:14:19 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=