Program PWSCF v.5.1.1 starts on 21Jun2015 at 5:44:31 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: ./HgI2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 17 5 4868 1279 197 Max 43 18 6 4889 1324 207 Sum 2049 859 247 234223 62415 9721 bravais-lattice index = 14 lattice parameter (alat) = 8.3096 a.u. unit-cell volume = 1635.6633 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.309608 celldm(2)= 1.000000 celldm(3)= 3.154695 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.428295 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.428295 0.903639 0.000000 ) a(3) = ( 0.000000 0.000000 3.154695 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.473967 -0.000000 ) b(2) = ( 0.000000 1.106637 -0.000000 ) b(3) = ( 0.000000 0.000000 0.316988 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5773475 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0074483 0.0117727 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0148965 0.0235455 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0223448 0.0353182 -0.0000000), wk = 0.0029940 k( 5) = ( 0.0297930 0.0470909 -0.0000000), wk = 0.0029940 k( 6) = ( 0.0372412 0.0588637 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0446895 0.0706364 -0.0000000), wk = 0.0029940 k( 8) = ( 0.0521377 0.0824091 -0.0000000), wk = 0.0029940 k( 9) = ( 0.0595860 0.0941819 -0.0000000), wk = 0.0029940 k( 10) = ( 0.0670342 0.1059546 -0.0000000), wk = 0.0029940 k( 11) = ( 0.0744825 0.1177273 -0.0000000), wk = 0.0029940 k( 12) = ( 0.0819307 0.1295000 -0.0000000), wk = 0.0029940 k( 13) = ( 0.0893790 0.1412728 -0.0000000), wk = 0.0029940 k( 14) = ( 0.0968272 0.1530455 -0.0000000), wk = 0.0029940 k( 15) = ( 0.1042755 0.1648182 -0.0000000), wk = 0.0029940 k( 16) = ( 0.1117237 0.1765910 -0.0000000), wk = 0.0029940 k( 17) = ( 0.1191720 0.1883637 -0.0000000), wk = 0.0029940 k( 18) = ( 0.1266202 0.2001364 -0.0000000), wk = 0.0029940 k( 19) = ( 0.1340685 0.2119092 -0.0000000), wk = 0.0029940 k( 20) = ( 0.1415167 0.2236819 -0.0000000), wk = 0.0029940 k( 21) = ( 0.1489650 0.2354546 -0.0000000), wk = 0.0029940 k( 22) = ( 0.1564132 0.2472274 -0.0000000), wk = 0.0029940 k( 23) = ( 0.1638615 0.2590001 -0.0000000), wk = 0.0029940 k( 24) = ( 0.1713097 0.2707728 -0.0000000), wk = 0.0029940 k( 25) = ( 0.1787580 0.2825456 -0.0000000), wk = 0.0029940 k( 26) = ( 0.1862062 0.2943183 -0.0000000), wk = 0.0029940 k( 27) = ( 0.1936545 0.3060910 -0.0000000), wk = 0.0029940 k( 28) = ( 0.2011027 0.3178637 -0.0000000), wk = 0.0029940 k( 29) = ( 0.2085510 0.3296365 -0.0000000), wk = 0.0029940 k( 30) = ( 0.2159992 0.3414092 -0.0000000), wk = 0.0029940 k( 31) = ( 0.2234475 0.3531819 -0.0000000), wk = 0.0029940 k( 32) = ( 0.2308957 0.3649547 -0.0000000), wk = 0.0029940 k( 33) = ( 0.2383440 0.3767274 -0.0000000), wk = 0.0029940 k( 34) = ( 0.2457922 0.3885001 -0.0000000), wk = 0.0029940 k( 35) = ( 0.2532405 0.4002729 -0.0000000), wk = 0.0029940 k( 36) = ( 0.2606887 0.4120456 -0.0000000), wk = 0.0029940 k( 37) = ( 0.2681369 0.4238183 -0.0000000), wk = 0.0029940 k( 38) = ( 0.2755852 0.4355911 -0.0000000), wk = 0.0029940 k( 39) = ( 0.2830335 0.4473638 -0.0000000), wk = 0.0029940 k( 40) = ( 0.2904817 0.4591365 -0.0000000), wk = 0.0029940 k( 41) = ( 0.2979299 0.4709093 -0.0000000), wk = 0.0029940 k( 42) = ( 0.3053782 0.4826820 -0.0000000), wk = 0.0029940 k( 43) = ( 0.3128264 0.4944547 -0.0000000), wk = 0.0029940 k( 44) = ( 0.3202747 0.5062275 -0.0000000), wk = 0.0029940 k( 45) = ( 0.3277229 0.5180002 -0.0000000), wk = 0.0029940 k( 46) = ( 0.3351712 0.5297729 -0.0000000), wk = 0.0029940 k( 47) = ( 0.3426194 0.5415457 -0.0000000), wk = 0.0029940 k( 48) = ( 0.3500677 0.5533184 -0.0000000), wk = 0.0029940 k( 49) = ( 0.3500677 0.5533184 -0.0000000), wk = 0.0029940 k( 50) = ( 0.3366035 0.5533184 -0.0000000), wk = 0.0029940 k( 51) = ( 0.3231394 0.5533184 -0.0000000), wk = 0.0029940 k( 52) = ( 0.3096753 0.5533184 -0.0000000), wk = 0.0029940 k( 53) = ( 0.2962111 0.5533184 -0.0000000), wk = 0.0029940 k( 54) = ( 0.2827470 0.5533184 -0.0000000), wk = 0.0029940 k( 55) = ( 0.2692828 0.5533184 -0.0000000), wk = 0.0029940 k( 56) = ( 0.2558187 0.5533184 -0.0000000), wk = 0.0029940 k( 57) = ( 0.2423546 0.5533184 -0.0000000), wk = 0.0029940 k( 58) = ( 0.2288904 0.5533184 -0.0000000), wk = 0.0029940 k( 59) = ( 0.2154263 0.5533184 -0.0000000), wk = 0.0029940 k( 60) = ( 0.2019621 0.5533184 -0.0000000), wk = 0.0029940 k( 61) = ( 0.1884980 0.5533184 -0.0000000), wk = 0.0029940 k( 62) = ( 0.1750338 0.5533184 -0.0000000), wk = 0.0029940 k( 63) = ( 0.1615697 0.5533184 -0.0000000), wk = 0.0029940 k( 64) = ( 0.1481056 0.5533184 -0.0000000), wk = 0.0029940 k( 65) = ( 0.1346414 0.5533184 -0.0000000), wk = 0.0029940 k( 66) = ( 0.1211773 0.5533184 -0.0000000), wk = 0.0029940 k( 67) = ( 0.1077131 0.5533184 -0.0000000), wk = 0.0029940 k( 68) = ( 0.0942490 0.5533184 -0.0000000), wk = 0.0029940 k( 69) = ( 0.0807849 0.5533184 -0.0000000), wk = 0.0029940 k( 70) = ( 0.0673207 0.5533184 -0.0000000), wk = 0.0029940 k( 71) = ( 0.0538566 0.5533184 -0.0000000), wk = 0.0029940 k( 72) = ( 0.0403924 0.5533184 -0.0000000), wk = 0.0029940 k( 73) = ( 0.0269283 0.5533184 -0.0000000), wk = 0.0029940 k( 74) = ( 0.0134641 0.5533184 -0.0000000), wk = 0.0029940 k( 75) = ( 0.0000000 0.5533184 -0.0000000), wk = 0.0029940 k( 76) = ( 0.0000000 0.5533184 -0.0000000), wk = 0.0029940 k( 77) = ( 0.0000000 0.5533184 0.0132078), wk = 0.0029940 k( 78) = ( 0.0000000 0.5533184 0.0264157), wk = 0.0029940 k( 79) = ( 0.0000000 0.5533184 0.0396235), wk = 0.0029940 k( 80) = ( 0.0000000 0.5533184 0.0528313), wk = 0.0029940 k( 81) = ( 0.0000000 0.5533184 0.0660391), wk = 0.0029940 k( 82) = ( 0.0000000 0.5533184 0.0792470), wk = 0.0029940 k( 83) = ( 0.0000000 0.5533184 0.0924548), wk = 0.0029940 k( 84) = ( 0.0000000 0.5533184 0.1056626), wk = 0.0029940 k( 85) = ( 0.0000000 0.5533184 0.1188704), wk = 0.0029940 k( 86) = ( 0.0000000 0.5533184 0.1320783), wk = 0.0029940 k( 87) = ( 0.0000000 0.5533184 0.1452861), wk = 0.0029940 k( 88) = ( 0.0000000 0.5533184 0.1584939), wk = 0.0029940 k( 89) = ( 0.0000000 0.5533184 0.1584939), wk = 0.0029940 k( 90) = ( 0.0134641 0.5533184 0.1584939), wk = 0.0029940 k( 91) = ( 0.0269283 0.5533184 0.1584939), wk = 0.0029940 k( 92) = ( 0.0403924 0.5533184 0.1584939), wk = 0.0029940 k( 93) = ( 0.0538566 0.5533184 0.1584939), wk = 0.0029940 k( 94) = ( 0.0673207 0.5533184 0.1584939), wk = 0.0029940 k( 95) = ( 0.0807849 0.5533184 0.1584939), wk = 0.0029940 k( 96) = ( 0.0942490 0.5533184 0.1584939), wk = 0.0029940 k( 97) = ( 0.1077131 0.5533184 0.1584939), wk = 0.0029940 k( 98) = ( 0.1211773 0.5533184 0.1584939), wk = 0.0029940 k( 99) = ( 0.1346414 0.5533184 0.1584939), wk = 0.0029940 k( 100) = ( 0.1481056 0.5533184 0.1584939), wk = 0.0029940 k( 101) = ( 0.1615697 0.5533184 0.1584939), wk = 0.0029940 k( 102) = ( 0.1750338 0.5533184 0.1584939), wk = 0.0029940 k( 103) = ( 0.1884980 0.5533184 0.1584939), wk = 0.0029940 k( 104) = ( 0.2019621 0.5533184 0.1584939), wk = 0.0029940 k( 105) = ( 0.2154263 0.5533184 0.1584939), wk = 0.0029940 k( 106) = ( 0.2288904 0.5533184 0.1584939), wk = 0.0029940 k( 107) = ( 0.2423546 0.5533184 0.1584939), wk = 0.0029940 k( 108) = ( 0.2558187 0.5533184 0.1584939), wk = 0.0029940 k( 109) = ( 0.2692828 0.5533184 0.1584939), wk = 0.0029940 k( 110) = ( 0.2827470 0.5533184 0.1584939), wk = 0.0029940 k( 111) = ( 0.2962111 0.5533184 0.1584939), wk = 0.0029940 k( 112) = ( 0.3096753 0.5533184 0.1584939), wk = 0.0029940 k( 113) = ( 0.3231394 0.5533184 0.1584939), wk = 0.0029940 k( 114) = ( 0.3366035 0.5533184 0.1584939), wk = 0.0029940 k( 115) = ( 0.3500677 0.5533184 0.1584939), wk = 0.0029940 k( 116) = ( 0.3500677 0.5533184 0.1584939), wk = 0.0029940 k( 117) = ( 0.3426194 0.5415457 0.1584939), wk = 0.0029940 k( 118) = ( 0.3351712 0.5297729 0.1584939), wk = 0.0029940 k( 119) = ( 0.3277229 0.5180002 0.1584939), wk = 0.0029940 k( 120) = ( 0.3202747 0.5062275 0.1584939), wk = 0.0029940 k( 121) = ( 0.3128264 0.4944547 0.1584939), wk = 0.0029940 k( 122) = ( 0.3053782 0.4826820 0.1584939), wk = 0.0029940 k( 123) = ( 0.2979299 0.4709093 0.1584939), wk = 0.0029940 k( 124) = ( 0.2904817 0.4591365 0.1584939), wk = 0.0029940 k( 125) = ( 0.2830335 0.4473638 0.1584939), wk = 0.0029940 k( 126) = ( 0.2755852 0.4355911 0.1584939), wk = 0.0029940 k( 127) = ( 0.2681369 0.4238183 0.1584939), wk = 0.0029940 k( 128) = ( 0.2606887 0.4120456 0.1584939), wk = 0.0029940 k( 129) = ( 0.2532405 0.4002729 0.1584939), wk = 0.0029940 k( 130) = ( 0.2457922 0.3885001 0.1584939), wk = 0.0029940 k( 131) = ( 0.2383440 0.3767274 0.1584939), wk = 0.0029940 k( 132) = ( 0.2308957 0.3649547 0.1584939), wk = 0.0029940 k( 133) = ( 0.2234475 0.3531819 0.1584939), wk = 0.0029940 k( 134) = ( 0.2159992 0.3414092 0.1584939), wk = 0.0029940 k( 135) = ( 0.2085510 0.3296365 0.1584939), wk = 0.0029940 k( 136) = ( 0.2011027 0.3178637 0.1584939), wk = 0.0029940 k( 137) = ( 0.1936545 0.3060910 0.1584939), wk = 0.0029940 k( 138) = ( 0.1862062 0.2943183 0.1584939), wk = 0.0029940 k( 139) = ( 0.1787580 0.2825456 0.1584939), wk = 0.0029940 k( 140) = ( 0.1713097 0.2707728 0.1584939), wk = 0.0029940 k( 141) = ( 0.1638615 0.2590001 0.1584939), wk = 0.0029940 k( 142) = ( 0.1564132 0.2472274 0.1584939), wk = 0.0029940 k( 143) = ( 0.1489650 0.2354546 0.1584939), wk = 0.0029940 k( 144) = ( 0.1415167 0.2236819 0.1584939), wk = 0.0029940 k( 145) = ( 0.1340685 0.2119092 0.1584939), wk = 0.0029940 k( 146) = ( 0.1266202 0.2001364 0.1584939), wk = 0.0029940 k( 147) = ( 0.1191720 0.1883637 0.1584939), wk = 0.0029940 k( 148) = ( 0.1117237 0.1765910 0.1584939), wk = 0.0029940 k( 149) = ( 0.1042755 0.1648182 0.1584939), wk = 0.0029940 k( 150) = ( 0.0968272 0.1530455 0.1584939), wk = 0.0029940 k( 151) = ( 0.0893790 0.1412728 0.1584939), wk = 0.0029940 k( 152) = ( 0.0819307 0.1295000 0.1584939), wk = 0.0029940 k( 153) = ( 0.0744825 0.1177273 0.1584939), wk = 0.0029940 k( 154) = ( 0.0670342 0.1059546 0.1584939), wk = 0.0029940 k( 155) = ( 0.0595860 0.0941819 0.1584939), wk = 0.0029940 k( 156) = ( 0.0521377 0.0824091 0.1584939), wk = 0.0029940 k( 157) = ( 0.0446895 0.0706364 0.1584939), wk = 0.0029940 k( 158) = ( 0.0372412 0.0588637 0.1584939), wk = 0.0029940 k( 159) = ( 0.0297930 0.0470909 0.1584939), wk = 0.0029940 k( 160) = ( 0.0223448 0.0353182 0.1584939), wk = 0.0029940 k( 161) = ( 0.0148965 0.0235455 0.1584939), wk = 0.0029940 k( 162) = ( 0.0074483 0.0117727 0.1584939), wk = 0.0029940 k( 163) = ( 0.0000000 0.0000000 0.1584939), wk = 0.0029940 k( 164) = ( 0.0000000 0.0000000 0.1584939), wk = 0.0029940 k( 165) = ( 0.0000000 0.0000000 0.1452861), wk = 0.0029940 k( 166) = ( 0.0000000 0.0000000 0.1320783), wk = 0.0029940 k( 167) = ( 0.0000000 0.0000000 0.1188704), wk = 0.0029940 k( 168) = ( 0.0000000 0.0000000 0.1056626), wk = 0.0029940 k( 169) = ( 0.0000000 0.0000000 0.0924548), wk = 0.0029940 k( 170) = ( 0.0000000 0.0000000 0.0792470), wk = 0.0029940 k( 171) = ( 0.0000000 0.0000000 0.0660391), wk = 0.0029940 k( 172) = ( 0.0000000 0.0000000 0.0528313), wk = 0.0029940 k( 173) = ( 0.0000000 0.0000000 0.0396235), wk = 0.0029940 k( 174) = ( 0.0000000 0.0000000 0.0264157), wk = 0.0029940 k( 175) = ( 0.0000000 0.0000000 0.0132078), wk = 0.0029940 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 178) = ( -0.0116279 0.0073566 0.0000000), wk = 0.0029940 k( 179) = ( -0.0232558 0.0147132 0.0000000), wk = 0.0029940 k( 180) = ( -0.0348837 0.0220699 0.0000000), wk = 0.0029940 k( 181) = ( -0.0465116 0.0294265 0.0000000), wk = 0.0029940 k( 182) = ( -0.0581395 0.0367831 0.0000000), wk = 0.0029940 k( 183) = ( -0.0697674 0.0441397 0.0000000), wk = 0.0029940 k( 184) = ( -0.0813954 0.0514964 0.0000000), wk = 0.0029940 k( 185) = ( -0.0930233 0.0588530 0.0000000), wk = 0.0029940 k( 186) = ( -0.1046512 0.0662096 0.0000000), wk = 0.0029940 k( 187) = ( -0.1162791 0.0735662 0.0000000), wk = 0.0029940 k( 188) = ( -0.1279070 0.0809228 0.0000000), wk = 0.0029940 k( 189) = ( -0.1395349 0.0882795 0.0000000), wk = 0.0029940 k( 190) = ( -0.1511628 0.0956361 0.0000000), wk = 0.0029940 k( 191) = ( -0.1627907 0.1029927 0.0000000), wk = 0.0029940 k( 192) = ( -0.1744186 0.1103493 0.0000000), wk = 0.0029940 k( 193) = ( -0.1860465 0.1177060 0.0000000), wk = 0.0029940 k( 194) = ( -0.1976744 0.1250626 0.0000000), wk = 0.0029940 k( 195) = ( -0.2093023 0.1324192 0.0000000), wk = 0.0029940 k( 196) = ( -0.2209302 0.1397758 0.0000000), wk = 0.0029940 k( 197) = ( -0.2325581 0.1471325 0.0000000), wk = 0.0029940 k( 198) = ( -0.2441860 0.1544891 0.0000000), wk = 0.0029940 k( 199) = ( -0.2558140 0.1618457 0.0000000), wk = 0.0029940 k( 200) = ( -0.2674419 0.1692023 0.0000000), wk = 0.0029940 k( 201) = ( -0.2790698 0.1765589 0.0000000), wk = 0.0029940 k( 202) = ( -0.2906977 0.1839156 0.0000000), wk = 0.0029940 k( 203) = ( -0.3023256 0.1912722 0.0000000), wk = 0.0029940 k( 204) = ( -0.3139535 0.1986288 0.0000000), wk = 0.0029940 k( 205) = ( -0.3255814 0.2059854 0.0000000), wk = 0.0029940 k( 206) = ( -0.3372093 0.2133421 0.0000000), wk = 0.0029940 k( 207) = ( -0.3488372 0.2206987 0.0000000), wk = 0.0029940 k( 208) = ( -0.3604651 0.2280553 0.0000000), wk = 0.0029940 k( 209) = ( -0.3720930 0.2354119 0.0000000), wk = 0.0029940 k( 210) = ( -0.3837209 0.2427685 0.0000000), wk = 0.0029940 k( 211) = ( -0.3953488 0.2501252 0.0000000), wk = 0.0029940 k( 212) = ( -0.4069767 0.2574818 0.0000000), wk = 0.0029940 k( 213) = ( -0.4186047 0.2648384 0.0000000), wk = 0.0029940 k( 214) = ( -0.4302326 0.2721950 0.0000000), wk = 0.0029940 k( 215) = ( -0.4418605 0.2795517 0.0000000), wk = 0.0029940 k( 216) = ( -0.4534884 0.2869083 0.0000000), wk = 0.0029940 k( 217) = ( -0.4651163 0.2942649 0.0000000), wk = 0.0029940 k( 218) = ( -0.4767442 0.3016215 0.0000000), wk = 0.0029940 k( 219) = ( -0.4883721 0.3089781 0.0000000), wk = 0.0029940 k( 220) = ( -0.5000000 0.3163348 0.0000000), wk = 0.0029940 k( 221) = ( -0.5000000 0.3163348 0.0000000), wk = 0.0029940 k( 222) = ( -0.4928604 0.3276197 -0.0000000), wk = 0.0029940 k( 223) = ( -0.4857207 0.3389046 -0.0000000), wk = 0.0029940 k( 224) = ( -0.4785811 0.3501896 -0.0000000), wk = 0.0029940 k( 225) = ( -0.4714415 0.3614745 -0.0000000), wk = 0.0029940 k( 226) = ( -0.4643018 0.3727594 -0.0000000), wk = 0.0029940 k( 227) = ( -0.4571622 0.3840444 -0.0000000), wk = 0.0029940 k( 228) = ( -0.4500226 0.3953293 -0.0000000), wk = 0.0029940 k( 229) = ( -0.4428829 0.4066142 -0.0000000), wk = 0.0029940 k( 230) = ( -0.4357433 0.4178992 -0.0000000), wk = 0.0029940 k( 231) = ( -0.4286037 0.4291841 -0.0000000), wk = 0.0029940 k( 232) = ( -0.4214640 0.4404690 -0.0000000), wk = 0.0029940 k( 233) = ( -0.4143244 0.4517540 -0.0000000), wk = 0.0029940 k( 234) = ( -0.4071848 0.4630389 -0.0000000), wk = 0.0029940 k( 235) = ( -0.4000451 0.4743239 -0.0000000), wk = 0.0029940 k( 236) = ( -0.3929055 0.4856088 -0.0000000), wk = 0.0029940 k( 237) = ( -0.3857659 0.4968937 -0.0000000), wk = 0.0029940 k( 238) = ( -0.3786262 0.5081787 -0.0000000), wk = 0.0029940 k( 239) = ( -0.3714866 0.5194636 -0.0000000), wk = 0.0029940 k( 240) = ( -0.3643470 0.5307485 -0.0000000), wk = 0.0029940 k( 241) = ( -0.3572073 0.5420334 -0.0000000), wk = 0.0029940 k( 242) = ( -0.3500677 0.5533184 -0.0000000), wk = 0.0029940 k( 243) = ( -0.3500677 0.5533184 -0.0000000), wk = 0.0029940 k( 244) = ( -0.3500677 0.5533184 0.0132078), wk = 0.0029940 k( 245) = ( -0.3500677 0.5533184 0.0264157), wk = 0.0029940 k( 246) = ( -0.3500677 0.5533184 0.0396235), wk = 0.0029940 k( 247) = ( -0.3500677 0.5533184 0.0528313), wk = 0.0029940 k( 248) = ( -0.3500677 0.5533184 0.0660391), wk = 0.0029940 k( 249) = ( -0.3500677 0.5533184 0.0792470), wk = 0.0029940 k( 250) = ( -0.3500677 0.5533184 0.0924548), wk = 0.0029940 k( 251) = ( -0.3500677 0.5533184 0.1056626), wk = 0.0029940 k( 252) = ( -0.3500677 0.5533184 0.1188704), wk = 0.0029940 k( 253) = ( -0.3500677 0.5533184 0.1320783), wk = 0.0029940 k( 254) = ( -0.3500677 0.5533184 0.1452861), wk = 0.0029940 k( 255) = ( -0.3500677 0.5533184 0.1584939), wk = 0.0029940 k( 256) = ( -0.3500677 0.5533184 0.1584939), wk = 0.0029940 k( 257) = ( -0.3572073 0.5420334 0.1584939), wk = 0.0029940 k( 258) = ( -0.3643470 0.5307485 0.1584939), wk = 0.0029940 k( 259) = ( -0.3714866 0.5194636 0.1584939), wk = 0.0029940 k( 260) = ( -0.3786262 0.5081787 0.1584939), wk = 0.0029940 k( 261) = ( -0.3857659 0.4968937 0.1584939), wk = 0.0029940 k( 262) = ( -0.3929055 0.4856088 0.1584939), wk = 0.0029940 k( 263) = ( -0.4000451 0.4743239 0.1584939), wk = 0.0029940 k( 264) = ( -0.4071848 0.4630389 0.1584939), wk = 0.0029940 k( 265) = ( -0.4143244 0.4517540 0.1584939), wk = 0.0029940 k( 266) = ( -0.4214640 0.4404690 0.1584939), wk = 0.0029940 k( 267) = ( -0.4286037 0.4291841 0.1584939), wk = 0.0029940 k( 268) = ( -0.4357433 0.4178992 0.1584939), wk = 0.0029940 k( 269) = ( -0.4428829 0.4066142 0.1584939), wk = 0.0029940 k( 270) = ( -0.4500226 0.3953293 0.1584939), wk = 0.0029940 k( 271) = ( -0.4571622 0.3840444 0.1584939), wk = 0.0029940 k( 272) = ( -0.4643018 0.3727594 0.1584939), wk = 0.0029940 k( 273) = ( -0.4714415 0.3614745 0.1584939), wk = 0.0029940 k( 274) = ( -0.4785811 0.3501896 0.1584939), wk = 0.0029940 k( 275) = ( -0.4857207 0.3389046 0.1584939), wk = 0.0029940 k( 276) = ( -0.4928604 0.3276197 0.1584939), wk = 0.0029940 k( 277) = ( -0.5000000 0.3163348 0.1584939), wk = 0.0029940 k( 278) = ( -0.5000000 0.3163348 0.1584939), wk = 0.0029940 k( 279) = ( -0.5000000 0.3163348 0.1452861), wk = 0.0029940 k( 280) = ( -0.5000000 0.3163348 0.1320783), wk = 0.0029940 k( 281) = ( -0.5000000 0.3163348 0.1188704), wk = 0.0029940 k( 282) = ( -0.5000000 0.3163348 0.1056626), wk = 0.0029940 k( 283) = ( -0.5000000 0.3163348 0.0924548), wk = 0.0029940 k( 284) = ( -0.5000000 0.3163348 0.0792470), wk = 0.0029940 k( 285) = ( -0.5000000 0.3163348 0.0660391), wk = 0.0029940 k( 286) = ( -0.5000000 0.3163348 0.0528313), wk = 0.0029940 k( 287) = ( -0.5000000 0.3163348 0.0396235), wk = 0.0029940 k( 288) = ( -0.5000000 0.3163348 0.0264157), wk = 0.0029940 k( 289) = ( -0.5000000 0.3163348 0.0132078), wk = 0.0029940 k( 290) = ( -0.5000000 0.3163348 0.0000000), wk = 0.0029940 k( 291) = ( 0.0000000 0.0000000 0.1584939), wk = 0.0029940 k( 292) = ( -0.0116279 0.0073566 0.1584939), wk = 0.0029940 k( 293) = ( -0.0232558 0.0147132 0.1584939), wk = 0.0029940 k( 294) = ( -0.0348837 0.0220699 0.1584939), wk = 0.0029940 k( 295) = ( -0.0465116 0.0294265 0.1584939), wk = 0.0029940 k( 296) = ( -0.0581395 0.0367831 0.1584939), wk = 0.0029940 k( 297) = ( -0.0697674 0.0441397 0.1584939), wk = 0.0029940 k( 298) = ( -0.0813954 0.0514964 0.1584939), wk = 0.0029940 k( 299) = ( -0.0930233 0.0588530 0.1584939), wk = 0.0029940 k( 300) = ( -0.1046512 0.0662096 0.1584939), wk = 0.0029940 k( 301) = ( -0.1162791 0.0735662 0.1584939), wk = 0.0029940 k( 302) = ( -0.1279070 0.0809228 0.1584939), wk = 0.0029940 k( 303) = ( -0.1395349 0.0882795 0.1584939), wk = 0.0029940 k( 304) = ( -0.1511628 0.0956361 0.1584939), wk = 0.0029940 k( 305) = ( -0.1627907 0.1029927 0.1584939), wk = 0.0029940 k( 306) = ( -0.1744186 0.1103493 0.1584939), wk = 0.0029940 k( 307) = ( -0.1860465 0.1177060 0.1584939), wk = 0.0029940 k( 308) = ( -0.1976744 0.1250626 0.1584939), wk = 0.0029940 k( 309) = ( -0.2093023 0.1324192 0.1584939), wk = 0.0029940 k( 310) = ( -0.2209302 0.1397758 0.1584939), wk = 0.0029940 k( 311) = ( -0.2325581 0.1471325 0.1584939), wk = 0.0029940 k( 312) = ( -0.2441860 0.1544891 0.1584939), wk = 0.0029940 k( 313) = ( -0.2558140 0.1618457 0.1584939), wk = 0.0029940 k( 314) = ( -0.2674419 0.1692023 0.1584939), wk = 0.0029940 k( 315) = ( -0.2790698 0.1765589 0.1584939), wk = 0.0029940 k( 316) = ( -0.2906977 0.1839156 0.1584939), wk = 0.0029940 k( 317) = ( -0.3023256 0.1912722 0.1584939), wk = 0.0029940 k( 318) = ( -0.3139535 0.1986288 0.1584939), wk = 0.0029940 k( 319) = ( -0.3255814 0.2059854 0.1584939), wk = 0.0029940 k( 320) = ( -0.3372093 0.2133421 0.1584939), wk = 0.0029940 k( 321) = ( -0.3488372 0.2206987 0.1584939), wk = 0.0029940 k( 322) = ( -0.3604651 0.2280553 0.1584939), wk = 0.0029940 k( 323) = ( -0.3720930 0.2354119 0.1584939), wk = 0.0029940 k( 324) = ( -0.3837209 0.2427685 0.1584939), wk = 0.0029940 k( 325) = ( -0.3953488 0.2501252 0.1584939), wk = 0.0029940 k( 326) = ( -0.4069767 0.2574818 0.1584939), wk = 0.0029940 k( 327) = ( -0.4186047 0.2648384 0.1584939), wk = 0.0029940 k( 328) = ( -0.4302326 0.2721950 0.1584939), wk = 0.0029940 k( 329) = ( -0.4418605 0.2795517 0.1584939), wk = 0.0029940 k( 330) = ( -0.4534884 0.2869083 0.1584939), wk = 0.0029940 k( 331) = ( -0.4651163 0.2942649 0.1584939), wk = 0.0029940 k( 332) = ( -0.4767442 0.3016215 0.1584939), wk = 0.0029940 k( 333) = ( -0.4883721 0.3089781 0.1584939), wk = 0.0029940 k( 334) = ( -0.5000000 0.3163348 0.1584939), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0074483 0.0074482 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0148965 0.0148965 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0223448 0.0223448 0.0000000), wk = 0.0029940 k( 5) = ( 0.0297930 0.0297930 0.0000000), wk = 0.0029940 k( 6) = ( 0.0372412 0.0372412 0.0000000), wk = 0.0029940 k( 7) = ( 0.0446895 0.0446895 0.0000000), wk = 0.0029940 k( 8) = ( 0.0521377 0.0521377 0.0000000), wk = 0.0029940 k( 9) = ( 0.0595860 0.0595860 0.0000000), wk = 0.0029940 k( 10) = ( 0.0670342 0.0670342 -0.0000000), wk = 0.0029940 k( 11) = ( 0.0744825 0.0744825 0.0000000), wk = 0.0029940 k( 12) = ( 0.0819307 0.0819307 0.0000000), wk = 0.0029940 k( 13) = ( 0.0893790 0.0893790 0.0000000), wk = 0.0029940 k( 14) = ( 0.0968272 0.0968272 0.0000000), wk = 0.0029940 k( 15) = ( 0.1042755 0.1042755 0.0000000), wk = 0.0029940 k( 16) = ( 0.1117237 0.1117237 0.0000000), wk = 0.0029940 k( 17) = ( 0.1191720 0.1191720 0.0000000), wk = 0.0029940 k( 18) = ( 0.1266202 0.1266202 0.0000000), wk = 0.0029940 k( 19) = ( 0.1340685 0.1340685 -0.0000000), wk = 0.0029940 k( 20) = ( 0.1415167 0.1415167 0.0000000), wk = 0.0029940 k( 21) = ( 0.1489650 0.1489650 0.0000000), wk = 0.0029940 k( 22) = ( 0.1564132 0.1564132 0.0000000), wk = 0.0029940 k( 23) = ( 0.1638615 0.1638615 0.0000000), wk = 0.0029940 k( 24) = ( 0.1713097 0.1713097 0.0000000), wk = 0.0029940 k( 25) = ( 0.1787580 0.1787580 0.0000000), wk = 0.0029940 k( 26) = ( 0.1862062 0.1862062 0.0000000), wk = 0.0029940 k( 27) = ( 0.1936545 0.1936545 0.0000000), wk = 0.0029940 k( 28) = ( 0.2011027 0.2011027 -0.0000000), wk = 0.0029940 k( 29) = ( 0.2085510 0.2085510 0.0000000), wk = 0.0029940 k( 30) = ( 0.2159992 0.2159992 -0.0000000), wk = 0.0029940 k( 31) = ( 0.2234475 0.2234475 0.0000000), wk = 0.0029940 k( 32) = ( 0.2308957 0.2308957 0.0000000), wk = 0.0029940 k( 33) = ( 0.2383440 0.2383440 0.0000000), wk = 0.0029940 k( 34) = ( 0.2457922 0.2457922 -0.0000000), wk = 0.0029940 k( 35) = ( 0.2532405 0.2532405 0.0000000), wk = 0.0029940 k( 36) = ( 0.2606887 0.2606887 0.0000000), wk = 0.0029940 k( 37) = ( 0.2681369 0.2681370 0.0000000), wk = 0.0029940 k( 38) = ( 0.2755852 0.2755852 0.0000000), wk = 0.0029940 k( 39) = ( 0.2830335 0.2830335 0.0000000), wk = 0.0029940 k( 40) = ( 0.2904817 0.2904817 0.0000000), wk = 0.0029940 k( 41) = ( 0.2979299 0.2979299 0.0000000), wk = 0.0029940 k( 42) = ( 0.3053782 0.3053782 0.0000000), wk = 0.0029940 k( 43) = ( 0.3128264 0.3128264 0.0000000), wk = 0.0029940 k( 44) = ( 0.3202747 0.3202747 -0.0000000), wk = 0.0029940 k( 45) = ( 0.3277229 0.3277229 0.0000000), wk = 0.0029940 k( 46) = ( 0.3351712 0.3351712 0.0000000), wk = 0.0029940 k( 47) = ( 0.3426194 0.3426194 0.0000000), wk = 0.0029940 k( 48) = ( 0.3500677 0.3500677 0.0000000), wk = 0.0029940 k( 49) = ( 0.3500677 0.3500677 0.0000000), wk = 0.0029940 k( 50) = ( 0.3366035 0.3558343 0.0000000), wk = 0.0029940 k( 51) = ( 0.3231394 0.3616009 0.0000000), wk = 0.0029940 k( 52) = ( 0.3096753 0.3673676 0.0000000), wk = 0.0029940 k( 53) = ( 0.2962111 0.3731342 0.0000000), wk = 0.0029940 k( 54) = ( 0.2827470 0.3789008 0.0000000), wk = 0.0029940 k( 55) = ( 0.2692828 0.3846675 -0.0000000), wk = 0.0029940 k( 56) = ( 0.2558187 0.3904341 0.0000000), wk = 0.0029940 k( 57) = ( 0.2423546 0.3962007 0.0000000), wk = 0.0029940 k( 58) = ( 0.2288904 0.4019673 0.0000000), wk = 0.0029940 k( 59) = ( 0.2154263 0.4077340 0.0000000), wk = 0.0029940 k( 60) = ( 0.2019621 0.4135006 0.0000000), wk = 0.0029940 k( 61) = ( 0.1884980 0.4192672 0.0000000), wk = 0.0029940 k( 62) = ( 0.1750338 0.4250338 0.0000000), wk = 0.0029940 k( 63) = ( 0.1615697 0.4308005 0.0000000), wk = 0.0029940 k( 64) = ( 0.1481056 0.4365671 0.0000000), wk = 0.0029940 k( 65) = ( 0.1346414 0.4423337 0.0000000), wk = 0.0029940 k( 66) = ( 0.1211773 0.4481004 0.0000000), wk = 0.0029940 k( 67) = ( 0.1077131 0.4538670 0.0000000), wk = 0.0029940 k( 68) = ( 0.0942490 0.4596336 -0.0000000), wk = 0.0029940 k( 69) = ( 0.0807849 0.4654002 0.0000000), wk = 0.0029940 k( 70) = ( 0.0673207 0.4711669 0.0000000), wk = 0.0029940 k( 71) = ( 0.0538566 0.4769335 0.0000000), wk = 0.0029940 k( 72) = ( 0.0403924 0.4827001 0.0000000), wk = 0.0029940 k( 73) = ( 0.0269283 0.4884667 -0.0000000), wk = 0.0029940 k( 74) = ( 0.0134641 0.4942334 -0.0000000), wk = 0.0029940 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 76) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 77) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0029940 k( 78) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0029940 k( 79) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029940 k( 80) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0029940 k( 81) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0029940 k( 82) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029940 k( 83) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0029940 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0029940 k( 85) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029940 k( 86) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0029940 k( 87) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0029940 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029940 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029940 k( 90) = ( 0.0134641 0.4942334 0.5000000), wk = 0.0029940 k( 91) = ( 0.0269283 0.4884667 0.5000000), wk = 0.0029940 k( 92) = ( 0.0403924 0.4827001 0.5000000), wk = 0.0029940 k( 93) = ( 0.0538566 0.4769335 0.5000000), wk = 0.0029940 k( 94) = ( 0.0673207 0.4711669 0.5000000), wk = 0.0029940 k( 95) = ( 0.0807849 0.4654002 0.5000000), wk = 0.0029940 k( 96) = ( 0.0942490 0.4596336 0.5000000), wk = 0.0029940 k( 97) = ( 0.1077131 0.4538670 0.5000000), wk = 0.0029940 k( 98) = ( 0.1211773 0.4481004 0.5000000), wk = 0.0029940 k( 99) = ( 0.1346414 0.4423337 0.5000000), wk = 0.0029940 k( 100) = ( 0.1481056 0.4365671 0.5000000), wk = 0.0029940 k( 101) = ( 0.1615697 0.4308005 0.5000000), wk = 0.0029940 k( 102) = ( 0.1750338 0.4250338 0.5000000), wk = 0.0029940 k( 103) = ( 0.1884980 0.4192672 0.5000000), wk = 0.0029940 k( 104) = ( 0.2019621 0.4135006 0.5000000), wk = 0.0029940 k( 105) = ( 0.2154263 0.4077340 0.5000000), wk = 0.0029940 k( 106) = ( 0.2288904 0.4019673 0.5000000), wk = 0.0029940 k( 107) = ( 0.2423546 0.3962007 0.5000000), wk = 0.0029940 k( 108) = ( 0.2558187 0.3904341 0.5000000), wk = 0.0029940 k( 109) = ( 0.2692828 0.3846675 0.5000000), wk = 0.0029940 k( 110) = ( 0.2827470 0.3789008 0.5000000), wk = 0.0029940 k( 111) = ( 0.2962111 0.3731342 0.5000000), wk = 0.0029940 k( 112) = ( 0.3096753 0.3673676 0.5000000), wk = 0.0029940 k( 113) = ( 0.3231394 0.3616009 0.5000000), wk = 0.0029940 k( 114) = ( 0.3366035 0.3558343 0.5000000), wk = 0.0029940 k( 115) = ( 0.3500677 0.3500677 0.5000000), wk = 0.0029940 k( 116) = ( 0.3500677 0.3500677 0.5000000), wk = 0.0029940 k( 117) = ( 0.3426194 0.3426194 0.5000000), wk = 0.0029940 k( 118) = ( 0.3351712 0.3351712 0.5000000), wk = 0.0029940 k( 119) = ( 0.3277229 0.3277229 0.5000000), wk = 0.0029940 k( 120) = ( 0.3202747 0.3202747 0.5000000), wk = 0.0029940 k( 121) = ( 0.3128264 0.3128264 0.5000000), wk = 0.0029940 k( 122) = ( 0.3053782 0.3053782 0.5000000), wk = 0.0029940 k( 123) = ( 0.2979299 0.2979299 0.5000000), wk = 0.0029940 k( 124) = ( 0.2904817 0.2904817 0.5000000), wk = 0.0029940 k( 125) = ( 0.2830335 0.2830335 0.5000000), wk = 0.0029940 k( 126) = ( 0.2755852 0.2755852 0.5000000), wk = 0.0029940 k( 127) = ( 0.2681369 0.2681370 0.5000000), wk = 0.0029940 k( 128) = ( 0.2606887 0.2606887 0.5000000), wk = 0.0029940 k( 129) = ( 0.2532405 0.2532405 0.5000000), wk = 0.0029940 k( 130) = ( 0.2457922 0.2457922 0.5000000), wk = 0.0029940 k( 131) = ( 0.2383440 0.2383440 0.5000000), wk = 0.0029940 k( 132) = ( 0.2308957 0.2308957 0.5000000), wk = 0.0029940 k( 133) = ( 0.2234475 0.2234475 0.5000000), wk = 0.0029940 k( 134) = ( 0.2159992 0.2159992 0.5000000), wk = 0.0029940 k( 135) = ( 0.2085510 0.2085510 0.5000000), wk = 0.0029940 k( 136) = ( 0.2011027 0.2011027 0.5000000), wk = 0.0029940 k( 137) = ( 0.1936545 0.1936545 0.5000000), wk = 0.0029940 k( 138) = ( 0.1862062 0.1862062 0.5000000), wk = 0.0029940 k( 139) = ( 0.1787580 0.1787580 0.5000000), wk = 0.0029940 k( 140) = ( 0.1713097 0.1713097 0.5000000), wk = 0.0029940 k( 141) = ( 0.1638615 0.1638615 0.5000000), wk = 0.0029940 k( 142) = ( 0.1564132 0.1564132 0.5000000), wk = 0.0029940 k( 143) = ( 0.1489650 0.1489650 0.5000000), wk = 0.0029940 k( 144) = ( 0.1415167 0.1415167 0.5000000), wk = 0.0029940 k( 145) = ( 0.1340685 0.1340685 0.5000000), wk = 0.0029940 k( 146) = ( 0.1266202 0.1266202 0.5000000), wk = 0.0029940 k( 147) = ( 0.1191720 0.1191720 0.5000000), wk = 0.0029940 k( 148) = ( 0.1117237 0.1117237 0.5000000), wk = 0.0029940 k( 149) = ( 0.1042755 0.1042755 0.5000000), wk = 0.0029940 k( 150) = ( 0.0968272 0.0968272 0.5000000), wk = 0.0029940 k( 151) = ( 0.0893790 0.0893790 0.5000000), wk = 0.0029940 k( 152) = ( 0.0819307 0.0819307 0.5000000), wk = 0.0029940 k( 153) = ( 0.0744825 0.0744825 0.5000000), wk = 0.0029940 k( 154) = ( 0.0670342 0.0670342 0.5000000), wk = 0.0029940 k( 155) = ( 0.0595860 0.0595860 0.5000000), wk = 0.0029940 k( 156) = ( 0.0521377 0.0521377 0.5000000), wk = 0.0029940 k( 157) = ( 0.0446895 0.0446895 0.5000000), wk = 0.0029940 k( 158) = ( 0.0372412 0.0372412 0.5000000), wk = 0.0029940 k( 159) = ( 0.0297930 0.0297930 0.5000000), wk = 0.0029940 k( 160) = ( 0.0223448 0.0223448 0.5000000), wk = 0.0029940 k( 161) = ( 0.0148965 0.0148965 0.5000000), wk = 0.0029940 k( 162) = ( 0.0074483 0.0074482 0.5000000), wk = 0.0029940 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 165) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029940 k( 166) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029940 k( 167) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029940 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029940 k( 169) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029940 k( 170) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029940 k( 171) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029940 k( 172) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029940 k( 173) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029940 k( 174) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029940 k( 175) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029940 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 178) = ( -0.0116279 0.0116279 0.0000000), wk = 0.0029940 k( 179) = ( -0.0232558 0.0232558 0.0000000), wk = 0.0029940 k( 180) = ( -0.0348837 0.0348837 0.0000000), wk = 0.0029940 k( 181) = ( -0.0465116 0.0465116 0.0000000), wk = 0.0029940 k( 182) = ( -0.0581395 0.0581395 0.0000000), wk = 0.0029940 k( 183) = ( -0.0697674 0.0697674 0.0000000), wk = 0.0029940 k( 184) = ( -0.0813954 0.0813954 0.0000000), wk = 0.0029940 k( 185) = ( -0.0930233 0.0930233 0.0000000), wk = 0.0029940 k( 186) = ( -0.1046512 0.1046512 0.0000000), wk = 0.0029940 k( 187) = ( -0.1162791 0.1162791 0.0000000), wk = 0.0029940 k( 188) = ( -0.1279070 0.1279070 0.0000000), wk = 0.0029940 k( 189) = ( -0.1395349 0.1395349 0.0000000), wk = 0.0029940 k( 190) = ( -0.1511628 0.1511628 -0.0000000), wk = 0.0029940 k( 191) = ( -0.1627907 0.1627907 0.0000000), wk = 0.0029940 k( 192) = ( -0.1744186 0.1744186 0.0000000), wk = 0.0029940 k( 193) = ( -0.1860465 0.1860465 0.0000000), wk = 0.0029940 k( 194) = ( -0.1976744 0.1976744 0.0000000), wk = 0.0029940 k( 195) = ( -0.2093023 0.2093023 0.0000000), wk = 0.0029940 k( 196) = ( -0.2209302 0.2209302 0.0000000), wk = 0.0029940 k( 197) = ( -0.2325581 0.2325581 0.0000000), wk = 0.0029940 k( 198) = ( -0.2441860 0.2441860 0.0000000), wk = 0.0029940 k( 199) = ( -0.2558140 0.2558140 0.0000000), wk = 0.0029940 k( 200) = ( -0.2674419 0.2674419 -0.0000000), wk = 0.0029940 k( 201) = ( -0.2790698 0.2790698 -0.0000000), wk = 0.0029940 k( 202) = ( -0.2906977 0.2906977 0.0000000), wk = 0.0029940 k( 203) = ( -0.3023256 0.3023256 -0.0000000), wk = 0.0029940 k( 204) = ( -0.3139535 0.3139535 0.0000000), wk = 0.0029940 k( 205) = ( -0.3255814 0.3255814 0.0000000), wk = 0.0029940 k( 206) = ( -0.3372093 0.3372093 -0.0000000), wk = 0.0029940 k( 207) = ( -0.3488372 0.3488372 0.0000000), wk = 0.0029940 k( 208) = ( -0.3604651 0.3604651 0.0000000), wk = 0.0029940 k( 209) = ( -0.3720930 0.3720930 0.0000000), wk = 0.0029940 k( 210) = ( -0.3837209 0.3837209 -0.0000000), wk = 0.0029940 k( 211) = ( -0.3953488 0.3953488 0.0000000), wk = 0.0029940 k( 212) = ( -0.4069767 0.4069767 0.0000000), wk = 0.0029940 k( 213) = ( -0.4186047 0.4186047 -0.0000000), wk = 0.0029940 k( 214) = ( -0.4302326 0.4302326 0.0000000), wk = 0.0029940 k( 215) = ( -0.4418605 0.4418605 0.0000000), wk = 0.0029940 k( 216) = ( -0.4534884 0.4534884 0.0000000), wk = 0.0029940 k( 217) = ( -0.4651163 0.4651163 0.0000000), wk = 0.0029940 k( 218) = ( -0.4767442 0.4767442 0.0000000), wk = 0.0029940 k( 219) = ( -0.4883721 0.4883721 0.0000000), wk = 0.0029940 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 222) = ( -0.4928604 0.5071396 -0.0000000), wk = 0.0029940 k( 223) = ( -0.4857207 0.5142793 0.0000000), wk = 0.0029940 k( 224) = ( -0.4785811 0.5214189 0.0000000), wk = 0.0029940 k( 225) = ( -0.4714415 0.5285585 0.0000000), wk = 0.0029940 k( 226) = ( -0.4643018 0.5356982 -0.0000000), wk = 0.0029940 k( 227) = ( -0.4571622 0.5428378 -0.0000000), wk = 0.0029940 k( 228) = ( -0.4500226 0.5499774 0.0000000), wk = 0.0029940 k( 229) = ( -0.4428829 0.5571171 0.0000000), wk = 0.0029940 k( 230) = ( -0.4357433 0.5642567 0.0000000), wk = 0.0029940 k( 231) = ( -0.4286037 0.5713963 0.0000000), wk = 0.0029940 k( 232) = ( -0.4214640 0.5785360 0.0000000), wk = 0.0029940 k( 233) = ( -0.4143244 0.5856756 -0.0000000), wk = 0.0029940 k( 234) = ( -0.4071848 0.5928152 0.0000000), wk = 0.0029940 k( 235) = ( -0.4000451 0.5999549 0.0000000), wk = 0.0029940 k( 236) = ( -0.3929055 0.6070945 0.0000000), wk = 0.0029940 k( 237) = ( -0.3857659 0.6142341 0.0000000), wk = 0.0029940 k( 238) = ( -0.3786262 0.6213738 0.0000000), wk = 0.0029940 k( 239) = ( -0.3714866 0.6285134 0.0000000), wk = 0.0029940 k( 240) = ( -0.3643470 0.6356530 0.0000000), wk = 0.0029940 k( 241) = ( -0.3572073 0.6427927 0.0000000), wk = 0.0029940 k( 242) = ( -0.3500677 0.6499323 0.0000000), wk = 0.0029940 k( 243) = ( -0.3500677 0.6499323 0.0000000), wk = 0.0029940 k( 244) = ( -0.3500677 0.6499323 0.0416667), wk = 0.0029940 k( 245) = ( -0.3500677 0.6499323 0.0833333), wk = 0.0029940 k( 246) = ( -0.3500677 0.6499323 0.1250000), wk = 0.0029940 k( 247) = ( -0.3500677 0.6499323 0.1666667), wk = 0.0029940 k( 248) = ( -0.3500677 0.6499323 0.2083333), wk = 0.0029940 k( 249) = ( -0.3500677 0.6499323 0.2500000), wk = 0.0029940 k( 250) = ( -0.3500677 0.6499323 0.2916667), wk = 0.0029940 k( 251) = ( -0.3500677 0.6499323 0.3333333), wk = 0.0029940 k( 252) = ( -0.3500677 0.6499323 0.3750000), wk = 0.0029940 k( 253) = ( -0.3500677 0.6499323 0.4166667), wk = 0.0029940 k( 254) = ( -0.3500677 0.6499323 0.4583333), wk = 0.0029940 k( 255) = ( -0.3500677 0.6499323 0.5000000), wk = 0.0029940 k( 256) = ( -0.3500677 0.6499323 0.5000000), wk = 0.0029940 k( 257) = ( -0.3572073 0.6427927 0.5000000), wk = 0.0029940 k( 258) = ( -0.3643470 0.6356530 0.5000000), wk = 0.0029940 k( 259) = ( -0.3714866 0.6285134 0.5000000), wk = 0.0029940 k( 260) = ( -0.3786262 0.6213738 0.5000000), wk = 0.0029940 k( 261) = ( -0.3857659 0.6142341 0.5000000), wk = 0.0029940 k( 262) = ( -0.3929055 0.6070945 0.5000000), wk = 0.0029940 k( 263) = ( -0.4000451 0.5999549 0.5000000), wk = 0.0029940 k( 264) = ( -0.4071848 0.5928152 0.5000000), wk = 0.0029940 k( 265) = ( -0.4143244 0.5856756 0.5000000), wk = 0.0029940 k( 266) = ( -0.4214640 0.5785360 0.5000000), wk = 0.0029940 k( 267) = ( -0.4286037 0.5713963 0.5000000), wk = 0.0029940 k( 268) = ( -0.4357433 0.5642567 0.5000000), wk = 0.0029940 k( 269) = ( -0.4428829 0.5571171 0.5000000), wk = 0.0029940 k( 270) = ( -0.4500226 0.5499774 0.5000000), wk = 0.0029940 k( 271) = ( -0.4571622 0.5428378 0.5000000), wk = 0.0029940 k( 272) = ( -0.4643018 0.5356982 0.5000000), wk = 0.0029940 k( 273) = ( -0.4714415 0.5285585 0.5000000), wk = 0.0029940 k( 274) = ( -0.4785811 0.5214189 0.5000000), wk = 0.0029940 k( 275) = ( -0.4857207 0.5142793 0.5000000), wk = 0.0029940 k( 276) = ( -0.4928604 0.5071396 0.5000000), wk = 0.0029940 k( 277) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 278) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 279) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0029940 k( 280) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0029940 k( 281) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0029940 k( 282) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0029940 k( 283) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0029940 k( 284) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0029940 k( 285) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0029940 k( 286) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0029940 k( 287) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0029940 k( 288) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0029940 k( 289) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0029940 k( 290) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 292) = ( -0.0116279 0.0116279 0.5000000), wk = 0.0029940 k( 293) = ( -0.0232558 0.0232558 0.5000000), wk = 0.0029940 k( 294) = ( -0.0348837 0.0348837 0.5000000), wk = 0.0029940 k( 295) = ( -0.0465116 0.0465116 0.5000000), wk = 0.0029940 k( 296) = ( -0.0581395 0.0581395 0.5000000), wk = 0.0029940 k( 297) = ( -0.0697674 0.0697674 0.5000000), wk = 0.0029940 k( 298) = ( -0.0813954 0.0813954 0.5000000), wk = 0.0029940 k( 299) = ( -0.0930233 0.0930233 0.5000000), wk = 0.0029940 k( 300) = ( -0.1046512 0.1046512 0.5000000), wk = 0.0029940 k( 301) = ( -0.1162791 0.1162791 0.5000000), wk = 0.0029940 k( 302) = ( -0.1279070 0.1279070 0.5000000), wk = 0.0029940 k( 303) = ( -0.1395349 0.1395349 0.5000000), wk = 0.0029940 k( 304) = ( -0.1511628 0.1511628 0.5000000), wk = 0.0029940 k( 305) = ( -0.1627907 0.1627907 0.5000000), wk = 0.0029940 k( 306) = ( -0.1744186 0.1744186 0.5000000), wk = 0.0029940 k( 307) = ( -0.1860465 0.1860465 0.5000000), wk = 0.0029940 k( 308) = ( -0.1976744 0.1976744 0.5000000), wk = 0.0029940 k( 309) = ( -0.2093023 0.2093023 0.5000000), wk = 0.0029940 k( 310) = ( -0.2209302 0.2209302 0.5000000), wk = 0.0029940 k( 311) = ( -0.2325581 0.2325581 0.5000000), wk = 0.0029940 k( 312) = ( -0.2441860 0.2441860 0.5000000), wk = 0.0029940 k( 313) = ( -0.2558140 0.2558140 0.5000000), wk = 0.0029940 k( 314) = ( -0.2674419 0.2674419 0.5000000), wk = 0.0029940 k( 315) = ( -0.2790698 0.2790698 0.5000000), wk = 0.0029940 k( 316) = ( -0.2906977 0.2906977 0.5000000), wk = 0.0029940 k( 317) = ( -0.3023256 0.3023256 0.5000000), wk = 0.0029940 k( 318) = ( -0.3139535 0.3139535 0.5000000), wk = 0.0029940 k( 319) = ( -0.3255814 0.3255814 0.5000000), wk = 0.0029940 k( 320) = ( -0.3372093 0.3372093 0.5000000), wk = 0.0029940 k( 321) = ( -0.3488372 0.3488372 0.5000000), wk = 0.0029940 k( 322) = ( -0.3604651 0.3604651 0.5000000), wk = 0.0029940 k( 323) = ( -0.3720930 0.3720930 0.5000000), wk = 0.0029940 k( 324) = ( -0.3837209 0.3837209 0.5000000), wk = 0.0029940 k( 325) = ( -0.3953488 0.3953488 0.5000000), wk = 0.0029940 k( 326) = ( -0.4069767 0.4069767 0.5000000), wk = 0.0029940 k( 327) = ( -0.4186047 0.4186047 0.5000000), wk = 0.0029940 k( 328) = ( -0.4302326 0.4302326 0.5000000), wk = 0.0029940 k( 329) = ( -0.4418605 0.4418605 0.5000000), wk = 0.0029940 k( 330) = ( -0.4534884 0.4534884 0.5000000), wk = 0.0029940 k( 331) = ( -0.4651163 0.4651163 0.5000000), wk = 0.0029940 k( 332) = ( -0.4767442 0.4767442 0.5000000), wk = 0.0029940 k( 333) = ( -0.4883721 0.4883721 0.5000000), wk = 0.0029940 k( 334) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 Dense grid: 234223 G-vectors FFT dimensions: ( 54, 54, 180) Smooth grid: 62415 G-vectors FFT dimensions: ( 36, 36, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 374, 62) NL pseudopotentials 0.58 Mb ( 187, 204) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 4883) G-vector shells 0.02 Mb ( 2414) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.42 Mb ( 374, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./HgI2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.5 secs Computing kpt #: 2 total cpu time spent up to now is 51.8 secs Computing kpt #: 3 total cpu time spent up to now is 57.2 secs Computing kpt #: 4 total cpu time spent up to now is 62.6 secs Computing kpt #: 5 total cpu time spent up to now is 68.1 secs Computing kpt #: 6 total cpu time spent up to now is 73.3 secs Computing kpt #: 7 total cpu time spent up to now is 79.0 secs Computing kpt #: 8 total cpu time spent up to now is 84.3 secs Computing kpt #: 9 total cpu time spent up to now is 89.5 secs Computing kpt #: 10 total cpu time spent up to now is 94.8 secs Computing kpt #: 11 total cpu time spent up to now is 100.5 secs Computing kpt #: 12 total cpu time spent up to now is 106.2 secs Computing kpt #: 13 total cpu time spent up to now is 112.5 secs Computing kpt #: 14 total cpu time spent up to now is 118.7 secs Computing kpt #: 15 total cpu time spent up to now is 124.0 secs Computing kpt #: 16 total cpu time spent up to now is 129.6 secs Computing kpt #: 17 total cpu time spent up to now is 134.7 secs Computing kpt #: 18 total cpu time spent up to now is 140.0 secs Computing kpt #: 19 total cpu time spent up to now is 145.1 secs Computing kpt #: 20 total cpu time spent up to now is 150.5 secs Computing kpt #: 21 total cpu time spent up to now is 156.2 secs Computing kpt #: 22 total cpu time spent up to now is 161.4 secs Computing kpt #: 23 total cpu time spent up to now is 167.9 secs Computing kpt #: 24 total cpu time spent up to now is 173.5 secs Computing kpt #: 25 total cpu time spent up to now is 180.3 secs Computing kpt #: 26 total cpu time spent up to now is 186.3 secs Computing kpt #: 27 total cpu time spent up to now is 191.6 secs Computing kpt #: 28 total cpu time spent up to now is 196.9 secs Computing kpt #: 29 total cpu time spent up to now is 202.0 secs Computing kpt #: 30 total cpu time spent up to now is 207.4 secs Computing kpt #: 31 total cpu time spent up to now is 212.6 secs Computing kpt #: 32 total cpu time spent up to now is 217.8 secs Computing kpt #: 33 total cpu time spent up to now is 222.9 secs Computing kpt #: 34 total cpu time spent up to now is 228.5 secs Computing kpt #: 35 total cpu time spent up to now is 233.6 secs Computing kpt #: 36 total cpu time spent up to now is 239.1 secs Computing kpt #: 37 total cpu time spent up to now is 244.9 secs Computing kpt #: 38 total cpu time spent up to now is 251.1 secs Computing kpt #: 39 total cpu time spent up to now is 256.2 secs Computing kpt #: 40 total cpu time spent up to now is 261.6 secs Computing kpt #: 41 total cpu time spent up to now is 267.2 secs Computing kpt #: 42 total cpu time spent up to now is 272.9 secs Computing kpt #: 43 total cpu time spent up to now is 278.0 secs Computing kpt #: 44 total cpu time spent up to now is 283.2 secs Computing kpt #: 45 total cpu time spent up to now is 288.7 secs Computing kpt #: 46 total cpu time spent up to now is 294.6 secs Computing kpt #: 47 total cpu time spent up to now is 300.1 secs Computing kpt #: 48 total cpu time spent up to now is 305.6 secs Computing kpt #: 49 total cpu time spent up to now is 312.1 secs Computing kpt #: 50 total cpu time spent up to now is 318.1 secs Computing kpt #: 51 total cpu time spent up to now is 324.0 secs Computing kpt #: 52 total cpu time spent up to now is 329.9 secs Computing kpt #: 53 total cpu time spent up to now is 335.4 secs Computing kpt #: 54 total cpu time spent up to now is 341.0 secs Computing kpt #: 55 total cpu time spent up to now is 346.2 secs Computing kpt #: 56 total cpu time spent up to now is 351.5 secs Computing kpt #: 57 total cpu time spent up to now is 356.8 secs Computing kpt #: 58 total cpu time spent up to now is 363.3 secs Computing kpt #: 59 total cpu time spent up to now is 368.8 secs Computing kpt #: 60 total cpu time spent up to now is 374.3 secs Computing kpt #: 61 total cpu time spent up to now is 380.4 secs Computing kpt #: 62 total cpu time spent up to now is 387.1 secs Computing kpt #: 63 total cpu time spent up to now is 392.5 secs Computing kpt #: 64 total cpu time spent up to now is 398.1 secs Computing kpt #: 65 total cpu time spent up to now is 403.6 secs Computing kpt #: 66 total cpu time spent up to now is 408.9 secs Computing kpt #: 67 total cpu time spent up to now is 414.6 secs Computing kpt #: 68 total cpu time spent up to now is 419.8 secs Computing kpt #: 69 total cpu time spent up to now is 425.0 secs Computing kpt #: 70 total cpu time spent up to now is 430.5 secs Computing kpt #: 71 total cpu time spent up to now is 435.8 secs Computing kpt #: 72 total cpu time spent up to now is 441.4 secs Computing kpt #: 73 total cpu time spent up to now is 448.2 secs Computing kpt #: 74 total cpu time spent up to now is 453.4 secs Computing kpt #: 75 total cpu time spent up to now is 459.3 secs Computing kpt #: 76 total cpu time spent up to now is 465.1 secs Computing kpt #: 77 total cpu time spent up to now is 470.9 secs Computing kpt #: 78 total cpu time spent up to now is 476.3 secs Computing kpt #: 79 total cpu time spent up to now is 481.9 secs Computing kpt #: 80 total cpu time spent up to now is 487.9 secs Computing kpt #: 81 total cpu time spent up to now is 493.4 secs Computing kpt #: 82 total cpu time spent up to now is 498.5 secs Computing kpt #: 83 total cpu time spent up to now is 503.8 secs Computing kpt #: 84 total cpu time spent up to now is 509.3 secs Computing kpt #: 85 total cpu time spent up to now is 514.6 secs Computing kpt #: 86 total cpu time spent up to now is 520.0 secs Computing kpt #: 87 total cpu time spent up to now is 525.6 secs Computing kpt #: 88 total cpu time spent up to now is 530.9 secs Computing kpt #: 89 total cpu time spent up to now is 536.7 secs Computing kpt #: 90 total cpu time spent up to now is 542.1 secs Computing kpt #: 91 total cpu time spent up to now is 547.7 secs Computing kpt #: 92 total cpu time spent up to now is 553.1 secs Computing kpt #: 93 total cpu time spent up to now is 558.5 secs Computing kpt #: 94 total cpu time spent up to now is 563.6 secs Computing kpt #: 95 total cpu time spent up to now is 568.8 secs Computing kpt #: 96 total cpu time spent up to now is 573.8 secs Computing kpt #: 97 total cpu time spent up to now is 579.8 secs Computing kpt #: 98 total cpu time spent up to now is 586.8 secs Computing kpt #: 99 total cpu time spent up to now is 592.7 secs Computing kpt #: 100 total cpu time spent up to now is 598.6 secs Computing kpt #: 101 total cpu time spent up to now is 603.8 secs Computing kpt #: 102 total cpu time spent up to now is 610.3 secs Computing kpt #: 103 total cpu time spent up to now is 615.9 secs Computing kpt #: 104 total cpu time spent up to now is 622.7 secs Computing kpt #: 105 total cpu time spent up to now is 628.8 secs Computing kpt #: 106 total cpu time spent up to now is 634.6 secs Computing kpt #: 107 total cpu time spent up to now is 639.9 secs Computing kpt #: 108 total cpu time spent up to now is 645.8 secs Computing kpt #: 109 total cpu time spent up to now is 651.1 secs Computing kpt #: 110 total cpu time spent up to now is 656.8 secs Computing kpt #: 111 total cpu time spent up to now is 662.3 secs Computing kpt #: 112 total cpu time spent up to now is 668.4 secs Computing kpt #: 113 total cpu time spent up to now is 673.7 secs Computing kpt #: 114 total cpu time spent up to now is 678.9 secs Computing kpt #: 115 total cpu time spent up to now is 684.6 secs Computing kpt #: 116 total cpu time spent up to now is 689.9 secs Computing kpt #: 117 total cpu time spent up to now is 695.1 secs Computing kpt #: 118 total cpu time spent up to now is 700.3 secs Computing kpt #: 119 total cpu time spent up to now is 706.1 secs Computing kpt #: 120 total cpu time spent up to now is 712.0 secs Computing kpt #: 121 total cpu time spent up to now is 718.3 secs Computing kpt #: 122 total cpu time spent up to now is 723.6 secs Computing kpt #: 123 total cpu time spent up to now is 729.1 secs Computing kpt #: 124 total cpu time spent up to now is 734.4 secs Computing kpt #: 125 total cpu time spent up to now is 740.4 secs Computing kpt #: 126 total cpu time spent up to now is 746.7 secs Computing kpt #: 127 total cpu time spent up to now is 752.5 secs Computing kpt #: 128 total cpu time spent up to now is 758.8 secs Computing kpt #: 129 total cpu time spent up to now is 764.6 secs Computing kpt #: 130 total cpu time spent up to now is 769.8 secs Computing kpt #: 131 total cpu time spent up to now is 775.4 secs Computing kpt #: 132 total cpu time spent up to now is 780.9 secs Computing kpt #: 133 total cpu time spent up to now is 787.2 secs Computing kpt #: 134 total cpu time spent up to now is 792.5 secs Computing kpt #: 135 total cpu time spent up to now is 797.9 secs Computing kpt #: 136 total cpu time spent up to now is 803.2 secs Computing kpt #: 137 total cpu time spent up to now is 809.7 secs Computing kpt #: 138 total cpu time spent up to now is 815.8 secs Computing kpt #: 139 total cpu time spent up to now is 821.4 secs Computing kpt #: 140 total cpu time spent up to now is 827.4 secs Computing kpt #: 141 total cpu time spent up to now is 833.0 secs Computing kpt #: 142 total cpu time spent up to now is 839.4 secs Computing kpt #: 143 total cpu time spent up to now is 845.4 secs Computing kpt #: 144 total cpu time spent up to now is 851.0 secs Computing kpt #: 145 total cpu time spent up to now is 857.3 secs Computing kpt #: 146 total cpu time spent up to now is 863.2 secs Computing kpt #: 147 total cpu time spent up to now is 868.9 secs Computing kpt #: 148 total cpu time spent up to now is 874.4 secs Computing kpt #: 149 total cpu time spent up to now is 880.0 secs Computing kpt #: 150 total cpu time spent up to now is 885.3 secs Computing kpt #: 151 total cpu time spent up to now is 890.5 secs Computing kpt #: 152 total cpu time spent up to now is 895.5 secs Computing kpt #: 153 total cpu time spent up to now is 900.9 secs Computing kpt #: 154 total cpu time spent up to now is 905.9 secs Computing kpt #: 155 total cpu time spent up to now is 911.0 secs Computing kpt #: 156 total cpu time spent up to now is 916.0 secs Computing kpt #: 157 total cpu time spent up to now is 921.1 secs Computing kpt #: 158 total cpu time spent up to now is 928.3 secs Computing kpt #: 159 total cpu time spent up to now is 933.8 secs Computing kpt #: 160 total cpu time spent up to now is 938.7 secs Computing kpt #: 161 total cpu time spent up to now is 944.4 secs Computing kpt #: 162 total cpu time spent up to now is 949.7 secs Computing kpt #: 163 total cpu time spent up to now is 954.6 secs Computing kpt #: 164 total cpu time spent up to now is 959.5 secs Computing kpt #: 165 total cpu time spent up to now is 965.0 secs Computing kpt #: 166 total cpu time spent up to now is 970.8 secs Computing kpt #: 167 total cpu time spent up to now is 977.4 secs Computing kpt #: 168 total cpu time spent up to now is 983.7 secs Computing kpt #: 169 total cpu time spent up to now is 989.5 secs Computing kpt #: 170 total cpu time spent up to now is 996.4 secs Computing kpt #: 171 total cpu time spent up to now is 1002.0 secs Computing kpt #: 172 total cpu time spent up to now is 1009.9 secs Computing kpt #: 173 total cpu time spent up to now is 1015.5 secs Computing kpt #: 174 total cpu time spent up to now is 1021.4 secs Computing kpt #: 175 total cpu time spent up to now is 1027.1 secs Computing kpt #: 176 total cpu time spent up to now is 1032.5 secs Computing kpt #: 177 total cpu time spent up to now is 1037.9 secs Computing kpt #: 178 total cpu time spent up to now is 1043.7 secs Computing kpt #: 179 total cpu time spent up to now is 1049.3 secs Computing kpt #: 180 total cpu time spent up to now is 1056.0 secs Computing kpt #: 181 total cpu time spent up to now is 1062.4 secs Computing kpt #: 182 total cpu time spent up to now is 1068.0 secs Computing kpt #: 183 total cpu time spent up to now is 1073.4 secs Computing kpt #: 184 total cpu time spent up to now is 1080.0 secs Computing kpt #: 185 total cpu time spent up to now is 1085.5 secs Computing kpt #: 186 total cpu time spent up to now is 1091.0 secs Computing kpt #: 187 total cpu time spent up to now is 1096.7 secs Computing kpt #: 188 total cpu time spent up to now is 1102.2 secs Computing kpt #: 189 total cpu time spent up to now is 1108.6 secs Computing kpt #: 190 total cpu time spent up to now is 1113.8 secs Computing kpt #: 191 total cpu time spent up to now is 1120.8 secs Computing kpt #: 192 total cpu time spent up to now is 1126.7 secs Computing kpt #: 193 total cpu time spent up to now is 1132.4 secs Computing kpt #: 194 total cpu time spent up to now is 1139.6 secs Computing kpt #: 195 total cpu time spent up to now is 1145.5 secs Computing kpt #: 196 total cpu time spent up to now is 1151.6 secs Computing kpt #: 197 total cpu time spent up to now is 1157.6 secs Computing kpt #: 198 total cpu time spent up to now is 1163.9 secs Computing kpt #: 199 total cpu time spent up to now is 1169.6 secs Computing kpt #: 200 total cpu time spent up to now is 1175.0 secs Computing kpt #: 201 total cpu time spent up to now is 1181.3 secs Computing kpt #: 202 total cpu time spent up to now is 1187.2 secs Computing kpt #: 203 total cpu time spent up to now is 1192.7 secs Computing kpt #: 204 total cpu time spent up to now is 1198.7 secs Computing kpt #: 205 total cpu time spent up to now is 1204.3 secs Computing kpt #: 206 total cpu time spent up to now is 1210.2 secs Computing kpt #: 207 total cpu time spent up to now is 1215.9 secs Computing kpt #: 208 total cpu time spent up to now is 1221.1 secs Computing kpt #: 209 total cpu time spent up to now is 1227.1 secs Computing kpt #: 210 total cpu time spent up to now is 1232.6 secs Computing kpt #: 211 total cpu time spent up to now is 1238.2 secs Computing kpt #: 212 total cpu time spent up to now is 1246.4 secs Computing kpt #: 213 total cpu time spent up to now is 1251.8 secs Computing kpt #: 214 total cpu time spent up to now is 1257.3 secs Computing kpt #: 215 total cpu time spent up to now is 1262.9 secs Computing kpt #: 216 total cpu time spent up to now is 1268.4 secs Computing kpt #: 217 total cpu time spent up to now is 1274.3 secs Computing kpt #: 218 total cpu time spent up to now is 1279.9 secs Computing kpt #: 219 total cpu time spent up to now is 1285.6 secs Computing kpt #: 220 total cpu time spent up to now is 1291.4 secs Computing kpt #: 221 total cpu time spent up to now is 1296.5 secs Computing kpt #: 222 total cpu time spent up to now is 1302.5 secs Computing kpt #: 223 total cpu time spent up to now is 1307.6 secs Computing kpt #: 224 total cpu time spent up to now is 1313.4 secs Computing kpt #: 225 total cpu time spent up to now is 1318.9 secs Computing kpt #: 226 total cpu time spent up to now is 1325.2 secs Computing kpt #: 227 total cpu time spent up to now is 1331.0 secs Computing kpt #: 228 total cpu time spent up to now is 1336.4 secs Computing kpt #: 229 total cpu time spent up to now is 1343.0 secs Computing kpt #: 230 total cpu time spent up to now is 1351.0 secs Computing kpt #: 231 total cpu time spent up to now is 1356.8 secs Computing kpt #: 232 total cpu time spent up to now is 1362.9 secs Computing kpt #: 233 total cpu time spent up to now is 1369.4 secs Computing kpt #: 234 total cpu time spent up to now is 1375.5 secs Computing kpt #: 235 total cpu time spent up to now is 1381.8 secs Computing kpt #: 236 total cpu time spent up to now is 1387.0 secs Computing kpt #: 237 total cpu time spent up to now is 1394.4 secs Computing kpt #: 238 total cpu time spent up to now is 1400.0 secs Computing kpt #: 239 total cpu time spent up to now is 1406.4 secs Computing kpt #: 240 total cpu time spent up to now is 1412.9 secs Computing kpt #: 241 total cpu time spent up to now is 1419.0 secs Computing kpt #: 242 total cpu time spent up to now is 1425.7 secs Computing kpt #: 243 total cpu time spent up to now is 1432.0 secs Computing kpt #: 244 total cpu time spent up to now is 1437.2 secs Computing kpt #: 245 total cpu time spent up to now is 1442.9 secs Computing kpt #: 246 total cpu time spent up to now is 1448.5 secs Computing kpt #: 247 total cpu time spent up to now is 1454.5 secs Computing kpt #: 248 total cpu time spent up to now is 1460.3 secs Computing kpt #: 249 total cpu time spent up to now is 1465.8 secs Computing kpt #: 250 total cpu time spent up to now is 1471.7 secs Computing kpt #: 251 total cpu time spent up to now is 1477.0 secs Computing kpt #: 252 total cpu time spent up to now is 1482.9 secs Computing kpt #: 253 total cpu time spent up to now is 1488.2 secs Computing kpt #: 254 total cpu time spent up to now is 1494.5 secs Computing kpt #: 255 total cpu time spent up to now is 1500.8 secs Computing kpt #: 256 total cpu time spent up to now is 1506.3 secs Computing kpt #: 257 total cpu time spent up to now is 1513.1 secs Computing kpt #: 258 total cpu time spent up to now is 1518.5 secs Computing kpt #: 259 total cpu time spent up to now is 1523.9 secs Computing kpt #: 260 total cpu time spent up to now is 1529.2 secs Computing kpt #: 261 total cpu time spent up to now is 1534.2 secs Computing kpt #: 262 total cpu time spent up to now is 1539.9 secs Computing kpt #: 263 total cpu time spent up to now is 1545.5 secs Computing kpt #: 264 total cpu time spent up to now is 1550.5 secs Computing kpt #: 265 total cpu time spent up to now is 1556.4 secs Computing kpt #: 266 total cpu time spent up to now is 1562.6 secs Computing kpt #: 267 total cpu time spent up to now is 1569.0 secs Computing kpt #: 268 total cpu time spent up to now is 1575.1 secs Computing kpt #: 269 total cpu time spent up to now is 1581.0 secs Computing kpt #: 270 total cpu time spent up to now is 1586.1 secs Computing kpt #: 271 total cpu time spent up to now is 1591.3 secs Computing kpt #: 272 total cpu time spent up to now is 1597.6 secs Computing kpt #: 273 total cpu time spent up to now is 1603.5 secs Computing kpt #: 274 total cpu time spent up to now is 1610.6 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1619.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1628.9 secs Computing kpt #: 277 total cpu time spent up to now is 1635.1 secs Computing kpt #: 278 total cpu time spent up to now is 1642.7 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1650.9 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1659.3 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1667.8 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1676.9 secs Computing kpt #: 283 total cpu time spent up to now is 1684.0 secs Computing kpt #: 284 total cpu time spent up to now is 1689.3 secs Computing kpt #: 285 total cpu time spent up to now is 1695.2 secs Computing kpt #: 286 total cpu time spent up to now is 1701.5 secs Computing kpt #: 287 total cpu time spent up to now is 1707.3 secs Computing kpt #: 288 total cpu time spent up to now is 1714.5 secs Computing kpt #: 289 total cpu time spent up to now is 1720.1 secs Computing kpt #: 290 total cpu time spent up to now is 1726.1 secs Computing kpt #: 291 total cpu time spent up to now is 1730.4 secs Computing kpt #: 292 total cpu time spent up to now is 1737.4 secs Computing kpt #: 293 total cpu time spent up to now is 1742.8 secs Computing kpt #: 294 total cpu time spent up to now is 1749.2 secs Computing kpt #: 295 total cpu time spent up to now is 1755.1 secs Computing kpt #: 296 total cpu time spent up to now is 1760.6 secs Computing kpt #: 297 total cpu time spent up to now is 1766.6 secs Computing kpt #: 298 total cpu time spent up to now is 1773.2 secs Computing kpt #: 299 total cpu time spent up to now is 1779.7 secs Computing kpt #: 300 total cpu time spent up to now is 1785.4 secs Computing kpt #: 301 total cpu time spent up to now is 1791.1 secs Computing kpt #: 302 total cpu time spent up to now is 1796.4 secs Computing kpt #: 303 total cpu time spent up to now is 1801.9 secs Computing kpt #: 304 total cpu time spent up to now is 1808.6 secs Computing kpt #: 305 total cpu time spent up to now is 1814.2 secs Computing kpt #: 306 total cpu time spent up to now is 1820.4 secs Computing kpt #: 307 total cpu time spent up to now is 1825.9 secs Computing kpt #: 308 total cpu time spent up to now is 1832.3 secs Computing kpt #: 309 total cpu time spent up to now is 1837.9 secs Computing kpt #: 310 total cpu time spent up to now is 1844.2 secs Computing kpt #: 311 total cpu time spent up to now is 1850.5 secs Computing kpt #: 312 total cpu time spent up to now is 1855.7 secs Computing kpt #: 313 total cpu time spent up to now is 1861.3 secs Computing kpt #: 314 total cpu time spent up to now is 1866.8 secs Computing kpt #: 315 total cpu time spent up to now is 1872.3 secs Computing kpt #: 316 total cpu time spent up to now is 1878.6 secs Computing kpt #: 317 total cpu time spent up to now is 1884.9 secs Computing kpt #: 318 total cpu time spent up to now is 1890.3 secs Computing kpt #: 319 total cpu time spent up to now is 1896.7 secs Computing kpt #: 320 total cpu time spent up to now is 1903.7 secs Computing kpt #: 321 total cpu time spent up to now is 1910.1 secs Computing kpt #: 322 total cpu time spent up to now is 1915.9 secs Computing kpt #: 323 total cpu time spent up to now is 1921.5 secs Computing kpt #: 324 total cpu time spent up to now is 1927.2 secs Computing kpt #: 325 total cpu time spent up to now is 1933.5 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1944.0 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1952.9 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1961.6 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1969.7 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1978.6 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1987.3 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1996.1 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2004.9 secs Computing kpt #: 334 total cpu time spent up to now is 2011.3 secs ethr = 1.92E-11, avg # of iterations = 43.8 total cpu time spent up to now is 2011.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7833 PWs) bands (ev): -8.9554 -8.9554 -8.7714 -8.7714 -8.4261 -8.4261 -8.1785 -8.1785 -4.0333 -4.0333 -3.9871 -3.9871 -3.5810 -3.5810 -3.5796 -3.5796 -2.5915 -2.5915 -2.4869 -2.4869 -2.0333 -2.0333 -2.0236 -2.0236 -1.6529 -1.6529 -1.6492 -1.6492 -0.5822 -0.5822 -0.1707 -0.1707 0.9411 0.9411 1.6408 1.6408 2.4372 2.4372 2.6263 2.6263 2.7080 2.7080 2.8366 2.8366 3.1555 3.1555 3.3475 3.3475 3.3668 3.3668 3.4177 3.4177 5.4807 5.4807 6.5748 6.5748 7.2383 7.2383 7.3955 7.3955 8.5769 8.5769 k = 0.0074 0.0118-0.0000 ( 7829 PWs) bands (ev): -8.9550 -8.9550 -8.7711 -8.7711 -8.4259 -8.4259 -8.1785 -8.1784 -4.0332 -4.0332 -3.9870 -3.9870 -3.5810 -3.5810 -3.5795 -3.5795 -2.5914 -2.5913 -2.4869 -2.4868 -2.0333 -2.0333 -2.0236 -2.0235 -1.6529 -1.6529 -1.6492 -1.6491 -0.5820 -0.5817 -0.1713 -0.1711 0.9409 0.9414 1.6397 1.6405 2.4350 2.4370 2.6213 2.6260 2.7019 2.7100 2.8316 2.8402 3.1522 3.1549 3.3354 3.3524 3.3613 3.3694 3.4075 3.4258 5.4823 5.4845 6.5733 6.5749 7.2414 7.2435 7.3988 7.4014 8.5744 8.5758 k = 0.0149 0.0235-0.0000 ( 7829 PWs) bands (ev): -8.9538 -8.9538 -8.7701 -8.7701 -8.4252 -8.4252 -8.1782 -8.1782 -4.0330 -4.0329 -3.9868 -3.9867 -3.5808 -3.5808 -3.5794 -3.5794 -2.5912 -2.5909 -2.4868 -2.4866 -2.0333 -2.0332 -2.0236 -2.0234 -1.6527 -1.6526 -1.6490 -1.6489 -0.5810 -0.5804 -0.1731 -0.1726 0.9406 0.9416 1.6373 1.6390 2.4304 2.4342 2.6111 2.6204 2.6920 2.7080 2.8253 2.8423 3.1449 3.1503 3.3193 3.3443 3.3562 3.3674 3.3979 3.4305 5.4893 5.4937 6.5706 6.5736 7.2529 7.2570 7.4112 7.4164 8.5685 8.5712 k = 0.0223 0.0353-0.0000 ( 7823 PWs) bands (ev): -8.9518 -8.9518 -8.7685 -8.7685 -8.4241 -8.4241 -8.1778 -8.1778 -4.0325 -4.0324 -3.9864 -3.9862 -3.5805 -3.5805 -3.5792 -3.5791 -2.5907 -2.5902 -2.4866 -2.4862 -2.0332 -2.0330 -2.0235 -2.0233 -1.6524 -1.6523 -1.6487 -1.6485 -0.5793 -0.5784 -0.1759 -0.1752 0.9402 0.9418 1.6337 1.6362 2.4231 2.4288 2.5957 2.6096 2.6784 2.7022 2.8177 2.8431 3.1334 3.1414 3.3008 3.3294 3.3439 3.3604 3.3912 3.4310 5.5016 5.5080 6.5666 6.5710 7.2724 7.2785 7.4323 7.4402 8.5594 8.5636 k = 0.0298 0.0471-0.0000 ( 7821 PWs) bands (ev): -8.9490 -8.9490 -8.7663 -8.7663 -8.4225 -8.4225 -8.1772 -8.1772 -4.0319 -4.0317 -3.9858 -3.9855 -3.5801 -3.5800 -3.5788 -3.5788 -2.5900 -2.5894 -2.4863 -2.4857 -2.0331 -2.0329 -2.0234 -2.0231 -1.6520 -1.6518 -1.6482 -1.6480 -0.5768 -0.5757 -0.1798 -0.1788 0.9398 0.9419 1.6287 1.6320 2.4130 2.4202 2.5757 2.5939 2.6619 2.6929 2.8088 2.8424 3.1171 3.1276 3.2810 3.3112 3.3243 3.3485 3.3853 3.4272 5.5188 5.5272 6.5612 6.5671 7.2996 7.3075 7.4614 7.4722 8.5474 8.5534 k = 0.0372 0.0589-0.0000 ( 7813 PWs) bands (ev): -8.9454 -8.9454 -8.7635 -8.7635 -8.4205 -8.4205 -8.1765 -8.1765 -4.0310 -4.0308 -3.9850 -3.9847 -3.5796 -3.5795 -3.5784 -3.5783 -2.5890 -2.5883 -2.4858 -2.4851 -2.0329 -2.0327 -2.0233 -2.0228 -1.6515 -1.6512 -1.6477 -1.6474 -0.5737 -0.5723 -0.1847 -0.1835 0.9393 0.9418 1.6225 1.6266 2.3998 2.4082 2.5513 2.5737 2.6430 2.6808 2.7987 2.8402 3.0958 3.1084 3.2608 3.2885 3.3025 3.3320 3.3774 3.4189 5.5405 5.5508 6.5547 6.5619 7.3337 7.3433 7.4978 7.5116 8.5333 8.5414 k = 0.0447 0.0706-0.0000 ( 7819 PWs) bands (ev): -8.9411 -8.9411 -8.7601 -8.7601 -8.4181 -8.4181 -8.1757 -8.1757 -4.0300 -4.0297 -3.9841 -3.9837 -3.5789 -3.5788 -3.5779 -3.5778 -2.5879 -2.5870 -2.4853 -2.4844 -2.0327 -2.0324 -2.0230 -2.0226 -1.6509 -1.6505 -1.6470 -1.6467 -0.5698 -0.5681 -0.1906 -0.1892 0.9387 0.9416 1.6150 1.6199 2.3832 2.3920 2.5230 2.5492 2.6227 2.6662 2.7872 2.8366 3.0693 3.0838 3.2409 3.2596 3.2827 3.3112 3.3664 3.4063 5.5665 5.5785 6.5468 6.5553 7.3742 7.3852 7.5403 7.5574 8.5176 8.5277 k = 0.0521 0.0824-0.0000 ( 7815 PWs) bands (ev): -8.9359 -8.9359 -8.7561 -8.7561 -8.4153 -8.4152 -8.1747 -8.1747 -4.0288 -4.0285 -3.9829 -3.9825 -3.5782 -3.5781 -3.5773 -3.5772 -2.5866 -2.5855 -2.4846 -2.4836 -2.0325 -2.0321 -2.0228 -2.0222 -1.6502 -1.6497 -1.6462 -1.6459 -0.5653 -0.5633 -0.1975 -0.1959 0.9379 0.9412 1.6063 1.6119 2.3630 2.3711 2.4913 2.5210 2.6017 2.6499 2.7743 2.8314 3.0378 3.0540 3.2216 3.2258 3.2648 3.2866 3.3519 3.3895 5.5960 5.6097 6.5377 6.5475 7.4201 7.4322 7.5877 7.6083 8.5009 8.5101 k = 0.0596 0.0942-0.0000 ( 7803 PWs) bands (ev): -8.9301 -8.9301 -8.7515 -8.7515 -8.4120 -8.4120 -8.1736 -8.1736 -4.0274 -4.0270 -3.9816 -3.9811 -3.5774 -3.5772 -3.5766 -3.5765 -2.5850 -2.5838 -2.4838 -2.4827 -2.0322 -2.0318 -2.0225 -2.0218 -1.6494 -1.6488 -1.6452 -1.6449 -0.5601 -0.5579 -0.2053 -0.2035 0.9369 0.9405 1.5963 1.6027 2.3390 2.3451 2.4566 2.4896 2.5810 2.6323 2.7598 2.8246 3.0022 3.0199 3.1886 3.2024 3.2476 3.2587 3.3343 3.3690 5.6285 5.6438 6.5273 6.5383 7.4704 7.4834 7.6385 7.6628 8.4843 8.4934 k = 0.0670 0.1060-0.0000 ( 7799 PWs) bands (ev): -8.9235 -8.9235 -8.7464 -8.7464 -8.4084 -8.4084 -8.1724 -8.1724 -4.0258 -4.0254 -3.9801 -3.9796 -3.5764 -3.5762 -3.5758 -3.5757 -2.5833 -2.5819 -2.4829 -2.4817 -2.0318 -2.0314 -2.0221 -2.0214 -1.6486 -1.6479 -1.6443 -1.6439 -0.5543 -0.5518 -0.2141 -0.2120 0.9356 0.9395 1.5852 1.5922 2.3113 2.3140 2.4191 2.4554 2.5610 2.6137 2.7435 2.8161 2.9632 2.9825 3.1489 3.1830 3.2282 3.2305 3.3138 3.3451 5.6635 5.6802 6.5156 6.5278 7.5241 7.5374 7.6910 7.7193 8.4687 8.4786 k = 0.0745 0.1177-0.0000 ( 7815 PWs) bands (ev): -8.9162 -8.9162 -8.7408 -8.7407 -8.4044 -8.4044 -8.1711 -8.1711 -4.0240 -4.0236 -3.9785 -3.9779 -3.5754 -3.5752 -3.5750 -3.5748 -2.5813 -2.5799 -2.4820 -2.4806 -2.0314 -2.0309 -2.0217 -2.0209 -1.6478 -1.6469 -1.6432 -1.6428 -0.5479 -0.5452 -0.2236 -0.2213 0.9340 0.9381 1.5729 1.5805 2.2782 2.2800 2.3791 2.4188 2.5420 2.5944 2.7250 2.8056 2.9217 2.9429 3.1074 3.1624 3.1961 3.2127 3.2913 3.3184 5.7003 5.7185 6.5025 6.5161 7.5801 7.5931 7.7433 7.7756 8.4552 8.4670 k = 0.0819 0.1295-0.0000 ( 7813 PWs) bands (ev): -8.9083 -8.9083 -8.7346 -8.7346 -8.4001 -8.4000 -8.1697 -8.1697 -4.0221 -4.0216 -3.9767 -3.9760 -3.5744 -3.5741 -3.5740 -3.5738 -2.5792 -2.5776 -2.4809 -2.4794 -2.0309 -2.0304 -2.0212 -2.0204 -1.6469 -1.6458 -1.6421 -1.6416 -0.5410 -0.5380 -0.2339 -0.2314 0.9320 0.9362 1.5596 1.5676 2.2385 2.2456 2.3368 2.3802 2.5235 2.5744 2.7037 2.7930 2.8785 2.9021 3.0649 3.1397 3.1639 3.1933 3.2674 3.2895 5.7384 5.7580 6.4881 6.5031 7.6371 7.6490 7.7933 7.8294 8.4447 8.4577 k = 0.0894 0.1413-0.0000 ( 7809 PWs) bands (ev): -8.8997 -8.8997 -8.7280 -8.7280 -8.3954 -8.3954 -8.1683 -8.1683 -4.0199 -4.0194 -3.9747 -3.9740 -3.5733 -3.5730 -3.5729 -3.5727 -2.5769 -2.5752 -2.4798 -2.4781 -2.0304 -2.0299 -2.0207 -2.0197 -1.6460 -1.6447 -1.6410 -1.6404 -0.5337 -0.5304 -0.2449 -0.2423 0.9295 0.9338 1.5452 1.5535 2.1956 2.2085 2.2925 2.3400 2.5053 2.5534 2.6791 2.7776 2.8344 2.8610 3.0224 3.1128 3.1337 3.1718 3.2432 3.2593 5.7771 5.7981 6.4725 6.4889 7.6937 7.7036 7.8389 7.8782 8.4377 8.4518 k = 0.0968 0.1530-0.0000 ( 7809 PWs) bands (ev): -8.8905 -8.8905 -8.7210 -8.7209 -8.3904 -8.3904 -8.1668 -8.1668 -4.0176 -4.0170 -3.9726 -3.9718 -3.5722 -3.5719 -3.5717 -3.5714 -2.5745 -2.5726 -2.4785 -2.4767 -2.0298 -2.0292 -2.0201 -2.0191 -1.6451 -1.6436 -1.6398 -1.6391 -0.5259 -0.5224 -0.2565 -0.2537 0.9265 0.9308 1.5299 1.5383 2.1506 2.1694 2.2464 2.2986 2.4867 2.5311 2.6507 2.7588 2.7903 2.8199 2.9811 3.0820 3.1062 3.1475 3.2195 3.2284 5.8160 5.8384 6.4555 6.4735 7.7486 7.7552 7.8784 7.9198 8.4350 8.4497 k = 0.1043 0.1648-0.0000 ( 7813 PWs) bands (ev): -8.8808 -8.8808 -8.7135 -8.7134 -8.3852 -8.3851 -8.1653 -8.1653 -4.0151 -4.0144 -3.9703 -3.9694 -3.5711 -3.5707 -3.5704 -3.5701 -2.5719 -2.5698 -2.4772 -2.4752 -2.0292 -2.0286 -2.0194 -2.0183 -1.6443 -1.6425 -1.6387 -1.6379 -0.5178 -0.5141 -0.2687 -0.2657 0.9229 0.9271 1.5136 1.5219 2.1040 2.1288 2.1989 2.2563 2.4671 2.5073 2.6183 2.7343 2.7485 2.7786 2.9425 3.0502 3.0791 3.1206 3.1969 3.1976 5.8544 5.8784 6.4374 6.4571 7.8002 7.8023 7.9107 7.9525 8.4377 8.4522 k = 0.1117 0.1766-0.0000 ( 7805 PWs) bands (ev): -8.8704 -8.8704 -8.7057 -8.7056 -8.3797 -8.3796 -8.1637 -8.1637 -4.0124 -4.0117 -3.9678 -3.9669 -3.5700 -3.5695 -3.5691 -3.5687 -2.5691 -2.5669 -2.4759 -2.4737 -2.0285 -2.0278 -2.0186 -2.0175 -1.6434 -1.6415 -1.6376 -1.6367 -0.5094 -0.5055 -0.2813 -0.2782 0.9187 0.9227 1.4966 1.5045 2.0566 2.0873 2.1504 2.2136 2.4460 2.4814 2.5820 2.6973 2.7153 2.7363 2.9078 3.0198 3.0511 3.0916 3.1677 3.1752 5.8920 5.9176 6.4182 6.4397 7.8434 7.8473 7.9359 7.9760 8.4466 8.4598 k = 0.1192 0.1884-0.0000 ( 7801 PWs) bands (ev): -8.8596 -8.8596 -8.6975 -8.6974 -8.3740 -8.3739 -8.1622 -8.1622 -4.0095 -4.0087 -3.9652 -3.9642 -3.5688 -3.5683 -3.5677 -3.5673 -2.5662 -2.5638 -2.4744 -2.4721 -2.0277 -2.0270 -2.0178 -2.0166 -1.6426 -1.6404 -1.6366 -1.6355 -0.5009 -0.4967 -0.2942 -0.2910 0.9138 0.9175 1.4787 1.4860 2.0090 2.0453 2.1012 2.1707 2.4230 2.4531 2.5425 2.6550 2.6838 2.6924 2.8780 2.9918 3.0221 3.0613 3.1390 3.1542 5.9283 5.9555 6.3980 6.4213 7.8774 7.8883 7.9548 7.9909 8.4624 8.4730 k = 0.1266 0.2001-0.0000 ( 7801 PWs) bands (ev): -8.8483 -8.8483 -8.6890 -8.6889 -8.3681 -8.3680 -8.1607 -8.1607 -4.0065 -4.0056 -3.9625 -3.9614 -3.5676 -3.5670 -3.5663 -3.5658 -2.5632 -2.5606 -2.4730 -2.4705 -2.0268 -2.0261 -2.0169 -2.0156 -1.6419 -1.6394 -1.6356 -1.6343 -0.4922 -0.4879 -0.3074 -0.3040 0.9082 0.9115 1.4602 1.4665 1.9615 2.0032 2.0516 2.1282 2.3977 2.4219 2.5007 2.6125 2.6464 2.6487 2.8532 2.9665 2.9927 3.0306 3.1116 3.1337 5.9629 5.9919 6.3768 6.4022 7.9042 7.9220 7.9693 7.9988 8.4850 8.4922 k = 0.1341 0.2119-0.0000 ( 7797 PWs) bands (ev): -8.8366 -8.8366 -8.6802 -8.6801 -8.3620 -8.3619 -8.1593 -8.1592 -4.0033 -4.0024 -3.9596 -3.9585 -3.5663 -3.5657 -3.5649 -3.5643 -2.5601 -2.5573 -2.4715 -2.4688 -2.0258 -2.0251 -2.0159 -2.0146 -1.6412 -1.6385 -1.6348 -1.6333 -0.4835 -0.4791 -0.3207 -0.3172 0.9019 0.9047 1.4410 1.4461 1.9147 1.9614 2.0019 2.0863 2.3700 2.3877 2.4572 2.5705 2.5989 2.6097 2.8329 2.9435 2.9642 3.0002 3.0858 3.1136 5.9956 6.0264 6.3549 6.3824 7.9242 7.9472 7.9819 8.0012 8.5139 8.5170 k = 0.1415 0.2237-0.0000 ( 7795 PWs) bands (ev): -8.8245 -8.8244 -8.6712 -8.6711 -8.3558 -8.3557 -8.1579 -8.1579 -3.9999 -3.9989 -3.9566 -3.9554 -3.5650 -3.5644 -3.5635 -3.5628 -2.5568 -2.5539 -2.4699 -2.4671 -2.0248 -2.0241 -2.0148 -2.0134 -1.6407 -1.6377 -1.6341 -1.6323 -0.4750 -0.4704 -0.3340 -0.3305 0.8948 0.8971 1.4212 1.4249 1.8690 1.9202 1.9523 2.0453 2.3400 2.3502 2.4126 2.5287 2.5505 2.5676 2.8164 2.9211 2.9384 2.9704 3.0617 3.0940 6.0259 6.0586 6.3323 6.3622 7.9386 7.9627 7.9951 7.9993 8.5467 8.5477 k = 0.1490 0.2355-0.0000 ( 7795 PWs) bands (ev): -8.8120 -8.8120 -8.6620 -8.6619 -8.3494 -8.3493 -8.1566 -8.1566 -3.9963 -3.9953 -3.9535 -3.9522 -3.5638 -3.5631 -3.5621 -3.5613 -2.5534 -2.5504 -2.4683 -2.4653 -2.0236 -2.0229 -2.0136 -2.0122 -1.6402 -1.6369 -1.6335 -1.6315 -0.4666 -0.4619 -0.3473 -0.3437 0.8870 0.8887 1.4008 1.4029 1.8245 1.8796 1.9031 2.0056 2.3079 2.3093 2.3675 2.4871 2.5022 2.5230 2.8026 2.8975 2.9168 2.9415 3.0396 3.0752 6.0537 6.0883 6.3092 6.3415 7.9486 7.9708 7.9943 8.0086 8.5800 8.5850 k = 0.1564 0.2472-0.0000 ( 7791 PWs) bands (ev): -8.7992 -8.7992 -8.6527 -8.6526 -8.3430 -8.3429 -8.1554 -8.1554 -3.9926 -3.9915 -3.9503 -3.9489 -3.5625 -3.5617 -3.5607 -3.5599 -2.5500 -2.5468 -2.4668 -2.4636 -2.0224 -2.0217 -2.0124 -2.0109 -1.6399 -1.6363 -1.6331 -1.6308 -0.4585 -0.4537 -0.3604 -0.3568 0.8784 0.8795 1.3797 1.3802 1.7818 1.8399 1.8544 1.9674 2.2653 2.2738 2.3220 2.4454 2.4551 2.4771 2.7909 2.8732 2.8981 2.9135 3.0202 3.0574 6.0786 6.1153 6.2857 6.3207 7.9557 7.9748 7.9868 8.0208 8.6148 8.6244 k = 0.1639 0.2590-0.0000 ( 7775 PWs) bands (ev): -8.7862 -8.7861 -8.6432 -8.6431 -8.3365 -8.3364 -8.1543 -8.1543 -3.9887 -3.9876 -3.9469 -3.9455 -3.5612 -3.5604 -3.5593 -3.5584 -2.5465 -2.5431 -2.4652 -2.4618 -2.0210 -2.0204 -2.0110 -2.0096 -1.6396 -1.6357 -1.6328 -1.6302 -0.4508 -0.4460 -0.3732 -0.3695 0.8693 0.8696 1.3568 1.3578 1.7411 1.8012 1.8063 1.9309 2.2185 2.2381 2.2759 2.4029 2.4103 2.4313 2.7803 2.8495 2.8801 2.8862 3.0042 3.0413 6.1005 6.1390 6.2622 6.3000 7.9608 7.9766 7.9775 8.0313 8.6458 8.6635 k = 0.1713 0.2708-0.0000 ( 7785 PWs) bands (ev): -8.7729 -8.7729 -8.6337 -8.6336 -8.3301 -8.3299 -8.1533 -8.1533 -3.9847 -3.9835 -3.9435 -3.9420 -3.5599 -3.5590 -3.5579 -3.5570 -2.5429 -2.5394 -2.4636 -2.4601 -2.0196 -2.0190 -2.0096 -2.0081 -1.6395 -1.6353 -1.6327 -1.6298 -0.4437 -0.4389 -0.3856 -0.3819 0.8591 0.8595 1.3329 1.3351 1.7026 1.7591 1.7634 1.8960 2.1697 2.2008 2.2289 2.3586 2.3685 2.3880 2.7701 2.8263 2.8594 2.8617 2.9922 3.0272 6.1188 6.1591 6.2391 6.2801 7.9641 7.9675 7.9769 8.0405 8.6602 8.6857 k = 0.1788 0.2825-0.0000 ( 7781 PWs) bands (ev): -8.7595 -8.7595 -8.6241 -8.6240 -8.3236 -8.3235 -8.1526 -8.1526 -3.9805 -3.9793 -3.9399 -3.9384 -3.5586 -3.5577 -3.5566 -3.5556 -2.5392 -2.5356 -2.4621 -2.4584 -2.0180 -2.0174 -2.0081 -2.0066 -1.6395 -1.6350 -1.6327 -1.6295 -0.4372 -0.4325 -0.3976 -0.3937 0.8480 0.8491 1.3084 1.3114 1.6664 1.7131 1.7267 1.8630 2.1197 2.1622 2.1809 2.3118 2.3306 2.3489 2.7593 2.8028 2.8334 2.8430 2.9844 3.0157 6.1324 6.1742 6.2175 6.2621 7.9551 7.9684 7.9762 8.0491 8.6596 8.6874 k = 0.1862 0.2943-0.0000 ( 7781 PWs) bands (ev): -8.7459 -8.7459 -8.6146 -8.6145 -8.3171 -8.3170 -8.1520 -8.1519 -3.9762 -3.9750 -3.9363 -3.9347 -3.5574 -3.5564 -3.5553 -3.5542 -2.5355 -2.5317 -2.4606 -2.4567 -2.0164 -2.0158 -2.0065 -2.0050 -1.6396 -1.6348 -1.6329 -1.6294 -0.4315 -0.4272 -0.4089 -0.4046 0.8365 0.8384 1.2834 1.2865 1.6325 1.6687 1.6909 1.8317 2.0694 2.1223 2.1318 2.2632 2.2971 2.3146 2.7467 2.7781 2.8088 2.8248 2.9807 3.0071 6.1387 6.1816 6.2001 6.2488 7.9432 7.9714 7.9747 8.0576 8.6528 8.6842 k = 0.1937 0.3061-0.0000 ( 7785 PWs) bands (ev): -8.7323 -8.7323 -8.6050 -8.6049 -8.3107 -8.3106 -8.1515 -8.1515 -3.9718 -3.9705 -3.9327 -3.9309 -3.5562 -3.5551 -3.5541 -3.5529 -2.5317 -2.5278 -2.4592 -2.4551 -2.0146 -2.0142 -2.0048 -2.0033 -1.6398 -1.6347 -1.6333 -1.6294 -0.4276 -0.4246 -0.4187 -0.4131 0.8247 0.8273 1.2579 1.2602 1.5994 1.6276 1.6560 1.8020 2.0196 2.0814 2.0820 2.2139 2.2680 2.2849 2.7302 2.7513 2.7868 2.8077 2.9805 3.0017 6.1330 6.1776 6.1918 6.2439 7.9311 7.9726 7.9744 8.0663 8.6433 8.6788 k = 0.2011 0.3179-0.0000 ( 7773 PWs) bands (ev): -8.7186 -8.7186 -8.5956 -8.5955 -8.3044 -8.3043 -8.1513 -8.1513 -3.9673 -3.9659 -3.9289 -3.9271 -3.5550 -3.5539 -3.5530 -3.5517 -2.5280 -2.5239 -2.4578 -2.4535 -2.0128 -2.0124 -2.0030 -2.0016 -1.6401 -1.6348 -1.6337 -1.6296 -0.4322 -0.4297 -0.4202 -0.4140 0.8127 0.8159 1.2318 1.2325 1.5640 1.5931 1.6219 1.7738 1.9710 2.0320 2.0396 2.1648 2.2437 2.2599 2.7084 2.7224 2.7688 2.7920 2.9833 2.9993 6.1161 6.1638 6.1917 6.2461 7.9193 7.9703 7.9775 8.0755 8.6328 8.6722 k = 0.2086 0.3296-0.0000 ( 7777 PWs) bands (ev): -8.7049 -8.7049 -8.5863 -8.5861 -8.2983 -8.2981 -8.1513 -8.1512 -3.9626 -3.9612 -3.9251 -3.9232 -3.5539 -3.5527 -3.5519 -3.5505 -2.5242 -2.5199 -2.4565 -2.4520 -2.0108 -2.0105 -2.0012 -1.9998 -1.6405 -1.6349 -1.6343 -1.6299 -0.4413 -0.4384 -0.4174 -0.4116 0.8007 0.8044 1.2032 1.2052 1.5251 1.5666 1.5886 1.7466 1.9244 1.9824 1.9975 2.1164 2.2239 2.2396 2.6817 2.6917 2.7541 2.7776 2.9887 3.0000 6.0941 6.1450 6.1940 6.2503 7.9079 7.9679 7.9808 8.0851 8.6225 8.6655 k = 0.2160 0.3414-0.0000 ( 7785 PWs) bands (ev): -8.6913 -8.6913 -8.5771 -8.5770 -8.2922 -8.2921 -8.1514 -8.1514 -3.9579 -3.9563 -3.9213 -3.9193 -3.5529 -3.5516 -3.5508 -3.5494 -2.5204 -2.5160 -2.4553 -2.4506 -2.0088 -2.0086 -1.9993 -1.9980 -1.6409 -1.6351 -1.6351 -1.6304 -0.4503 -0.4471 -0.4151 -0.4094 0.7888 0.7928 1.1724 1.1781 1.4849 1.5458 1.5557 1.7201 1.8804 1.9340 1.9553 2.0694 2.2089 2.2240 2.6517 2.6596 2.7414 2.7641 2.9962 3.0034 6.0700 6.1242 6.1957 6.2539 7.8974 7.9658 7.9845 8.0952 8.6132 8.6594 k = 0.2234 0.3532-0.0000 ( 7785 PWs) bands (ev): -8.6778 -8.6778 -8.5681 -8.5680 -8.2864 -8.2862 -8.1519 -8.1518 -3.9530 -3.9514 -3.9175 -3.9154 -3.5519 -3.5505 -3.5499 -3.5484 -2.5166 -2.5121 -2.4542 -2.4493 -2.0067 -2.0066 -1.9974 -1.9961 -1.6414 -1.6359 -1.6354 -1.6309 -0.4588 -0.4554 -0.4137 -0.4080 0.7771 0.7811 1.1404 1.1504 1.4453 1.5233 1.5290 1.6938 1.8397 1.8875 1.9135 2.0240 2.1985 2.2132 2.6197 2.6265 2.7294 2.7511 3.0054 3.0091 6.0451 6.1024 6.1957 6.2560 7.8880 7.9643 7.9884 8.1059 8.6055 8.6545 k = 0.2309 0.3650-0.0000 ( 7793 PWs) bands (ev): -8.6644 -8.6644 -8.5593 -8.5592 -8.2807 -8.2805 -8.1525 -8.1525 -3.9481 -3.9465 -3.9136 -3.9115 -3.5509 -3.5495 -3.5490 -3.5474 -2.5129 -2.5082 -2.4532 -2.4481 -2.0046 -2.0045 -1.9954 -1.9941 -1.6419 -1.6367 -1.6358 -1.6316 -0.4668 -0.4630 -0.4132 -0.4075 0.7658 0.7696 1.1071 1.1221 1.4068 1.4911 1.5152 1.6671 1.8024 1.8441 1.8724 1.9806 2.1927 2.2069 2.5865 2.5929 2.7176 2.7386 3.0161 3.0170 6.0198 6.0800 6.1938 6.2560 7.8801 7.9638 7.9929 8.1171 8.5998 8.6510 k = 0.2383 0.3767-0.0000 ( 7785 PWs) bands (ev): -8.6512 -8.6512 -8.5508 -8.5506 -8.2752 -8.2750 -8.1533 -8.1533 -3.9431 -3.9414 -3.9098 -3.9076 -3.5501 -3.5486 -3.5482 -3.5466 -2.5092 -2.5044 -2.4524 -2.4470 -2.0024 -2.0023 -1.9933 -1.9922 -1.6424 -1.6377 -1.6362 -1.6323 -0.4742 -0.4700 -0.4138 -0.4079 0.7550 0.7580 1.0730 1.0932 1.3701 1.4593 1.5038 1.6394 1.7680 1.8055 1.8324 1.9395 2.1913 2.2053 2.5528 2.5592 2.7058 2.7262 3.0264 3.0278 5.9942 6.0573 6.1899 6.2540 7.8739 7.9644 7.9978 8.1288 8.5965 8.6494 k = 0.2458 0.3885-0.0000 ( 7787 PWs) bands (ev): -8.6382 -8.6382 -8.5425 -8.5423 -8.2699 -8.2698 -8.1544 -8.1544 -3.9381 -3.9364 -3.9059 -3.9037 -3.5493 -3.5478 -3.5475 -3.5458 -2.5056 -2.5006 -2.4517 -2.4461 -2.0002 -2.0001 -1.9913 -1.9902 -1.6429 -1.6386 -1.6366 -1.6331 -0.4811 -0.4765 -0.4153 -0.4092 0.7447 0.7465 1.0383 1.0639 1.3354 1.4278 1.4944 1.6102 1.7353 1.7736 1.7939 1.9008 2.1943 2.2081 2.5192 2.5258 2.6938 2.7139 3.0372 3.0403 5.9685 6.0343 6.1839 6.2499 7.8698 7.9665 8.0033 8.1410 8.5958 8.6497 k = 0.2532 0.4003-0.0000 ( 7777 PWs) bands (ev): -8.6254 -8.6254 -8.5345 -8.5344 -8.2649 -8.2647 -8.1557 -8.1557 -3.9330 -3.9312 -3.9021 -3.8998 -3.5486 -3.5470 -3.5469 -3.5451 -2.5021 -2.4969 -2.4511 -2.4453 -1.9980 -1.9978 -1.9892 -1.9882 -1.6433 -1.6395 -1.6371 -1.6340 -0.4876 -0.4824 -0.4178 -0.4114 0.7350 0.7350 1.0032 1.0343 1.3032 1.3969 1.4861 1.5797 1.7034 1.7496 1.7572 1.8648 2.2011 2.2151 2.4863 2.4932 2.6816 2.7016 3.0489 3.0534 5.9427 6.0111 6.1760 6.2437 7.8679 7.9703 8.0094 8.1538 8.5976 8.6521 k = 0.2607 0.4120-0.0000 ( 7777 PWs) bands (ev): -8.6129 -8.6129 -8.5268 -8.5267 -8.2601 -8.2599 -8.1573 -8.1573 -3.9280 -3.9261 -3.8984 -3.8960 -3.5480 -3.5464 -3.5463 -3.5445 -2.4987 -2.4933 -2.4507 -2.4447 -1.9957 -1.9954 -1.9871 -1.9861 -1.6437 -1.6404 -1.6376 -1.6348 -0.4937 -0.4879 -0.4213 -0.4144 0.7234 0.7259 0.9681 1.0043 1.2739 1.3669 1.4785 1.5481 1.6729 1.7227 1.7325 1.8315 2.2114 2.2259 2.4547 2.4619 2.6693 2.6893 3.0611 3.0668 5.9170 5.9877 6.1663 6.2356 7.8686 7.9761 8.0162 8.1671 8.6022 8.6566 k = 0.2681 0.4238-0.0000 ( 7781 PWs) bands (ev): -8.6007 -8.6007 -8.5194 -8.5193 -8.2555 -8.2554 -8.1591 -8.1590 -3.9229 -3.9210 -3.8946 -3.8922 -3.5475 -3.5458 -3.5458 -3.5440 -2.4953 -2.4899 -2.4505 -2.4442 -1.9935 -1.9930 -1.9849 -1.9841 -1.6440 -1.6413 -1.6381 -1.6357 -0.4996 -0.4930 -0.4257 -0.4183 0.7115 0.7174 0.9331 0.9743 1.2478 1.3381 1.4708 1.5161 1.6448 1.6907 1.7208 1.8012 2.2241 2.2400 2.4255 2.4327 2.6570 2.6770 3.0737 3.0802 5.8912 5.9641 6.1547 6.2256 7.8720 7.9843 8.0238 8.1810 8.6095 8.6634 k = 0.2756 0.4356-0.0000 ( 7777 PWs) bands (ev): -8.5889 -8.5889 -8.5124 -8.5123 -8.2513 -8.2511 -8.1610 -8.1610 -3.9178 -3.9159 -3.8910 -3.8885 -3.5470 -3.5454 -3.5453 -3.5436 -2.4922 -2.4865 -2.4504 -2.4439 -1.9911 -1.9906 -1.9828 -1.9821 -1.6443 -1.6420 -1.6387 -1.6365 -0.5053 -0.4978 -0.4310 -0.4229 0.6993 0.7093 0.8986 0.9444 1.2254 1.3109 1.4623 1.4844 1.6193 1.6617 1.7131 1.7740 2.2377 2.2563 2.4005 2.4069 2.6448 2.6647 3.0863 3.0933 5.8653 5.9402 6.1415 6.2138 7.8783 7.9948 8.0322 8.1955 8.6195 8.6723 k = 0.2830 0.4474-0.0000 ( 7769 PWs) bands (ev): -8.5774 -8.5774 -8.5058 -8.5057 -8.2473 -8.2472 -8.1632 -8.1632 -3.9128 -3.9108 -3.8874 -3.8848 -3.5467 -3.5450 -3.5449 -3.5433 -2.4891 -2.4834 -2.4505 -2.4438 -1.9888 -1.9882 -1.9807 -1.9800 -1.6445 -1.6427 -1.6392 -1.6373 -0.5109 -0.5024 -0.4370 -0.4283 0.6867 0.7017 0.8646 0.9146 1.2068 1.2855 1.4526 1.4538 1.5965 1.6356 1.7085 1.7501 2.2492 2.2725 2.3826 2.3868 2.6329 2.6524 3.0986 3.1061 5.8395 5.9162 6.1267 6.2003 7.8879 8.0081 8.0414 8.2105 8.6322 8.6834 k = 0.2905 0.4591-0.0000 ( 7765 PWs) bands (ev): -8.5663 -8.5663 -8.4995 -8.4994 -8.2436 -8.2434 -8.1656 -8.1656 -3.9078 -3.9057 -3.8839 -3.8813 -3.5464 -3.5448 -3.5447 -3.5430 -2.4863 -2.4804 -2.4507 -2.4438 -1.9865 -1.9858 -1.9786 -1.9780 -1.6446 -1.6433 -1.6397 -1.6380 -0.5166 -0.5069 -0.4439 -0.4343 0.6735 0.6942 0.8316 0.8854 1.1923 1.2624 1.4249 1.4413 1.5765 1.6125 1.7062 1.7296 2.2542 2.2838 2.3764 2.3775 2.6215 2.6403 3.1104 3.1182 5.8137 5.8919 6.1105 6.1852 7.9007 8.0241 8.0516 8.2260 8.6475 8.6967 k = 0.2979 0.4709-0.0000 ( 7769 PWs) bands (ev): -8.5556 -8.5556 -8.4935 -8.4934 -8.2401 -8.2400 -8.1681 -8.1681 -3.9029 -3.9008 -3.8805 -3.8779 -3.5463 -3.5446 -3.5444 -3.5429 -2.4836 -2.4776 -2.4511 -2.4440 -1.9841 -1.9834 -1.9766 -1.9760 -1.6448 -1.6436 -1.6403 -1.6387 -0.5223 -0.5115 -0.4514 -0.4409 0.6597 0.6867 0.7997 0.8569 1.1819 1.2415 1.3982 1.4286 1.5590 1.5919 1.7054 1.7125 2.2504 2.2847 2.3838 2.3846 2.6112 2.6285 3.1214 3.1294 5.7879 5.8673 6.0928 6.1686 7.9168 8.0431 8.0627 8.2420 8.6654 8.7119 k = 0.3054 0.4827-0.0000 ( 7773 PWs) bands (ev): -8.5453 -8.5453 -8.4880 -8.4879 -8.2369 -8.2368 -8.1709 -8.1709 -3.8980 -3.8959 -3.8772 -3.8745 -3.5461 -3.5445 -3.5443 -3.5428 -2.4812 -2.4750 -2.4516 -2.4444 -1.9818 -1.9811 -1.9745 -1.9740 -1.6451 -1.6438 -1.6408 -1.6393 -0.5282 -0.5162 -0.4595 -0.4481 0.6452 0.6788 0.7690 0.8292 1.1757 1.2231 1.3741 1.4150 1.5442 1.5734 1.6986 1.7055 2.2411 2.2778 2.4016 2.4056 2.6026 2.6171 3.1314 3.1396 5.7620 5.8425 6.0739 6.1505 7.9363 8.0650 8.0748 8.2583 8.6858 8.7288 k = 0.3128 0.4945-0.0000 ( 7785 PWs) bands (ev): -8.5355 -8.5355 -8.4828 -8.4827 -8.2340 -8.2339 -8.1737 -8.1737 -3.8933 -3.8911 -3.8740 -3.8713 -3.5461 -3.5444 -3.5443 -3.5428 -2.4789 -2.4726 -2.4522 -2.4449 -1.9795 -1.9787 -1.9725 -1.9720 -1.6454 -1.6438 -1.6414 -1.6398 -0.5344 -0.5210 -0.4681 -0.4557 0.6300 0.6702 0.7398 0.8028 1.1733 1.2072 1.3529 1.4013 1.5321 1.5562 1.6876 1.7056 2.2309 2.2692 2.4242 2.4342 2.5969 2.6067 3.1402 3.1485 5.7362 5.8174 6.0538 6.1312 7.9592 8.0879 8.0899 8.2750 8.7084 8.7474 k = 0.3203 0.5062-0.0000 ( 7791 PWs) bands (ev): -8.5261 -8.5260 -8.4780 -8.4779 -8.2314 -8.2313 -8.1767 -8.1767 -3.8886 -3.8864 -3.8709 -3.8682 -3.5462 -3.5444 -3.5443 -3.5428 -2.4770 -2.4705 -2.4529 -2.4455 -1.9772 -1.9764 -1.9705 -1.9701 -1.6456 -1.6437 -1.6420 -1.6402 -0.5408 -0.5261 -0.4771 -0.4637 0.6142 0.6606 0.7124 0.7778 1.1743 1.1939 1.3348 1.3884 1.5227 1.5400 1.6789 1.7053 2.2228 2.2627 2.4469 2.4660 2.5962 2.5979 3.1477 3.1561 5.7104 5.7921 6.0327 6.1106 7.9851 8.1023 8.1176 8.2919 8.7331 8.7670 k = 0.3277 0.5180-0.0000 ( 7783 PWs) bands (ev): -8.5171 -8.5171 -8.4735 -8.4734 -8.2291 -8.2289 -8.1799 -8.1799 -3.8841 -3.8818 -3.8679 -3.8652 -3.5462 -3.5445 -3.5445 -3.5430 -2.4752 -2.4687 -2.4537 -2.4461 -1.9748 -1.9741 -1.9686 -1.9682 -1.6458 -1.6436 -1.6426 -1.6407 -0.5475 -0.5316 -0.4865 -0.4721 0.5977 0.6494 0.6868 0.7545 1.1782 1.1830 1.3201 1.3775 1.5161 1.5246 1.6720 1.7042 2.2185 2.2597 2.4653 2.4975 2.5930 2.6034 3.1536 3.1621 5.6846 5.7666 6.0106 6.0889 8.0137 8.1181 8.1480 8.3090 8.7596 8.7875 k = 0.3352 0.5298-0.0000 ( 7779 PWs) bands (ev): -8.5086 -8.5086 -8.4694 -8.4694 -8.2269 -8.2268 -8.1831 -8.1830 -3.8797 -3.8774 -3.8651 -3.8623 -3.5464 -3.5446 -3.5446 -3.5432 -2.4738 -2.4672 -2.4546 -2.4469 -1.9726 -1.9718 -1.9667 -1.9663 -1.6460 -1.6434 -1.6431 -1.6411 -0.5545 -0.5374 -0.4961 -0.4807 0.5805 0.6364 0.6632 0.7332 1.1746 1.1840 1.3085 1.3695 1.5096 1.5124 1.6666 1.7019 2.2187 2.2610 2.4764 2.5221 2.5976 2.6208 3.1579 3.1665 5.6589 5.7408 5.9876 6.0661 8.0444 8.1358 8.1807 8.3262 8.7875 8.8080 k = 0.3426 0.5415-0.0000 ( 7775 PWs) bands (ev): -8.5005 -8.5005 -8.4657 -8.4656 -8.2251 -8.2249 -8.1863 -8.1863 -3.8755 -3.8732 -3.8623 -3.8596 -3.5466 -3.5449 -3.5448 -3.5434 -2.4727 -2.4660 -2.4554 -2.4477 -1.9703 -1.9696 -1.9649 -1.9645 -1.6461 -1.6437 -1.6433 -1.6415 -0.5618 -0.5436 -0.5058 -0.4896 0.5628 0.6215 0.6418 0.7137 1.1684 1.1906 1.3000 1.3655 1.4951 1.5117 1.6625 1.6987 2.2238 2.2668 2.4804 2.5318 2.6191 2.6477 3.1604 3.1692 5.6332 5.7149 5.9638 6.0425 8.0760 8.1562 8.2152 8.3434 8.8163 8.8280 k = 0.3501 0.5533-0.0000 ( 7779 PWs) bands (ev): -8.4929 -8.4929 -8.4623 -8.4622 -8.2234 -8.2233 -8.1897 -8.1896 -3.8714 -3.8691 -3.8597 -3.8570 -3.5468 -3.5452 -3.5450 -3.5437 -2.4719 -2.4652 -2.4562 -2.4485 -1.9681 -1.9675 -1.9631 -1.9627 -1.6462 -1.6442 -1.6431 -1.6419 -0.5693 -0.5502 -0.5157 -0.4986 0.5445 0.6048 0.6224 0.6958 1.1644 1.1970 1.2942 1.3663 1.4812 1.5141 1.6598 1.6949 2.2334 2.2768 2.4799 2.5305 2.6535 2.6812 3.1611 3.1701 5.6078 5.6889 5.9394 6.0179 8.1068 8.1802 8.2507 8.3605 8.8455 8.8466 k = 0.3501 0.5533-0.0000 ( 7779 PWs) bands (ev): -8.4929 -8.4929 -8.4623 -8.4622 -8.2234 -8.2233 -8.1897 -8.1896 -3.8714 -3.8691 -3.8597 -3.8570 -3.5468 -3.5452 -3.5450 -3.5437 -2.4719 -2.4652 -2.4562 -2.4485 -1.9681 -1.9675 -1.9631 -1.9627 -1.6462 -1.6442 -1.6431 -1.6419 -0.5693 -0.5502 -0.5157 -0.4986 0.5445 0.6048 0.6224 0.6958 1.1644 1.1970 1.2942 1.3663 1.4812 1.5141 1.6598 1.6949 2.2334 2.2768 2.4799 2.5305 2.6535 2.6812 3.1611 3.1701 5.6078 5.6889 5.9394 6.0179 8.1068 8.1802 8.2507 8.3605 8.8455 8.8466 k = 0.3366 0.5533-0.0000 ( 7773 PWs) bands (ev): -8.4972 -8.4972 -8.4641 -8.4640 -8.2245 -8.2244 -8.1878 -8.1878 -3.8737 -3.8714 -3.8612 -3.8584 -3.5467 -3.5450 -3.5448 -3.5435 -2.4725 -2.4656 -2.4558 -2.4480 -1.9692 -1.9686 -1.9640 -1.9636 -1.6460 -1.6439 -1.6431 -1.6416 -0.5652 -0.5465 -0.5106 -0.4939 0.5535 0.6121 0.6335 0.7058 1.1562 1.1976 1.2926 1.3683 1.4858 1.5219 1.6627 1.7019 2.2286 2.2713 2.4809 2.5333 2.6352 2.6637 3.1605 3.1700 5.6216 5.7028 5.9519 6.0303 8.0878 8.1623 8.2356 8.3538 8.8269 8.8417 k = 0.3231 0.5533-0.0000 ( 7776 PWs) bands (ev): -8.5022 -8.5022 -8.4661 -8.4660 -8.2260 -8.2259 -8.1857 -8.1857 -3.8765 -3.8740 -3.8629 -3.8600 -3.5464 -3.5448 -3.5445 -3.5433 -2.4736 -2.4665 -2.4556 -2.4476 -1.9704 -1.9697 -1.9649 -1.9645 -1.6457 -1.6435 -1.6427 -1.6411 -0.5606 -0.5422 -0.5056 -0.4892 0.5613 0.6174 0.6460 0.7183 1.1346 1.2013 1.2821 1.3762 1.4895 1.5475 1.6691 1.7181 2.2265 2.2673 2.4817 2.5365 2.6205 2.6486 3.1587 3.1694 5.6366 5.7174 5.9636 6.0411 8.0620 8.1357 8.2276 8.3502 8.8097 8.8376 k = 0.3097 0.5533-0.0000 ( 7776 PWs) bands (ev): -8.5078 -8.5078 -8.4685 -8.4684 -8.2279 -8.2278 -8.1836 -8.1836 -3.8796 -3.8770 -3.8649 -3.8619 -3.5461 -3.5446 -3.5442 -3.5429 -2.4751 -2.4678 -2.4554 -2.4472 -1.9715 -1.9709 -1.9658 -1.9653 -1.6452 -1.6430 -1.6420 -1.6404 -0.5555 -0.5373 -0.5007 -0.4846 0.5677 0.6218 0.6580 0.7329 1.1078 1.2031 1.2640 1.3846 1.4991 1.5856 1.6793 1.7413 2.2277 2.2648 2.4819 2.5380 2.6117 2.6370 3.1557 3.1683 5.6526 5.7326 5.9737 6.0499 8.0305 8.1028 8.2241 8.3480 8.7942 8.8339 k = 0.2962 0.5533-0.0000 ( 7782 PWs) bands (ev): -8.5140 -8.5139 -8.4711 -8.4711 -8.2301 -8.2300 -8.1815 -8.1814 -3.8830 -3.8803 -3.8672 -3.8641 -3.5458 -3.5443 -3.5437 -3.5426 -2.4769 -2.4696 -2.4552 -2.4471 -1.9726 -1.9720 -1.9667 -1.9662 -1.6444 -1.6424 -1.6409 -1.6395 -0.5499 -0.5319 -0.4961 -0.4803 0.5730 0.6251 0.6691 0.7491 1.0795 1.2015 1.2434 1.3870 1.5202 1.6319 1.6935 1.7692 2.2326 2.2640 2.4811 2.5354 2.6108 2.6301 3.1518 3.1666 5.6695 5.7483 5.9817 6.0560 7.9949 8.0661 8.2224 8.3452 8.7805 8.8305 k = 0.2827 0.5533-0.0000 ( 7788 PWs) bands (ev): -8.5205 -8.5205 -8.4741 -8.4740 -8.2324 -8.2323 -8.1794 -8.1793 -3.8867 -3.8839 -3.8697 -3.8666 -3.5453 -3.5439 -3.5433 -3.5421 -2.4790 -2.4719 -2.4553 -2.4473 -1.9737 -1.9731 -1.9675 -1.9669 -1.6433 -1.6416 -1.6397 -1.6384 -0.5437 -0.5260 -0.4916 -0.4762 0.5773 0.6271 0.6792 0.7654 1.0515 1.1930 1.2275 1.3820 1.5525 1.6833 1.7116 1.8000 2.2417 2.2652 2.4791 2.5286 2.6174 2.6290 3.1469 3.1642 5.6871 5.7644 5.9871 6.0589 7.9563 8.0270 8.2205 8.3403 8.7682 8.8269 k = 0.2693 0.5533-0.0000 ( 7790 PWs) bands (ev): -8.5273 -8.5273 -8.4774 -8.4773 -8.2348 -8.2347 -8.1774 -8.1773 -3.8905 -3.8877 -3.8724 -3.8694 -3.5448 -3.5435 -3.5427 -3.5416 -2.4815 -2.4745 -2.4555 -2.4478 -1.9746 -1.9740 -1.9682 -1.9677 -1.6420 -1.6405 -1.6382 -1.6372 -0.5369 -0.5197 -0.4873 -0.4726 0.5810 0.6275 0.6881 0.7808 1.0254 1.1749 1.2214 1.3722 1.5923 1.7331 1.7381 1.8323 2.2555 2.2685 2.4764 2.5199 2.6272 2.6358 3.1414 3.1612 5.7050 5.7806 5.9893 6.0582 7.9157 7.9864 8.2169 8.3320 8.7570 8.8228 k = 0.2558 0.5533-0.0000 ( 7788 PWs) bands (ev): -8.5343 -8.5343 -8.4809 -8.4808 -8.2373 -8.2372 -8.1755 -8.1754 -3.8944 -3.8916 -3.8754 -3.8724 -3.5442 -3.5430 -3.5421 -3.5411 -2.4842 -2.4775 -2.4561 -2.4487 -1.9755 -1.9749 -1.9689 -1.9683 -1.6404 -1.6392 -1.6366 -1.6358 -0.5297 -0.5133 -0.4830 -0.4693 0.5841 0.6261 0.6954 0.7937 1.0025 1.1533 1.2209 1.3601 1.6367 1.7581 1.7944 1.8649 2.2737 2.2752 2.4736 2.5110 2.6380 2.6507 3.1351 3.1576 5.7230 5.7966 5.9880 6.0536 7.8736 7.9448 8.2104 8.3191 8.7460 8.8179 k = 0.2424 0.5533-0.0000 ( 7800 PWs) bands (ev): -8.5415 -8.5414 -8.4846 -8.4845 -8.2399 -8.2398 -8.1737 -8.1736 -3.8985 -3.8957 -3.8785 -3.8756 -3.5436 -3.5424 -3.5415 -3.5405 -2.4871 -2.4808 -2.4569 -2.4499 -1.9762 -1.9757 -1.9695 -1.9688 -1.6386 -1.6377 -1.6347 -1.6342 -0.5221 -0.5069 -0.4786 -0.4665 0.5866 0.6230 0.7005 0.8028 0.9841 1.1324 1.2228 1.3471 1.6839 1.7857 1.8512 1.8970 2.2835 2.2982 2.4720 2.5033 2.6521 2.6694 3.1284 3.1536 5.7407 5.8120 5.9830 6.0450 7.8306 7.9023 8.1995 8.3005 8.7345 8.8120 k = 0.2289 0.5533-0.0000 ( 7804 PWs) bands (ev): -8.5486 -8.5486 -8.4885 -8.4884 -8.2424 -8.2423 -8.1720 -8.1719 -3.9026 -3.8999 -3.8818 -3.8790 -3.5429 -3.5419 -3.5408 -3.5398 -2.4902 -2.4843 -2.4580 -2.4514 -1.9768 -1.9763 -1.9700 -1.9693 -1.6366 -1.6359 -1.6328 -1.6325 -0.5141 -0.5009 -0.4738 -0.4641 0.5884 0.6183 0.7027 0.8069 0.9716 1.1141 1.2260 1.3338 1.7325 1.8155 1.9071 1.9282 2.2961 2.3264 2.4728 2.4976 2.6700 2.6901 3.1212 3.1492 5.7577 5.8263 5.9745 6.0324 7.7870 7.8592 8.1829 8.2751 8.7218 8.8054 k = 0.2154 0.5533-0.0000 ( 7802 PWs) bands (ev): -8.5558 -8.5557 -8.4925 -8.4924 -8.2449 -8.2448 -8.1705 -8.1704 -3.9066 -3.9041 -3.8852 -3.8825 -3.5422 -3.5413 -3.5400 -3.5392 -2.4936 -2.4880 -2.4594 -2.4532 -1.9774 -1.9768 -1.9704 -1.9697 -1.6346 -1.6338 -1.6309 -1.6305 -0.5060 -0.4956 -0.4684 -0.4620 0.5892 0.6127 0.7014 0.8052 0.9656 1.0995 1.2302 1.3208 1.7817 1.8467 1.9548 1.9643 2.3126 2.3575 2.4774 2.4947 2.6913 2.7121 3.1138 3.1448 5.7734 5.8386 5.9628 6.0163 7.7432 7.8155 8.1589 8.2423 8.7078 8.7983 k = 0.2020 0.5533-0.0000 ( 7800 PWs) bands (ev): -8.5628 -8.5628 -8.4966 -8.4965 -8.2474 -8.2473 -8.1691 -8.1690 -3.9107 -3.9083 -3.8886 -3.8861 -3.5415 -3.5406 -3.5393 -3.5385 -2.4970 -2.4918 -2.4611 -2.4553 -1.9778 -1.9772 -1.9707 -1.9700 -1.6325 -1.6315 -1.6290 -1.6283 -0.4978 -0.4912 -0.4624 -0.4602 0.5882 0.6068 0.6962 0.7983 0.9655 1.0889 1.2350 1.3083 1.8305 1.8787 1.9844 2.0145 2.3332 2.3891 2.4869 2.4963 2.7157 2.7350 3.1064 3.1404 5.7871 5.8479 5.9488 5.9978 7.6993 7.7712 8.1262 8.2015 8.6927 8.7912 k = 0.1885 0.5533-0.0000 ( 7784 PWs) bands (ev): -8.5697 -8.5696 -8.5007 -8.5006 -8.2498 -8.2497 -8.1678 -8.1677 -3.9147 -3.9124 -3.8921 -3.8897 -3.5408 -3.5400 -3.5385 -3.5378 -2.5006 -2.4958 -2.4629 -2.4576 -1.9781 -1.9774 -1.9710 -1.9701 -1.6304 -1.6291 -1.6271 -1.6260 -0.4899 -0.4877 -0.4586 -0.4557 0.5847 0.6022 0.6874 0.7877 0.9697 1.0825 1.2403 1.2966 1.8781 1.9102 2.0123 2.0624 2.3579 2.4178 2.4957 2.5110 2.7424 2.7587 3.0991 3.1365 5.7973 5.8522 5.9342 5.9787 7.6555 7.7264 8.0840 8.1527 8.6773 8.7843 k = 0.1750 0.5533-0.0000 ( 7778 PWs) bands (ev): -8.5764 -8.5763 -8.5047 -8.5047 -8.2521 -8.2520 -8.1666 -8.1665 -3.9186 -3.9164 -3.8956 -3.8934 -3.5401 -3.5394 -3.5378 -3.5371 -2.5042 -2.4997 -2.4650 -2.4601 -1.9783 -1.9776 -1.9711 -1.9702 -1.6283 -1.6265 -1.6251 -1.6236 -0.4853 -0.4819 -0.4570 -0.4487 0.5782 0.5992 0.6755 0.7746 0.9765 1.0799 1.2458 1.2857 1.9229 1.9404 2.0408 2.1063 2.3858 2.4422 2.5041 2.5395 2.7699 2.7840 3.0920 3.1334 5.8019 5.8492 5.9207 5.9622 7.6119 7.6813 8.0322 8.0965 8.6624 8.7769 k = 0.1616 0.5533-0.0000 ( 7772 PWs) bands (ev): -8.5828 -8.5827 -8.5087 -8.5086 -8.2543 -8.2542 -8.1655 -8.1654 -3.9223 -3.9203 -3.8990 -3.8969 -3.5394 -3.5388 -3.5370 -3.5363 -2.5077 -2.5037 -2.4671 -2.4626 -1.9784 -1.9777 -1.9711 -1.9702 -1.6262 -1.6240 -1.6232 -1.6212 -0.4831 -0.4752 -0.4549 -0.4416 0.5701 0.5972 0.6614 0.7598 0.9846 1.0803 1.2514 1.2758 1.9617 1.9702 2.0712 2.1460 2.4158 2.4645 2.5162 2.5749 2.7948 2.8136 3.0854 3.1315 5.7977 5.8379 5.9096 5.9522 7.5688 7.6359 7.9722 8.0335 8.6485 8.7680 k = 0.1481 0.5533-0.0000 ( 7776 PWs) bands (ev): -8.5889 -8.5888 -8.5125 -8.5125 -8.2564 -8.2563 -8.1645 -8.1645 -3.9259 -3.9240 -3.9022 -3.9004 -3.5388 -3.5382 -3.5363 -3.5356 -2.5113 -2.5076 -2.4693 -2.4652 -1.9785 -1.9778 -1.9710 -1.9701 -1.6241 -1.6217 -1.6210 -1.6188 -0.4814 -0.4701 -0.4516 -0.4347 0.5614 0.5953 0.6461 0.7440 0.9934 1.0827 1.2567 1.2674 1.9881 2.0045 2.1041 2.1820 2.4462 2.4877 2.5323 2.6127 2.8159 2.8474 3.0795 3.1315 5.7833 5.8190 5.9030 5.9487 7.5262 7.5907 7.9057 7.9652 8.6358 8.7556 k = 0.1346 0.5533-0.0000 ( 7784 PWs) bands (ev): -8.5946 -8.5946 -8.5162 -8.5162 -8.2583 -8.2583 -8.1637 -8.1636 -3.9292 -3.9275 -3.9054 -3.9037 -3.5382 -3.5377 -3.5355 -3.5349 -2.5147 -2.5114 -2.4715 -2.4679 -1.9785 -1.9778 -1.9709 -1.9700 -1.6221 -1.6198 -1.6186 -1.6165 -0.4800 -0.4671 -0.4468 -0.4282 0.5528 0.5934 0.6305 0.7277 1.0022 1.0863 1.2590 1.2631 2.0085 2.0361 2.1388 2.2149 2.4755 2.5127 2.5530 2.6501 2.8343 2.8836 3.0741 3.1336 5.7611 5.7940 5.9016 5.9487 7.4845 7.5461 7.8352 7.8931 8.6242 8.7385 k = 0.1212 0.5533-0.0000 ( 7786 PWs) bands (ev): -8.5999 -8.5999 -8.5197 -8.5196 -8.2601 -8.2601 -8.1629 -8.1629 -3.9323 -3.9308 -3.9083 -3.9068 -3.5377 -3.5372 -3.5349 -3.5343 -2.5179 -2.5150 -2.4737 -2.4704 -1.9784 -1.9778 -1.9707 -1.9698 -1.6201 -1.6181 -1.6161 -1.6143 -0.4788 -0.4657 -0.4409 -0.4221 0.5446 0.5913 0.6151 0.7113 1.0108 1.0900 1.2544 1.2671 2.0258 2.0625 2.1741 2.2457 2.5037 2.5378 2.5784 2.6847 2.8504 2.9207 3.0695 3.1381 5.7351 5.7653 5.9032 5.9496 7.4442 7.5026 7.7629 7.8192 8.6135 8.7176 k = 0.1077 0.5533-0.0000 ( 7794 PWs) bands (ev): -8.6048 -8.6048 -8.5229 -8.5228 -8.2618 -8.2617 -8.1623 -8.1622 -3.9352 -3.9338 -3.9111 -3.9097 -3.5372 -3.5368 -3.5342 -3.5337 -2.5210 -2.5184 -2.4757 -2.4729 -1.9783 -1.9777 -1.9704 -1.9697 -1.6183 -1.6165 -1.6138 -1.6122 -0.4777 -0.4652 -0.4347 -0.4166 0.5371 0.5886 0.6011 0.6953 1.0190 1.0929 1.2511 1.2711 2.0408 2.0835 2.2091 2.2746 2.5316 2.5614 2.6073 2.7150 2.8652 2.9574 3.0658 3.1448 5.7079 5.7354 5.9059 5.9503 7.4056 7.4612 7.6909 7.7453 8.6036 8.6949 k = 0.0942 0.5533-0.0000 ( 7804 PWs) bands (ev): -8.6092 -8.6092 -8.5258 -8.5257 -8.2633 -8.2632 -8.1617 -8.1616 -3.9377 -3.9365 -3.9136 -3.9124 -3.5368 -3.5364 -3.5336 -3.5331 -2.5238 -2.5216 -2.4777 -2.4752 -1.9782 -1.9776 -1.9702 -1.9694 -1.6166 -1.6150 -1.6117 -1.6102 -0.4767 -0.4653 -0.4286 -0.4118 0.5306 0.5818 0.5923 0.6798 1.0268 1.0946 1.2498 1.2744 2.0541 2.0993 2.2427 2.3016 2.5590 2.5832 2.6371 2.7395 2.8801 2.9920 3.0633 3.1529 5.6813 5.7061 5.9088 5.9503 7.3697 7.4227 7.6212 7.6735 8.5947 8.6726 k = 0.0808 0.5533-0.0000 ( 7789 PWs) bands (ev): -8.6130 -8.6130 -8.5284 -8.5283 -8.2646 -8.2645 -8.1612 -8.1612 -3.9400 -3.9389 -3.9158 -3.9148 -3.5364 -3.5360 -3.5331 -3.5326 -2.5263 -2.5244 -2.4794 -2.4773 -1.9781 -1.9776 -1.9699 -1.9692 -1.6151 -1.6137 -1.6097 -1.6085 -0.4758 -0.4657 -0.4228 -0.4078 0.5253 0.5703 0.5899 0.6653 1.0340 1.0948 1.2504 1.2769 2.0662 2.1106 2.2743 2.3262 2.5851 2.6040 2.6655 2.7569 2.8966 3.0216 3.0639 3.1614 5.6566 5.6785 5.9115 5.9492 7.3372 7.3880 7.5555 7.6056 8.5869 8.6519 k = 0.0673 0.5533-0.0000 ( 7788 PWs) bands (ev): -8.6164 -8.6163 -8.5306 -8.5306 -8.2657 -8.2656 -8.1608 -8.1608 -3.9419 -3.9410 -3.9177 -3.9168 -3.5361 -3.5358 -3.5326 -3.5322 -2.5284 -2.5269 -2.4809 -2.4792 -1.9780 -1.9775 -1.9696 -1.9690 -1.6138 -1.6127 -1.6080 -1.6070 -0.4750 -0.4663 -0.4176 -0.4046 0.5211 0.5588 0.5894 0.6517 1.0409 1.0934 1.2527 1.2785 2.0773 2.1180 2.3033 2.3477 2.6082 2.6241 2.6910 2.7673 2.9153 3.0380 3.0748 3.1692 5.6348 5.6537 5.9140 5.9472 7.3092 7.3578 7.4956 7.5433 8.5805 8.6335 k = 0.0539 0.5533-0.0000 ( 7792 PWs) bands (ev): -8.6191 -8.6191 -8.5325 -8.5324 -8.2666 -8.2666 -8.1605 -8.1604 -3.9435 -3.9428 -3.9192 -3.9185 -3.5358 -3.5355 -3.5322 -3.5319 -2.5302 -2.5290 -2.4822 -2.4808 -1.9778 -1.9775 -1.9693 -1.9689 -1.6127 -1.6118 -1.6066 -1.6057 -0.4741 -0.4671 -0.4129 -0.4022 0.5182 0.5484 0.5899 0.6394 1.0475 1.0906 1.2560 1.2792 2.0873 2.1222 2.3291 2.3654 2.6272 2.6431 2.7127 2.7720 2.9355 3.0399 3.0962 3.1751 5.6166 5.6322 5.9165 5.9443 7.2868 7.3327 7.4433 7.4879 8.5759 8.6175 k = 0.0404 0.5533-0.0000 ( 7789 PWs) bands (ev): -8.6213 -8.6213 -8.5339 -8.5339 -8.2673 -8.2673 -8.1602 -8.1602 -3.9447 -3.9442 -3.9204 -3.9199 -3.5356 -3.5354 -3.5318 -3.5316 -2.5316 -2.5307 -2.4831 -2.4821 -1.9777 -1.9774 -1.9691 -1.9688 -1.6118 -1.6111 -1.6054 -1.6048 -0.4732 -0.4679 -0.4088 -0.4007 0.5168 0.5394 0.5915 0.6284 1.0538 1.0868 1.2601 1.2788 2.0963 2.1238 2.3510 2.3789 2.6427 2.6589 2.7303 2.7730 2.9561 3.0363 3.1183 3.1781 5.6025 5.6146 5.9191 5.9408 7.2710 7.3124 7.4009 7.4409 8.5732 8.6041 k = 0.0269 0.5533-0.0000 ( 7785 PWs) bands (ev): -8.6228 -8.6228 -8.5350 -8.5350 -8.2678 -8.2678 -8.1600 -8.1600 -3.9455 -3.9452 -3.9213 -3.9209 -3.5354 -3.5353 -3.5316 -3.5314 -2.5325 -2.5319 -2.4838 -2.4831 -1.9776 -1.9774 -1.9689 -1.9687 -1.6111 -1.6106 -1.6045 -1.6041 -0.4723 -0.4688 -0.4055 -0.4000 0.5168 0.5319 0.5944 0.6188 1.0599 1.0822 1.2644 1.2775 2.1042 2.1232 2.3685 2.3875 2.6553 2.6693 2.7442 2.7715 2.9756 3.0298 3.1377 3.1778 5.5929 5.6012 5.9220 5.9369 7.2626 7.2956 7.3714 7.4031 8.5727 8.5931 k = 0.0135 0.5533-0.0000 ( 7786 PWs) bands (ev): -8.6238 -8.6237 -8.5356 -8.5356 -8.2681 -8.2681 -8.1599 -8.1599 -3.9460 -3.9458 -3.9218 -3.9216 -3.5353 -3.5352 -3.5314 -3.5314 -2.5331 -2.5328 -2.4841 -2.4838 -1.9775 -1.9774 -1.9688 -1.9686 -1.6106 -1.6104 -1.6039 -1.6037 -0.4715 -0.4697 -0.4029 -0.4001 0.5183 0.5258 0.5984 0.6106 1.0658 1.0770 1.2686 1.2753 2.1111 2.1207 2.3812 2.3908 2.6651 2.6733 2.7549 2.7682 2.9933 3.0205 3.1535 3.1736 5.5880 5.5922 5.9253 5.9329 7.2619 7.2806 7.3577 7.3757 8.5743 8.5845 k = 0.0000 0.5533-0.0000 ( 7794 PWs) bands (ev): -8.6241 -8.6241 -8.5358 -8.5358 -8.2682 -8.2682 -8.1599 -8.1599 -3.9461 -3.9461 -3.9219 -3.9219 -3.5352 -3.5352 -3.5313 -3.5313 -2.5331 -2.5331 -2.4841 -2.4841 -1.9775 -1.9775 -1.9687 -1.9687 -1.6104 -1.6104 -1.6037 -1.6037 -0.4706 -0.4706 -0.4011 -0.4011 0.5213 0.5213 0.6038 0.6038 1.0715 1.0715 1.2723 1.2723 2.1166 2.1166 2.3887 2.3887 2.6715 2.6715 2.7628 2.7628 3.0083 3.0083 3.1656 3.1656 5.5877 5.5877 5.9290 5.9290 7.2685 7.2685 7.3599 7.3599 8.5783 8.5783 k = 0.0000 0.5533-0.0000 ( 7794 PWs) bands (ev): -8.6241 -8.6241 -8.5358 -8.5358 -8.2682 -8.2682 -8.1599 -8.1599 -3.9461 -3.9461 -3.9219 -3.9219 -3.5352 -3.5352 -3.5313 -3.5313 -2.5331 -2.5331 -2.4841 -2.4841 -1.9775 -1.9775 -1.9687 -1.9687 -1.6104 -1.6104 -1.6037 -1.6037 -0.4706 -0.4706 -0.4011 -0.4011 0.5213 0.5213 0.6038 0.6038 1.0715 1.0715 1.2723 1.2723 2.1166 2.1166 2.3887 2.3887 2.6715 2.6715 2.7628 2.7628 3.0083 3.0083 3.1656 3.1656 5.5877 5.5877 5.9290 5.9290 7.2685 7.2685 7.3599 7.3599 8.5783 8.5783 k = 0.0000 0.5533 0.0132 ( 7788 PWs) bands (ev): -8.6238 -8.6238 -8.5364 -8.5363 -8.2676 -8.2676 -8.1603 -8.1602 -3.9464 -3.9456 -3.9224 -3.9216 -3.5352 -3.5352 -3.5314 -3.5314 -2.5340 -2.5319 -2.4854 -2.4833 -1.9782 -1.9766 -1.9697 -1.9678 -1.6109 -1.6097 -1.6044 -1.6030 -0.4709 -0.4694 -0.4022 -0.4003 0.5133 0.5253 0.5996 0.6068 1.0681 1.0788 1.2618 1.2865 2.1088 2.1263 2.3856 2.3907 2.6626 2.6791 2.7538 2.7710 2.9919 3.0229 3.1576 3.1708 5.5871 5.5940 5.9271 5.9316 7.2662 7.2704 7.3591 7.3603 8.5702 8.5835 k = 0.0000 0.5533 0.0264 ( 7788 PWs) bands (ev): -8.6229 -8.6229 -8.5379 -8.5379 -8.2658 -8.2658 -8.1614 -8.1614 -3.9465 -3.9449 -3.9231 -3.9215 -3.5352 -3.5351 -3.5314 -3.5314 -2.5344 -2.5302 -2.4870 -2.4829 -1.9789 -1.9757 -1.9707 -1.9669 -1.6115 -1.6090 -1.6051 -1.6024 -0.4705 -0.4674 -0.4035 -0.3997 0.5023 0.5250 0.5934 0.6087 1.0682 1.0901 1.2555 1.3034 2.1032 2.1379 2.3811 2.3918 2.6533 2.6851 2.7439 2.7785 2.9740 3.0356 3.1470 3.1734 5.5922 5.6058 5.9258 5.9350 7.2637 7.2719 7.3578 7.3600 8.5595 8.5857 k = 0.0000 0.5533 0.0396 ( 7794 PWs) bands (ev): -8.6215 -8.6214 -8.5405 -8.5404 -8.2629 -8.2629 -8.1633 -8.1632 -3.9463 -3.9440 -3.9239 -3.9216 -3.5351 -3.5351 -3.5315 -3.5315 -2.5343 -2.5282 -2.4891 -2.4830 -1.9795 -1.9747 -1.9717 -1.9662 -1.6119 -1.6083 -1.6059 -1.6020 -0.4693 -0.4647 -0.4050 -0.3994 0.4900 0.5214 0.5847 0.6087 1.0719 1.1057 1.2529 1.3217 2.1001 2.1513 2.3748 2.3923 2.6440 2.6888 2.7329 2.7855 2.9555 3.0464 3.1339 3.1735 5.6027 5.6227 5.9248 5.9387 7.2612 7.2730 7.3562 7.3588 8.5469 8.5852 k = 0.0000 0.5533 0.0528 ( 7800 PWs) bands (ev): -8.6195 -8.6194 -8.5439 -8.5438 -8.2590 -8.2589 -8.1659 -8.1658 -3.9460 -3.9429 -3.9250 -3.9220 -3.5350 -3.5349 -3.5317 -3.5316 -2.5339 -2.5259 -2.4914 -2.4835 -1.9799 -1.9737 -1.9728 -1.9656 -1.6123 -1.6076 -1.6067 -1.6016 -0.4674 -0.4613 -0.4067 -0.3995 0.4776 0.5157 0.5733 0.6059 1.0794 1.1255 1.2532 1.3397 2.0997 2.1664 2.3665 2.3921 2.6351 2.6901 2.7210 2.7914 2.9376 3.0555 3.1187 3.1714 5.6182 5.6441 5.9236 5.9421 7.2590 7.2741 7.3542 7.3566 8.5333 8.5826 k = 0.0000 0.5533 0.0660 ( 7792 PWs) bands (ev): -8.6169 -8.6168 -8.5480 -8.5479 -8.2541 -8.2540 -8.1692 -8.1691 -3.9454 -3.9417 -3.9262 -3.9225 -3.5348 -3.5348 -3.5318 -3.5317 -2.5330 -2.5233 -2.4941 -2.4844 -1.9803 -1.9738 -1.9727 -1.9651 -1.6125 -1.6074 -1.6068 -1.6013 -0.4647 -0.4572 -0.4088 -0.4001 0.4662 0.5095 0.5596 0.5999 1.0907 1.1489 1.2548 1.3560 2.1025 2.1832 2.3559 2.3912 2.6272 2.6892 2.7083 2.7947 2.9223 3.0635 3.1018 3.1674 5.6381 5.6694 5.9213 5.9445 7.2577 7.2754 7.3517 7.3533 8.5197 8.5785 k = 0.0000 0.5533 0.0792 ( 7794 PWs) bands (ev): -8.6139 -8.6138 -8.5527 -8.5526 -8.2485 -8.2485 -8.1731 -8.1731 -3.9446 -3.9404 -3.9275 -3.9232 -3.5347 -3.5346 -3.5320 -3.5319 -2.5317 -2.5204 -2.4970 -2.4857 -1.9805 -1.9748 -1.9716 -1.9648 -1.6127 -1.6082 -1.6060 -1.6011 -0.4614 -0.4527 -0.4112 -0.4011 0.4565 0.5040 0.5441 0.5908 1.1055 1.1752 1.2565 1.3689 2.1087 2.2015 2.3427 2.3892 2.6207 2.6869 2.6950 2.7933 2.9124 3.0706 3.0836 3.1617 5.6617 5.6977 5.9174 5.9451 7.2575 7.2773 7.3485 7.3486 8.5073 8.5740 k = 0.0000 0.5533 0.0925 ( 7790 PWs) bands (ev): -8.6103 -8.6102 -8.5579 -8.5577 -8.2424 -8.2423 -8.1777 -8.1776 -3.9437 -3.9389 -3.9289 -3.9241 -3.5345 -3.5344 -3.5322 -3.5321 -2.5300 -2.5173 -2.5002 -2.4875 -1.9806 -1.9758 -1.9705 -1.9646 -1.6128 -1.6090 -1.6053 -1.6010 -0.4576 -0.4476 -0.4140 -0.4028 0.4493 0.4999 0.5277 0.5792 1.1231 1.2034 1.2569 1.3775 2.1187 2.2212 2.3269 2.3857 2.6159 2.6815 2.6843 2.7855 2.9099 3.0645 3.0773 3.1549 5.6881 5.7280 5.9110 5.9431 7.2590 7.2801 7.3424 7.3446 8.4973 8.5700 k = 0.0000 0.5533 0.1057 ( 7786 PWs) bands (ev): -8.6062 -8.6061 -8.5634 -8.5632 -8.2358 -8.2357 -8.1829 -8.1828 -3.9426 -3.9373 -3.9304 -3.9252 -3.5343 -3.5342 -3.5324 -3.5323 -2.5279 -2.5141 -2.5034 -2.4896 -1.9806 -1.9767 -1.9695 -1.9646 -1.6128 -1.6097 -1.6046 -1.6010 -0.4533 -0.4423 -0.4172 -0.4052 0.4448 0.4980 0.5112 0.5661 1.1425 1.2326 1.2552 1.3807 2.1325 2.2420 2.3085 2.3799 2.6131 2.6682 2.6826 2.7721 2.9145 3.0450 3.0839 3.1472 5.7164 5.7593 5.9016 5.9378 7.2624 7.2842 7.3347 7.3397 8.4906 8.5674 k = 0.0000 0.5533 0.1189 ( 7784 PWs) bands (ev): -8.6018 -8.6016 -8.5691 -8.5689 -8.2289 -8.2288 -8.1885 -8.1884 -3.9413 -3.9357 -3.9320 -3.9264 -3.5341 -3.5340 -3.5326 -3.5325 -2.5255 -2.5108 -2.5068 -2.4920 -1.9805 -1.9775 -1.9685 -1.9648 -1.6127 -1.6103 -1.6039 -1.6011 -0.4487 -0.4368 -0.4209 -0.4081 0.4433 0.4953 0.4985 0.5524 1.1626 1.2506 1.2616 1.3782 2.1498 2.2636 2.2878 2.3713 2.6125 2.6554 2.6832 2.7554 2.9243 3.0255 3.0907 3.1390 5.7456 5.7907 5.8887 5.9284 7.2678 7.2895 7.3257 7.3338 8.4884 8.5674 k = 0.0000 0.5533 0.1321 ( 7784 PWs) bands (ev): -8.5969 -8.5968 -8.5749 -8.5747 -8.2219 -8.2218 -8.1946 -8.1945 -3.9399 -3.9341 -3.9336 -3.9278 -3.5339 -3.5338 -3.5329 -3.5328 -2.5229 -2.5102 -2.5074 -2.4947 -1.9803 -1.9783 -1.9676 -1.9651 -1.6125 -1.6109 -1.6032 -1.6014 -0.4438 -0.4313 -0.4250 -0.4118 0.4450 0.4806 0.5018 0.5390 1.1825 1.2429 1.2895 1.3700 2.1702 2.2651 2.2853 2.3595 2.6143 2.6437 2.6871 2.7377 2.9375 3.0063 3.0979 3.1304 5.7746 5.8210 5.8722 5.9148 7.2751 7.2960 7.3157 7.3269 8.4912 8.5595 k = 0.0000 0.5533 0.1453 ( 7792 PWs) bands (ev): -8.5917 -8.5916 -8.5807 -8.5805 -8.2148 -8.2147 -8.2011 -8.2010 -3.9384 -3.9353 -3.9324 -3.9293 -3.5336 -3.5335 -3.5331 -3.5330 -2.5199 -2.5135 -2.5041 -2.4977 -1.9799 -1.9789 -1.9668 -1.9655 -1.6123 -1.6114 -1.6026 -1.6017 -0.4389 -0.4294 -0.4259 -0.4160 0.4497 0.4679 0.5077 0.5267 1.2012 1.2319 1.3152 1.3563 2.1928 2.2412 2.3066 2.3444 2.6185 2.6334 2.6948 2.7209 2.9529 2.9876 3.1055 3.1219 5.8026 5.8494 5.8520 5.8969 7.2841 7.3035 7.3050 7.3194 8.4997 8.5340 k = 0.0000 0.5533 0.1585 ( 7784 PWs) bands (ev): -8.5863 -8.5863 -8.5861 -8.5861 -8.2079 -8.2079 -8.2078 -8.2078 -3.9369 -3.9369 -3.9308 -3.9308 -3.5334 -3.5334 -3.5333 -3.5333 -2.5168 -2.5168 -2.5008 -2.5008 -1.9795 -1.9795 -1.9661 -1.9661 -1.6119 -1.6119 -1.6021 -1.6021 -0.4341 -0.4341 -0.4208 -0.4208 0.4575 0.4575 0.5161 0.5161 1.2178 1.2178 1.3378 1.3378 2.2167 2.2167 2.3266 2.3266 2.6249 2.6249 2.7063 2.7063 2.9697 2.9697 3.1135 3.1135 5.8287 5.8287 5.8750 5.8750 7.2943 7.2943 7.3114 7.3114 8.5140 8.5140 k = 0.0000 0.5533 0.1585 ( 7784 PWs) bands (ev): -8.5863 -8.5863 -8.5861 -8.5861 -8.2079 -8.2079 -8.2078 -8.2078 -3.9369 -3.9369 -3.9308 -3.9308 -3.5334 -3.5334 -3.5333 -3.5333 -2.5168 -2.5168 -2.5008 -2.5008 -1.9795 -1.9795 -1.9661 -1.9661 -1.6119 -1.6119 -1.6021 -1.6021 -0.4341 -0.4341 -0.4208 -0.4208 0.4575 0.4575 0.5161 0.5161 1.2178 1.2178 1.3378 1.3378 2.2167 2.2167 2.3266 2.3266 2.6249 2.6249 2.7063 2.7063 2.9697 2.9697 3.1135 3.1135 5.8287 5.8287 5.8750 5.8750 7.2943 7.2943 7.3114 7.3114 8.5140 8.5140 k = 0.0135 0.5533 0.1585 ( 7776 PWs) bands (ev): -8.5860 -8.5860 -8.5859 -8.5859 -8.2079 -8.2079 -8.2077 -8.2077 -3.9367 -3.9367 -3.9306 -3.9306 -3.5334 -3.5334 -3.5333 -3.5333 -2.5166 -2.5166 -2.5006 -2.5006 -1.9795 -1.9795 -1.9661 -1.9661 -1.6120 -1.6120 -1.6023 -1.6023 -0.4343 -0.4343 -0.4210 -0.4210 0.4583 0.4583 0.5170 0.5170 1.2170 1.2170 1.3373 1.3373 2.2149 2.2149 2.3251 2.3251 2.6248 2.6248 2.7062 2.7062 2.9664 2.9664 3.1108 3.1108 5.8297 5.8297 5.8762 5.8762 7.2983 7.2983 7.3165 7.3165 8.5156 8.5156 k = 0.0269 0.5533 0.1585 ( 7766 PWs) bands (ev): -8.5852 -8.5852 -8.5850 -8.5850 -8.2078 -8.2078 -8.2076 -8.2076 -3.9361 -3.9361 -3.9301 -3.9301 -3.5336 -3.5336 -3.5334 -3.5334 -2.5160 -2.5160 -2.5000 -2.5000 -1.9795 -1.9795 -1.9662 -1.9662 -1.6124 -1.6124 -1.6027 -1.6027 -0.4348 -0.4348 -0.4218 -0.4218 0.4607 0.4607 0.5199 0.5199 1.2143 1.2143 1.3359 1.3359 2.2093 2.2093 2.3206 2.3206 2.6242 2.6242 2.7058 2.7058 2.9569 2.9569 3.1028 3.1028 5.8329 5.8329 5.8797 5.8797 7.3103 7.3103 7.3317 7.3317 8.5205 8.5205 k = 0.0404 0.5533 0.1585 ( 7772 PWs) bands (ev): -8.5839 -8.5839 -8.5836 -8.5836 -8.2077 -8.2077 -8.2075 -8.2075 -3.9352 -3.9352 -3.9291 -3.9291 -3.5338 -3.5338 -3.5335 -3.5335 -2.5151 -2.5151 -2.4990 -2.4990 -1.9795 -1.9795 -1.9664 -1.9664 -1.6130 -1.6130 -1.6034 -1.6034 -0.4357 -0.4357 -0.4231 -0.4231 0.4647 0.4647 0.5246 0.5246 1.2100 1.2100 1.3335 1.3335 2.2001 2.2001 2.3133 2.3133 2.6230 2.6230 2.7050 2.7050 2.9417 2.9417 3.0900 3.0900 5.8379 5.8379 5.8853 5.8853 7.3305 7.3305 7.3562 7.3562 8.5287 8.5287 k = 0.0539 0.5533 0.1585 ( 7774 PWs) bands (ev): -8.5820 -8.5820 -8.5817 -8.5817 -8.2076 -8.2076 -8.2073 -8.2073 -3.9339 -3.9339 -3.9278 -3.9278 -3.5340 -3.5340 -3.5337 -3.5337 -2.5137 -2.5137 -2.4977 -2.4977 -1.9796 -1.9796 -1.9666 -1.9666 -1.6139 -1.6139 -1.6044 -1.6044 -0.4371 -0.4371 -0.4249 -0.4249 0.4703 0.4703 0.5311 0.5311 1.2042 1.2042 1.3302 1.3302 2.1872 2.1872 2.3032 2.3032 2.6207 2.6207 2.7033 2.7033 2.9221 2.9221 3.0730 3.0730 5.8444 5.8444 5.8926 5.8926 7.3583 7.3583 7.3891 7.3891 8.5404 8.5404 k = 0.0673 0.5533 0.1585 ( 7774 PWs) bands (ev): -8.5796 -8.5796 -8.5793 -8.5793 -8.2074 -8.2074 -8.2070 -8.2070 -3.9323 -3.9323 -3.9261 -3.9261 -3.5344 -3.5344 -3.5340 -3.5340 -2.5121 -2.5121 -2.4960 -2.4960 -1.9796 -1.9796 -1.9668 -1.9668 -1.6150 -1.6150 -1.6057 -1.6057 -0.4387 -0.4387 -0.4272 -0.4272 0.4773 0.4773 0.5393 0.5393 1.1969 1.1969 1.3260 1.3260 2.1707 2.1707 2.2905 2.2905 2.6167 2.6167 2.7002 2.7002 2.8999 2.8999 3.0528 3.0528 5.8521 5.8521 5.9009 5.9009 7.3934 7.3934 7.4296 7.4296 8.5557 8.5557 k = 0.0808 0.5533 0.1585 ( 7776 PWs) bands (ev): -8.5768 -8.5768 -8.5764 -8.5764 -8.2072 -8.2072 -8.2068 -8.2068 -3.9303 -3.9303 -3.9241 -3.9241 -3.5348 -3.5348 -3.5343 -3.5343 -2.5101 -2.5101 -2.4940 -2.4940 -1.9796 -1.9796 -1.9671 -1.9671 -1.6163 -1.6163 -1.6072 -1.6072 -0.4408 -0.4408 -0.4299 -0.4299 0.4857 0.4857 0.5491 0.5491 1.1885 1.1885 1.3210 1.3210 2.1507 2.1507 2.2749 2.2749 2.6101 2.6101 2.6951 2.6951 2.8772 2.8772 3.0304 3.0304 5.8605 5.8605 5.9097 5.9097 7.4346 7.4346 7.4767 7.4767 8.5748 8.5748 k = 0.0942 0.5533 0.1585 ( 7780 PWs) bands (ev): -8.5734 -8.5734 -8.5730 -8.5730 -8.2070 -8.2070 -8.2065 -8.2065 -3.9281 -3.9281 -3.9218 -3.9218 -3.5353 -3.5353 -3.5347 -3.5347 -2.5078 -2.5078 -2.4917 -2.4917 -1.9796 -1.9796 -1.9675 -1.9675 -1.6178 -1.6178 -1.6089 -1.6089 -0.4432 -0.4432 -0.4332 -0.4332 0.4954 0.4954 0.5603 0.5603 1.1791 1.1791 1.3153 1.3153 2.1270 2.1270 2.2564 2.2564 2.6000 2.6000 2.6875 2.6875 2.8562 2.8562 3.0071 3.0071 5.8689 5.8689 5.9183 5.9183 7.4811 7.4811 7.5293 7.5293 8.5976 8.5976 k = 0.1077 0.5533 0.1585 ( 7778 PWs) bands (ev): -8.5696 -8.5696 -8.5692 -8.5692 -8.2067 -8.2067 -8.2061 -8.2061 -3.9255 -3.9255 -3.9192 -3.9192 -3.5358 -3.5358 -3.5352 -3.5352 -2.5053 -2.5053 -2.4892 -2.4892 -1.9796 -1.9796 -1.9678 -1.9678 -1.6195 -1.6195 -1.6108 -1.6108 -0.4460 -0.4460 -0.4370 -0.4370 0.5061 0.5061 0.5728 0.5728 1.1691 1.1691 1.3092 1.3092 2.0998 2.0998 2.2345 2.2345 2.5857 2.5857 2.6774 2.6774 2.8388 2.8388 2.9844 2.9844 5.8769 5.8769 5.9262 5.9262 7.5315 7.5315 7.5864 7.5864 8.6243 8.6243 k = 0.1212 0.5533 0.1585 ( 7780 PWs) bands (ev): -8.5654 -8.5654 -8.5649 -8.5649 -8.2065 -8.2065 -8.2058 -8.2058 -3.9227 -3.9227 -3.9163 -3.9163 -3.5364 -3.5364 -3.5357 -3.5357 -2.5025 -2.5025 -2.4865 -2.4865 -1.9795 -1.9795 -1.9681 -1.9681 -1.6213 -1.6213 -1.6129 -1.6129 -0.4492 -0.4492 -0.4412 -0.4412 0.5178 0.5178 0.5863 0.5863 1.1587 1.1587 1.3027 1.3027 2.0690 2.0690 2.2085 2.2085 2.5672 2.5672 2.6654 2.6654 2.8259 2.8259 2.9633 2.9633 5.8839 5.8839 5.9329 5.9329 7.5848 7.5848 7.6466 7.6466 8.6544 8.6544 k = 0.1346 0.5533 0.1585 ( 7772 PWs) bands (ev): -8.5608 -8.5608 -8.5603 -8.5603 -8.2062 -8.2062 -8.2054 -8.2054 -3.9196 -3.9196 -3.9132 -3.9132 -3.5370 -3.5370 -3.5362 -3.5362 -2.4996 -2.4996 -2.4837 -2.4837 -1.9794 -1.9794 -1.9684 -1.9684 -1.6232 -1.6232 -1.6151 -1.6151 -0.4528 -0.4528 -0.4458 -0.4458 0.5302 0.5302 0.6006 0.6006 1.1485 1.1485 1.2963 1.2963 2.0346 2.0346 2.1778 2.1778 2.5458 2.5458 2.6521 2.6521 2.8171 2.8171 2.9450 2.9450 5.8894 5.8894 5.9378 5.9378 7.6397 7.6397 7.7090 7.7090 8.6866 8.6866 k = 0.1481 0.5533 0.1585 ( 7780 PWs) bands (ev): -8.5559 -8.5559 -8.5554 -8.5554 -8.2059 -8.2059 -8.2051 -8.2051 -3.9163 -3.9163 -3.9099 -3.9099 -3.5377 -3.5377 -3.5368 -3.5368 -2.4966 -2.4966 -2.4807 -2.4807 -1.9793 -1.9793 -1.9687 -1.9687 -1.6252 -1.6252 -1.6175 -1.6175 -0.4567 -0.4567 -0.4508 -0.4508 0.5431 0.5431 0.6153 0.6153 1.1388 1.1388 1.2901 1.2901 1.9967 1.9967 2.1418 2.1418 2.5236 2.5236 2.6379 2.6379 2.8117 2.8117 2.9300 2.9300 5.8930 5.8930 5.9407 5.9407 7.6951 7.6951 7.7722 7.7722 8.7162 8.7162 k = 0.1616 0.5533 0.1585 ( 7786 PWs) bands (ev): -8.5507 -8.5507 -8.5502 -8.5502 -8.2055 -8.2055 -8.2047 -8.2047 -3.9128 -3.9128 -3.9064 -3.9064 -3.5384 -3.5384 -3.5374 -3.5374 -2.4934 -2.4934 -2.4777 -2.4777 -1.9791 -1.9791 -1.9689 -1.9689 -1.6273 -1.6273 -1.6199 -1.6199 -0.4611 -0.4611 -0.4560 -0.4560 0.5562 0.5562 0.6301 0.6301 1.1301 1.1301 1.2847 1.2847 1.9554 1.9554 2.1004 2.1004 2.5025 2.5025 2.6233 2.6233 2.8087 2.8087 2.9187 2.9187 5.8944 5.8944 5.9411 5.9411 7.7499 7.7499 7.8353 7.8353 8.7412 8.7412 k = 0.1750 0.5533 0.1585 ( 7776 PWs) bands (ev): -8.5453 -8.5453 -8.5447 -8.5447 -8.2052 -8.2052 -8.2044 -8.2044 -3.9092 -3.9092 -3.9027 -3.9027 -3.5391 -3.5391 -3.5381 -3.5381 -2.4903 -2.4903 -2.4748 -2.4748 -1.9788 -1.9788 -1.9690 -1.9690 -1.6294 -1.6294 -1.6223 -1.6223 -0.4660 -0.4660 -0.4614 -0.4614 0.5693 0.5693 0.6445 0.6445 1.1230 1.1230 1.2802 1.2802 1.9111 1.9111 2.0539 2.0539 2.4839 2.4839 2.6085 2.6085 2.8075 2.8075 2.9107 2.9107 5.8935 5.8935 5.9391 5.9391 7.8032 7.8032 7.8972 7.8972 8.7649 8.7649 k = 0.1885 0.5533 0.1585 ( 7782 PWs) bands (ev): -8.5397 -8.5397 -8.5391 -8.5391 -8.2050 -8.2050 -8.2041 -8.2041 -3.9055 -3.9055 -3.8990 -3.8990 -3.5398 -3.5398 -3.5387 -3.5387 -2.4871 -2.4871 -2.4719 -2.4719 -1.9784 -1.9784 -1.9691 -1.9691 -1.6315 -1.6315 -1.6248 -1.6248 -0.4715 -0.4715 -0.4668 -0.4668 0.5822 0.5822 0.6580 0.6580 1.1180 1.1180 1.2772 1.2772 1.8641 1.8641 2.0031 2.0031 2.4685 2.4685 2.5941 2.5941 2.8077 2.8077 2.9058 2.9058 5.8902 5.8902 5.9346 5.9346 7.8543 7.8543 7.9570 7.9570 8.7877 8.7877 k = 0.2020 0.5533 0.1585 ( 7776 PWs) bands (ev): -8.5339 -8.5339 -8.5333 -8.5333 -8.2047 -8.2047 -8.2038 -8.2038 -3.9017 -3.9017 -3.8952 -3.8952 -3.5405 -3.5405 -3.5394 -3.5394 -2.4841 -2.4841 -2.4691 -2.4691 -1.9780 -1.9780 -1.9690 -1.9690 -1.6335 -1.6335 -1.6272 -1.6272 -0.4774 -0.4774 -0.4721 -0.4721 0.5943 0.5943 0.6700 0.6700 1.1156 1.1156 1.2760 1.2760 1.8150 1.8150 1.9492 1.9492 2.4562 2.4562 2.5803 2.5803 2.8089 2.8089 2.9035 2.9035 5.8846 5.8846 5.9278 5.9278 7.9027 7.9027 8.0140 8.0140 8.8096 8.8096 k = 0.2154 0.5533 0.1585 ( 7784 PWs) bands (ev): -8.5280 -8.5280 -8.5274 -8.5274 -8.2045 -8.2045 -8.2036 -8.2036 -3.8979 -3.8979 -3.8914 -3.8914 -3.5413 -3.5413 -3.5401 -3.5401 -2.4812 -2.4812 -2.4665 -2.4665 -1.9774 -1.9774 -1.9689 -1.9689 -1.6354 -1.6354 -1.6296 -1.6296 -0.4836 -0.4836 -0.4775 -0.4775 0.6055 0.6055 0.6802 0.6802 1.1164 1.1164 1.2769 1.2769 1.7646 1.7646 1.8934 1.8934 2.4466 2.4466 2.5674 2.5674 2.8110 2.8110 2.9033 2.9033 5.8768 5.8768 5.9187 5.9187 7.9478 7.9478 8.0676 8.0676 8.8299 8.8299 k = 0.2289 0.5533 0.1585 ( 7782 PWs) bands (ev): -8.5221 -8.5221 -8.5215 -8.5215 -8.2043 -8.2043 -8.2034 -8.2034 -3.8941 -3.8941 -3.8876 -3.8876 -3.5420 -3.5420 -3.5407 -3.5407 -2.4784 -2.4784 -2.4641 -2.4641 -1.9768 -1.9768 -1.9686 -1.9686 -1.6372 -1.6372 -1.6318 -1.6318 -0.4901 -0.4901 -0.4829 -0.4829 0.6154 0.6154 0.6879 0.6879 1.1207 1.1207 1.2801 1.2801 1.7137 1.7137 1.8372 1.8372 2.4393 2.4393 2.5555 2.5555 2.8139 2.8139 2.9050 2.9050 5.8671 5.8671 5.9079 5.9079 7.9892 7.9892 8.1173 8.1173 8.8483 8.8483 k = 0.2424 0.5533 0.1585 ( 7782 PWs) bands (ev): -8.5163 -8.5163 -8.5157 -8.5157 -8.2042 -8.2042 -8.2033 -8.2033 -3.8903 -3.8903 -3.8839 -3.8839 -3.5426 -3.5426 -3.5413 -3.5413 -2.4759 -2.4759 -2.4619 -2.4619 -1.9760 -1.9760 -1.9683 -1.9683 -1.6389 -1.6389 -1.6339 -1.6339 -0.4966 -0.4966 -0.4884 -0.4884 0.6238 0.6238 0.6930 0.6930 1.1286 1.1286 1.2859 1.2859 1.6631 1.6631 1.7816 1.7816 2.4338 2.4338 2.5445 2.5445 2.8175 2.8175 2.9082 2.9082 5.8559 5.8559 5.8955 5.8955 8.0269 8.0269 8.1629 8.1629 8.8642 8.8642 k = 0.2558 0.5533 0.1585 ( 7780 PWs) bands (ev): -8.5105 -8.5105 -8.5100 -8.5100 -8.2041 -8.2041 -8.2033 -8.2033 -3.8867 -3.8867 -3.8803 -3.8803 -3.5433 -3.5433 -3.5419 -3.5419 -2.4736 -2.4736 -2.4600 -2.4600 -1.9752 -1.9752 -1.9677 -1.9677 -1.6405 -1.6405 -1.6358 -1.6358 -0.5031 -0.5031 -0.4938 -0.4938 0.6302 0.6302 0.6951 0.6951 1.1399 1.1399 1.2943 1.2943 1.6139 1.6139 1.7278 1.7278 2.4295 2.4295 2.5344 2.5344 2.8218 2.8218 2.9127 2.9127 5.8435 5.8435 5.8819 5.8819 8.0605 8.0605 8.2041 8.2041 8.8775 8.8775 k = 0.2693 0.5533 0.1585 ( 7780 PWs) bands (ev): -8.5050 -8.5050 -8.5044 -8.5044 -8.2041 -8.2041 -8.2033 -8.2033 -3.8832 -3.8832 -3.8769 -3.8769 -3.5438 -3.5438 -3.5424 -3.5424 -2.4716 -2.4716 -2.4584 -2.4584 -1.9743 -1.9743 -1.9671 -1.9671 -1.6418 -1.6418 -1.6375 -1.6375 -0.5095 -0.5095 -0.4992 -0.4992 0.6346 0.6346 0.6944 0.6944 1.1542 1.1542 1.3051 1.3051 1.5671 1.5671 1.6771 1.6771 2.4262 2.4262 2.5249 2.5249 2.8267 2.8267 2.9184 2.9184 5.8304 5.8304 5.8677 5.8677 8.0899 8.0899 8.2410 8.2410 8.8878 8.8878 k = 0.2827 0.5533 0.1585 ( 7770 PWs) bands (ev): -8.4996 -8.4996 -8.4991 -8.4991 -8.2042 -8.2042 -8.2034 -8.2034 -3.8799 -3.8799 -3.8736 -3.8736 -3.5444 -3.5444 -3.5429 -3.5429 -2.4699 -2.4699 -2.4571 -2.4571 -1.9734 -1.9734 -1.9664 -1.9664 -1.6429 -1.6429 -1.6390 -1.6390 -0.5156 -0.5156 -0.5046 -0.5046 0.6366 0.6366 0.6908 0.6908 1.1707 1.1707 1.3181 1.3181 1.5242 1.5242 1.6305 1.6305 2.4233 2.4233 2.5159 2.5159 2.8323 2.8323 2.9253 2.9253 5.8168 5.8168 5.8532 5.8532 8.1150 8.1150 8.2736 8.2736 8.8951 8.8951 k = 0.2962 0.5533 0.1585 ( 7772 PWs) bands (ev): -8.4945 -8.4945 -8.4941 -8.4941 -8.2043 -8.2043 -8.2036 -8.2036 -3.8768 -3.8768 -3.8706 -3.8706 -3.5448 -3.5448 -3.5433 -3.5433 -2.4685 -2.4685 -2.4562 -2.4562 -1.9723 -1.9723 -1.9656 -1.9656 -1.6439 -1.6439 -1.6403 -1.6403 -0.5213 -0.5213 -0.5098 -0.5098 0.6361 0.6361 0.6847 0.6847 1.1880 1.1880 1.3323 1.3323 1.4870 1.4870 1.5892 1.5892 2.4207 2.4207 2.5072 2.5072 2.8385 2.8385 2.9332 2.9332 5.8033 5.8033 5.8388 5.8388 8.1358 8.1358 8.3020 8.3020 8.8994 8.8994 k = 0.3097 0.5533 0.1585 ( 7772 PWs) bands (ev): -8.4899 -8.4899 -8.4894 -8.4894 -8.2046 -8.2046 -8.2039 -8.2039 -3.8740 -3.8740 -3.8679 -3.8679 -3.5452 -3.5452 -3.5437 -3.5437 -2.4674 -2.4674 -2.4555 -2.4555 -1.9713 -1.9713 -1.9647 -1.9647 -1.6446 -1.6446 -1.6413 -1.6413 -0.5267 -0.5267 -0.5148 -0.5148 0.6331 0.6331 0.6763 0.6763 1.2042 1.2042 1.3464 1.3464 1.4579 1.4579 1.5549 1.5549 2.4180 2.4180 2.4987 2.4987 2.8454 2.8454 2.9421 2.9421 5.7901 5.7901 5.8249 5.8249 8.1522 8.1522 8.3264 8.3264 8.9007 8.9007 k = 0.3231 0.5533 0.1585 ( 7772 PWs) bands (ev): -8.4856 -8.4856 -8.4852 -8.4852 -8.2049 -8.2049 -8.2042 -8.2042 -3.8714 -3.8714 -3.8654 -3.8654 -3.5455 -3.5455 -3.5440 -3.5440 -2.4666 -2.4666 -2.4551 -2.4551 -1.9702 -1.9702 -1.9638 -1.9638 -1.6451 -1.6451 -1.6420 -1.6420 -0.5317 -0.5317 -0.5197 -0.5197 0.6273 0.6273 0.6660 0.6660 1.2168 1.2168 1.3576 1.3576 1.4405 1.4405 1.5294 1.5294 2.4151 2.4151 2.4903 2.4903 2.8529 2.8529 2.9519 2.9519 5.7775 5.7775 5.8118 5.8118 8.1644 8.1644 8.3472 8.3472 8.8993 8.8993 k = 0.3366 0.5533 0.1585 ( 7766 PWs) bands (ev): -8.4819 -8.4819 -8.4815 -8.4815 -8.2053 -8.2053 -8.2047 -8.2047 -3.8692 -3.8692 -3.8633 -3.8633 -3.5458 -3.5458 -3.5442 -3.5442 -2.4661 -2.4661 -2.4550 -2.4550 -1.9691 -1.9691 -1.9628 -1.9628 -1.6454 -1.6454 -1.6425 -1.6425 -0.5363 -0.5363 -0.5243 -0.5243 0.6189 0.6189 0.6543 0.6543 1.2232 1.2232 1.3636 1.3636 1.4371 1.4371 1.5156 1.5156 2.4120 2.4120 2.4820 2.4820 2.8609 2.8609 2.9627 2.9627 5.7659 5.7659 5.7999 5.7999 8.1724 8.1724 8.3644 8.3644 8.8955 8.8955 k = 0.3501 0.5533 0.1585 ( 7762 PWs) bands (ev): -8.4787 -8.4787 -8.4784 -8.4784 -8.2058 -8.2058 -8.2053 -8.2053 -3.8673 -3.8673 -3.8615 -3.8615 -3.5460 -3.5460 -3.5444 -3.5444 -2.4658 -2.4658 -2.4550 -2.4550 -1.9679 -1.9679 -1.9618 -1.9618 -1.6455 -1.6455 -1.6428 -1.6428 -0.5404 -0.5404 -0.5286 -0.5286 0.6079 0.6079 0.6417 0.6417 1.2227 1.2227 1.3649 1.3649 1.4453 1.4453 1.5158 1.5158 2.4084 2.4084 2.4739 2.4739 2.8696 2.8696 2.9742 2.9742 5.7555 5.7555 5.7893 5.7893 8.1766 8.1766 8.3785 8.3785 8.8894 8.8894 k = 0.3501 0.5533 0.1585 ( 7762 PWs) bands (ev): -8.4787 -8.4787 -8.4784 -8.4784 -8.2058 -8.2058 -8.2053 -8.2053 -3.8673 -3.8673 -3.8615 -3.8615 -3.5460 -3.5460 -3.5444 -3.5444 -2.4658 -2.4658 -2.4550 -2.4550 -1.9679 -1.9679 -1.9618 -1.9618 -1.6455 -1.6455 -1.6428 -1.6428 -0.5404 -0.5404 -0.5286 -0.5286 0.6079 0.6079 0.6417 0.6417 1.2227 1.2227 1.3649 1.3649 1.4453 1.4453 1.5158 1.5158 2.4084 2.4084 2.4739 2.4739 2.8696 2.8696 2.9742 2.9742 5.7555 5.7555 5.7893 5.7893 8.1766 8.1766 8.3785 8.3785 8.8894 8.8894 k = 0.3426 0.5415 0.1585 ( 7768 PWs) bands (ev): -8.4845 -8.4845 -8.4841 -8.4841 -8.2048 -8.2048 -8.2041 -8.2041 -3.8707 -3.8707 -3.8647 -3.8647 -3.5457 -3.5457 -3.5441 -3.5441 -2.4662 -2.4662 -2.4548 -2.4548 -1.9701 -1.9701 -1.9637 -1.9637 -1.6454 -1.6454 -1.6425 -1.6425 -0.5329 -0.5329 -0.5206 -0.5206 0.6316 0.6316 0.6666 0.6666 1.2306 1.2306 1.3664 1.3664 1.4216 1.4216 1.5037 1.5037 2.4164 2.4164 2.4900 2.4900 2.8521 2.8521 2.9507 2.9507 5.7747 5.7747 5.8085 5.8085 8.1716 8.1716 8.3534 8.3534 8.9016 8.9016 k = 0.3352 0.5298 0.1585 ( 7776 PWs) bands (ev): -8.4907 -8.4907 -8.4903 -8.4903 -8.2038 -8.2038 -8.2031 -8.2031 -3.8743 -3.8743 -3.8681 -3.8681 -3.5455 -3.5455 -3.5439 -3.5439 -2.4667 -2.4667 -2.4546 -2.4546 -1.9723 -1.9723 -1.9657 -1.9657 -1.6453 -1.6453 -1.6421 -1.6421 -0.5255 -0.5255 -0.5126 -0.5126 0.6555 0.6555 0.6916 0.6916 1.2406 1.2406 1.3695 1.3695 1.4001 1.4001 1.4953 1.4953 2.4260 2.4260 2.5072 2.5072 2.8342 2.8342 2.9268 2.9268 5.7943 5.7943 5.8282 5.8282 8.1659 8.1659 8.3271 8.3271 8.9105 8.9105 k = 0.3277 0.5180 0.1585 ( 7784 PWs) bands (ev): -8.4973 -8.4973 -8.4969 -8.4969 -8.2030 -8.2030 -8.2022 -8.2022 -3.8781 -3.8781 -3.8716 -3.8716 -3.5453 -3.5453 -3.5438 -3.5438 -2.4674 -2.4674 -2.4547 -2.4547 -1.9745 -1.9745 -1.9676 -1.9676 -1.6451 -1.6451 -1.6418 -1.6418 -0.5182 -0.5182 -0.5049 -0.5049 0.6795 0.6795 0.7166 0.7166 1.2526 1.2526 1.3720 1.3720 1.3842 1.3842 1.4903 1.4903 2.4373 2.4373 2.5248 2.5248 2.8163 2.8163 2.9027 2.9027 5.8143 5.8143 5.8483 5.8483 8.1598 8.1598 8.3004 8.3004 8.9163 8.9163 k = 0.3203 0.5062 0.1585 ( 7784 PWs) bands (ev): -8.5044 -8.5044 -8.5039 -8.5039 -8.2023 -8.2023 -8.2015 -8.2015 -3.8819 -3.8819 -3.8752 -3.8752 -3.5452 -3.5452 -3.5437 -3.5437 -2.4683 -2.4683 -2.4550 -2.4550 -1.9768 -1.9768 -1.9696 -1.9696 -1.6449 -1.6449 -1.6415 -1.6415 -0.5111 -0.5111 -0.4975 -0.4975 0.7032 0.7032 0.7413 0.7413 1.2661 1.2661 1.3630 1.3630 1.3861 1.3861 1.4890 1.4890 2.4499 2.4499 2.5422 2.5422 2.7988 2.7988 2.8791 2.8791 5.8346 5.8346 5.8689 5.8689 8.1536 8.1536 8.2735 8.2735 8.9190 8.9190 k = 0.3128 0.4945 0.1585 ( 7794 PWs) bands (ev): -8.5119 -8.5119 -8.5114 -8.5114 -8.2018 -8.2018 -8.2009 -8.2009 -3.8859 -3.8859 -3.8790 -3.8790 -3.5451 -3.5451 -3.5436 -3.5436 -2.4693 -2.4693 -2.4554 -2.4554 -1.9790 -1.9790 -1.9717 -1.9717 -1.6446 -1.6446 -1.6411 -1.6411 -0.5043 -0.5043 -0.4903 -0.4903 0.7266 0.7266 0.7655 0.7655 1.2799 1.2799 1.3539 1.3539 1.3960 1.3960 1.4915 1.4915 2.4635 2.4635 2.5586 2.5586 2.7821 2.7821 2.8568 2.8568 5.8551 5.8551 5.8898 5.8898 8.1472 8.1472 8.2467 8.2467 8.9193 8.9193 k = 0.3054 0.4827 0.1585 ( 7802 PWs) bands (ev): -8.5199 -8.5199 -8.5193 -8.5193 -8.2014 -8.2014 -8.2004 -8.2004 -3.8900 -3.8900 -3.8829 -3.8829 -3.5451 -3.5451 -3.5437 -3.5437 -2.4706 -2.4706 -2.4561 -2.4561 -1.9813 -1.9813 -1.9737 -1.9737 -1.6443 -1.6443 -1.6407 -1.6407 -0.4976 -0.4976 -0.4835 -0.4835 0.7494 0.7494 0.7890 0.7890 1.2920 1.2920 1.3517 1.3517 1.4092 1.4092 1.4981 1.4981 2.4776 2.4776 2.5731 2.5731 2.7666 2.7666 2.8373 2.8373 5.8758 5.8758 5.9109 5.9109 8.1406 8.1406 8.2205 8.2205 8.9176 8.9176 k = 0.2979 0.4709 0.1585 ( 7796 PWs) bands (ev): -8.5283 -8.5283 -8.5276 -8.5276 -8.2012 -8.2012 -8.2002 -8.2002 -3.8942 -3.8942 -3.8869 -3.8869 -3.5452 -3.5452 -3.5438 -3.5438 -2.4719 -2.4719 -2.4569 -2.4569 -1.9836 -1.9836 -1.9758 -1.9758 -1.6439 -1.6439 -1.6402 -1.6402 -0.4912 -0.4912 -0.4770 -0.4770 0.7715 0.7715 0.8117 0.8117 1.3005 1.3005 1.3587 1.3587 1.4258 1.4258 1.5090 1.5090 2.4915 2.4915 2.5849 2.5849 2.7519 2.7519 2.8223 2.8223 5.8966 5.8966 5.9321 5.9321 8.1335 8.1335 8.1952 8.1952 8.9143 8.9143 k = 0.2905 0.4591 0.1585 ( 7804 PWs) bands (ev): -8.5371 -8.5371 -8.5364 -8.5364 -8.2013 -8.2013 -8.2001 -8.2001 -3.8984 -3.8984 -3.8910 -3.8910 -3.5454 -3.5454 -3.5440 -3.5440 -2.4735 -2.4735 -2.4580 -2.4580 -1.9860 -1.9860 -1.9779 -1.9779 -1.6434 -1.6434 -1.6397 -1.6397 -0.4850 -0.4850 -0.4709 -0.4709 0.7927 0.7927 0.8333 0.8333 1.3066 1.3066 1.3737 1.3737 1.4462 1.4462 1.5245 1.5245 2.5042 2.5042 2.5935 2.5935 2.7376 2.7376 2.8143 2.8143 5.9173 5.9173 5.9534 5.9534 8.1250 8.1250 8.1719 8.1719 8.9097 8.9097 k = 0.2830 0.4474 0.1585 ( 7812 PWs) bands (ev): -8.5463 -8.5463 -8.5456 -8.5456 -8.2015 -8.2015 -8.2003 -8.2003 -3.9028 -3.9028 -3.8952 -3.8952 -3.5456 -3.5456 -3.5443 -3.5443 -2.4752 -2.4752 -2.4593 -2.4593 -1.9883 -1.9883 -1.9800 -1.9800 -1.6428 -1.6428 -1.6392 -1.6392 -0.4790 -0.4790 -0.4652 -0.4652 0.8128 0.8128 0.8537 0.8537 1.3133 1.3133 1.3932 1.3932 1.4706 1.4706 1.5444 1.5444 2.5141 2.5141 2.5993 2.5993 2.7235 2.7235 2.8144 2.8144 5.9379 5.9379 5.9746 5.9746 8.1135 8.1135 8.1523 8.1523 8.9043 8.9043 k = 0.2756 0.4356 0.1585 ( 7810 PWs) bands (ev): -8.5559 -8.5559 -8.5551 -8.5551 -8.2019 -8.2019 -8.2007 -8.2007 -3.9071 -3.9071 -3.8994 -3.8994 -3.5459 -3.5459 -3.5447 -3.5447 -2.4770 -2.4770 -2.4607 -2.4607 -1.9906 -1.9906 -1.9822 -1.9822 -1.6422 -1.6422 -1.6386 -1.6386 -0.4732 -0.4732 -0.4599 -0.4599 0.8319 0.8319 0.8730 0.8730 1.3227 1.3227 1.4152 1.4152 1.4993 1.4993 1.5687 1.5687 2.5199 2.5199 2.6035 2.6035 2.7107 2.7107 2.8220 2.8220 5.9582 5.9582 5.9956 5.9956 8.0972 8.0972 8.1384 8.1384 8.8978 8.8978 k = 0.2681 0.4238 0.1585 ( 7814 PWs) bands (ev): -8.5659 -8.5659 -8.5651 -8.5651 -8.2025 -8.2025 -8.2013 -8.2013 -3.9116 -3.9116 -3.9038 -3.9038 -3.5463 -3.5463 -3.5452 -3.5452 -2.4790 -2.4790 -2.4623 -2.4623 -1.9929 -1.9929 -1.9843 -1.9843 -1.6416 -1.6416 -1.6380 -1.6380 -0.4676 -0.4676 -0.4550 -0.4550 0.8499 0.8499 0.8912 0.8912 1.3354 1.3354 1.4388 1.4388 1.5321 1.5321 1.5973 1.5973 2.5206 2.5206 2.6066 2.6066 2.7015 2.7015 2.8354 2.8354 5.9781 5.9781 6.0163 6.0163 8.0774 8.0774 8.1291 8.1291 8.8900 8.8900 k = 0.2607 0.4120 0.1585 ( 7806 PWs) bands (ev): -8.5762 -8.5762 -8.5754 -8.5754 -8.2034 -8.2034 -8.2021 -8.2021 -3.9160 -3.9160 -3.9081 -3.9081 -3.5468 -3.5468 -3.5458 -3.5458 -2.4811 -2.4811 -2.4642 -2.4642 -1.9953 -1.9953 -1.9864 -1.9864 -1.6409 -1.6409 -1.6373 -1.6373 -0.4623 -0.4623 -0.4505 -0.4505 0.8670 0.8670 0.9085 0.9085 1.3517 1.3517 1.4639 1.4639 1.5686 1.5686 1.6300 1.6300 2.5170 2.5170 2.6075 2.6075 2.6984 2.6984 2.8528 2.8528 5.9976 5.9976 6.0365 6.0365 8.0563 8.0563 8.1223 8.1223 8.8800 8.8800 k = 0.2532 0.4003 0.1585 ( 7806 PWs) bands (ev): -8.5868 -8.5868 -8.5860 -8.5860 -8.2045 -8.2045 -8.2032 -8.2032 -3.9205 -3.9205 -3.9126 -3.9126 -3.5474 -3.5474 -3.5464 -3.5464 -2.4833 -2.4833 -2.4661 -2.4661 -1.9976 -1.9976 -1.9884 -1.9884 -1.6402 -1.6402 -1.6367 -1.6367 -0.4571 -0.4571 -0.4463 -0.4463 0.8831 0.8831 0.9250 0.9250 1.3713 1.3713 1.4904 1.4904 1.6084 1.6084 1.6665 1.6665 2.5108 2.5108 2.6049 2.6049 2.7027 2.7027 2.8728 2.8728 6.0165 6.0165 6.0561 6.0561 8.0354 8.0354 8.1165 8.1165 8.8670 8.8670 k = 0.2458 0.3885 0.1585 ( 7800 PWs) bands (ev): -8.5978 -8.5978 -8.5969 -8.5969 -8.2058 -8.2058 -8.2045 -8.2045 -3.9249 -3.9249 -3.9170 -3.9170 -3.5480 -3.5480 -3.5471 -3.5471 -2.4855 -2.4855 -2.4683 -2.4683 -1.9998 -1.9998 -1.9905 -1.9905 -1.6394 -1.6394 -1.6360 -1.6360 -0.4521 -0.4521 -0.4425 -0.4425 0.8986 0.8986 0.9412 0.9412 1.3942 1.3942 1.5184 1.5184 1.6510 1.6510 1.7066 1.7066 2.5034 2.5034 2.5996 2.5996 2.7130 2.7130 2.8944 2.8944 6.0346 6.0346 6.0750 6.0750 8.0154 8.0154 8.1114 8.1114 8.8510 8.8510 k = 0.2383 0.3767 0.1585 ( 7800 PWs) bands (ev): -8.6090 -8.6090 -8.6081 -8.6081 -8.2073 -8.2073 -8.2060 -8.2060 -3.9294 -3.9294 -3.9214 -3.9214 -3.5487 -3.5487 -3.5480 -3.5480 -2.4879 -2.4879 -2.4705 -2.4705 -2.0021 -2.0021 -1.9925 -1.9925 -1.6387 -1.6387 -1.6353 -1.6353 -0.4473 -0.4473 -0.4390 -0.4390 0.9134 0.9134 0.9571 0.9571 1.4198 1.4198 1.5479 1.5479 1.6959 1.6959 1.7501 1.7501 2.4963 2.4963 2.5935 2.5935 2.7272 2.7272 2.9169 2.9169 6.0518 6.0518 6.0931 6.0931 7.9967 7.9967 8.1067 8.1067 8.8334 8.8334 k = 0.2309 0.3650 0.1585 ( 7800 PWs) bands (ev): -8.6204 -8.6204 -8.6196 -8.6196 -8.2091 -8.2091 -8.2077 -8.2077 -3.9338 -3.9338 -3.9259 -3.9259 -3.5496 -3.5496 -3.5489 -3.5489 -2.4903 -2.4903 -2.4729 -2.4729 -2.0043 -2.0043 -1.9945 -1.9945 -1.6380 -1.6380 -1.6347 -1.6347 -0.4427 -0.4427 -0.4358 -0.4358 0.9279 0.9279 0.9732 0.9732 1.4480 1.4480 1.5790 1.5790 1.7426 1.7426 1.7967 1.7967 2.4904 2.4904 2.5880 2.5880 2.7436 2.7436 2.9397 2.9397 6.0682 6.0682 6.1102 6.1102 7.9794 7.9794 8.1023 8.1023 8.8153 8.8153 k = 0.2234 0.3532 0.1585 ( 7796 PWs) bands (ev): -8.6321 -8.6321 -8.6312 -8.6312 -8.2111 -8.2111 -8.2097 -8.2097 -3.9381 -3.9381 -3.9303 -3.9303 -3.5504 -3.5504 -3.5498 -3.5498 -2.4928 -2.4928 -2.4754 -2.4754 -2.0064 -2.0064 -1.9965 -1.9965 -1.6374 -1.6374 -1.6341 -1.6341 -0.4383 -0.4383 -0.4328 -0.4328 0.9422 0.9422 0.9895 0.9895 1.4783 1.4783 1.6115 1.6115 1.7906 1.7906 1.8460 1.8460 2.4865 2.4865 2.5842 2.5842 2.7610 2.7610 2.9627 2.9627 6.0834 6.0834 6.1262 6.1262 7.9637 7.9637 8.0982 8.0982 8.7972 8.7972 k = 0.2160 0.3414 0.1585 ( 7800 PWs) bands (ev): -8.6439 -8.6439 -8.6431 -8.6431 -8.2132 -8.2132 -8.2119 -8.2119 -3.9424 -3.9424 -3.9347 -3.9347 -3.5514 -3.5514 -3.5509 -3.5509 -2.4953 -2.4953 -2.4780 -2.4780 -2.0085 -2.0085 -1.9984 -1.9984 -1.6368 -1.6368 -1.6335 -1.6335 -0.4341 -0.4341 -0.4301 -0.4301 0.9564 0.9564 1.0062 1.0062 1.5106 1.5106 1.6456 1.6456 1.8394 1.8394 1.8976 1.8976 2.4853 2.4853 2.5824 2.5824 2.7789 2.7789 2.9853 2.9853 6.0975 6.0975 6.1410 6.1410 7.9498 7.9498 8.0942 8.0942 8.7792 8.7792 k = 0.2086 0.3296 0.1585 ( 7804 PWs) bands (ev): -8.6559 -8.6559 -8.6551 -8.6551 -8.2156 -8.2156 -8.2143 -8.2143 -3.9467 -3.9467 -3.9390 -3.9390 -3.5524 -3.5524 -3.5520 -3.5520 -2.4978 -2.4978 -2.4806 -2.4806 -2.0105 -2.0105 -2.0002 -2.0002 -1.6364 -1.6364 -1.6330 -1.6330 -0.4303 -0.4303 -0.4276 -0.4276 0.9705 0.9705 1.0233 1.0233 1.5447 1.5447 1.6812 1.6812 1.8884 1.8884 1.9512 1.9512 2.4875 2.4875 2.5831 2.5831 2.7968 2.7968 3.0076 3.0076 6.1104 6.1104 6.1546 6.1546 7.9377 7.9377 8.0905 8.0905 8.7612 8.7612 k = 0.2011 0.3179 0.1585 ( 7810 PWs) bands (ev): -8.6679 -8.6679 -8.6671 -8.6671 -8.2182 -8.2182 -8.2168 -8.2168 -3.9509 -3.9509 -3.9433 -3.9433 -3.5535 -3.5535 -3.5532 -3.5532 -2.5004 -2.5004 -2.4834 -2.4834 -2.0125 -2.0125 -2.0020 -2.0020 -1.6360 -1.6360 -1.6326 -1.6326 -0.4270 -0.4270 -0.4251 -0.4251 0.9849 0.9849 1.0409 1.0409 1.5804 1.5804 1.7182 1.7182 1.9369 1.9369 2.0064 2.0064 2.4935 2.4935 2.5863 2.5863 2.8146 2.8146 3.0293 3.0293 6.1219 6.1219 6.1668 6.1668 7.9274 7.9274 8.0869 8.0869 8.7429 8.7429 k = 0.1937 0.3061 0.1585 ( 7810 PWs) bands (ev): -8.6801 -8.6801 -8.6792 -8.6792 -8.2209 -8.2209 -8.2195 -8.2195 -3.9549 -3.9549 -3.9475 -3.9475 -3.5547 -3.5547 -3.5544 -3.5544 -2.5029 -2.5029 -2.4861 -2.4861 -2.0144 -2.0144 -2.0038 -2.0038 -1.6358 -1.6358 -1.6324 -1.6324 -0.4245 -0.4245 -0.4223 -0.4223 0.9994 0.9994 1.0590 1.0590 1.6176 1.6176 1.7566 1.7566 1.9843 1.9843 2.0626 2.0626 2.5039 2.5039 2.5922 2.5922 2.8321 2.8321 3.0502 3.0502 6.1320 6.1320 6.1775 6.1775 7.9189 7.9189 8.0834 8.0834 8.7239 8.7239 k = 0.1862 0.2943 0.1585 ( 7810 PWs) bands (ev): -8.6922 -8.6922 -8.6914 -8.6914 -8.2237 -8.2237 -8.2224 -8.2224 -3.9589 -3.9589 -3.9516 -3.9516 -3.5559 -3.5559 -3.5557 -3.5557 -2.5054 -2.5054 -2.4889 -2.4889 -2.0162 -2.0162 -2.0054 -2.0054 -1.6357 -1.6357 -1.6322 -1.6322 -0.4226 -0.4226 -0.4195 -0.4195 1.0142 1.0142 1.0775 1.0775 1.6562 1.6562 1.7965 1.7965 2.0300 2.0300 2.1195 2.1195 2.5192 2.5192 2.6011 2.6011 2.8494 2.8494 3.0703 3.0703 6.1407 6.1407 6.1868 6.1868 7.9120 7.9120 8.0798 8.0798 8.7039 8.7039 k = 0.1788 0.2825 0.1585 ( 7796 PWs) bands (ev): -8.7042 -8.7042 -8.7035 -8.7035 -8.2267 -8.2267 -8.2255 -8.2255 -3.9628 -3.9628 -3.9556 -3.9556 -3.5572 -3.5572 -3.5570 -3.5570 -2.5079 -2.5079 -2.4917 -2.4917 -2.0178 -2.0178 -2.0070 -2.0070 -1.6358 -1.6358 -1.6321 -1.6321 -0.4210 -0.4210 -0.4169 -0.4169 1.0293 1.0293 1.0963 1.0963 1.6962 1.6962 1.8377 1.8377 2.0735 2.0735 2.1765 2.1765 2.5394 2.5394 2.6129 2.6129 2.8664 2.8664 3.0895 3.0895 6.1479 6.1479 6.1945 6.1945 7.9067 7.9067 8.0760 8.0760 8.6824 8.6824 k = 0.1713 0.2708 0.1585 ( 7800 PWs) bands (ev): -8.7163 -8.7163 -8.7155 -8.7155 -8.2299 -8.2299 -8.2286 -8.2286 -3.9665 -3.9665 -3.9596 -3.9596 -3.5585 -3.5585 -3.5584 -3.5584 -2.5104 -2.5104 -2.4946 -2.4946 -2.0194 -2.0194 -2.0085 -2.0085 -1.6360 -1.6360 -1.6322 -1.6322 -0.4198 -0.4198 -0.4145 -0.4145 1.0447 1.0447 1.1153 1.1153 1.7373 1.7373 1.8802 1.8802 2.1143 2.1143 2.2330 2.2330 2.5643 2.5643 2.6283 2.6283 2.8833 2.8833 3.1078 3.1078 6.1535 6.1535 6.2006 6.2006 7.9028 7.9028 8.0717 8.0717 8.6593 8.6593 k = 0.1639 0.2590 0.1585 ( 7796 PWs) bands (ev): -8.7281 -8.7281 -8.7274 -8.7274 -8.2331 -8.2331 -8.2318 -8.2318 -3.9701 -3.9701 -3.9634 -3.9634 -3.5598 -3.5598 -3.5598 -3.5598 -2.5128 -2.5128 -2.4974 -2.4974 -2.0209 -2.0209 -2.0100 -2.0100 -1.6364 -1.6364 -1.6324 -1.6324 -0.4188 -0.4188 -0.4126 -0.4126 1.0605 1.0605 1.1344 1.1344 1.7795 1.7795 1.9239 1.9239 2.1522 2.1522 2.2885 2.2885 2.5928 2.5928 2.6479 2.6479 2.9002 2.9002 3.1251 3.1251 6.1576 6.1576 6.2051 6.2051 7.8998 7.8998 8.0664 8.0664 8.6345 8.6345 k = 0.1564 0.2472 0.1585 ( 7784 PWs) bands (ev): -8.7399 -8.7399 -8.7392 -8.7392 -8.2363 -8.2363 -8.2352 -8.2352 -3.9736 -3.9736 -3.9671 -3.9671 -3.5612 -3.5612 -3.5611 -3.5611 -2.5152 -2.5152 -2.5002 -2.5002 -2.0223 -2.0223 -2.0114 -2.0114 -1.6369 -1.6369 -1.6327 -1.6327 -0.4180 -0.4180 -0.4110 -0.4110 1.0766 1.0766 1.1534 1.1534 1.8228 1.8228 1.9686 1.9686 2.1876 2.1876 2.3424 2.3424 2.6229 2.6229 2.6735 2.6735 2.9175 2.9175 3.1414 3.1414 6.1602 6.1602 6.2079 6.2079 7.8974 7.8974 8.0596 8.0596 8.6081 8.6081 k = 0.1490 0.2355 0.1585 ( 7802 PWs) bands (ev): -8.7514 -8.7514 -8.7507 -8.7507 -8.2397 -8.2397 -8.2385 -8.2385 -3.9770 -3.9770 -3.9707 -3.9707 -3.5626 -3.5626 -3.5625 -3.5625 -2.5174 -2.5174 -2.5029 -2.5029 -2.0235 -2.0235 -2.0127 -2.0127 -1.6375 -1.6375 -1.6332 -1.6332 -0.4174 -0.4174 -0.4098 -0.4098 1.0930 1.0930 1.1723 1.1723 1.8668 1.8668 2.0142 2.0142 2.2207 2.2207 2.3938 2.3938 2.6521 2.6521 2.7066 2.7066 2.9355 2.9355 3.1567 3.1567 6.1611 6.1611 6.2091 6.2091 7.8951 7.8951 8.0505 8.0505 8.5807 8.5807 k = 0.1415 0.2237 0.1585 ( 7798 PWs) bands (ev): -8.7627 -8.7627 -8.7620 -8.7620 -8.2430 -8.2430 -8.2419 -8.2419 -3.9802 -3.9802 -3.9741 -3.9741 -3.5640 -3.5640 -3.5639 -3.5639 -2.5197 -2.5197 -2.5056 -2.5056 -2.0247 -2.0247 -2.0140 -2.0140 -1.6383 -1.6383 -1.6338 -1.6338 -0.4171 -0.4171 -0.4090 -0.4090 1.1097 1.1097 1.1908 1.1908 1.9115 1.9115 2.0606 2.0606 2.2521 2.2521 2.4421 2.4421 2.6799 2.6799 2.7469 2.7469 2.9546 2.9546 3.1710 3.1710 6.1605 6.1605 6.2085 6.2085 7.8920 7.8920 8.0381 8.0381 8.5532 8.5532 k = 0.1341 0.2119 0.1585 ( 7786 PWs) bands (ev): -8.7736 -8.7736 -8.7730 -8.7730 -8.2464 -8.2464 -8.2454 -8.2454 -3.9832 -3.9832 -3.9775 -3.9775 -3.5654 -3.5654 -3.5652 -3.5652 -2.5218 -2.5218 -2.5083 -2.5083 -2.0257 -2.0257 -2.0152 -2.0152 -1.6392 -1.6392 -1.6345 -1.6345 -0.4170 -0.4170 -0.4085 -0.4085 1.1266 1.1266 1.2089 1.2089 1.9566 1.9566 2.1074 2.1074 2.2824 2.2824 2.4865 2.4865 2.7074 2.7074 2.7920 2.7920 2.9752 2.9752 3.1842 3.1842 6.1584 6.1584 6.2063 6.2063 7.8872 7.8872 8.0213 8.0213 8.5268 8.5268 k = 0.1266 0.2001 0.1585 ( 7784 PWs) bands (ev): -8.7843 -8.7843 -8.7837 -8.7837 -8.2498 -8.2498 -8.2488 -8.2488 -3.9861 -3.9861 -3.9806 -3.9806 -3.5668 -3.5668 -3.5666 -3.5666 -2.5238 -2.5238 -2.5109 -2.5109 -2.0266 -2.0266 -2.0163 -2.0163 -1.6401 -1.6401 -1.6353 -1.6353 -0.4171 -0.4171 -0.4084 -0.4084 1.1436 1.1436 1.2265 1.2265 2.0020 2.0020 2.1545 2.1545 2.3120 2.3120 2.5263 2.5263 2.7355 2.7355 2.8401 2.8401 2.9979 2.9979 3.1966 3.1966 6.1548 6.1548 6.2025 6.2025 7.8794 7.8794 7.9989 7.9989 8.5025 8.5025 k = 0.1192 0.1884 0.1585 ( 7790 PWs) bands (ev): -8.7946 -8.7946 -8.7940 -8.7940 -8.2531 -8.2531 -8.2521 -8.2521 -3.9889 -3.9889 -3.9836 -3.9836 -3.5682 -3.5682 -3.5679 -3.5679 -2.5257 -2.5257 -2.5134 -2.5134 -2.0274 -2.0274 -2.0174 -2.0174 -1.6411 -1.6411 -1.6362 -1.6362 -0.4174 -0.4174 -0.4086 -0.4086 1.1607 1.1607 1.2433 1.2433 2.0472 2.0472 2.2016 2.2016 2.3414 2.3414 2.5612 2.5612 2.7643 2.7643 2.8897 2.8897 3.0231 3.0231 3.2081 3.2081 6.1498 6.1498 6.1971 6.1971 7.8672 7.8672 7.9699 7.9699 8.4797 8.4797 k = 0.1117 0.1766 0.1585 ( 7782 PWs) bands (ev): -8.8044 -8.8044 -8.8039 -8.8039 -8.2563 -8.2563 -8.2554 -8.2554 -3.9914 -3.9914 -3.9865 -3.9865 -3.5695 -3.5695 -3.5692 -3.5692 -2.5276 -2.5276 -2.5159 -2.5159 -2.0281 -2.0281 -2.0184 -2.0184 -1.6422 -1.6422 -1.6372 -1.6372 -0.4178 -0.4178 -0.4091 -0.4091 1.1778 1.1778 1.2594 1.2594 2.0920 2.0920 2.2483 2.2483 2.3710 2.3710 2.5909 2.5909 2.7937 2.7937 2.9396 2.9396 3.0508 3.0508 3.2188 3.2188 6.1435 6.1435 6.1901 6.1901 7.8490 7.8490 7.9339 7.9339 8.4548 8.4548 k = 0.1043 0.1648 0.1585 ( 7794 PWs) bands (ev): -8.8138 -8.8138 -8.8133 -8.8133 -8.2595 -8.2595 -8.2586 -8.2586 -3.9939 -3.9939 -3.9892 -3.9892 -3.5707 -3.5707 -3.5705 -3.5705 -2.5293 -2.5293 -2.5183 -2.5183 -2.0287 -2.0287 -2.0194 -2.0194 -1.6432 -1.6432 -1.6383 -1.6383 -0.4184 -0.4184 -0.4099 -0.4099 1.1947 1.1947 1.2746 1.2746 2.1361 2.1361 2.2944 2.2944 2.4008 2.4008 2.6154 2.6154 2.8236 2.8236 2.9890 2.9890 3.0809 3.0809 3.2290 3.2290 6.1359 6.1359 6.1818 6.1818 7.8239 7.8239 7.8913 7.8913 8.4323 8.4323 k = 0.0968 0.1530 0.1585 ( 7790 PWs) bands (ev): -8.8228 -8.8228 -8.8223 -8.8223 -8.2625 -8.2625 -8.2617 -8.2617 -3.9961 -3.9961 -3.9918 -3.9918 -3.5720 -3.5720 -3.5717 -3.5717 -2.5309 -2.5309 -2.5205 -2.5205 -2.0293 -2.0293 -2.0204 -2.0204 -1.6443 -1.6443 -1.6394 -1.6394 -0.4190 -0.4190 -0.4109 -0.4109 1.2113 1.2113 1.2887 1.2887 2.1791 2.1791 2.3394 2.3394 2.4308 2.4308 2.6349 2.6349 2.8536 2.8536 3.0369 3.0369 3.1129 3.1129 3.2391 3.2391 6.1274 6.1274 6.1721 6.1721 7.7912 7.7912 7.8431 7.8431 8.4172 8.4172 k = 0.0894 0.1413 0.1585 ( 7794 PWs) bands (ev): -8.8312 -8.8312 -8.8307 -8.8307 -8.2654 -8.2654 -8.2647 -8.2647 -3.9982 -3.9982 -3.9941 -3.9941 -3.5731 -3.5731 -3.5728 -3.5728 -2.5324 -2.5324 -2.5227 -2.5227 -2.0297 -2.0297 -2.0212 -2.0212 -1.6454 -1.6454 -1.6406 -1.6406 -0.4198 -0.4198 -0.4121 -0.4121 1.2276 1.2276 1.3018 1.3018 2.2208 2.2208 2.3832 2.3832 2.4611 2.4611 2.6498 2.6498 2.8835 2.8835 3.0825 3.0825 3.1459 3.1459 3.2497 3.2497 6.1180 6.1180 6.1614 6.1614 7.7517 7.7517 7.7905 7.7905 8.4105 8.4105 k = 0.0819 0.1295 0.1585 ( 7794 PWs) bands (ev): -8.8390 -8.8390 -8.8386 -8.8386 -8.2682 -8.2682 -8.2675 -8.2675 -4.0001 -4.0001 -3.9964 -3.9964 -3.5742 -3.5742 -3.5739 -3.5739 -2.5337 -2.5337 -2.5248 -2.5248 -2.0300 -2.0300 -2.0221 -2.0221 -1.6464 -1.6464 -1.6417 -1.6417 -0.4207 -0.4207 -0.4134 -0.4134 1.2433 1.2433 1.3138 1.3138 2.2610 2.2610 2.4253 2.4253 2.4913 2.4913 2.6606 2.6606 2.9132 2.9132 3.1243 3.1243 3.1786 3.1786 3.2623 3.2623 6.1079 6.1079 6.1496 6.1496 7.7067 7.7067 7.7352 7.7352 8.4118 8.4118 k = 0.0745 0.1177 0.1585 ( 7810 PWs) bands (ev): -8.8463 -8.8463 -8.8459 -8.8459 -8.2708 -8.2708 -8.2702 -8.2702 -4.0018 -4.0018 -3.9984 -3.9984 -3.5752 -3.5752 -3.5750 -3.5750 -2.5349 -2.5349 -2.5267 -2.5267 -2.0302 -2.0302 -2.0229 -2.0229 -1.6474 -1.6474 -1.6429 -1.6429 -0.4215 -0.4215 -0.4148 -0.4148 1.2585 1.2585 1.3245 1.3245 2.2993 2.2993 2.4656 2.4656 2.5210 2.5210 2.6677 2.6677 2.9424 2.9424 3.1599 3.1599 3.2105 3.2105 3.2787 3.2787 6.0974 6.0974 6.1372 6.1372 7.6580 7.6580 7.6788 7.6788 8.4199 8.4199 k = 0.0670 0.1060 0.1585 ( 7814 PWs) bands (ev): -8.8530 -8.8530 -8.8526 -8.8526 -8.2732 -8.2732 -8.2727 -8.2727 -4.0033 -4.0033 -4.0003 -4.0003 -3.5762 -3.5762 -3.5759 -3.5759 -2.5360 -2.5360 -2.5285 -2.5285 -2.0304 -2.0304 -2.0236 -2.0236 -1.6483 -1.6483 -1.6441 -1.6441 -0.4224 -0.4224 -0.4162 -0.4162 1.2730 1.2730 1.3340 1.3340 2.3358 2.3358 2.5036 2.5036 2.5496 2.5496 2.6717 2.6717 2.9711 2.9711 3.1856 3.1856 3.2424 3.2424 3.3003 3.3003 6.0868 6.0868 6.1243 6.1243 7.6078 7.6078 7.6229 7.6229 8.4335 8.4335 k = 0.0596 0.0942 0.1585 ( 7816 PWs) bands (ev): -8.8590 -8.8590 -8.8587 -8.8587 -8.2754 -8.2754 -8.2749 -8.2749 -4.0047 -4.0047 -4.0020 -4.0020 -3.5770 -3.5770 -3.5768 -3.5768 -2.5369 -2.5369 -2.5302 -2.5302 -2.0305 -2.0305 -2.0244 -2.0244 -1.6491 -1.6491 -1.6452 -1.6452 -0.4232 -0.4232 -0.4177 -0.4177 1.2866 1.2866 1.3421 1.3421 2.3704 2.3704 2.5390 2.5390 2.5763 2.5763 2.6731 2.6731 2.9988 2.9988 3.2006 3.2006 3.2754 3.2754 3.3258 3.3258 6.0764 6.0764 6.1111 6.1111 7.5578 7.5578 7.5689 7.5689 8.4510 8.4510 k = 0.0521 0.0824 0.1585 ( 7808 PWs) bands (ev): -8.8644 -8.8644 -8.8641 -8.8641 -8.2774 -8.2774 -8.2769 -8.2769 -4.0059 -4.0059 -4.0035 -4.0035 -3.5778 -3.5778 -3.5776 -3.5776 -2.5376 -2.5376 -2.5318 -2.5318 -2.0305 -2.0305 -2.0251 -2.0251 -1.6498 -1.6498 -1.6462 -1.6462 -0.4240 -0.4240 -0.4191 -0.4191 1.2994 1.2994 1.3489 1.3489 2.4029 2.4029 2.5716 2.5716 2.6000 2.6000 2.6730 2.6730 3.0254 3.0254 3.2078 3.2078 3.3081 3.3081 3.3524 3.3524 6.0664 6.0664 6.0981 6.0981 7.5099 7.5099 7.5181 7.5181 8.4711 8.4711 k = 0.0447 0.0706 0.1585 ( 7816 PWs) bands (ev): -8.8691 -8.8691 -8.8689 -8.8689 -8.2791 -8.2791 -8.2787 -8.2787 -4.0069 -4.0069 -4.0048 -4.0048 -3.5785 -3.5785 -3.5783 -3.5783 -2.5382 -2.5382 -2.5332 -2.5332 -2.0304 -2.0304 -2.0257 -2.0257 -1.6504 -1.6504 -1.6472 -1.6472 -0.4247 -0.4247 -0.4204 -0.4204 1.3111 1.3111 1.3543 1.3543 2.4335 2.4335 2.6005 2.6005 2.6192 2.6192 2.6730 2.6730 3.0507 3.0507 3.2099 3.2099 3.3391 3.3391 3.3778 3.3778 6.0573 6.0573 6.0855 6.0855 7.4656 7.4656 7.4716 7.4716 8.4926 8.4926 k = 0.0372 0.0589 0.1585 ( 7824 PWs) bands (ev): -8.8731 -8.8731 -8.8729 -8.8729 -8.2806 -8.2806 -8.2803 -8.2803 -4.0077 -4.0077 -4.0060 -4.0060 -3.5790 -3.5790 -3.5789 -3.5789 -2.5387 -2.5387 -2.5345 -2.5345 -2.0303 -2.0303 -2.0263 -2.0263 -1.6508 -1.6508 -1.6482 -1.6482 -0.4252 -0.4252 -0.4217 -0.4217 1.3218 1.3218 1.3582 1.3582 2.4621 2.4621 2.6217 2.6217 2.6342 2.6342 2.6761 2.6761 3.0744 3.0744 3.2085 3.2085 3.3674 3.3674 3.4005 3.4005 6.0493 6.0493 6.0736 6.0736 7.4260 7.4260 7.4304 7.4304 8.5141 8.5141 k = 0.0298 0.0471 0.1585 ( 7830 PWs) bands (ev): -8.8764 -8.8764 -8.8762 -8.8762 -8.2818 -8.2818 -8.2816 -8.2816 -4.0084 -4.0084 -4.0070 -4.0070 -3.5795 -3.5795 -3.5794 -3.5794 -2.5390 -2.5390 -2.5356 -2.5356 -2.0301 -2.0301 -2.0269 -2.0269 -1.6512 -1.6512 -1.6490 -1.6490 -0.4257 -0.4257 -0.4228 -0.4228 1.3314 1.3314 1.3608 1.3608 2.4888 2.4888 2.6251 2.6251 2.6532 2.6532 2.6835 2.6835 3.0964 3.0964 3.2043 3.2043 3.3922 3.3922 3.4194 3.4194 6.0428 6.0428 6.0628 6.0628 7.3922 7.3922 7.3954 7.3954 8.5346 8.5346 k = 0.0223 0.0353 0.1585 ( 7826 PWs) bands (ev): -8.8789 -8.8789 -8.8788 -8.8788 -8.2828 -8.2828 -8.2826 -8.2826 -4.0088 -4.0088 -4.0078 -4.0078 -3.5799 -3.5799 -3.5798 -3.5798 -2.5391 -2.5391 -2.5366 -2.5366 -2.0299 -2.0299 -2.0275 -2.0275 -1.6514 -1.6514 -1.6497 -1.6497 -0.4259 -0.4259 -0.4238 -0.4238 1.3397 1.3397 1.3620 1.3620 2.5136 2.5136 2.6185 2.6185 2.6712 2.6712 2.6921 2.6921 3.1167 3.1167 3.1979 3.1979 3.4129 3.4129 3.4338 3.4338 6.0380 6.0380 6.0534 6.0534 7.3651 7.3651 7.3674 7.3674 8.5531 8.5531 k = 0.0149 0.0235 0.1585 ( 7814 PWs) bands (ev): -8.8808 -8.8808 -8.8807 -8.8807 -8.2834 -8.2834 -8.2833 -8.2833 -4.0091 -4.0091 -4.0084 -4.0084 -3.5801 -3.5801 -3.5800 -3.5800 -2.5391 -2.5391 -2.5374 -2.5374 -2.0296 -2.0296 -2.0280 -2.0280 -1.6514 -1.6514 -1.6503 -1.6503 -0.4260 -0.4260 -0.4246 -0.4246 1.3468 1.3468 1.3617 1.3617 2.5364 2.5364 2.6072 2.6072 2.6854 2.6854 2.6987 2.6987 3.1350 3.1350 3.1893 3.1893 3.4292 3.4292 3.4434 3.4434 6.0353 6.0353 6.0457 6.0457 7.3454 7.3454 7.3468 7.3468 8.5687 8.5687 k = 0.0074 0.0118 0.1585 ( 7826 PWs) bands (ev): -8.8819 -8.8819 -8.8818 -8.8818 -8.2838 -8.2838 -8.2838 -8.2838 -4.0092 -4.0092 -4.0089 -4.0089 -3.5803 -3.5803 -3.5802 -3.5802 -2.5389 -2.5389 -2.5381 -2.5381 -2.0293 -2.0293 -2.0284 -2.0284 -1.6514 -1.6514 -1.6508 -1.6508 -0.4260 -0.4260 -0.4253 -0.4253 1.3525 1.3525 1.3600 1.3600 2.5573 2.5573 2.5929 2.5929 2.6953 2.6953 2.7018 2.7018 3.1515 3.1515 3.1786 3.1786 3.4406 3.4406 3.4478 3.4478 6.0346 6.0346 6.0398 6.0398 7.3335 7.3335 7.3342 7.3342 8.5805 8.5805 k = 0.0000 0.0000 0.1585 ( 7814 PWs) bands (ev): -8.8822 -8.8822 -8.8822 -8.8822 -8.2839 -8.2839 -8.2839 -8.2839 -4.0091 -4.0091 -4.0091 -4.0091 -3.5803 -3.5803 -3.5803 -3.5803 -2.5386 -2.5386 -2.5386 -2.5386 -2.0289 -2.0289 -2.0289 -2.0289 -1.6511 -1.6511 -1.6511 -1.6511 -0.4257 -0.4257 -0.4257 -0.4257 1.3570 1.3570 1.3570 1.3570 2.5762 2.5762 2.5762 2.5762 2.7007 2.7007 2.7007 2.7007 3.1660 3.1660 3.1660 3.1660 3.4468 3.4468 3.4468 3.4468 6.0361 6.0361 6.0361 6.0361 7.3298 7.3298 7.3298 7.3298 8.5882 8.5882 k = 0.0000 0.0000 0.1585 ( 7814 PWs) bands (ev): -8.8822 -8.8822 -8.8822 -8.8822 -8.2839 -8.2839 -8.2839 -8.2839 -4.0091 -4.0091 -4.0091 -4.0091 -3.5803 -3.5803 -3.5803 -3.5803 -2.5386 -2.5386 -2.5386 -2.5386 -2.0289 -2.0289 -2.0289 -2.0289 -1.6511 -1.6511 -1.6511 -1.6511 -0.4257 -0.4257 -0.4257 -0.4257 1.3570 1.3570 1.3570 1.3570 2.5762 2.5762 2.5762 2.5762 2.7007 2.7007 2.7007 2.7007 3.1660 3.1660 3.1660 3.1660 3.4468 3.4468 3.4468 3.4468 6.0361 6.0361 6.0361 6.0361 7.3298 7.3298 7.3298 7.3298 8.5882 8.5882 k = 0.0000 0.0000 0.1453 ( 7814 PWs) bands (ev): -8.8931 -8.8931 -8.8708 -8.8708 -8.2995 -8.2995 -8.2689 -8.2689 -4.0122 -4.0122 -4.0061 -4.0061 -3.5804 -3.5804 -3.5802 -3.5802 -2.5454 -2.5454 -2.5317 -2.5317 -2.0295 -2.0295 -2.0282 -2.0282 -1.6514 -1.6514 -1.6509 -1.6509 -0.4498 -0.4498 -0.4002 -0.4002 1.3119 1.3119 1.4000 1.4000 2.5549 2.5549 2.5977 2.5977 2.6904 2.6904 2.7121 2.7121 3.1593 3.1593 3.1744 3.1744 3.4413 3.4413 3.4514 3.4514 5.9669 5.9669 6.1050 6.1050 7.3187 7.3187 7.3404 7.3404 8.5869 8.5869 k = 0.0000 0.0000 0.1321 ( 7806 PWs) bands (ev): -8.9033 -8.9033 -8.8590 -8.8590 -8.3154 -8.3154 -8.2546 -8.2546 -4.0152 -4.0152 -4.0032 -4.0032 -3.5805 -3.5805 -3.5801 -3.5801 -2.5522 -2.5522 -2.5251 -2.5251 -2.0301 -2.0301 -2.0276 -2.0276 -1.6516 -1.6516 -1.6506 -1.6506 -0.4721 -0.4721 -0.3735 -0.3735 1.2655 1.2655 1.4403 1.4403 2.5347 2.5347 2.6185 2.6185 2.6808 2.6808 2.7246 2.7246 3.1541 3.1541 3.1844 3.1844 3.4351 3.4351 3.4549 3.4549 5.8983 5.8983 6.1727 6.1727 7.3076 7.3076 7.3505 7.3505 8.5855 8.5855 k = 0.0000 0.0000 0.1189 ( 7806 PWs) bands (ev): -8.9128 -8.9128 -8.8469 -8.8469 -8.3314 -8.3314 -8.2412 -8.2412 -4.0181 -4.0181 -4.0005 -4.0005 -3.5806 -3.5806 -3.5800 -3.5800 -2.5587 -2.5587 -2.5186 -2.5186 -2.0307 -2.0307 -2.0270 -2.0270 -1.6518 -1.6518 -1.6504 -1.6504 -0.4927 -0.4927 -0.3460 -0.3460 1.2185 1.2185 1.4776 1.4776 2.5159 2.5159 2.6375 2.6375 2.6720 2.6720 2.7384 2.7384 3.1504 3.1504 3.1962 3.1962 3.4285 3.4285 3.4570 3.4570 5.8315 5.8315 6.2381 6.2381 7.2967 7.2967 7.3599 7.3599 8.5841 8.5841 k = 0.0000 0.0000 0.1057 ( 7807 PWs) bands (ev): -8.9215 -8.9215 -8.8348 -8.8348 -8.3472 -8.3472 -8.2287 -8.2287 -4.0209 -4.0209 -3.9979 -3.9979 -3.5807 -3.5807 -3.5799 -3.5799 -2.5649 -2.5649 -2.5125 -2.5125 -2.0312 -2.0312 -2.0263 -2.0263 -1.6521 -1.6521 -1.6502 -1.6502 -0.5112 -0.5112 -0.3181 -0.3181 1.1719 1.1719 1.5115 1.5115 2.4989 2.4989 2.6530 2.6530 2.6650 2.6650 2.7536 2.7536 3.1483 3.1483 3.2098 3.2098 3.4214 3.4214 3.4577 3.4577 5.7673 5.7673 6.3004 6.3004 7.2861 7.2861 7.3682 7.3682 8.5827 8.5827 k = 0.0000 0.0000 0.0925 ( 7827 PWs) bands (ev): -8.9292 -8.9292 -8.8228 -8.8228 -8.3626 -8.3626 -8.2175 -8.2175 -4.0236 -4.0236 -3.9955 -3.9955 -3.5807 -3.5807 -3.5799 -3.5799 -2.5707 -2.5707 -2.5069 -2.5069 -2.0317 -2.0317 -2.0258 -2.0258 -1.6522 -1.6522 -1.6500 -1.6500 -0.5277 -0.5277 -0.2904 -0.2904 1.1265 1.1265 1.5417 1.5417 2.4840 2.4840 2.6538 2.6538 2.6705 2.6705 2.7695 2.7695 3.1474 3.1474 3.2252 3.2252 3.4143 3.4143 3.4567 3.4567 5.7070 5.7070 6.3586 6.3586 7.2761 7.2761 7.3754 7.3754 8.5815 8.5815 k = 0.0000 0.0000 0.0792 ( 7835 PWs) bands (ev): -8.9361 -8.9361 -8.8112 -8.8112 -8.3772 -8.3772 -8.2074 -8.2074 -4.0260 -4.0260 -3.9933 -3.9933 -3.5808 -3.5808 -3.5798 -3.5798 -2.5759 -2.5759 -2.5019 -2.5019 -2.0321 -2.0321 -2.0252 -2.0252 -1.6524 -1.6524 -1.6498 -1.6498 -0.5421 -0.5421 -0.2636 -0.2636 1.0835 1.0835 1.5680 1.5680 2.4712 2.4712 2.6475 2.6475 2.6811 2.6811 2.7853 2.7853 3.1477 3.1477 3.2424 3.2424 3.4073 3.4073 3.4538 3.4538 5.6517 5.6517 6.4117 6.4117 7.2669 7.2669 7.3814 7.3814 8.5803 8.5803 k = 0.0000 0.0000 0.0660 ( 7827 PWs) bands (ev): -8.9419 -8.9419 -8.8005 -8.8005 -8.3906 -8.3906 -8.1988 -8.1988 -4.0281 -4.0281 -3.9915 -3.9915 -3.5809 -3.5809 -3.5797 -3.5797 -2.5805 -2.5805 -2.4975 -2.4975 -2.0325 -2.0325 -2.0248 -2.0248 -1.6526 -1.6526 -1.6496 -1.6496 -0.5543 -0.5543 -0.2385 -0.2385 1.0440 1.0440 1.5902 1.5902 2.4605 2.4605 2.6414 2.6414 2.6899 2.6899 2.8001 2.8001 3.1488 3.1488 3.2611 3.2611 3.4004 3.4004 3.4491 3.4491 5.6024 5.6024 6.4589 6.4589 7.2587 7.2587 7.3862 7.3862 8.5793 8.5793 k = 0.0000 0.0000 0.0528 ( 7823 PWs) bands (ev): -8.9467 -8.9467 -8.7908 -8.7908 -8.4025 -8.4025 -8.1916 -8.1916 -4.0299 -4.0299 -3.9899 -3.9899 -3.5809 -3.5809 -3.5797 -3.5797 -2.5843 -2.5843 -2.4937 -2.4937 -2.0328 -2.0328 -2.0244 -2.0244 -1.6527 -1.6527 -1.6495 -1.6495 -0.5644 -0.5644 -0.2160 -0.2160 1.0093 1.0093 1.6085 1.6085 2.4520 2.4520 2.6362 2.6362 2.6967 2.6967 2.8129 2.8129 3.1505 3.1505 3.2809 3.2809 3.3938 3.3938 3.4426 3.4426 5.5602 5.5602 6.4991 6.4991 7.2516 7.2516 7.3899 7.3899 8.5784 8.5784 k = 0.0000 0.0000 0.0396 ( 7827 PWs) bands (ev): -8.9505 -8.9505 -8.7827 -8.7827 -8.4124 -8.4124 -8.1859 -8.1859 -4.0314 -4.0314 -3.9887 -3.9887 -3.5810 -3.5810 -3.5796 -3.5796 -2.5874 -2.5874 -2.4908 -2.4908 -2.0330 -2.0330 -2.0240 -2.0240 -1.6528 -1.6528 -1.6494 -1.6494 -0.5722 -0.5722 -0.1971 -0.1971 0.9806 0.9806 1.6226 1.6226 2.4454 2.4454 2.6320 2.6320 2.7017 2.7017 2.8232 2.8232 3.1524 3.1524 3.3011 3.3011 3.3873 3.3873 3.4348 3.4348 5.5262 5.5262 6.5315 6.5315 7.2459 7.2459 7.3925 7.3925 8.5778 8.5778 k = 0.0000 0.0000 0.0264 ( 7835 PWs) bands (ev): -8.9533 -8.9533 -8.7766 -8.7766 -8.4199 -8.4199 -8.1818 -8.1818 -4.0324 -4.0324 -3.9878 -3.9878 -3.5810 -3.5810 -3.5796 -3.5796 -2.5897 -2.5897 -2.4887 -2.4887 -2.0332 -2.0332 -2.0238 -2.0238 -1.6529 -1.6529 -1.6493 -1.6493 -0.5777 -0.5777 -0.1828 -0.1828 0.9590 0.9590 1.6327 1.6327 2.4408 2.4408 2.6289 2.6289 2.7052 2.7052 2.8306 2.8306 3.1540 3.1540 3.3208 3.3208 3.3805 3.3805 3.4267 3.4267 5.5012 5.5012 6.5553 6.5553 7.2417 7.2417 7.3942 7.3942 8.5773 8.5773 k = 0.0000 0.0000 0.0132 ( 7841 PWs) bands (ev): -8.9549 -8.9549 -8.7727 -8.7727 -8.4246 -8.4246 -8.1794 -8.1794 -4.0331 -4.0331 -3.9873 -3.9873 -3.5810 -3.5810 -3.5796 -3.5796 -2.5910 -2.5910 -2.4874 -2.4874 -2.0333 -2.0333 -2.0236 -2.0236 -1.6529 -1.6529 -1.6492 -1.6492 -0.5811 -0.5811 -0.1738 -0.1738 0.9457 0.9457 1.6388 1.6388 2.4381 2.4381 2.6270 2.6270 2.7073 2.7073 2.8351 2.8351 3.1551 3.1551 3.3382 3.3382 3.3726 3.3726 3.4202 3.4202 5.4858 5.4858 6.5699 6.5699 7.2391 7.2391 7.3952 7.3952 8.5770 8.5770 k = 0.0000 0.0000 0.0000 ( 7833 PWs) bands (ev): -8.9554 -8.9554 -8.7714 -8.7714 -8.4261 -8.4261 -8.1785 -8.1785 -4.0333 -4.0333 -3.9871 -3.9871 -3.5810 -3.5810 -3.5796 -3.5796 -2.5915 -2.5915 -2.4869 -2.4869 -2.0333 -2.0333 -2.0236 -2.0236 -1.6529 -1.6529 -1.6492 -1.6492 -0.5822 -0.5822 -0.1707 -0.1707 0.9411 0.9411 1.6408 1.6408 2.4372 2.4372 2.6263 2.6263 2.7080 2.7080 2.8366 2.8366 3.1555 3.1555 3.3475 3.3475 3.3668 3.3668 3.4177 3.4177 5.4807 5.4807 6.5748 6.5748 7.2383 7.2383 7.3955 7.3955 8.5769 8.5769 k = 0.0000 0.0000 0.0000 ( 7833 PWs) bands (ev): -8.9554 -8.9554 -8.7714 -8.7714 -8.4261 -8.4261 -8.1785 -8.1785 -4.0333 -4.0333 -3.9871 -3.9871 -3.5810 -3.5810 -3.5796 -3.5796 -2.5915 -2.5915 -2.4869 -2.4869 -2.0333 -2.0333 -2.0236 -2.0236 -1.6529 -1.6529 -1.6492 -1.6492 -0.5822 -0.5822 -0.1707 -0.1707 0.9411 0.9411 1.6408 1.6408 2.4372 2.4372 2.6263 2.6263 2.7080 2.7080 2.8366 2.8366 3.1555 3.1555 3.3475 3.3475 3.3668 3.3668 3.4177 3.4177 5.4807 5.4807 6.5748 6.5748 7.2383 7.2383 7.3955 7.3955 8.5769 8.5769 k =-0.0116 0.0074 0.0000 ( 7833 PWs) bands (ev): -8.9549 -8.9549 -8.7709 -8.7709 -8.4260 -8.4259 -8.1785 -8.1785 -4.0332 -4.0330 -3.9869 -3.9868 -3.5810 -3.5810 -3.5795 -3.5795 -2.5914 -2.5910 -2.4869 -2.4866 -2.0332 -2.0331 -2.0235 -2.0234 -1.6530 -1.6530 -1.6493 -1.6492 -0.5821 -0.5820 -0.1720 -0.1718 0.9411 0.9419 1.6364 1.6418 2.4304 2.4404 2.6228 2.6245 2.7051 2.7064 2.8331 2.8368 3.1512 3.1556 3.3423 3.3505 3.3571 3.3741 3.4141 3.4167 5.4849 5.4851 6.5724 6.5737 7.2419 7.2445 7.3986 7.4008 8.5718 8.5802 k =-0.0233 0.0147 0.0000 ( 7835 PWs) bands (ev): -8.9532 -8.9532 -8.7695 -8.7694 -8.4254 -8.4254 -8.1785 -8.1785 -4.0326 -4.0322 -3.9863 -3.9860 -3.5808 -3.5808 -3.5794 -3.5794 -2.5908 -2.5901 -2.4865 -2.4858 -2.0328 -2.0327 -2.0231 -2.0230 -1.6532 -1.6531 -1.6495 -1.6494 -0.5817 -0.5816 -0.1757 -0.1755 0.9416 0.9434 1.6287 1.6395 2.4198 2.4403 2.6138 2.6177 2.6979 2.7002 2.8266 2.8340 3.1426 3.1520 3.3343 3.3443 3.3515 3.3798 3.4059 3.4114 5.4977 5.4979 6.5667 6.5693 7.2553 7.2604 7.4102 7.4143 8.5711 8.5818 k =-0.0349 0.0221 0.0000 ( 7821 PWs) bands (ev): -8.9504 -8.9504 -8.7670 -8.7670 -8.4245 -8.4245 -8.1785 -8.1785 -4.0317 -4.0311 -3.9852 -3.9847 -3.5806 -3.5806 -3.5791 -3.5791 -2.5897 -2.5886 -2.4857 -2.4847 -2.0321 -2.0320 -2.0224 -2.0223 -1.6536 -1.6534 -1.6499 -1.6497 -0.5810 -0.5808 -0.1818 -0.1815 0.9428 0.9455 1.6178 1.6340 2.4050 2.4368 2.5995 2.6070 2.6861 2.6891 2.8170 2.8284 3.1301 3.1456 3.3228 3.3277 3.3505 3.3842 3.3929 3.4023 5.5188 5.5190 6.5577 6.5616 7.2783 7.2851 7.4302 7.4355 8.5758 8.5880 k =-0.0465 0.0294 0.0000 ( 7805 PWs) bands (ev): -8.9464 -8.9464 -8.7637 -8.7637 -8.4233 -8.4232 -8.1785 -8.1784 -4.0303 -4.0295 -3.9836 -3.9829 -3.5803 -3.5802 -3.5788 -3.5788 -2.5881 -2.5866 -2.4846 -2.4832 -2.0312 -2.0310 -2.0215 -2.0213 -1.6540 -1.6538 -1.6504 -1.6502 -0.5799 -0.5798 -0.1902 -0.1898 0.9443 0.9481 1.6036 1.6252 2.3856 2.4298 2.5805 2.5931 2.6696 2.6731 2.8044 2.8202 3.1143 3.1373 3.3070 3.3073 3.3467 3.3753 3.3880 3.3907 5.5475 5.5476 6.5456 6.5508 7.3102 7.3181 7.4580 7.4637 8.5861 8.6001 k =-0.0581 0.0368 0.0000 ( 7811 PWs) bands (ev): -8.9414 -8.9414 -8.7594 -8.7594 -8.4216 -8.4216 -8.1784 -8.1784 -4.0285 -4.0275 -3.9815 -3.9807 -3.5798 -3.5798 -3.5784 -3.5783 -2.5861 -2.5842 -2.4831 -2.4814 -2.0300 -2.0297 -2.0202 -2.0200 -1.6546 -1.6542 -1.6511 -1.6507 -0.5787 -0.5785 -0.2009 -0.2005 0.9460 0.9508 1.5864 1.6133 2.3618 2.4188 2.5577 2.5767 2.6483 2.6523 2.7891 2.8100 3.0959 3.1280 3.2821 3.2873 3.3375 3.3536 3.3793 3.3912 5.5831 5.5834 6.5304 6.5370 7.3502 7.3581 7.4930 7.4978 8.6020 8.6181 k =-0.0698 0.0441 0.0000 ( 7807 PWs) bands (ev): -8.9353 -8.9353 -8.7542 -8.7542 -8.4197 -8.4196 -8.1784 -8.1783 -4.0263 -4.0251 -3.9789 -3.9780 -3.5793 -3.5792 -3.5778 -3.5778 -2.5836 -2.5813 -2.4812 -2.4792 -2.0285 -2.0282 -2.0187 -2.0185 -1.6552 -1.6548 -1.6518 -1.6514 -0.5771 -0.5769 -0.2138 -0.2133 0.9475 0.9536 1.5663 1.5985 2.3337 2.4032 2.5324 2.5585 2.6219 2.6272 2.7711 2.7983 3.0758 3.1182 3.2529 3.2624 3.3202 3.3282 3.3713 3.3942 5.6247 5.6254 6.5122 6.5202 7.3975 7.4041 7.5344 7.5368 8.6232 8.6418 k =-0.0814 0.0515 0.0000 ( 7817 PWs) bands (ev): -8.9282 -8.9281 -8.7482 -8.7481 -8.4174 -8.4173 -8.1783 -8.1783 -4.0236 -4.0223 -3.9760 -3.9749 -3.5787 -3.5786 -3.5772 -3.5772 -2.5807 -2.5781 -2.4790 -2.4767 -2.0268 -2.0265 -2.0170 -2.0167 -1.6559 -1.6555 -1.6527 -1.6522 -0.5752 -0.5750 -0.2287 -0.2281 0.9485 0.9559 1.5435 1.5808 2.3018 2.3823 2.5057 2.5384 2.5907 2.5985 2.7506 2.7854 3.0546 3.1083 3.2200 3.2324 3.2952 3.2998 3.3668 3.3968 5.6711 5.6726 6.4911 6.5005 7.4511 7.4549 7.5794 7.5813 8.6495 8.6707 k =-0.0930 0.0589 0.0000 ( 7815 PWs) bands (ev): -8.9199 -8.9199 -8.7412 -8.7412 -8.4148 -8.4147 -8.1783 -8.1782 -4.0206 -4.0191 -3.9725 -3.9714 -3.5780 -3.5779 -3.5765 -3.5765 -2.5774 -2.5744 -2.4765 -2.4739 -2.0248 -2.0245 -2.0150 -2.0147 -1.6567 -1.6562 -1.6536 -1.6530 -0.5731 -0.5729 -0.2454 -0.2449 0.9486 0.9574 1.5184 1.5605 2.2671 2.3557 2.4783 2.5163 2.5550 2.5670 2.7279 2.7718 3.0329 3.0983 3.1839 3.1975 3.2647 3.2691 3.3640 3.3993 5.7214 5.7239 6.4671 6.4780 7.5088 7.5099 7.6243 7.6326 8.6807 8.7045 k =-0.1047 0.0662 0.0000 ( 7827 PWs) bands (ev): -8.9108 -8.9107 -8.7335 -8.7334 -8.4118 -8.4118 -8.1782 -8.1782 -4.0172 -4.0156 -3.9687 -3.9674 -3.5772 -3.5772 -3.5758 -3.5758 -2.5737 -2.5704 -2.4737 -2.4707 -2.0226 -2.0222 -2.0128 -2.0125 -1.6576 -1.6570 -1.6546 -1.6539 -0.5707 -0.5706 -0.2639 -0.2635 0.9473 0.9575 1.4912 1.5378 2.2304 2.3237 2.4503 2.4906 2.5166 2.5336 2.7034 2.7578 3.0109 3.0878 3.1452 3.1581 3.2306 3.2365 3.3619 3.4016 5.7742 5.7779 6.4401 6.4526 7.5644 7.5726 7.6702 7.6874 8.7163 8.7421 k =-0.1163 0.0736 0.0000 ( 7823 PWs) bands (ev): -8.9006 -8.9005 -8.7249 -8.7248 -8.4086 -8.4085 -8.1782 -8.1782 -4.0134 -4.0116 -3.9645 -3.9630 -3.5764 -3.5763 -3.5750 -3.5749 -2.5697 -2.5660 -2.4706 -2.4674 -2.0202 -2.0198 -2.0104 -2.0101 -1.6585 -1.6578 -1.6556 -1.6549 -0.5681 -0.5680 -0.2840 -0.2836 0.9440 0.9557 1.4625 1.5130 2.1929 2.2876 2.4204 2.4566 2.4805 2.4991 2.6777 2.7435 2.9888 3.0749 3.1058 3.1151 3.1943 3.2025 3.3601 3.4037 5.8281 5.8334 6.4102 6.4244 7.6195 7.6378 7.7159 7.7453 8.7558 8.7828 k =-0.1279 0.0809 0.0000 ( 7827 PWs) bands (ev): -8.8894 -8.8894 -8.7156 -8.7155 -8.4050 -8.4049 -8.1782 -8.1781 -4.0093 -4.0073 -3.9599 -3.9583 -3.5755 -3.5754 -3.5741 -3.5741 -2.5654 -2.5614 -2.4673 -2.4638 -2.0176 -2.0172 -2.0079 -2.0075 -1.6595 -1.6587 -1.6567 -1.6559 -0.5653 -0.5652 -0.3054 -0.3051 0.9384 0.9514 1.4327 1.4862 2.1556 2.2487 2.3876 2.4115 2.4499 2.4642 2.6517 2.7290 2.9663 3.0498 3.0698 3.0746 3.1582 3.1673 3.3584 3.4055 5.8818 5.8891 6.3776 6.3936 7.6719 7.7028 7.7614 7.8056 8.7987 8.8254 k =-0.1395 0.0883 0.0000 ( 7817 PWs) bands (ev): -8.8774 -8.8774 -8.7056 -8.7055 -8.4012 -8.4011 -8.1782 -8.1781 -4.0048 -4.0027 -3.9550 -3.9533 -3.5746 -3.5745 -3.5732 -3.5731 -2.5609 -2.5566 -2.4639 -2.4600 -2.0148 -2.0144 -2.0051 -2.0047 -1.6605 -1.6595 -1.6579 -1.6569 -0.5623 -0.5623 -0.3279 -0.3278 0.9297 0.9439 1.4021 1.4578 2.1195 2.2086 2.3510 2.3604 2.4204 2.4291 2.6261 2.7140 2.9426 3.0088 3.0242 3.0524 3.1260 3.1312 3.3567 3.4071 5.9335 5.9434 6.3423 6.3605 7.7196 7.7623 7.8097 7.8679 8.8440 8.8685 k =-0.1512 0.0956 0.0000 ( 7807 PWs) bands (ev): -8.8645 -8.8645 -8.6950 -8.6949 -8.3970 -8.3969 -8.1782 -8.1782 -4.0000 -3.9977 -3.9497 -3.9479 -3.5736 -3.5735 -3.5722 -3.5722 -2.5563 -2.5516 -2.4602 -2.4561 -2.0118 -2.0114 -2.0022 -2.0018 -1.6614 -1.6604 -1.6590 -1.6579 -0.5593 -0.5591 -0.3514 -0.3514 0.9178 0.9327 1.3711 1.4280 2.0852 2.1684 2.3057 2.3108 2.3901 2.3934 2.6014 2.6979 2.9153 2.9638 2.9818 3.0239 3.0946 3.1026 3.3550 3.4085 5.9817 5.9949 6.3047 6.3255 7.7610 7.8080 7.8669 7.9317 8.8908 8.9110 k =-0.1628 0.1030 0.0000 ( 7789 PWs) bands (ev): -8.8509 -8.8508 -8.6837 -8.6836 -8.3927 -8.3925 -8.1783 -8.1782 -3.9949 -3.9925 -3.9442 -3.9423 -3.5725 -3.5725 -3.5712 -3.5711 -2.5515 -2.5465 -2.4565 -2.4520 -2.0088 -2.0083 -1.9992 -1.9987 -1.6624 -1.6612 -1.6601 -1.6589 -0.5562 -0.5558 -0.3758 -0.3756 0.9022 0.9175 1.3398 1.3968 2.0533 2.1288 2.2489 2.2676 2.3567 2.3589 2.5781 2.6802 2.8812 2.9178 2.9471 2.9868 3.0578 3.0880 3.3531 3.4095 6.0242 6.0421 6.2651 6.2897 7.7955 7.8413 7.9299 7.9960 8.9378 8.9523 k =-0.1744 0.1103 0.0000 ( 7789 PWs) bands (ev): -8.8364 -8.8364 -8.6719 -8.6718 -8.3880 -8.3879 -8.1784 -8.1783 -3.9894 -3.9869 -3.9384 -3.9364 -3.5715 -3.5714 -3.5702 -3.5701 -2.5466 -2.5413 -2.4527 -2.4480 -2.0056 -2.0052 -1.9961 -1.9956 -1.6633 -1.6621 -1.6611 -1.6598 -0.5531 -0.5526 -0.4007 -0.4002 0.8829 0.8982 1.3084 1.3643 2.0238 2.0903 2.1910 2.2223 2.3190 2.3269 2.5561 2.6594 2.8407 2.8717 2.9214 2.9447 3.0212 3.0785 3.3511 3.4103 6.0583 6.0831 6.2244 6.2547 7.8231 7.8668 7.9928 8.0595 8.9832 8.9918 k =-0.1860 0.1177 0.0000 ( 7777 PWs) bands (ev): -8.8213 -8.8212 -8.6596 -8.6595 -8.3832 -8.3831 -8.1785 -8.1784 -3.9837 -3.9811 -3.9324 -3.9303 -3.5704 -3.5703 -3.5691 -3.5691 -2.5417 -2.5360 -2.4490 -2.4439 -2.0023 -2.0019 -1.9929 -1.9924 -1.6642 -1.6628 -1.6621 -1.6607 -0.5501 -0.5493 -0.4258 -0.4250 0.8602 0.8750 1.2764 1.3304 1.9958 2.0527 2.1338 2.1761 2.2808 2.2944 2.5353 2.6342 2.7988 2.8263 2.9004 2.9014 2.9852 3.0717 3.3490 3.4107 6.0789 6.1138 6.1857 6.2246 7.8447 7.8870 8.0527 8.1208 9.0249 9.0296 k =-0.1977 0.1251 0.0000 ( 7777 PWs) bands (ev): -8.8055 -8.8055 -8.6469 -8.6467 -8.3781 -8.3780 -8.1787 -8.1786 -3.9778 -3.9750 -3.9263 -3.9240 -3.5693 -3.5693 -3.5681 -3.5680 -2.5368 -2.5308 -2.4453 -2.4399 -1.9990 -1.9986 -1.9896 -1.9892 -1.6649 -1.6636 -1.6629 -1.6615 -0.5475 -0.5462 -0.4508 -0.4496 0.8342 0.8484 1.2434 1.2951 1.9664 2.0150 2.0805 2.1301 2.2433 2.2620 2.5150 2.6029 2.7597 2.7821 2.8553 2.8846 2.9503 3.0663 3.3467 3.4107 6.0789 6.1144 6.1682 6.2060 7.8615 7.9035 8.1076 8.1786 9.0610 9.0657 k =-0.2093 0.1324 0.0000 ( 7779 PWs) bands (ev): -8.7892 -8.7891 -8.6338 -8.6337 -8.3728 -8.3727 -8.1789 -8.1788 -3.9716 -3.9687 -3.9200 -3.9177 -3.5683 -3.5682 -3.5670 -3.5669 -2.5319 -2.5256 -2.4418 -2.4361 -1.9957 -1.9953 -1.9864 -1.9859 -1.6656 -1.6642 -1.6637 -1.6623 -0.5454 -0.5434 -0.4755 -0.4735 0.8056 0.8189 1.2090 1.2583 1.9302 1.9755 2.0366 2.0860 2.2080 2.2303 2.4946 2.5650 2.7249 2.7398 2.8100 2.8698 2.9174 3.0620 3.3441 3.4104 6.0566 6.0777 6.1785 6.2002 7.8750 7.9176 8.1562 8.2319 9.0898 9.0998 k =-0.2209 0.1398 0.0000 ( 7781 PWs) bands (ev): -8.7724 -8.7723 -8.6205 -8.6204 -8.3674 -8.3673 -8.1792 -8.1791 -3.9652 -3.9622 -3.9136 -3.9112 -3.5672 -3.5671 -3.5659 -3.5659 -2.5272 -2.5206 -2.4385 -2.4324 -1.9924 -1.9919 -1.9832 -1.9827 -1.6661 -1.6648 -1.6642 -1.6629 -0.5446 -0.5412 -0.4994 -0.4960 0.7750 0.7876 1.1728 1.2200 1.8827 1.9322 2.0060 2.0447 2.1766 2.2003 2.4734 2.5215 2.6939 2.7001 2.7651 2.8560 2.8874 3.0584 3.3414 3.4097 6.0207 6.0330 6.1872 6.1987 7.8865 7.9305 8.1978 8.2794 9.1110 9.1312 k =-0.2326 0.1471 0.0000 ( 7789 PWs) bands (ev): -8.7551 -8.7550 -8.6070 -8.6068 -8.3618 -8.3616 -8.1796 -8.1795 -3.9587 -3.9555 -3.9072 -3.9046 -3.5661 -3.5660 -3.5649 -3.5648 -2.5227 -2.5156 -2.4355 -2.4290 -1.9891 -1.9886 -1.9800 -1.9795 -1.6665 -1.6654 -1.6646 -1.6634 -0.5474 -0.5411 -0.5208 -0.5145 0.7432 0.7553 1.1344 1.1803 1.8263 1.8842 1.9853 2.0059 2.1509 2.1732 2.4507 2.4742 2.6637 2.6650 2.7210 2.8409 2.8629 3.0554 3.3385 3.4086 5.9785 5.9868 6.1884 6.1942 7.8969 7.9430 8.2317 8.3205 9.1251 9.1589 k =-0.2442 0.1545 0.0000 ( 7785 PWs) bands (ev): -8.7375 -8.7374 -8.5934 -8.5932 -8.3560 -8.3559 -8.1800 -8.1799 -3.9520 -3.9487 -3.9008 -3.8981 -3.5650 -3.5649 -3.5639 -3.5638 -2.5183 -2.5109 -2.4328 -2.4260 -1.9858 -1.9853 -1.9768 -1.9764 -1.6668 -1.6658 -1.6649 -1.6638 -0.5582 -0.5515 -0.5313 -0.5245 0.7108 0.7227 1.0939 1.1394 1.7654 1.8322 1.9682 1.9683 2.1324 2.1505 2.4251 2.4258 2.6308 2.6365 2.6781 2.8216 2.8474 3.0530 3.3354 3.4071 5.9335 5.9401 6.1814 6.1839 7.9068 7.9553 8.2580 8.3547 9.1330 9.1811 k =-0.2558 0.1618 0.0000 ( 7771 PWs) bands (ev): -8.7196 -8.7195 -8.5797 -8.5795 -8.3501 -8.3500 -8.1805 -8.1804 -3.9452 -3.9418 -3.8945 -3.8916 -3.5640 -3.5639 -3.5628 -3.5628 -2.5142 -2.5064 -2.4306 -2.4234 -1.9826 -1.9821 -1.9737 -1.9733 -1.6669 -1.6660 -1.6650 -1.6640 -0.5754 -0.5708 -0.5321 -0.5274 0.6784 0.6907 1.0514 1.0976 1.7027 1.7775 1.9301 1.9505 2.1210 2.1339 2.3757 2.3986 2.6010 2.6072 2.6376 2.8007 2.8380 3.0511 3.3321 3.4052 5.8874 5.8936 6.1665 6.1674 7.9164 7.9676 8.2768 8.3816 9.1360 9.1963 k =-0.2674 0.1692 0.0000 ( 7775 PWs) bands (ev): -8.7016 -8.7014 -8.5661 -8.5659 -8.3441 -8.3439 -8.1811 -8.1810 -3.9383 -3.9347 -3.8882 -3.8852 -3.5630 -3.5629 -3.5619 -3.5618 -2.5104 -2.5021 -2.4289 -2.4212 -1.9795 -1.9790 -1.9708 -1.9703 -1.6669 -1.6661 -1.6649 -1.6641 -0.5939 -0.5904 -0.5320 -0.5283 0.6466 0.6599 1.0071 1.0553 1.6398 1.7213 1.8912 1.9293 2.1159 2.1243 2.3271 2.3692 2.5715 2.5769 2.6023 2.7813 2.8318 3.0497 3.3286 3.4029 5.8410 5.8476 6.1444 6.1449 7.9255 7.9793 8.2888 8.4013 9.1348 9.2036 k =-0.2791 0.1766 0.0000 ( 7769 PWs) bands (ev): -8.6834 -8.6833 -8.5526 -8.5525 -8.3380 -8.3378 -8.1818 -8.1817 -3.9314 -3.9277 -3.8821 -3.8789 -3.5620 -3.5619 -3.5609 -3.5609 -2.5069 -2.4981 -2.4278 -2.4195 -1.9766 -1.9760 -1.9679 -1.9674 -1.6666 -1.6661 -1.6647 -1.6641 -0.6118 -0.6087 -0.5323 -0.5291 0.6160 0.6308 0.9615 1.0128 1.5774 1.6647 1.8516 1.9038 2.1155 2.1210 2.2803 2.3383 2.5380 2.5455 2.5763 2.7640 2.8277 3.0488 3.3249 3.4001 5.7948 5.8026 6.1163 6.1171 7.9336 7.9898 8.2949 8.4144 9.1302 9.2032 k =-0.2907 0.1839 0.0000 ( 7763 PWs) bands (ev): -8.6652 -8.6651 -8.5394 -8.5392 -8.3318 -8.3316 -8.1826 -8.1825 -3.9245 -3.9206 -3.8762 -3.8728 -3.5610 -3.5610 -3.5600 -3.5599 -2.5037 -2.4944 -2.4272 -2.4183 -1.9737 -1.9732 -1.9651 -1.9647 -1.6662 -1.6658 -1.6643 -1.6639 -0.6284 -0.6255 -0.5333 -0.5302 0.5867 0.6039 0.9150 0.9707 1.5163 1.6086 1.8116 1.8745 2.1181 2.1215 2.2370 2.3072 2.5016 2.5133 2.5582 2.7486 2.8255 3.0483 3.3210 3.3970 5.7494 5.7587 6.0832 6.0850 7.9403 7.9985 8.2964 8.4214 9.1228 9.1963 k =-0.3023 0.1913 0.0000 ( 7755 PWs) bands (ev): -8.6471 -8.6469 -8.5264 -8.5263 -8.3255 -8.3254 -8.1835 -8.1834 -3.9176 -3.9136 -3.8705 -3.8670 -3.5601 -3.5600 -3.5591 -3.5591 -2.5010 -2.4910 -2.4273 -2.4177 -1.9710 -1.9704 -1.9625 -1.9620 -1.6656 -1.6654 -1.6638 -1.6635 -0.6434 -0.6405 -0.5351 -0.5319 0.5590 0.5795 0.8680 0.9292 1.4570 1.5536 1.7715 1.8425 2.1209 2.1215 2.2008 2.2772 2.4649 2.4807 2.5450 2.7350 2.8251 3.0482 3.3170 3.3934 5.7049 5.7162 6.0463 6.0496 7.9449 8.0044 8.2944 8.4232 9.1131 9.1842 k =-0.3140 0.1986 0.0000 ( 7749 PWs) bands (ev): -8.6291 -8.6290 -8.5139 -8.5138 -8.3192 -8.3191 -8.1845 -8.1844 -3.9107 -3.9066 -3.8650 -3.8613 -3.5593 -3.5592 -3.5582 -3.5582 -2.4986 -2.4879 -2.4280 -2.4176 -1.9684 -1.9678 -1.9600 -1.9596 -1.6648 -1.6648 -1.6631 -1.6630 -0.6567 -0.6536 -0.5378 -0.5343 0.5330 0.5576 0.8211 0.8889 1.4000 1.5005 1.7315 1.8084 2.1086 2.1227 2.1811 2.2508 2.4296 2.4481 2.5350 2.7227 2.8264 3.0484 3.3129 3.3895 5.6617 5.6753 6.0066 6.0119 7.9472 8.0071 8.2900 8.4205 9.1015 9.1684 k =-0.3256 0.2060 0.0000 ( 7755 PWs) bands (ev): -8.6114 -8.6113 -8.5019 -8.5018 -8.3129 -8.3128 -8.1856 -8.1855 -3.9040 -3.8997 -3.8599 -3.8560 -3.5584 -3.5583 -3.5574 -3.5574 -2.4965 -2.4852 -2.4293 -2.4182 -1.9660 -1.9653 -1.9577 -1.9572 -1.6641 -1.6639 -1.6623 -1.6622 -0.6681 -0.6647 -0.5414 -0.5375 0.5086 0.5384 0.7746 0.8500 1.3460 1.4498 1.6918 1.7729 2.0810 2.1180 2.1804 2.2309 2.3963 2.4160 2.5276 2.7116 2.8296 3.0491 3.3087 3.3852 5.6200 5.6360 5.9652 5.9728 7.9470 8.0061 8.2843 8.4143 9.0884 9.1501 k =-0.3372 0.2133 0.0000 ( 7760 PWs) bands (ev): -8.5941 -8.5939 -8.4905 -8.4904 -8.3065 -8.3064 -8.1869 -8.1867 -3.8974 -3.8929 -3.8551 -3.8510 -3.5577 -3.5575 -3.5567 -3.5566 -2.4949 -2.4828 -2.4312 -2.4192 -1.9637 -1.9630 -1.9555 -1.9550 -1.6631 -1.6628 -1.6615 -1.6612 -0.6776 -0.6739 -0.5457 -0.5414 0.4856 0.5218 0.7290 0.8129 1.2956 1.4021 1.6525 1.7364 2.0479 2.1045 2.1882 2.2195 2.3662 2.3848 2.5224 2.7014 2.8345 3.0500 3.3045 3.3805 5.5801 5.5985 5.9231 5.9332 7.9441 8.0013 8.2780 8.4053 9.0741 9.1302 k =-0.3488 0.2207 0.0000 ( 7764 PWs) bands (ev): -8.5772 -8.5770 -8.4798 -8.4797 -8.3002 -8.3001 -8.1882 -8.1881 -3.8910 -3.8863 -3.8507 -3.8464 -3.5569 -3.5568 -3.5560 -3.5559 -2.4936 -2.4807 -2.4336 -2.4208 -1.9615 -1.9607 -1.9535 -1.9530 -1.6621 -1.6616 -1.6606 -1.6601 -0.6852 -0.6811 -0.5508 -0.5460 0.4641 0.5075 0.6848 0.7777 1.2494 1.3580 1.6137 1.6994 2.0148 2.0832 2.1981 2.2139 2.3405 2.3552 2.5191 2.6919 2.8411 3.0512 3.3003 3.3755 5.5421 5.5629 5.8811 5.8937 7.9389 7.9931 8.2716 8.3942 9.0590 9.1094 k =-0.3605 0.2281 0.0000 ( 7766 PWs) bands (ev): -8.5608 -8.5606 -8.4698 -8.4697 -8.2939 -8.2938 -8.1897 -8.1896 -3.8848 -3.8800 -3.8466 -3.8422 -3.5562 -3.5561 -3.5553 -3.5552 -2.4926 -2.4789 -2.4365 -2.4228 -1.9594 -1.9587 -1.9516 -1.9511 -1.6609 -1.6603 -1.6595 -1.6589 -0.6909 -0.6864 -0.5565 -0.5512 0.4437 0.4953 0.6421 0.7445 1.2081 1.3181 1.5755 1.6620 1.9834 2.0576 2.2071 2.2087 2.3213 2.3281 2.5176 2.6831 2.8494 3.0524 3.2962 3.3701 5.5062 5.5292 5.8400 5.8550 7.9316 7.9820 8.2653 8.3814 9.0433 9.0885 k =-0.3721 0.2354 0.0000 ( 7766 PWs) bands (ev): -8.5451 -8.5449 -8.4606 -8.4605 -8.2876 -8.2875 -8.1914 -8.1913 -3.8788 -3.8739 -3.8430 -3.8384 -3.5556 -3.5554 -3.5547 -3.5546 -2.4919 -2.4774 -2.4398 -2.4253 -1.9575 -1.9567 -1.9499 -1.9494 -1.6597 -1.6589 -1.6583 -1.6576 -0.6948 -0.6899 -0.5628 -0.5569 0.4243 0.4849 0.6015 0.7130 1.1724 1.2828 1.5379 1.6244 1.9543 2.0303 2.1996 2.2127 2.3056 2.3100 2.5179 2.6747 2.8593 3.0537 3.2923 3.3645 5.4726 5.4975 5.8005 5.8177 7.9227 7.9687 8.2593 8.3675 9.0276 9.0678 k =-0.3837 0.2428 0.0000 ( 7766 PWs) bands (ev): -8.5301 -8.5299 -8.4524 -8.4523 -8.2814 -8.2813 -8.1932 -8.1931 -3.8731 -3.8680 -3.8398 -3.8350 -3.5550 -3.5548 -3.5542 -3.5540 -2.4914 -2.4762 -2.4435 -2.4281 -1.9556 -1.9549 -1.9484 -1.9479 -1.6583 -1.6575 -1.6570 -1.6563 -0.6971 -0.6917 -0.5694 -0.5630 0.4061 0.4761 0.5631 0.6832 1.1428 1.2527 1.5010 1.5869 1.9279 2.0030 2.1857 2.2115 2.2908 2.3061 2.5198 2.6666 2.8707 3.0548 3.2887 3.3585 5.4415 5.4679 5.7633 5.7823 7.9126 7.9541 8.2535 8.3529 9.0121 9.0478 k =-0.3953 0.2501 0.0000 ( 7760 PWs) bands (ev): -8.5158 -8.5157 -8.4451 -8.4450 -8.2753 -8.2752 -8.1952 -8.1951 -3.8677 -3.8625 -3.8371 -3.8321 -3.5545 -3.5543 -3.5537 -3.5535 -2.4911 -2.4751 -2.4473 -2.4312 -1.9539 -1.9531 -1.9470 -1.9465 -1.6570 -1.6561 -1.6557 -1.6549 -0.6978 -0.6920 -0.5764 -0.5694 0.3891 0.4684 0.5272 0.6547 1.1198 1.2281 1.4647 1.5496 1.9042 1.9763 2.1689 2.2013 2.2856 2.3068 2.5233 2.6589 2.8833 3.0555 3.2856 3.3524 5.4130 5.4403 5.7287 5.7490 7.9021 7.9387 8.2480 8.3380 8.9972 9.0288 k =-0.4070 0.2575 0.0000 ( 7756 PWs) bands (ev): -8.5025 -8.5023 -8.4388 -8.4388 -8.2693 -8.2692 -8.1974 -8.1972 -3.8627 -3.8573 -3.8348 -3.8297 -3.5540 -3.5538 -3.5532 -3.5530 -2.4908 -2.4743 -2.4511 -2.4344 -1.9523 -1.9515 -1.9458 -1.9454 -1.6556 -1.6548 -1.6544 -1.6536 -0.6971 -0.6909 -0.5835 -0.5761 0.3735 0.4617 0.4941 0.6274 1.1036 1.2094 1.4291 1.5126 1.8834 1.9509 2.1515 2.1851 2.2873 2.3096 2.5281 2.6513 2.8970 3.0556 3.2830 3.3460 5.3874 5.4148 5.6973 5.7182 7.8914 7.9233 8.2429 8.3231 8.9833 9.0111 k =-0.4186 0.2648 0.0000 ( 7768 PWs) bands (ev): -8.4901 -8.4900 -8.4336 -8.4336 -8.2634 -8.2634 -8.1997 -8.1996 -3.8579 -3.8525 -3.8329 -3.8277 -3.5536 -3.5533 -3.5528 -3.5526 -2.4906 -2.4737 -2.4548 -2.4378 -1.9508 -1.9500 -1.9448 -1.9444 -1.6542 -1.6535 -1.6531 -1.6523 -0.6951 -0.6886 -0.5907 -0.5830 0.3597 0.4554 0.4645 0.6011 1.0943 1.1966 1.3942 1.4763 1.8655 1.9271 2.1349 2.1668 2.2920 2.3131 2.5341 2.6439 2.9115 3.0550 3.2812 3.3394 5.3648 5.3914 5.6694 5.6901 7.8812 7.9085 8.2383 8.3085 8.9707 8.9948 k =-0.4302 0.2722 0.0000 ( 7768 PWs) bands (ev): -8.4788 -8.4786 -8.4295 -8.4295 -8.2578 -8.2577 -8.2022 -8.2021 -3.8536 -3.8482 -3.8314 -3.8262 -3.5532 -3.5529 -3.5524 -3.5522 -2.4903 -2.4735 -2.4582 -2.4412 -1.9493 -1.9487 -1.9440 -1.9436 -1.6530 -1.6523 -1.6518 -1.6512 -0.6921 -0.6853 -0.5978 -0.5899 0.3479 0.4355 0.4525 0.5760 1.0914 1.1899 1.3601 1.4407 1.8506 1.9052 2.1200 2.1488 2.2974 2.3163 2.5410 2.6365 2.9265 3.0532 3.2802 3.3327 5.3453 5.3703 5.6453 5.6651 7.8717 7.8946 8.2345 8.2946 8.9595 8.9802 k =-0.4419 0.2796 0.0000 ( 7778 PWs) bands (ev): -8.4685 -8.4684 -8.4266 -8.4265 -8.2523 -8.2523 -8.2049 -8.2048 -3.8496 -3.8443 -3.8304 -3.8252 -3.5528 -3.5526 -3.5521 -3.5519 -2.4898 -2.4738 -2.4608 -2.4445 -1.9480 -1.9474 -1.9434 -1.9430 -1.6518 -1.6511 -1.6508 -1.6501 -0.6882 -0.6813 -0.6047 -0.5968 0.3386 0.4113 0.4492 0.5522 1.0946 1.1888 1.3269 1.4061 1.8388 1.8855 2.1073 2.1322 2.3028 2.3189 2.5486 2.6291 2.9418 3.0502 3.2802 3.3260 5.3291 5.3516 5.6251 5.6432 7.8634 7.8821 8.2316 8.2816 8.9501 8.9673 k =-0.4535 0.2869 0.0000 ( 7780 PWs) bands (ev): -8.4595 -8.4593 -8.4247 -8.4247 -8.2472 -8.2472 -8.2078 -8.2076 -3.8461 -3.8410 -3.8296 -3.8246 -3.5525 -3.5523 -3.5519 -3.5517 -2.4891 -2.4749 -2.4622 -2.4478 -1.9469 -1.9463 -1.9430 -1.9426 -1.6507 -1.6501 -1.6498 -1.6493 -0.6838 -0.6770 -0.6112 -0.6036 0.3319 0.3900 0.4478 0.5302 1.1032 1.1932 1.2948 1.3728 1.8299 1.8681 2.0971 2.1176 2.3077 2.3207 2.5567 2.6216 2.9570 3.0457 3.2811 3.3193 5.3163 5.3355 5.6091 5.6246 7.8565 7.8713 8.2298 8.2697 8.9426 8.9563 k =-0.4651 0.2943 0.0000 ( 7776 PWs) bands (ev): -8.4517 -8.4516 -8.4240 -8.4239 -8.2425 -8.2424 -8.2107 -8.2105 -3.8430 -3.8384 -3.8290 -3.8245 -3.5523 -3.5521 -3.5517 -3.5515 -2.4882 -2.4768 -2.4624 -2.4508 -1.9458 -1.9453 -1.9428 -1.9424 -1.6499 -1.6493 -1.6491 -1.6486 -0.6790 -0.6727 -0.6169 -0.6100 0.3281 0.3717 0.4484 0.5102 1.1165 1.2025 1.2640 1.3411 1.8242 1.8533 2.0896 2.1053 2.3119 2.3218 2.5650 2.6140 2.9719 3.0396 3.2832 3.3128 5.3069 5.3220 5.5971 5.6094 7.8513 7.8622 8.2294 8.2592 8.9370 8.9473 k =-0.4767 0.3016 0.0000 ( 7784 PWs) bands (ev): -8.4455 -8.4453 -8.4241 -8.4240 -8.2384 -8.2384 -8.2134 -8.2133 -3.8404 -3.8368 -3.8284 -3.8249 -3.5521 -3.5520 -3.5515 -3.5514 -2.4870 -2.4791 -2.4617 -2.4537 -1.9449 -1.9445 -1.9427 -1.9424 -1.6492 -1.6488 -1.6485 -1.6481 -0.6743 -0.6692 -0.6214 -0.6159 0.3275 0.3566 0.4515 0.4928 1.1338 1.2144 1.2366 1.3113 1.8215 1.8411 2.0850 2.0956 2.3154 2.3220 2.5735 2.6062 2.9861 3.0318 3.2863 3.3064 5.3010 5.3114 5.5893 5.5978 7.8480 7.8552 8.2303 8.2502 8.9334 8.9403 k =-0.4884 0.3090 0.0000 ( 7792 PWs) bands (ev): -8.4411 -8.4410 -8.4248 -8.4247 -8.2354 -8.2353 -8.2156 -8.2156 -3.8384 -3.8363 -3.8275 -3.8255 -3.5520 -3.5519 -3.5514 -3.5513 -2.4854 -2.4814 -2.4603 -2.4562 -1.9442 -1.9439 -1.9428 -1.9425 -1.6487 -1.6485 -1.6481 -1.6479 -0.6702 -0.6672 -0.6238 -0.6206 0.3300 0.3445 0.4574 0.4780 1.1545 1.2030 1.2381 1.2837 1.8219 1.8318 2.0833 2.0886 2.3181 2.3215 2.5819 2.5983 2.9995 3.0225 3.2902 3.3005 5.2985 5.3038 5.5855 5.5899 7.8467 7.8502 8.2328 8.2427 8.9320 8.9354 k =-0.5000 0.3163 0.0000 ( 7788 PWs) bands (ev): -8.4394 -8.4394 -8.4252 -8.4252 -8.2342 -8.2342 -8.2165 -8.2165 -3.8369 -3.8369 -3.8265 -3.8265 -3.5520 -3.5520 -3.5513 -3.5513 -2.4836 -2.4836 -2.4585 -2.4585 -1.9438 -1.9438 -1.9428 -1.9428 -1.6485 -1.6485 -1.6479 -1.6479 -0.6676 -0.6676 -0.6235 -0.6235 0.3356 0.3356 0.4662 0.4662 1.1780 1.1780 1.2590 1.2590 1.8254 1.8254 2.0845 2.0845 2.3202 2.3202 2.5902 2.5902 3.0117 3.0117 3.2950 3.2950 5.2995 5.2995 5.5858 5.5858 7.8474 7.8474 8.2369 8.2369 8.9326 8.9326 k =-0.5000 0.3163 0.0000 ( 7788 PWs) bands (ev): -8.4394 -8.4394 -8.4252 -8.4252 -8.2342 -8.2342 -8.2165 -8.2165 -3.8369 -3.8369 -3.8265 -3.8265 -3.5520 -3.5520 -3.5513 -3.5513 -2.4836 -2.4836 -2.4585 -2.4585 -1.9438 -1.9438 -1.9428 -1.9428 -1.6485 -1.6485 -1.6479 -1.6479 -0.6676 -0.6676 -0.6235 -0.6235 0.3356 0.3356 0.4662 0.4662 1.1780 1.1780 1.2590 1.2590 1.8254 1.8254 2.0845 2.0845 2.3202 2.3202 2.5902 2.5902 3.0117 3.0117 3.2950 3.2950 5.2995 5.2995 5.5858 5.5858 7.8474 7.8474 8.2369 8.2369 8.9326 8.9326 k =-0.4929 0.3276-0.0000 ( 7792 PWs) bands (ev): -8.4394 -8.4394 -8.4253 -8.4253 -8.2340 -8.2340 -8.2165 -8.2165 -3.8371 -3.8369 -3.8267 -3.8265 -3.5520 -3.5519 -3.5513 -3.5513 -2.4838 -2.4832 -2.4587 -2.4582 -1.9439 -1.9438 -1.9428 -1.9428 -1.6486 -1.6483 -1.6480 -1.6477 -0.6683 -0.6663 -0.6242 -0.6222 0.3342 0.3383 0.4645 0.4691 1.1778 1.1791 1.2578 1.2602 1.8236 1.8245 2.0770 2.0783 2.3239 2.3247 2.5865 2.5930 3.0118 3.0123 3.2927 3.2931 5.2973 5.3039 5.5834 5.5910 7.8490 7.8535 8.2371 8.2411 8.9167 8.9446 k =-0.4857 0.3389-0.0000 ( 7792 PWs) bands (ev): -8.4395 -8.4395 -8.4257 -8.4257 -8.2337 -8.2337 -8.2165 -8.2165 -3.8373 -3.8369 -3.8270 -3.8267 -3.5519 -3.5518 -3.5513 -3.5512 -2.4838 -2.4827 -2.4589 -2.4578 -1.9441 -1.9439 -1.9430 -1.9430 -1.6486 -1.6481 -1.6481 -1.6476 -0.6683 -0.6643 -0.6243 -0.6204 0.3341 0.3422 0.4638 0.4731 1.1786 1.1810 1.2565 1.2616 1.8192 1.8210 2.0571 2.0600 2.3346 2.3357 2.5823 2.5949 3.0128 3.0138 3.2860 3.2868 5.2972 5.3105 5.5839 5.5989 7.8583 7.8671 8.2414 8.2497 8.8980 8.9516 k =-0.4786 0.3502-0.0000 ( 7790 PWs) bands (ev): -8.4396 -8.4396 -8.4264 -8.4264 -8.2330 -8.2330 -8.2164 -8.2164 -3.8377 -3.8371 -3.8276 -3.8271 -3.5519 -3.5516 -3.5512 -3.5510 -2.4837 -2.4821 -2.4591 -2.4574 -1.9444 -1.9441 -1.9433 -1.9433 -1.6486 -1.6482 -1.6479 -1.6474 -0.6677 -0.6618 -0.6238 -0.6179 0.3353 0.3474 0.4643 0.4782 1.1801 1.1837 1.2554 1.2632 1.8122 1.8151 2.0281 2.0331 2.3495 2.3497 2.5776 2.5953 3.0146 3.0163 3.2753 3.2763 5.2994 5.3192 5.5873 5.6094 7.8749 7.8882 8.2495 8.2623 8.8775 8.9531 k =-0.4714 0.3615-0.0000 ( 7776 PWs) bands (ev): -8.4398 -8.4398 -8.4273 -8.4273 -8.2321 -8.2321 -8.2164 -8.2164 -3.8381 -3.8374 -3.8283 -3.8276 -3.5518 -3.5514 -3.5510 -3.5508 -2.4834 -2.4813 -2.4592 -2.4569 -1.9447 -1.9444 -1.9438 -1.9437 -1.6485 -1.6482 -1.6476 -1.6471 -0.6664 -0.6586 -0.6227 -0.6149 0.3377 0.3538 0.4658 0.4843 1.1822 1.1870 1.2542 1.2653 1.8028 1.8067 1.9931 2.0005 2.3640 2.3657 2.5723 2.5939 3.0175 3.0200 3.2607 3.2618 5.3038 5.3298 5.5934 5.6224 7.8986 7.9162 8.2608 8.2785 8.8563 8.9492 k =-0.4643 0.3728-0.0000 ( 7780 PWs) bands (ev): -8.4401 -8.4401 -8.4286 -8.4286 -8.2310 -8.2310 -8.2164 -8.2163 -3.8387 -3.8377 -3.8292 -3.8284 -3.5516 -3.5512 -3.5508 -3.5506 -2.4830 -2.4804 -2.4592 -2.4564 -1.9452 -1.9448 -1.9443 -1.9442 -1.6484 -1.6483 -1.6474 -1.6468 -0.6645 -0.6549 -0.6209 -0.6113 0.3414 0.3614 0.4683 0.4915 1.1846 1.1907 1.2534 1.2681 1.7911 1.7963 1.9545 1.9645 2.3766 2.3816 2.5663 2.5903 3.0216 3.0249 3.2426 3.2435 5.3102 5.3423 5.6022 5.6377 7.9287 7.9507 8.2743 8.2977 8.8355 8.9405 k =-0.4572 0.3840-0.0000 ( 7774 PWs) bands (ev): -8.4404 -8.4404 -8.4301 -8.4301 -8.2296 -8.2296 -8.2163 -8.2163 -3.8394 -3.8382 -3.8303 -3.8293 -3.5514 -3.5509 -3.5506 -3.5503 -2.4825 -2.4793 -2.4592 -2.4559 -1.9458 -1.9453 -1.9450 -1.9448 -1.6482 -1.6482 -1.6472 -1.6464 -0.6619 -0.6506 -0.6184 -0.6072 0.3464 0.3703 0.4719 0.4998 1.1871 1.1943 1.2530 1.2720 1.7771 1.7838 1.9141 1.9267 2.3867 2.3961 2.5592 2.5843 3.0269 3.0311 3.2212 3.2220 5.3188 5.3565 5.6135 5.6550 7.9645 7.9911 8.2889 8.3189 8.8164 8.9282 k =-0.4500 0.3953-0.0000 ( 7770 PWs) bands (ev): -8.4408 -8.4408 -8.4319 -8.4319 -8.2281 -8.2281 -8.2163 -8.2163 -3.8402 -3.8388 -3.8315 -3.8304 -3.5512 -3.5506 -3.5503 -3.5499 -2.4818 -2.4782 -2.4592 -2.4554 -1.9465 -1.9460 -1.9457 -1.9455 -1.6482 -1.6479 -1.6471 -1.6460 -0.6587 -0.6457 -0.6153 -0.6026 0.3525 0.3803 0.4763 0.5089 1.1891 1.1977 1.2534 1.2772 1.7607 1.7697 1.8733 1.8883 2.3939 2.4088 2.5508 2.5757 3.0335 3.0382 3.1971 3.1976 5.3293 5.3724 5.6272 5.6741 8.0050 8.0365 8.3034 8.3413 8.8001 8.9133 k =-0.4429 0.4066-0.0000 ( 7784 PWs) bands (ev): -8.4413 -8.4413 -8.4340 -8.4340 -8.2263 -8.2262 -8.2163 -8.2163 -3.8411 -3.8396 -3.8329 -3.8317 -3.5510 -3.5503 -3.5500 -3.5495 -2.4810 -2.4769 -2.4591 -2.4549 -1.9473 -1.9468 -1.9464 -1.9463 -1.6481 -1.6476 -1.6469 -1.6456 -0.6549 -0.6404 -0.6116 -0.5974 0.3599 0.3914 0.4817 0.5190 1.1903 1.2006 1.2548 1.2841 1.7413 1.7540 1.8339 1.8504 2.3983 2.4193 2.5408 2.5645 3.0408 3.0457 3.1710 3.1712 5.3416 5.3897 5.6430 5.6949 8.0490 8.0859 8.3163 8.3635 8.7878 8.8972 k =-0.4357 0.4179-0.0000 ( 7782 PWs) bands (ev): -8.4419 -8.4419 -8.4364 -8.4364 -8.2242 -8.2242 -8.2163 -8.2163 -3.8421 -3.8405 -3.8345 -3.8331 -3.5507 -3.5500 -3.5496 -3.5491 -2.4801 -2.4756 -2.4590 -2.4543 -1.9483 -1.9479 -1.9472 -1.9472 -1.6480 -1.6473 -1.6468 -1.6452 -0.6506 -0.6346 -0.6073 -0.5918 0.3684 0.4035 0.4879 0.5299 1.1903 1.2028 1.2574 1.2926 1.7177 1.7367 1.7980 1.8143 2.3998 2.4276 2.5294 2.5512 3.0479 3.0517 3.1439 3.1448 5.3556 5.4084 5.6606 5.7169 8.0945 8.1382 8.3264 8.3842 8.7802 8.8809 k =-0.4286 0.4292-0.0000 ( 7782 PWs) bands (ev): -8.4426 -8.4426 -8.4392 -8.4391 -8.2220 -8.2220 -8.2164 -8.2163 -3.8433 -3.8415 -3.8362 -3.8347 -3.5504 -3.5496 -3.5492 -3.5487 -2.4791 -2.4742 -2.4589 -2.4538 -1.9493 -1.9490 -1.9482 -1.9481 -1.6478 -1.6469 -1.6467 -1.6448 -0.6456 -0.6284 -0.6023 -0.5858 0.3781 0.4168 0.4949 0.5415 1.1890 1.2044 1.2611 1.3029 1.6888 1.7172 1.7677 1.7814 2.3986 2.4334 2.5168 2.5365 3.0515 3.0516 3.1191 3.1229 5.3713 5.4282 5.6799 5.7402 8.1392 8.1919 8.3334 8.4021 8.7775 8.8658 k =-0.4215 0.4405-0.0000 ( 7768 PWs) bands (ev): -8.4434 -8.4434 -8.4422 -8.4422 -8.2196 -8.2196 -8.2165 -8.2164 -3.8447 -3.8427 -3.8381 -3.8365 -3.5501 -3.5492 -3.5488 -3.5482 -2.4781 -2.4728 -2.4588 -2.4534 -1.9505 -1.9503 -1.9492 -1.9490 -1.6476 -1.6465 -1.6464 -1.6444 -0.6402 -0.6218 -0.5967 -0.5793 0.3889 0.4310 0.5026 0.5538 1.1866 1.2055 1.2656 1.3145 1.6552 1.6949 1.7434 1.7537 2.3945 2.4357 2.5040 2.5217 3.0373 3.0432 3.1049 3.1137 5.3883 5.4491 5.7006 5.7643 8.1796 8.2450 8.3380 8.4157 8.7791 8.8529 k =-0.4143 0.4518-0.0000 ( 7760 PWs) bands (ev): -8.4456 -8.4456 -8.4444 -8.4444 -8.2171 -8.2171 -8.2167 -8.2166 -3.8462 -3.8442 -3.8401 -3.8383 -3.5497 -3.5487 -3.5484 -3.5478 -2.4770 -2.4714 -2.4587 -2.4529 -1.9518 -1.9517 -1.9503 -1.9501 -1.6474 -1.6465 -1.6460 -1.6440 -0.6342 -0.6149 -0.5906 -0.5724 0.4008 0.4461 0.5110 0.5667 1.1833 1.2062 1.2703 1.3274 1.6189 1.6697 1.7238 1.7319 2.3870 2.4331 2.4920 2.5093 3.0092 3.0188 3.1055 3.1164 5.4066 5.4709 5.7225 5.7892 8.2107 8.2950 8.3419 8.4243 8.7841 8.8436 k =-0.4072 0.4630-0.0000 ( 7758 PWs) bands (ev): -8.4493 -8.4493 -8.4456 -8.4455 -8.2169 -8.2169 -8.2144 -8.2144 -3.8480 -3.8458 -3.8421 -3.8402 -3.5494 -3.5483 -3.5480 -3.5473 -2.4759 -2.4700 -2.4586 -2.4525 -1.9532 -1.9532 -1.9514 -1.9512 -1.6472 -1.6464 -1.6455 -1.6437 -0.6279 -0.6078 -0.5839 -0.5651 0.4137 0.4621 0.5201 0.5799 1.1795 1.2067 1.2749 1.3410 1.5821 1.6433 1.7075 1.7154 2.3757 2.4239 2.4821 2.5015 2.9744 2.9861 3.1129 3.1241 5.4261 5.4935 5.7453 5.8146 8.2284 8.3390 8.3463 8.4272 8.7924 8.8396 k =-0.4000 0.4743-0.0000 ( 7764 PWs) bands (ev): -8.4534 -8.4534 -8.4469 -8.4468 -8.2173 -8.2172 -8.2115 -8.2115 -3.8500 -3.8478 -3.8442 -3.8422 -3.5491 -3.5479 -3.5476 -3.5468 -2.4748 -2.4686 -2.4585 -2.4521 -1.9548 -1.9547 -1.9527 -1.9524 -1.6469 -1.6463 -1.6450 -1.6434 -0.6212 -0.6005 -0.5766 -0.5575 0.4276 0.4788 0.5299 0.5936 1.1755 1.2071 1.2789 1.3550 1.5465 1.6175 1.6938 1.7033 2.3606 2.4084 2.4751 2.4989 2.9365 2.9500 3.1220 3.1331 5.4466 5.5167 5.7689 5.8404 8.2322 8.3482 8.3730 8.4248 8.8056 8.8431 k =-0.3929 0.4856-0.0000 ( 7772 PWs) bands (ev): -8.4579 -8.4579 -8.4484 -8.4483 -8.2177 -8.2177 -8.2086 -8.2086 -3.8523 -3.8501 -3.8463 -3.8441 -3.5487 -3.5474 -3.5472 -3.5463 -2.4738 -2.4674 -2.4584 -2.4517 -1.9565 -1.9563 -1.9539 -1.9536 -1.6466 -1.6463 -1.6445 -1.6432 -0.6141 -0.5931 -0.5689 -0.5496 0.4424 0.4962 0.5403 0.6075 1.1715 1.2074 1.2821 1.3687 1.5136 1.5937 1.6825 1.6946 2.3425 2.3889 2.4710 2.5001 2.8968 2.9120 3.1311 3.1420 5.4679 5.5405 5.7930 5.8663 8.2259 8.3424 8.3924 8.4189 8.8259 8.8560 k =-0.3858 0.4969-0.0000 ( 7768 PWs) bands (ev): -8.4628 -8.4627 -8.4501 -8.4500 -8.2183 -8.2182 -8.2056 -8.2056 -3.8548 -3.8526 -3.8484 -3.8461 -3.5484 -3.5470 -3.5467 -3.5458 -2.4728 -2.4663 -2.4583 -2.4513 -1.9582 -1.9580 -1.9553 -1.9550 -1.6463 -1.6462 -1.6440 -1.6430 -0.6068 -0.5856 -0.5608 -0.5415 0.4581 0.5141 0.5514 0.6216 1.1679 1.2077 1.2844 1.3809 1.4850 1.5725 1.6734 1.6892 2.3225 2.3676 2.4694 2.5034 2.8560 2.8731 3.1396 3.1501 5.4900 5.5647 5.8174 5.8923 8.2135 8.3262 8.3902 8.4160 8.8529 8.8784 k =-0.3786 0.5082-0.0000 ( 7788 PWs) bands (ev): -8.4680 -8.4680 -8.4520 -8.4520 -8.2190 -8.2189 -8.2025 -8.2025 -3.8577 -3.8555 -3.8505 -3.8481 -3.5480 -3.5466 -3.5463 -3.5453 -2.4721 -2.4655 -2.4581 -2.4509 -1.9601 -1.9597 -1.9567 -1.9564 -1.6463 -1.6459 -1.6436 -1.6429 -0.5994 -0.5782 -0.5523 -0.5331 0.4745 0.5325 0.5634 0.6358 1.1649 1.2076 1.2860 1.3889 1.4639 1.5544 1.6666 1.6865 2.3018 2.3460 2.4698 2.5081 2.8147 2.8336 3.1469 3.1571 5.5127 5.5892 5.8421 5.9181 8.1975 8.3011 8.3722 8.4124 8.8767 8.9054 k =-0.3715 0.5195-0.0000 ( 7794 PWs) bands (ev): -8.4736 -8.4736 -8.4542 -8.4541 -8.2198 -8.2198 -8.1993 -8.1993 -3.8608 -3.8585 -3.8527 -3.8502 -3.5477 -3.5462 -3.5460 -3.5449 -2.4716 -2.4649 -2.4578 -2.4504 -1.9620 -1.9616 -1.9582 -1.9579 -1.6462 -1.6455 -1.6431 -1.6429 -0.5918 -0.5709 -0.5434 -0.5246 0.4916 0.5510 0.5763 0.6502 1.1628 1.2069 1.2872 1.3886 1.4552 1.5395 1.6619 1.6864 2.2816 2.3254 2.4716 2.5136 2.7731 2.7941 3.1528 3.1627 5.5359 5.6140 5.8667 5.9437 8.1789 8.2706 8.3470 8.4036 8.8818 8.9167 k =-0.3643 0.5307-0.0000 ( 7790 PWs) bands (ev): -8.4796 -8.4796 -8.4566 -8.4565 -8.2209 -8.2208 -8.1961 -8.1961 -3.8641 -3.8619 -3.8550 -3.8524 -3.5474 -3.5458 -3.5456 -3.5445 -2.4713 -2.4646 -2.4574 -2.4499 -1.9640 -1.9635 -1.9598 -1.9595 -1.6462 -1.6451 -1.6429 -1.6427 -0.5843 -0.5637 -0.5343 -0.5160 0.5091 0.5695 0.5903 0.6649 1.1619 1.2051 1.2885 1.3807 1.4588 1.5279 1.6594 1.6881 2.2629 2.3065 2.4744 2.5195 2.7319 2.7550 3.1572 3.1668 5.5596 5.6389 5.8912 5.9690 8.1578 8.2384 8.3172 8.3910 8.8747 8.8990 k =-0.3572 0.5420-0.0000 ( 7775 PWs) bands (ev): -8.4861 -8.4861 -8.4593 -8.4592 -8.2220 -8.2219 -8.1929 -8.1929 -3.8677 -3.8654 -3.8573 -3.8547 -3.5471 -3.5455 -3.5453 -3.5441 -2.4714 -2.4647 -2.4568 -2.4492 -1.9660 -1.9654 -1.9614 -1.9611 -1.6462 -1.6446 -1.6430 -1.6423 -0.5767 -0.5568 -0.5251 -0.5073 0.5268 0.5876 0.6056 0.6800 1.1623 1.2019 1.2906 1.3718 1.4688 1.5195 1.6588 1.6912 2.2466 2.2901 2.4774 2.5255 2.6917 2.7171 3.1600 3.1693 5.5835 5.6639 5.9155 5.9937 8.1339 8.2075 8.2846 8.3763 8.8622 8.8731 k =-0.3501 0.5533-0.0000 ( 7779 PWs) bands (ev): -8.4929 -8.4929 -8.4623 -8.4622 -8.2234 -8.2233 -8.1897 -8.1896 -3.8714 -3.8691 -3.8597 -3.8570 -3.5468 -3.5452 -3.5450 -3.5437 -2.4719 -2.4652 -2.4562 -2.4485 -1.9681 -1.9675 -1.9631 -1.9627 -1.6462 -1.6442 -1.6431 -1.6419 -0.5693 -0.5502 -0.5157 -0.4986 0.5445 0.6048 0.6224 0.6958 1.1644 1.1970 1.2942 1.3663 1.4812 1.5141 1.6598 1.6949 2.2334 2.2768 2.4799 2.5305 2.6535 2.6812 3.1611 3.1701 5.6078 5.6889 5.9394 6.0179 8.1068 8.1802 8.2507 8.3605 8.8455 8.8466 k =-0.3501 0.5533-0.0000 ( 7779 PWs) bands (ev): -8.4929 -8.4929 -8.4623 -8.4622 -8.2234 -8.2233 -8.1897 -8.1896 -3.8714 -3.8691 -3.8597 -3.8570 -3.5468 -3.5452 -3.5450 -3.5437 -2.4719 -2.4652 -2.4562 -2.4485 -1.9681 -1.9675 -1.9631 -1.9627 -1.6462 -1.6442 -1.6431 -1.6419 -0.5693 -0.5502 -0.5157 -0.4986 0.5445 0.6048 0.6224 0.6958 1.1644 1.1970 1.2942 1.3663 1.4812 1.5141 1.6598 1.6949 2.2334 2.2768 2.4799 2.5305 2.6535 2.6812 3.1611 3.1701 5.6078 5.6889 5.9394 6.0179 8.1068 8.1802 8.2507 8.3605 8.8455 8.8466 k =-0.3501 0.5533 0.0132 ( 7775 PWs) bands (ev): -8.4928 -8.4928 -8.4624 -8.4623 -8.2232 -8.2231 -8.1898 -8.1898 -3.8714 -3.8691 -3.8597 -3.8571 -3.5468 -3.5452 -3.5450 -3.5437 -2.4718 -2.4651 -2.4562 -2.4486 -1.9681 -1.9675 -1.9631 -1.9627 -1.6462 -1.6442 -1.6431 -1.6419 -0.5691 -0.5501 -0.5158 -0.4989 0.5451 0.6050 0.6225 0.6953 1.1657 1.1985 1.2938 1.3651 1.4788 1.5118 1.6599 1.6946 2.2338 2.2769 2.4813 2.5312 2.6565 2.6838 3.1588 3.1678 5.6090 5.6895 5.9376 6.0152 8.1054 8.1850 8.2491 8.3620 8.8476 8.8478 k =-0.3501 0.5533 0.0264 ( 7765 PWs) bands (ev): -8.4925 -8.4925 -8.4629 -8.4628 -8.2228 -8.2227 -8.1902 -8.1902 -3.8712 -3.8690 -3.8598 -3.8572 -3.5468 -3.5452 -3.5450 -3.5438 -2.4716 -2.4651 -2.4561 -2.4488 -1.9681 -1.9675 -1.9630 -1.9626 -1.6461 -1.6442 -1.6431 -1.6419 -0.5683 -0.5497 -0.5163 -0.4999 0.5470 0.6056 0.6231 0.6939 1.1694 1.2028 1.2931 1.3618 1.4722 1.5050 1.6596 1.6932 2.2355 2.2775 2.4852 2.5329 2.6654 2.6913 3.1520 3.1608 5.6125 5.6911 5.9322 6.0071 8.1026 8.1980 8.2450 8.3663 8.8512 8.8536 k =-0.3501 0.5533 0.0396 ( 7773 PWs) bands (ev): -8.4919 -8.4919 -8.4636 -8.4635 -8.2220 -8.2219 -8.1908 -8.1908 -3.8710 -3.8689 -3.8600 -3.8575 -3.5468 -3.5452 -3.5450 -3.5438 -2.4713 -2.4650 -2.4561 -2.4492 -1.9681 -1.9675 -1.9629 -1.9626 -1.6461 -1.6443 -1.6431 -1.6419 -0.5669 -0.5491 -0.5170 -0.5014 0.5501 0.6066 0.6240 0.6914 1.1751 1.2097 1.2928 1.3572 1.4622 1.4947 1.6576 1.6896 2.2395 2.2799 2.4906 2.5348 2.6796 2.7033 3.1410 3.1495 5.6183 5.6939 5.9234 5.9941 8.1004 8.2165 8.2393 8.3722 8.8560 8.8626 k =-0.3501 0.5533 0.0528 ( 7778 PWs) bands (ev): -8.4911 -8.4911 -8.4646 -8.4645 -8.2209 -8.2208 -8.1917 -8.1917 -3.8707 -3.8687 -3.8602 -3.8578 -3.5467 -3.5453 -3.5450 -3.5438 -2.4709 -2.4649 -2.4561 -2.4497 -1.9681 -1.9675 -1.9628 -1.9625 -1.6461 -1.6444 -1.6431 -1.6420 -0.5651 -0.5482 -0.5180 -0.5036 0.5542 0.6079 0.6252 0.6880 1.1818 1.2181 1.2941 1.3527 1.4498 1.4819 1.6526 1.6824 2.2472 2.2852 2.4963 2.5360 2.6981 2.7193 3.1261 3.1342 5.6263 5.6978 5.9118 5.9766 8.1003 8.2330 8.2383 8.3784 8.8614 8.8730 k =-0.3501 0.5533 0.0660 ( 7779 PWs) bands (ev): -8.4901 -8.4901 -8.4658 -8.4658 -8.2195 -8.2195 -8.1928 -8.1928 -3.8703 -3.8685 -3.8604 -3.8582 -3.5466 -3.5453 -3.5449 -3.5439 -2.4705 -2.4648 -2.4561 -2.4504 -1.9682 -1.9675 -1.9627 -1.9623 -1.6460 -1.6446 -1.6431 -1.6421 -0.5628 -0.5472 -0.5193 -0.5062 0.5594 0.6093 0.6266 0.6837 1.1885 1.2269 1.2985 1.3499 1.4361 1.4677 1.6435 1.6708 2.2596 2.2945 2.5011 2.5357 2.7200 2.7385 3.1079 3.1156 5.6366 5.7028 5.8977 5.9555 8.1028 8.2268 8.2619 8.3840 8.8664 8.8833 k =-0.3501 0.5533 0.0792 ( 7781 PWs) bands (ev): -8.4889 -8.4889 -8.4673 -8.4672 -8.2180 -8.2179 -8.1942 -8.1942 -3.8698 -3.8682 -3.8606 -3.8587 -3.5466 -3.5454 -3.5449 -3.5439 -2.4699 -2.4647 -2.4560 -2.4511 -1.9682 -1.9676 -1.9626 -1.9622 -1.6460 -1.6447 -1.6431 -1.6421 -0.5600 -0.5459 -0.5207 -0.5093 0.5656 0.6108 0.6283 0.6785 1.1944 1.2343 1.3069 1.3512 1.4220 1.4532 1.6298 1.6544 2.2767 2.3079 2.5041 2.5332 2.7441 2.7600 3.0871 3.0943 5.6490 5.7090 5.8818 5.9316 8.1082 8.2211 8.2856 8.3883 8.8703 8.8919 k =-0.3501 0.5533 0.0925 ( 7770 PWs) bands (ev): -8.4875 -8.4875 -8.4689 -8.4688 -8.2162 -8.2161 -8.1957 -8.1957 -3.8693 -3.8680 -3.8609 -3.8593 -3.5465 -3.5455 -3.5448 -3.5440 -2.4692 -2.4646 -2.4560 -2.4519 -1.9682 -1.9676 -1.9624 -1.9621 -1.6459 -1.6449 -1.6431 -1.6422 -0.5569 -0.5445 -0.5223 -0.5128 0.5724 0.6123 0.6300 0.6726 1.1992 1.2386 1.3194 1.3581 1.4085 1.4396 1.6119 1.6336 2.2980 2.3252 2.5046 2.5280 2.7693 2.7828 3.0644 3.0711 5.6635 5.7164 5.8647 5.9056 8.1162 8.2156 8.3083 8.3909 8.8733 8.8976 k =-0.3501 0.5533 0.1057 ( 7768 PWs) bands (ev): -8.4859 -8.4859 -8.4707 -8.4706 -8.2142 -8.2141 -8.1974 -8.1974 -3.8688 -3.8677 -3.8612 -3.8598 -3.5464 -3.5455 -3.5447 -3.5441 -2.4685 -2.4646 -2.4559 -2.4526 -1.9681 -1.9677 -1.9623 -1.9620 -1.6459 -1.6450 -1.6431 -1.6423 -0.5535 -0.5430 -0.5240 -0.5165 0.5798 0.6134 0.6318 0.6661 1.2034 1.2393 1.3346 1.3700 1.3976 1.4286 1.5904 1.6093 2.3225 2.3454 2.5020 2.5197 2.7948 2.8061 3.0407 3.0470 5.6800 5.7249 5.8470 5.8786 8.1265 8.2101 8.3287 8.3916 8.8757 8.9003 k =-0.3501 0.5533 0.1189 ( 7770 PWs) bands (ev): -8.4842 -8.4842 -8.4726 -8.4725 -8.2121 -8.2121 -8.1993 -8.1993 -3.8683 -3.8675 -3.8614 -3.8604 -3.5463 -3.5456 -3.5447 -3.5442 -2.4678 -2.4647 -2.4558 -2.4534 -1.9681 -1.9677 -1.9621 -1.9619 -1.6458 -1.6452 -1.6430 -1.6424 -0.5499 -0.5416 -0.5257 -0.5203 0.5875 0.6140 0.6337 0.6592 1.2076 1.2372 1.3494 1.3770 1.3985 1.4229 1.5666 1.5827 2.3486 2.3668 2.4961 2.5084 2.8195 2.8289 3.0172 3.0230 5.6983 5.7347 5.8293 5.8513 8.1385 8.2039 8.3460 8.3906 8.8782 8.9001 k =-0.3501 0.5533 0.1321 ( 7773 PWs) bands (ev): -8.4824 -8.4824 -8.4745 -8.4745 -8.2100 -8.2099 -8.2013 -8.2013 -3.8678 -3.8673 -3.8616 -3.8609 -3.5462 -3.5457 -3.5446 -3.5442 -2.4671 -2.4649 -2.4556 -2.4540 -1.9681 -1.9678 -1.9620 -1.9618 -1.6457 -1.6453 -1.6429 -1.6425 -0.5463 -0.5403 -0.5273 -0.5240 0.5952 0.6136 0.6357 0.6525 1.2121 1.2331 1.3595 1.3722 1.4168 1.4261 1.5425 1.5554 2.3743 2.3875 2.4875 2.4947 2.8423 2.8495 2.9957 3.0007 5.7183 5.7452 5.8124 5.8247 8.1514 8.1965 8.3600 8.3881 8.8812 8.8977 k =-0.3501 0.5533 0.1453 ( 7767 PWs) bands (ev): -8.4805 -8.4805 -8.4765 -8.4765 -8.2078 -8.2078 -8.2034 -8.2034 -3.8675 -3.8672 -3.8616 -3.8613 -3.5461 -3.5458 -3.5445 -3.5443 -2.4664 -2.4653 -2.4554 -2.4546 -1.9680 -1.9679 -1.9619 -1.9618 -1.6456 -1.6454 -1.6429 -1.6427 -0.5429 -0.5396 -0.5285 -0.5270 0.6022 0.6117 0.6382 0.6465 1.2172 1.2281 1.3634 1.3675 1.4364 1.4372 1.5222 1.5305 2.3964 2.4038 2.4782 2.4810 2.8606 2.8649 2.9795 2.9827 5.7389 5.7551 5.7975 5.8010 8.1644 8.1874 8.3706 8.3841 8.8850 8.8939 k =-0.3501 0.5533 0.1585 ( 7762 PWs) bands (ev): -8.4787 -8.4787 -8.4784 -8.4784 -8.2058 -8.2058 -8.2053 -8.2053 -3.8673 -3.8673 -3.8615 -3.8615 -3.5460 -3.5460 -3.5444 -3.5444 -2.4658 -2.4658 -2.4550 -2.4550 -1.9679 -1.9679 -1.9618 -1.9618 -1.6455 -1.6455 -1.6428 -1.6428 -0.5404 -0.5404 -0.5286 -0.5286 0.6079 0.6079 0.6417 0.6417 1.2227 1.2227 1.3649 1.3649 1.4453 1.4453 1.5158 1.5158 2.4084 2.4084 2.4739 2.4739 2.8696 2.8696 2.9742 2.9742 5.7555 5.7555 5.7893 5.7893 8.1766 8.1766 8.3785 8.3785 8.8894 8.8894 k =-0.3501 0.5533 0.1585 ( 7762 PWs) bands (ev): -8.4787 -8.4787 -8.4784 -8.4784 -8.2058 -8.2058 -8.2053 -8.2053 -3.8673 -3.8673 -3.8615 -3.8615 -3.5460 -3.5460 -3.5444 -3.5444 -2.4658 -2.4658 -2.4550 -2.4550 -1.9679 -1.9679 -1.9618 -1.9618 -1.6455 -1.6455 -1.6428 -1.6428 -0.5404 -0.5404 -0.5286 -0.5286 0.6079 0.6079 0.6417 0.6417 1.2227 1.2227 1.3649 1.3649 1.4453 1.4453 1.5158 1.5158 2.4084 2.4084 2.4739 2.4739 2.8696 2.8696 2.9742 2.9742 5.7555 5.7555 5.7893 5.7893 8.1766 8.1766 8.3785 8.3785 8.8894 8.8894 k =-0.3572 0.5420 0.1585 ( 7762 PWs) bands (ev): -8.4735 -8.4735 -8.4733 -8.4733 -8.2070 -8.2070 -8.2064 -8.2064 -3.8641 -3.8641 -3.8586 -3.8586 -3.5462 -3.5462 -3.5447 -3.5447 -2.4656 -2.4656 -2.4555 -2.4555 -1.9659 -1.9659 -1.9601 -1.9601 -1.6456 -1.6456 -1.6430 -1.6430 -0.5477 -0.5477 -0.5364 -0.5364 0.5854 0.5854 0.6181 0.6181 1.2171 1.2171 1.3650 1.3650 1.4687 1.4687 1.5312 1.5312 2.4022 2.4022 2.4602 2.4602 2.8856 2.8856 2.9958 2.9958 5.7376 5.7376 5.7715 5.7715 8.1806 8.1806 8.4007 8.4007 8.8753 8.8753 k =-0.3643 0.5307 0.1585 ( 7754 PWs) bands (ev): -8.4688 -8.4688 -8.4685 -8.4685 -8.2081 -8.2081 -8.2077 -8.2077 -3.8610 -3.8610 -3.8558 -3.8558 -3.5466 -3.5466 -3.5451 -3.5451 -2.4655 -2.4655 -2.4560 -2.4560 -1.9640 -1.9640 -1.9584 -1.9584 -1.6458 -1.6458 -1.6433 -1.6433 -0.5550 -0.5550 -0.5443 -0.5443 0.5634 0.5634 0.5948 0.5948 1.2134 1.2134 1.3662 1.3662 1.4916 1.4916 1.5511 1.5511 2.3967 2.3967 2.4490 2.4490 2.9008 2.9008 3.0164 3.0164 5.7202 5.7202 5.7542 5.7542 8.1832 8.1832 8.4201 8.4201 8.8597 8.8597 k =-0.3715 0.5195 0.1585 ( 7756 PWs) bands (ev): -8.4644 -8.4644 -8.4642 -8.4642 -8.2093 -8.2093 -8.2090 -8.2090 -3.8581 -3.8581 -3.8532 -3.8532 -3.5469 -3.5469 -3.5454 -3.5454 -2.4655 -2.4655 -2.4567 -2.4567 -1.9620 -1.9620 -1.9567 -1.9567 -1.6459 -1.6459 -1.6436 -1.6436 -0.5623 -0.5623 -0.5521 -0.5521 0.5419 0.5419 0.5720 0.5720 1.2117 1.2117 1.3682 1.3682 1.5133 1.5133 1.5756 1.5756 2.3912 2.3912 2.4412 2.4412 2.9150 2.9150 3.0357 3.0357 5.7033 5.7033 5.7374 5.7374 8.1842 8.1842 8.4348 8.4348 8.8445 8.8445 k =-0.3786 0.5082 0.1585 ( 7762 PWs) bands (ev): -8.4603 -8.4603 -8.4602 -8.4602 -8.2106 -8.2106 -8.2103 -8.2103 -3.8554 -3.8554 -3.8508 -3.8508 -3.5473 -3.5473 -3.5458 -3.5458 -2.4657 -2.4657 -2.4575 -2.4575 -1.9602 -1.9602 -1.9552 -1.9552 -1.6460 -1.6460 -1.6439 -1.6439 -0.5694 -0.5694 -0.5598 -0.5598 0.5211 0.5211 0.5498 0.5498 1.2116 1.2116 1.3706 1.3706 1.5340 1.5340 1.6042 1.6042 2.3850 2.3850 2.4378 2.4378 2.9280 2.9280 3.0534 3.0534 5.6870 5.6870 5.7212 5.7212 8.1829 8.1829 8.4428 8.4428 8.8320 8.8320 k =-0.3858 0.4969 0.1585 ( 7760 PWs) bands (ev): -8.4566 -8.4566 -8.4565 -8.4565 -8.2119 -8.2119 -8.2116 -8.2116 -3.8528 -3.8528 -3.8484 -3.8484 -3.5476 -3.5476 -3.5463 -3.5463 -2.4659 -2.4659 -2.4583 -2.4583 -1.9584 -1.9584 -1.9537 -1.9537 -1.6461 -1.6461 -1.6442 -1.6442 -0.5765 -0.5765 -0.5673 -0.5673 0.5010 0.5010 0.5283 0.5283 1.2130 1.2130 1.3731 1.3731 1.5546 1.5546 1.6358 1.6358 2.3779 2.3779 2.4387 2.4387 2.9397 2.9397 3.0696 3.0696 5.6713 5.6713 5.7055 5.7055 8.1788 8.1788 8.4416 8.4416 8.8251 8.8251 k =-0.3929 0.4856 0.1585 ( 7780 PWs) bands (ev): -8.4533 -8.4533 -8.4532 -8.4532 -8.2132 -8.2132 -8.2130 -8.2130 -3.8503 -3.8503 -3.8463 -3.8463 -3.5480 -3.5480 -3.5467 -3.5467 -2.4663 -2.4663 -2.4592 -2.4592 -1.9566 -1.9566 -1.9522 -1.9522 -1.6463 -1.6463 -1.6445 -1.6445 -0.5833 -0.5833 -0.5747 -0.5747 0.4818 0.4818 0.5076 0.5076 1.2158 1.2158 1.3753 1.3753 1.5757 1.5757 1.6692 1.6692 2.3705 2.3705 2.4432 2.4432 2.9502 2.9502 3.0840 3.0840 5.6563 5.6563 5.6904 5.6904 8.1714 8.1714 8.4297 8.4297 8.8260 8.8260 k =-0.4000 0.4743 0.1585 ( 7776 PWs) bands (ev): -8.4503 -8.4503 -8.4501 -8.4501 -8.2144 -8.2144 -8.2143 -8.2143 -3.8480 -3.8480 -3.8443 -3.8443 -3.5484 -3.5484 -3.5472 -3.5472 -2.4667 -2.4667 -2.4602 -2.4602 -1.9550 -1.9550 -1.9509 -1.9509 -1.6465 -1.6465 -1.6448 -1.6448 -0.5899 -0.5899 -0.5818 -0.5818 0.4634 0.4634 0.4877 0.4877 1.2197 1.2197 1.3768 1.3768 1.5979 1.5979 1.7038 1.7038 2.3635 2.3635 2.4504 2.4504 2.9595 2.9595 3.0966 3.0966 5.6420 5.6420 5.6759 5.6759 8.1605 8.1605 8.4069 8.4069 8.8354 8.8354 k =-0.4072 0.4630 0.1585 ( 7794 PWs) bands (ev): -8.4475 -8.4475 -8.4474 -8.4474 -8.2157 -8.2157 -8.2156 -8.2156 -3.8459 -3.8459 -3.8424 -3.8424 -3.5488 -3.5488 -3.5476 -3.5476 -2.4671 -2.4671 -2.4612 -2.4612 -1.9534 -1.9534 -1.9496 -1.9496 -1.6466 -1.6466 -1.6452 -1.6452 -0.5962 -0.5962 -0.5886 -0.5886 0.4461 0.4461 0.4688 0.4688 1.2246 1.2246 1.3776 1.3776 1.6212 1.6212 1.7387 1.7387 2.3573 2.3573 2.4593 2.4593 2.9678 2.9678 3.1073 3.1073 5.6284 5.6284 5.6620 5.6620 8.1459 8.1459 8.3749 8.3749 8.8524 8.8524 k =-0.4143 0.4518 0.1585 ( 7792 PWs) bands (ev): -8.4451 -8.4451 -8.4450 -8.4450 -8.2169 -8.2169 -8.2168 -8.2168 -3.8439 -3.8439 -3.8407 -3.8407 -3.5492 -3.5492 -3.5481 -3.5481 -2.4676 -2.4676 -2.4623 -2.4623 -1.9520 -1.9520 -1.9484 -1.9484 -1.6468 -1.6468 -1.6455 -1.6455 -0.6022 -0.6022 -0.5950 -0.5950 0.4297 0.4297 0.4509 0.4509 1.2303 1.2303 1.3774 1.3774 1.6459 1.6459 1.7735 1.7735 2.3522 2.3522 2.4692 2.4692 2.9752 2.9752 3.1160 3.1160 5.6157 5.6157 5.6486 5.6486 8.1278 8.1278 8.3359 8.3359 8.8753 8.8753 k =-0.4215 0.4405 0.1585 ( 7770 PWs) bands (ev): -8.4429 -8.4429 -8.4428 -8.4428 -8.2181 -8.2181 -8.2180 -8.2180 -3.8421 -3.8421 -3.8392 -3.8392 -3.5496 -3.5496 -3.5485 -3.5485 -2.4682 -2.4682 -2.4633 -2.4633 -1.9506 -1.9506 -1.9473 -1.9473 -1.6470 -1.6470 -1.6458 -1.6458 -0.6078 -0.6078 -0.6011 -0.6011 0.4146 0.4146 0.4340 0.4340 1.2367 1.2367 1.3762 1.3762 1.6717 1.6717 1.8073 1.8073 2.3485 2.3485 2.4793 2.4793 2.9821 2.9821 3.1228 3.1228 5.6038 5.6038 5.6358 5.6358 8.1066 8.1066 8.2926 8.2926 8.9022 8.9022 k =-0.4286 0.4292 0.1585 ( 7768 PWs) bands (ev): -8.4410 -8.4410 -8.4408 -8.4408 -8.2192 -8.2192 -8.2191 -8.2191 -3.8404 -3.8404 -3.8378 -3.8378 -3.5499 -3.5499 -3.5490 -3.5490 -2.4687 -2.4687 -2.4643 -2.4643 -1.9493 -1.9493 -1.9464 -1.9464 -1.6472 -1.6472 -1.6461 -1.6461 -0.6129 -0.6129 -0.6068 -0.6068 0.4005 0.4005 0.4184 0.4184 1.2435 1.2435 1.3740 1.3740 1.6985 1.6985 1.8397 1.8397 2.3464 2.3464 2.4887 2.4887 2.9886 2.9886 3.1276 3.1276 5.5928 5.5928 5.6237 5.6237 8.0830 8.0830 8.2468 8.2468 8.9316 8.9316 k =-0.4357 0.4179 0.1585 ( 7768 PWs) bands (ev): -8.4393 -8.4393 -8.4391 -8.4391 -8.2202 -8.2202 -8.2202 -8.2202 -3.8389 -3.8389 -3.8365 -3.8365 -3.5502 -3.5502 -3.5494 -3.5494 -2.4692 -2.4692 -2.4653 -2.4653 -1.9481 -1.9481 -1.9455 -1.9455 -1.6474 -1.6474 -1.6464 -1.6464 -0.6177 -0.6177 -0.6120 -0.6120 0.3878 0.3878 0.4039 0.4039 1.2506 1.2506 1.3709 1.3709 1.7260 1.7260 1.8699 1.8699 2.3460 2.3460 2.4969 2.4969 2.9951 2.9951 3.1305 3.1305 5.5828 5.5828 5.6122 5.6122 8.0581 8.0581 8.2005 8.2005 8.9621 8.9621 k =-0.4429 0.4066 0.1585 ( 7782 PWs) bands (ev): -8.4378 -8.4378 -8.4376 -8.4376 -8.2212 -8.2212 -8.2212 -8.2212 -3.8375 -3.8375 -3.8354 -3.8354 -3.5505 -3.5505 -3.5498 -3.5498 -2.4697 -2.4697 -2.4663 -2.4663 -1.9470 -1.9470 -1.9447 -1.9447 -1.6476 -1.6476 -1.6467 -1.6467 -0.6219 -0.6219 -0.6168 -0.6168 0.3763 0.3763 0.3907 0.3907 1.2580 1.2580 1.3669 1.3669 1.7540 1.7540 1.8972 1.8972 2.3478 2.3478 2.5030 2.5030 3.0020 3.0020 3.1315 3.1315 5.5739 5.5739 5.6014 5.6014 8.0327 8.0327 8.1551 8.1551 8.9926 8.9926 k =-0.4500 0.3953 0.1585 ( 7806 PWs) bands (ev): -8.4365 -8.4365 -8.4364 -8.4364 -8.2221 -8.2221 -8.2220 -8.2220 -3.8363 -3.8363 -3.8345 -3.8345 -3.5508 -3.5508 -3.5501 -3.5501 -2.4701 -2.4701 -2.4672 -2.4672 -1.9460 -1.9460 -1.9440 -1.9440 -1.6478 -1.6478 -1.6470 -1.6470 -0.6256 -0.6256 -0.6211 -0.6211 0.3662 0.3662 0.3788 0.3788 1.2655 1.2655 1.3622 1.3622 1.7820 1.7820 1.9206 1.9206 2.3519 2.3519 2.5064 2.5064 3.0095 3.0095 3.1307 3.1307 5.5662 5.5662 5.5913 5.5913 8.0081 8.0081 8.1118 8.1118 9.0223 9.0223 k =-0.4572 0.3840 0.1585 ( 7798 PWs) bands (ev): -8.4355 -8.4355 -8.4353 -8.4353 -8.2229 -8.2229 -8.2228 -8.2228 -3.8353 -3.8353 -3.8337 -3.8337 -3.5511 -3.5511 -3.5505 -3.5505 -2.4705 -2.4705 -2.4680 -2.4680 -1.9452 -1.9452 -1.9434 -1.9434 -1.6479 -1.6479 -1.6472 -1.6472 -0.6289 -0.6289 -0.6250 -0.6250 0.3574 0.3574 0.3683 0.3683 1.2730 1.2730 1.3570 1.3570 1.8096 1.8096 1.9397 1.9397 2.3587 2.3587 2.5068 2.5068 3.0178 3.0178 3.1280 3.1280 5.5596 5.5596 5.5821 5.5821 7.9853 7.9853 8.0716 8.0716 9.0504 9.0504 k =-0.4643 0.3728 0.1585 ( 7798 PWs) bands (ev): -8.4346 -8.4346 -8.4345 -8.4345 -8.2235 -8.2235 -8.2235 -8.2235 -3.8343 -3.8343 -3.8330 -3.8330 -3.5513 -3.5513 -3.5508 -3.5508 -2.4708 -2.4708 -2.4688 -2.4688 -1.9444 -1.9444 -1.9430 -1.9430 -1.6480 -1.6480 -1.6474 -1.6474 -0.6316 -0.6316 -0.6283 -0.6283 0.3501 0.3501 0.3592 0.3592 1.2806 1.2806 1.3512 1.3512 1.8365 1.8365 1.9536 1.9536 2.3682 2.3682 2.5038 2.5038 3.0271 3.0271 3.1237 3.1237 5.5544 5.5544 5.5737 5.5737 7.9651 7.9651 8.0353 8.0353 9.0765 9.0765 k =-0.4714 0.3615 0.1585 ( 7802 PWs) bands (ev): -8.4339 -8.4339 -8.4338 -8.4338 -8.2241 -8.2241 -8.2240 -8.2240 -3.8336 -3.8336 -3.8325 -3.8325 -3.5514 -3.5514 -3.5510 -3.5510 -2.4711 -2.4711 -2.4694 -2.4694 -1.9438 -1.9438 -1.9426 -1.9426 -1.6481 -1.6481 -1.6476 -1.6476 -0.6337 -0.6337 -0.6310 -0.6310 0.3442 0.3442 0.3515 0.3515 1.2881 1.2881 1.3450 1.3450 1.8622 1.8622 1.9620 1.9620 2.3803 2.3803 2.4975 2.4975 3.0372 3.0372 3.1178 3.1178 5.5504 5.5504 5.5663 5.5663 7.9486 7.9486 8.0036 8.0036 9.1006 9.1006 k =-0.4786 0.3502 0.1585 ( 7802 PWs) bands (ev): -8.4333 -8.4333 -8.4332 -8.4332 -8.2245 -8.2245 -8.2245 -8.2245 -3.8329 -3.8329 -3.8322 -3.8322 -3.5515 -3.5515 -3.5512 -3.5512 -2.4712 -2.4712 -2.4700 -2.4700 -1.9432 -1.9432 -1.9424 -1.9424 -1.6482 -1.6482 -1.6478 -1.6478 -0.6353 -0.6353 -0.6333 -0.6333 0.3398 0.3398 0.3453 0.3453 1.2956 1.2956 1.3385 1.3385 1.8862 1.8862 1.9648 1.9648 2.3947 2.3947 2.4880 2.4880 3.0480 3.0480 3.1105 3.1105 5.5478 5.5478 5.5600 5.5600 7.9364 7.9364 7.9769 7.9769 9.1227 9.1227 k =-0.4857 0.3389 0.1585 ( 7802 PWs) bands (ev): -8.4329 -8.4329 -8.4329 -8.4329 -8.2248 -8.2248 -8.2248 -8.2248 -3.8325 -3.8325 -3.8319 -3.8319 -3.5516 -3.5516 -3.5514 -3.5514 -2.4713 -2.4713 -2.4705 -2.4705 -1.9428 -1.9428 -1.9422 -1.9422 -1.6482 -1.6482 -1.6480 -1.6480 -0.6364 -0.6364 -0.6350 -0.6350 0.3369 0.3369 0.3406 0.3406 1.3031 1.3031 1.3317 1.3317 1.9080 1.9080 1.9623 1.9623 2.4108 2.4108 2.4756 2.4756 3.0592 3.0592 3.1018 3.1018 5.5465 5.5465 5.5548 5.5548 7.9291 7.9291 7.9558 7.9558 9.1435 9.1435 k =-0.4929 0.3276 0.1585 ( 7814 PWs) bands (ev): -8.4327 -8.4327 -8.4326 -8.4326 -8.2250 -8.2250 -8.2250 -8.2250 -3.8321 -3.8321 -3.8319 -3.8319 -3.5516 -3.5516 -3.5515 -3.5515 -2.4712 -2.4712 -2.4708 -2.4708 -1.9425 -1.9425 -1.9422 -1.9422 -1.6482 -1.6482 -1.6481 -1.6481 -0.6368 -0.6368 -0.6362 -0.6362 0.3355 0.3355 0.3374 0.3374 1.3104 1.3104 1.3248 1.3248 1.9270 1.9270 1.9548 1.9548 2.4278 2.4278 2.4610 2.4610 3.0705 3.0705 3.0921 3.0921 5.5466 5.5466 5.5508 5.5508 7.9271 7.9271 7.9404 7.9404 9.1638 9.1638 k =-0.5000 0.3163 0.1585 ( 7824 PWs) bands (ev): -8.4326 -8.4326 -8.4326 -8.4326 -8.2250 -8.2250 -8.2250 -8.2250 -3.8319 -3.8319 -3.8319 -3.8319 -3.5516 -3.5516 -3.5516 -3.5516 -2.4711 -2.4711 -2.4711 -2.4711 -1.9423 -1.9423 -1.9423 -1.9423 -1.6482 -1.6482 -1.6482 -1.6482 -0.6368 -0.6368 -0.6368 -0.6368 0.3357 0.3357 0.3357 0.3357 1.3176 1.3176 1.3176 1.3176 1.9428 1.9428 1.9428 1.9428 2.4448 2.4448 2.4448 2.4448 3.0816 3.0816 3.0816 3.0816 5.5480 5.5480 5.5480 5.5480 7.9308 7.9308 7.9308 7.9308 9.1847 9.1847 k =-0.5000 0.3163 0.1585 ( 7824 PWs) bands (ev): -8.4326 -8.4326 -8.4326 -8.4326 -8.2250 -8.2250 -8.2250 -8.2250 -3.8319 -3.8319 -3.8319 -3.8319 -3.5516 -3.5516 -3.5516 -3.5516 -2.4711 -2.4711 -2.4711 -2.4711 -1.9423 -1.9423 -1.9423 -1.9423 -1.6482 -1.6482 -1.6482 -1.6482 -0.6368 -0.6368 -0.6368 -0.6368 0.3357 0.3357 0.3357 0.3357 1.3176 1.3176 1.3176 1.3176 1.9428 1.9428 1.9428 1.9428 2.4448 2.4448 2.4448 2.4448 3.0816 3.0816 3.0816 3.0816 5.5480 5.5480 5.5480 5.5480 7.9308 7.9308 7.9308 7.9308 9.1847 9.1847 k =-0.5000 0.3163 0.1453 ( 7816 PWs) bands (ev): -8.4335 -8.4335 -8.4317 -8.4317 -8.2262 -8.2262 -8.2239 -8.2239 -3.8326 -3.8326 -3.8312 -3.8312 -3.5516 -3.5516 -3.5516 -3.5516 -2.4727 -2.4727 -2.4695 -2.4695 -1.9424 -1.9424 -1.9422 -1.9422 -1.6482 -1.6482 -1.6481 -1.6481 -0.6400 -0.6400 -0.6339 -0.6339 0.3282 0.3282 0.3452 0.3452 1.3077 1.3077 1.3244 1.3244 1.9299 1.9299 1.9555 1.9555 2.4307 2.4307 2.4601 2.4601 3.0614 3.0614 3.1039 3.1039 5.5260 5.5260 5.5665 5.5665 7.9063 7.9063 7.9592 7.9592 9.1718 9.1745 k =-0.5000 0.3163 0.1321 ( 7808 PWs) bands (ev): -8.4344 -8.4344 -8.4307 -8.4307 -8.2273 -8.2273 -8.2228 -8.2228 -3.8332 -3.8332 -3.8305 -3.8305 -3.5517 -3.5517 -3.5515 -3.5515 -2.4743 -2.4743 -2.4678 -2.4678 -1.9425 -1.9425 -1.9422 -1.9422 -1.6482 -1.6482 -1.6481 -1.6481 -0.6434 -0.6434 -0.6314 -0.6314 0.3230 0.3230 0.3565 0.3565 1.2950 1.2950 1.3276 1.3276 1.9167 1.9167 1.9680 1.9680 2.4180 2.4180 2.4764 2.4764 3.0440 3.0440 3.1276 3.1276 5.5010 5.5010 5.5811 5.5811 7.8861 7.8861 7.9907 7.9907 9.1492 9.1492 k =-0.5000 0.3163 0.1189 ( 7800 PWs) bands (ev): -8.4352 -8.4352 -8.4298 -8.4298 -8.2285 -8.2285 -8.2217 -8.2217 -3.8339 -3.8339 -3.8299 -3.8299 -3.5517 -3.5517 -3.5515 -3.5515 -2.4759 -2.4759 -2.4663 -2.4663 -1.9427 -1.9427 -1.9422 -1.9422 -1.6483 -1.6483 -1.6480 -1.6480 -0.6470 -0.6470 -0.6292 -0.6292 0.3198 0.3198 0.3694 0.3694 1.2804 1.2804 1.3272 1.3272 1.9033 1.9033 1.9807 1.9807 2.4064 2.4064 2.4932 2.4932 3.0297 3.0297 3.1521 3.1521 5.4739 5.4739 5.5916 5.5916 7.8702 7.8702 8.0244 8.0244 9.1154 9.1154 k =-0.5000 0.3163 0.1057 ( 7794 PWs) bands (ev): -8.4360 -8.4360 -8.4290 -8.4290 -8.2295 -8.2295 -8.2207 -8.2207 -3.8345 -3.8345 -3.8293 -3.8293 -3.5518 -3.5518 -3.5514 -3.5514 -2.4773 -2.4773 -2.4648 -2.4648 -1.9428 -1.9428 -1.9423 -1.9423 -1.6483 -1.6483 -1.6480 -1.6480 -0.6505 -0.6505 -0.6275 -0.6275 0.3186 0.3186 0.3835 0.3835 1.2644 1.2644 1.3233 1.3233 1.8900 1.8900 1.9938 1.9938 2.3954 2.3954 2.5100 2.5100 3.0189 3.0189 3.1766 3.1766 5.4457 5.4457 5.5981 5.5981 7.8587 7.8587 8.0592 8.0592 9.0802 9.0802 k =-0.5000 0.3163 0.0925 ( 7796 PWs) bands (ev): -8.4368 -8.4368 -8.4282 -8.4282 -8.2305 -8.2305 -8.2198 -8.2198 -3.8350 -3.8350 -3.8287 -3.8287 -3.5518 -3.5518 -3.5514 -3.5514 -2.4787 -2.4787 -2.4634 -2.4634 -1.9430 -1.9430 -1.9423 -1.9423 -1.6483 -1.6483 -1.6480 -1.6480 -0.6540 -0.6540 -0.6262 -0.6262 0.3191 0.3191 0.3982 0.3982 1.2479 1.2479 1.3163 1.3163 1.8770 1.8770 2.0075 2.0075 2.3846 2.3846 2.5263 2.5263 3.0117 3.0117 3.2004 3.2004 5.4174 5.4174 5.6010 5.6010 7.8511 7.8511 8.0938 8.0938 9.0472 9.0472 k =-0.5000 0.3163 0.0792 ( 7786 PWs) bands (ev): -8.4374 -8.4374 -8.4274 -8.4274 -8.2314 -8.2314 -8.2189 -8.2189 -3.8355 -3.8355 -3.8281 -3.8281 -3.5518 -3.5518 -3.5514 -3.5514 -2.4799 -2.4799 -2.4622 -2.4622 -1.9432 -1.9432 -1.9424 -1.9424 -1.6484 -1.6484 -1.6480 -1.6480 -0.6572 -0.6572 -0.6252 -0.6252 0.3210 0.3210 0.4130 0.4130 1.2317 1.2317 1.3070 1.3070 1.8647 1.8647 2.0217 2.0217 2.3733 2.3733 2.5415 2.5415 3.0076 3.0076 3.2228 3.2228 5.3901 5.3901 5.6011 5.6011 7.8466 7.8466 8.1271 8.1271 9.0175 9.0175 k =-0.5000 0.3163 0.0660 ( 7768 PWs) bands (ev): -8.4380 -8.4380 -8.4267 -8.4267 -8.2322 -8.2322 -8.2182 -8.2182 -3.8359 -3.8359 -3.8276 -3.8276 -3.5519 -3.5519 -3.5514 -3.5514 -2.4810 -2.4810 -2.4611 -2.4611 -1.9434 -1.9434 -1.9425 -1.9425 -1.6484 -1.6484 -1.6479 -1.6479 -0.6602 -0.6602 -0.6245 -0.6245 0.3239 0.3239 0.4271 0.4271 1.2167 1.2167 1.2963 1.2963 1.8535 1.8535 2.0363 2.0363 2.3617 2.3617 2.5553 2.5553 3.0062 3.0062 3.2433 3.2433 5.3649 5.3649 5.5990 5.5990 7.8447 7.8447 8.1579 8.1579 8.9918 8.9918 k =-0.5000 0.3163 0.0528 ( 7770 PWs) bands (ev): -8.4385 -8.4385 -8.4262 -8.4262 -8.2329 -8.2329 -8.2176 -8.2176 -3.8363 -3.8363 -3.8272 -3.8272 -3.5519 -3.5519 -3.5513 -3.5513 -2.4819 -2.4819 -2.4602 -2.4602 -1.9435 -1.9435 -1.9426 -1.9426 -1.6484 -1.6484 -1.6479 -1.6479 -0.6628 -0.6628 -0.6240 -0.6240 0.3272 0.3272 0.4400 0.4400 1.2034 1.2034 1.2852 1.2852 1.8438 1.8438 2.0506 2.0506 2.3498 2.3498 2.5673 2.5673 3.0066 3.0066 3.2610 3.2610 5.3427 5.3427 5.5957 5.5957 7.8445 7.8445 8.1848 8.1848 8.9706 8.9706 k =-0.5000 0.3163 0.0396 ( 7778 PWs) bands (ev): -8.4389 -8.4389 -8.4258 -8.4258 -8.2335 -8.2335 -8.2171 -8.2171 -3.8366 -3.8366 -3.8269 -3.8269 -3.5519 -3.5519 -3.5513 -3.5513 -2.4826 -2.4826 -2.4594 -2.4594 -1.9436 -1.9436 -1.9426 -1.9426 -1.6484 -1.6484 -1.6479 -1.6479 -0.6648 -0.6648 -0.6238 -0.6238 0.3304 0.3304 0.4509 0.4509 1.1925 1.1925 1.2748 1.2748 1.8359 1.8359 2.0637 2.0637 2.3386 2.3386 2.5770 2.5770 3.0081 3.0081 3.2755 3.2755 5.3244 5.3244 5.5920 5.5920 7.8452 7.8452 8.2069 8.2069 8.9540 8.9540 k =-0.5000 0.3163 0.0264 ( 7792 PWs) bands (ev): -8.4392 -8.4392 -8.4254 -8.4254 -8.2339 -8.2339 -8.2168 -8.2168 -3.8368 -3.8368 -3.8267 -3.8267 -3.5519 -3.5519 -3.5513 -3.5513 -2.4831 -2.4831 -2.4589 -2.4589 -1.9437 -1.9437 -1.9427 -1.9427 -1.6485 -1.6485 -1.6479 -1.6479 -0.6664 -0.6664 -0.6236 -0.6236 0.3332 0.3332 0.4592 0.4592 1.1845 1.1845 1.2664 1.2664 1.8301 1.8301 2.0746 2.0746 2.3290 2.3290 2.5842 2.5842 3.0099 3.0099 3.2862 3.2862 5.3108 5.3108 5.5888 5.5888 7.8463 7.8463 8.2234 8.2234 8.9421 8.9421 k =-0.5000 0.3163 0.0132 ( 7776 PWs) bands (ev): -8.4393 -8.4393 -8.4252 -8.4252 -8.2341 -8.2341 -8.2166 -8.2166 -3.8369 -3.8369 -3.8265 -3.8265 -3.5519 -3.5519 -3.5513 -3.5513 -2.4835 -2.4835 -2.4586 -2.4586 -1.9438 -1.9438 -1.9428 -1.9428 -1.6485 -1.6485 -1.6479 -1.6479 -0.6673 -0.6673 -0.6236 -0.6236 0.3350 0.3350 0.4644 0.4644 1.1797 1.1797 1.2609 1.2609 1.8266 1.8266 2.0819 2.0819 2.3225 2.3225 2.5887 2.5887 3.0112 3.0112 3.2928 3.2928 5.3023 5.3023 5.5866 5.5866 7.8471 7.8471 8.2335 8.2335 8.9350 8.9350 k =-0.5000 0.3163 0.0000 ( 7788 PWs) bands (ev): -8.4394 -8.4394 -8.4252 -8.4252 -8.2342 -8.2342 -8.2165 -8.2165 -3.8369 -3.8369 -3.8265 -3.8265 -3.5520 -3.5520 -3.5513 -3.5513 -2.4836 -2.4836 -2.4585 -2.4585 -1.9438 -1.9438 -1.9428 -1.9428 -1.6485 -1.6485 -1.6479 -1.6479 -0.6676 -0.6676 -0.6235 -0.6235 0.3356 0.3356 0.4662 0.4662 1.1780 1.1780 1.2590 1.2590 1.8254 1.8254 2.0845 2.0845 2.3202 2.3202 2.5902 2.5902 3.0117 3.0117 3.2950 3.2950 5.2995 5.2995 5.5858 5.5858 7.8474 7.8474 8.2369 8.2369 8.9326 8.9326 k = 0.0000 0.0000 0.1585 ( 7814 PWs) bands (ev): -8.8822 -8.8822 -8.8822 -8.8822 -8.2839 -8.2839 -8.2839 -8.2839 -4.0091 -4.0091 -4.0091 -4.0091 -3.5803 -3.5803 -3.5803 -3.5803 -2.5386 -2.5386 -2.5386 -2.5386 -2.0289 -2.0289 -2.0289 -2.0289 -1.6511 -1.6511 -1.6511 -1.6511 -0.4257 -0.4257 -0.4257 -0.4257 1.3570 1.3570 1.3570 1.3570 2.5762 2.5762 2.5762 2.5762 2.7007 2.7007 2.7007 2.7007 3.1660 3.1660 3.1660 3.1660 3.4468 3.4468 3.4468 3.4468 6.0361 6.0361 6.0361 6.0361 7.3298 7.3298 7.3298 7.3298 8.5882 8.5882 k =-0.0116 0.0074 0.1585 ( 7814 PWs) bands (ev): -8.8817 -8.8817 -8.8817 -8.8817 -8.2839 -8.2839 -8.2839 -8.2839 -4.0089 -4.0089 -4.0089 -4.0089 -3.5803 -3.5803 -3.5802 -3.5802 -2.5384 -2.5384 -2.5383 -2.5383 -2.0287 -2.0287 -2.0287 -2.0287 -1.6512 -1.6512 -1.6512 -1.6512 -0.4259 -0.4259 -0.4258 -0.4258 1.3553 1.3553 1.3556 1.3556 2.5736 2.5736 2.5762 2.5762 2.6976 2.6976 2.6999 2.6999 3.1645 3.1645 3.1665 3.1665 3.4427 3.4427 3.4449 3.4449 6.0378 6.0378 6.0381 6.0381 7.3336 7.3336 7.3336 7.3336 8.5909 8.5909 k =-0.0233 0.0147 0.1585 ( 7818 PWs) bands (ev): -8.8801 -8.8801 -8.8801 -8.8801 -8.2836 -8.2836 -8.2836 -8.2836 -4.0083 -4.0083 -4.0082 -4.0082 -3.5801 -3.5801 -3.5801 -3.5801 -2.5378 -2.5378 -2.5377 -2.5377 -2.0283 -2.0283 -2.0283 -2.0283 -1.6514 -1.6514 -1.6514 -1.6514 -0.4265 -0.4265 -0.4264 -0.4264 1.3506 1.3506 1.3513 1.3513 2.5683 2.5683 2.5739 2.5739 2.6903 2.6903 2.6953 2.6953 3.1619 3.1619 3.1662 3.1662 3.4326 3.4326 3.4371 3.4371 6.0432 6.0432 6.0438 6.0438 7.3450 7.3450 7.3451 7.3451 8.5993 8.5993 k =-0.0349 0.0221 0.1585 ( 7820 PWs) bands (ev): -8.8775 -8.8775 -8.8775 -8.8775 -8.2832 -8.2832 -8.2831 -8.2831 -4.0072 -4.0072 -4.0071 -4.0071 -3.5799 -3.5799 -3.5798 -3.5798 -2.5368 -2.5368 -2.5366 -2.5366 -2.0276 -2.0276 -2.0275 -2.0275 -1.6517 -1.6517 -1.6517 -1.6517 -0.4275 -0.4275 -0.4273 -0.4273 1.3429 1.3429 1.3439 1.3439 2.5598 2.5598 2.5691 2.5691 2.6791 2.6791 2.6878 2.6878 3.1578 3.1578 3.1651 3.1651 3.4168 3.4168 3.4240 3.4240 6.0519 6.0519 6.0528 6.0528 7.3638 7.3638 7.3639 7.3639 8.6132 8.6132 k =-0.0465 0.0294 0.1585 ( 7818 PWs) bands (ev): -8.8738 -8.8738 -8.8738 -8.8738 -8.2826 -8.2826 -8.2825 -8.2825 -4.0056 -4.0056 -4.0055 -4.0055 -3.5795 -3.5795 -3.5795 -3.5795 -2.5354 -2.5354 -2.5351 -2.5351 -2.0266 -2.0266 -2.0265 -2.0265 -1.6521 -1.6521 -1.6521 -1.6521 -0.4289 -0.4289 -0.4285 -0.4285 1.3324 1.3324 1.3337 1.3337 2.5476 2.5476 2.5616 2.5616 2.6643 2.6643 2.6779 2.6779 3.1518 3.1518 3.1629 3.1629 3.3959 3.3959 3.4063 3.4063 6.0634 6.0634 6.0646 6.0646 7.3896 7.3896 7.3898 7.3898 8.6325 8.6325 k =-0.0581 0.0368 0.1585 ( 7808 PWs) bands (ev): -8.8691 -8.8691 -8.8691 -8.8691 -8.2818 -8.2818 -8.2817 -8.2817 -4.0036 -4.0036 -4.0035 -4.0035 -3.5791 -3.5791 -3.5790 -3.5790 -2.5336 -2.5336 -2.5332 -2.5332 -2.0253 -2.0253 -2.0253 -2.0253 -1.6527 -1.6527 -1.6527 -1.6527 -0.4307 -0.4307 -0.4303 -0.4303 1.3190 1.3190 1.3207 1.3207 2.5311 2.5311 2.5508 2.5508 2.6467 2.6467 2.6667 2.6667 3.1432 3.1432 3.1594 3.1594 3.3706 3.3706 3.3851 3.3851 6.0772 6.0772 6.0785 6.0785 7.4221 7.4221 7.4222 7.4222 8.6569 8.6569 k =-0.0698 0.0441 0.1585 ( 7800 PWs) bands (ev): -8.8634 -8.8634 -8.8633 -8.8633 -8.2808 -8.2808 -8.2808 -8.2808 -4.0012 -4.0012 -4.0011 -4.0011 -3.5786 -3.5786 -3.5785 -3.5785 -2.5314 -2.5314 -2.5309 -2.5309 -2.0238 -2.0238 -2.0237 -2.0237 -1.6533 -1.6533 -1.6533 -1.6533 -0.4330 -0.4330 -0.4324 -0.4324 1.3030 1.3030 1.3051 1.3051 2.5100 2.5100 2.5359 2.5359 2.6277 2.6277 2.6550 2.6550 3.1313 3.1313 3.1541 3.1541 3.3422 3.3422 3.3618 3.3618 6.0923 6.0923 6.0939 6.0939 7.4605 7.4605 7.4606 7.4606 8.6861 8.6861 k =-0.0814 0.0515 0.1585 ( 7804 PWs) bands (ev): -8.8567 -8.8567 -8.8566 -8.8566 -8.2797 -8.2797 -8.2797 -8.2797 -3.9984 -3.9984 -3.9982 -3.9982 -3.5779 -3.5779 -3.5779 -3.5779 -2.5288 -2.5288 -2.5283 -2.5283 -2.0220 -2.0220 -2.0219 -2.0219 -1.6541 -1.6541 -1.6541 -1.6541 -0.4357 -0.4357 -0.4351 -0.4351 1.2845 1.2845 1.2870 1.2870 2.4839 2.4839 2.5154 2.5154 2.6088 2.6088 2.6434 2.6434 3.1150 3.1150 3.1461 3.1461 3.3122 3.3122 3.3380 3.3380 6.1079 6.1079 6.1097 6.1097 7.5040 7.5040 7.5044 7.5044 8.7198 8.7198 k =-0.0930 0.0589 0.1585 ( 7808 PWs) bands (ev): -8.8490 -8.8490 -8.8489 -8.8489 -8.2785 -8.2785 -8.2784 -8.2784 -3.9952 -3.9952 -3.9950 -3.9950 -3.5773 -3.5773 -3.5772 -3.5772 -2.5260 -2.5260 -2.5254 -2.5254 -2.0200 -2.0200 -2.0199 -2.0199 -1.6549 -1.6549 -1.6549 -1.6549 -0.4390 -0.4390 -0.4383 -0.4383 1.2637 1.2637 1.2665 1.2665 2.4529 2.4529 2.4885 2.4885 2.5913 2.5913 2.6323 2.6323 3.0934 3.0934 3.1339 3.1339 3.2827 3.2827 3.3153 3.3153 6.1233 6.1233 6.1252 6.1252 7.5521 7.5521 7.5527 7.5527 8.7574 8.7574 k =-0.1047 0.0662 0.1585 ( 7796 PWs) bands (ev): -8.8404 -8.8404 -8.8403 -8.8403 -8.2771 -8.2771 -8.2770 -8.2770 -3.9915 -3.9915 -3.9913 -3.9913 -3.5765 -3.5765 -3.5764 -3.5764 -2.5228 -2.5228 -2.5221 -2.5221 -2.0177 -2.0177 -2.0176 -2.0176 -1.6558 -1.6558 -1.6558 -1.6558 -0.4428 -0.4428 -0.4421 -0.4421 1.2408 1.2408 1.2440 1.2440 2.4173 2.4173 2.4552 2.4552 2.5756 2.5756 2.6218 2.6218 3.0660 3.0660 3.1158 3.1158 3.2563 3.2563 3.2950 3.2950 6.1374 6.1374 6.1395 6.1395 7.6037 7.6037 7.6048 7.6048 8.7984 8.7984 k =-0.1163 0.0736 0.1585 ( 7796 PWs) bands (ev): -8.8309 -8.8309 -8.8308 -8.8308 -8.2756 -8.2756 -8.2755 -8.2755 -3.9875 -3.9875 -3.9873 -3.9873 -3.5757 -3.5757 -3.5756 -3.5756 -2.5193 -2.5193 -2.5186 -2.5186 -2.0152 -2.0152 -2.0151 -2.0151 -1.6567 -1.6567 -1.6567 -1.6567 -0.4472 -0.4472 -0.4465 -0.4465 1.2161 1.2161 1.2197 1.2197 2.3775 2.3775 2.4164 2.4164 2.5613 2.5613 2.6118 2.6118 3.0328 3.0328 3.0904 3.0904 3.2351 3.2351 3.2777 3.2777 6.1495 6.1495 6.1516 6.1516 7.6579 7.6579 7.6597 7.6597 8.8423 8.8423 k =-0.1279 0.0809 0.1585 ( 7788 PWs) bands (ev): -8.8205 -8.8205 -8.8204 -8.8204 -8.2739 -8.2739 -8.2739 -8.2739 -3.9832 -3.9832 -3.9829 -3.9829 -3.5748 -3.5748 -3.5747 -3.5747 -2.5156 -2.5156 -2.5149 -2.5149 -2.0126 -2.0126 -2.0124 -2.0124 -1.6577 -1.6577 -1.6577 -1.6577 -0.4523 -0.4523 -0.4515 -0.4515 1.1898 1.1898 1.1938 1.1938 2.3340 2.3340 2.3728 2.3728 2.5476 2.5476 2.6023 2.6023 2.9945 2.9945 3.0581 3.0581 3.2194 3.2194 3.2632 3.2632 6.1588 6.1588 6.1610 6.1610 7.7140 7.7140 7.7165 7.7165 8.8883 8.8883 k =-0.1395 0.0883 0.1585 ( 7784 PWs) bands (ev): -8.8093 -8.8093 -8.8092 -8.8092 -8.2721 -8.2721 -8.2721 -8.2721 -3.9785 -3.9785 -3.9782 -3.9782 -3.5739 -3.5739 -3.5738 -3.5738 -2.5117 -2.5117 -2.5109 -2.5109 -2.0097 -2.0097 -2.0096 -2.0096 -1.6587 -1.6587 -1.6587 -1.6587 -0.4580 -0.4580 -0.4572 -0.4572 1.1622 1.1622 1.1666 1.1666 2.2873 2.2873 2.3255 2.3255 2.5340 2.5340 2.5930 2.5930 2.9523 2.9523 3.0207 3.0207 3.2080 3.2080 3.2513 3.2513 6.1647 6.1647 6.1668 6.1668 7.7707 7.7707 7.7743 7.7743 8.9356 8.9356 k =-0.1512 0.0956 0.1585 ( 7784 PWs) bands (ev): -8.7974 -8.7974 -8.7973 -8.7973 -8.2703 -8.2703 -8.2702 -8.2702 -3.9734 -3.9734 -3.9731 -3.9731 -3.5729 -3.5729 -3.5728 -3.5728 -2.5076 -2.5076 -2.5068 -2.5068 -2.0068 -2.0068 -2.0066 -2.0066 -1.6597 -1.6597 -1.6596 -1.6596 -0.4644 -0.4644 -0.4636 -0.4636 1.1335 1.1335 1.1383 1.1383 2.2378 2.2378 2.2751 2.2751 2.5201 2.5201 2.5840 2.5840 2.9074 2.9074 2.9805 2.9805 3.1994 3.1994 3.2412 3.2412 6.1666 6.1666 6.1687 6.1687 7.8273 7.8273 7.8320 7.8320 8.9834 8.9834 k =-0.1628 0.1030 0.1585 ( 7790 PWs) bands (ev): -8.7847 -8.7847 -8.7846 -8.7846 -8.2683 -8.2683 -8.2682 -8.2682 -3.9681 -3.9681 -3.9678 -3.9678 -3.5719 -3.5719 -3.5718 -3.5718 -2.5034 -2.5034 -2.5025 -2.5025 -2.0037 -2.0037 -2.0035 -2.0035 -1.6606 -1.6606 -1.6606 -1.6606 -0.4715 -0.4715 -0.4707 -0.4707 1.1042 1.1042 1.1093 1.1093 2.1861 2.1861 2.2222 2.2222 2.5056 2.5056 2.5749 2.5749 2.8607 2.8607 2.9391 2.9391 3.1926 3.1926 3.2326 3.2326 6.1643 6.1643 6.1662 6.1662 7.8826 7.8826 7.8886 7.8886 9.0306 9.0306 k =-0.1744 0.1103 0.1585 ( 7796 PWs) bands (ev): -8.7713 -8.7713 -8.7712 -8.7712 -8.2663 -8.2663 -8.2662 -8.2662 -3.9625 -3.9625 -3.9622 -3.9622 -3.5708 -3.5708 -3.5707 -3.5707 -2.4991 -2.4991 -2.4982 -2.4982 -2.0005 -2.0005 -2.0003 -2.0003 -1.6615 -1.6615 -1.6615 -1.6615 -0.4794 -0.4794 -0.4785 -0.4785 1.0743 1.0743 1.0797 1.0797 2.1326 2.1326 2.1674 2.1674 2.4900 2.4900 2.5655 2.5655 2.8133 2.8133 2.8979 2.8979 3.1869 3.1869 3.2249 3.2249 6.1575 6.1575 6.1592 6.1592 7.9357 7.9357 7.9432 7.9432 9.0758 9.0758 k =-0.1860 0.1177 0.1585 ( 7792 PWs) bands (ev): -8.7573 -8.7573 -8.7572 -8.7572 -8.2642 -8.2642 -8.2641 -8.2641 -3.9567 -3.9567 -3.9563 -3.9563 -3.5698 -3.5698 -3.5697 -3.5697 -2.4948 -2.4948 -2.4939 -2.4939 -1.9972 -1.9972 -1.9970 -1.9970 -1.6624 -1.6624 -1.6624 -1.6624 -0.4879 -0.4879 -0.4870 -0.4870 1.0441 1.0441 1.0499 1.0499 2.0778 2.0778 2.1111 2.1111 2.4730 2.4730 2.5555 2.5555 2.7663 2.7663 2.8578 2.8578 3.1818 3.1818 3.2180 3.2180 6.1464 6.1464 6.1478 6.1478 7.9856 7.9856 7.9948 7.9948 9.1183 9.1183 k =-0.1977 0.1251 0.1585 ( 7800 PWs) bands (ev): -8.7428 -8.7428 -8.7427 -8.7427 -8.2620 -8.2620 -8.2619 -8.2619 -3.9506 -3.9506 -3.9502 -3.9502 -3.5687 -3.5687 -3.5686 -3.5686 -2.4905 -2.4905 -2.4896 -2.4896 -1.9939 -1.9939 -1.9937 -1.9937 -1.6632 -1.6632 -1.6631 -1.6631 -0.4970 -0.4970 -0.4962 -0.4962 1.0138 1.0138 1.0199 1.0199 2.0222 2.0222 2.0541 2.0541 2.4543 2.4543 2.5442 2.5442 2.7206 2.7206 2.8195 2.8195 3.1772 3.1772 3.2116 3.2116 6.1310 6.1310 6.1320 6.1320 8.0316 8.0316 8.0424 8.0424 9.1573 9.1573 k =-0.2093 0.1324 0.1585 ( 7804 PWs) bands (ev): -8.7278 -8.7278 -8.7277 -8.7277 -8.2598 -8.2598 -8.2597 -8.2597 -3.9444 -3.9444 -3.9440 -3.9440 -3.5676 -3.5676 -3.5675 -3.5675 -2.4863 -2.4863 -2.4853 -2.4853 -1.9906 -1.9906 -1.9904 -1.9904 -1.6639 -1.6639 -1.6638 -1.6638 -0.5067 -0.5067 -0.5059 -0.5059 0.9835 0.9835 0.9898 0.9898 1.9663 1.9663 1.9967 1.9967 2.4337 2.4337 2.5305 2.5305 2.6777 2.6777 2.7838 2.7838 3.1728 3.1728 3.2056 3.2056 6.1116 6.1116 6.1122 6.1122 8.0727 8.0727 8.0853 8.0853 9.1922 9.1922 k =-0.2209 0.1398 0.1585 ( 7798 PWs) bands (ev): -8.7123 -8.7123 -8.7122 -8.7122 -8.2576 -8.2576 -8.2575 -8.2575 -3.9380 -3.9380 -3.9376 -3.9376 -3.5665 -3.5665 -3.5664 -3.5664 -2.4822 -2.4822 -2.4813 -2.4813 -1.9873 -1.9873 -1.9871 -1.9871 -1.6645 -1.6645 -1.6644 -1.6644 -0.5169 -0.5169 -0.5161 -0.5161 0.9534 0.9534 0.9599 0.9599 1.9106 1.9106 1.9394 1.9394 2.4110 2.4110 2.5127 2.5127 2.6396 2.6396 2.7510 2.7510 3.1685 3.1685 3.1999 3.1999 6.0886 6.0886 6.0888 6.0888 8.1084 8.1084 8.1227 8.1227 9.2225 9.2225 k =-0.2326 0.1471 0.1585 ( 7798 PWs) bands (ev): -8.6965 -8.6965 -8.6964 -8.6964 -8.2553 -8.2553 -8.2552 -8.2552 -3.9315 -3.9315 -3.9311 -3.9311 -3.5655 -3.5655 -3.5654 -3.5654 -2.4783 -2.4783 -2.4773 -2.4773 -1.9840 -1.9840 -1.9838 -1.9838 -1.6649 -1.6649 -1.6649 -1.6649 -0.5274 -0.5274 -0.5267 -0.5267 0.9234 0.9234 0.9300 0.9300 1.8555 1.8555 1.8828 1.8828 2.3861 2.3861 2.4890 2.4890 2.6084 2.6084 2.7213 2.7213 3.1644 3.1644 3.1943 3.1943 6.0623 6.0623 6.0625 6.0625 8.1381 8.1381 8.1539 8.1539 9.2482 9.2482 k =-0.2442 0.1545 0.1585 ( 7794 PWs) bands (ev): -8.6805 -8.6805 -8.6804 -8.6804 -8.2531 -8.2531 -8.2530 -8.2530 -3.9249 -3.9249 -3.9245 -3.9245 -3.5644 -3.5644 -3.5643 -3.5643 -2.4746 -2.4746 -2.4737 -2.4737 -1.9808 -1.9808 -1.9806 -1.9806 -1.6652 -1.6652 -1.6652 -1.6652 -0.5382 -0.5382 -0.5375 -0.5375 0.8935 0.8935 0.9001 0.9001 1.8016 1.8016 1.8274 1.8274 2.3592 2.3592 2.4587 2.4587 2.5850 2.5850 2.6947 2.6947 3.1602 3.1602 3.1888 3.1888 6.0331 6.0331 6.0338 6.0338 8.1615 8.1615 8.1786 8.1786 9.2692 9.2692 k =-0.2558 0.1618 0.1585 ( 7788 PWs) bands (ev): -8.6642 -8.6642 -8.6641 -8.6641 -8.2508 -8.2508 -8.2507 -8.2507 -3.9183 -3.9183 -3.9179 -3.9179 -3.5634 -3.5634 -3.5633 -3.5633 -2.4713 -2.4713 -2.4703 -2.4703 -1.9776 -1.9776 -1.9774 -1.9774 -1.6654 -1.6654 -1.6654 -1.6654 -0.5491 -0.5491 -0.5485 -0.5485 0.8637 0.8637 0.8703 0.8703 1.7494 1.7494 1.7737 1.7737 2.3306 2.3306 2.4233 2.4233 2.5678 2.5678 2.6710 2.6710 3.1561 3.1561 3.1833 3.1833 6.0019 6.0019 6.0031 6.0031 8.1785 8.1785 8.1966 8.1966 9.2857 9.2857 k =-0.2674 0.1692 0.1585 ( 7790 PWs) bands (ev): -8.6479 -8.6479 -8.6478 -8.6478 -8.2486 -8.2486 -8.2485 -8.2485 -3.9117 -3.9117 -3.9113 -3.9113 -3.5624 -3.5624 -3.5623 -3.5623 -2.4682 -2.4682 -2.4673 -2.4673 -1.9746 -1.9746 -1.9744 -1.9744 -1.6654 -1.6654 -1.6654 -1.6654 -0.5600 -0.5600 -0.5594 -0.5594 0.8338 0.8338 0.8403 0.8403 1.6993 1.6993 1.7222 1.7222 2.3008 2.3008 2.3854 2.3854 2.5546 2.5546 2.6500 2.6500 3.1519 3.1519 3.1778 3.1778 5.9693 5.9693 5.9709 5.9709 8.1891 8.1891 8.2077 8.2077 9.2980 9.2980 k =-0.2791 0.1766 0.1585 ( 7784 PWs) bands (ev): -8.6315 -8.6315 -8.6314 -8.6314 -8.2465 -8.2465 -8.2463 -8.2463 -3.9051 -3.9051 -3.9047 -3.9047 -3.5614 -3.5614 -3.5613 -3.5613 -2.4656 -2.4656 -2.4646 -2.4646 -1.9716 -1.9716 -1.9714 -1.9714 -1.6653 -1.6653 -1.6653 -1.6653 -0.5707 -0.5707 -0.5701 -0.5701 0.8038 0.8038 0.8101 0.8101 1.6518 1.6518 1.6732 1.6732 2.2703 2.2703 2.3467 2.3467 2.5438 2.5438 2.6312 2.6312 3.1476 3.1476 3.1723 3.1723 5.9356 5.9356 5.9377 5.9377 8.1936 8.1936 8.2124 8.2124 9.3066 9.3066 k =-0.2907 0.1839 0.1585 ( 7788 PWs) bands (ev): -8.6152 -8.6152 -8.6150 -8.6150 -8.2444 -8.2444 -8.2442 -8.2442 -3.8986 -3.8986 -3.8982 -3.8982 -3.5605 -3.5605 -3.5604 -3.5604 -2.4633 -2.4633 -2.4624 -2.4624 -1.9688 -1.9688 -1.9686 -1.9686 -1.6650 -1.6650 -1.6650 -1.6650 -0.5810 -0.5810 -0.5804 -0.5804 0.7734 0.7734 0.7795 0.7795 1.6073 1.6073 1.6271 1.6271 2.2394 2.2394 2.3082 2.3082 2.5344 2.5344 2.6143 2.6143 3.1432 3.1432 3.1667 3.1667 5.9016 5.9016 5.9041 5.9041 8.1924 8.1924 8.2110 8.2110 9.3118 9.3118 k =-0.3023 0.1913 0.1585 ( 7782 PWs) bands (ev): -8.5990 -8.5990 -8.5989 -8.5989 -8.2423 -8.2423 -8.2422 -8.2422 -3.8922 -3.8922 -3.8919 -3.8919 -3.5596 -3.5596 -3.5595 -3.5595 -2.4615 -2.4615 -2.4606 -2.4606 -1.9662 -1.9662 -1.9659 -1.9659 -1.6645 -1.6645 -1.6645 -1.6645 -0.5907 -0.5907 -0.5902 -0.5902 0.7427 0.7427 0.7484 0.7484 1.5661 1.5661 1.5844 1.5844 2.2088 2.2088 2.2708 2.2708 2.5257 2.5257 2.5988 2.5988 3.1388 3.1388 3.1610 3.1610 5.8676 5.8676 5.8705 5.8705 8.1861 8.1861 8.2041 8.2041 9.3142 9.3142 k =-0.3140 0.1986 0.1585 ( 7786 PWs) bands (ev): -8.5831 -8.5831 -8.5829 -8.5829 -8.2404 -8.2404 -8.2402 -8.2402 -3.8860 -3.8860 -3.8857 -3.8857 -3.5587 -3.5587 -3.5586 -3.5586 -2.4601 -2.4601 -2.4592 -2.4592 -1.9636 -1.9636 -1.9634 -1.9634 -1.6639 -1.6639 -1.6639 -1.6639 -0.5998 -0.5998 -0.5993 -0.5993 0.7114 0.7114 0.7167 0.7167 1.5284 1.5284 1.5453 1.5453 2.1789 2.1789 2.2347 2.2347 2.5176 2.5176 2.5845 2.5845 3.1342 3.1342 3.1553 3.1553 5.8342 5.8342 5.8374 5.8374 8.1754 8.1754 8.1925 8.1925 9.3140 9.3140 k =-0.3256 0.2060 0.1585 ( 7792 PWs) bands (ev): -8.5675 -8.5675 -8.5673 -8.5673 -8.2385 -8.2385 -8.2384 -8.2384 -3.8800 -3.8800 -3.8797 -3.8797 -3.5579 -3.5579 -3.5578 -3.5578 -2.4592 -2.4592 -2.4584 -2.4584 -1.9612 -1.9612 -1.9610 -1.9610 -1.6631 -1.6631 -1.6631 -1.6631 -0.6080 -0.6080 -0.6076 -0.6076 0.6797 0.6797 0.6845 0.6845 1.4944 1.4944 1.5098 1.5098 2.1499 2.1499 2.2004 2.2004 2.5097 2.5097 2.5712 2.5712 3.1295 3.1295 3.1494 3.1494 5.8016 5.8016 5.8051 5.8051 8.1611 8.1611 8.1769 8.1769 9.3116 9.3116 k =-0.3372 0.2133 0.1585 ( 7790 PWs) bands (ev): -8.5523 -8.5523 -8.5522 -8.5522 -8.2367 -8.2367 -8.2366 -8.2366 -3.8742 -3.8742 -3.8739 -3.8739 -3.5571 -3.5571 -3.5571 -3.5571 -2.4587 -2.4587 -2.4579 -2.4579 -1.9589 -1.9589 -1.9587 -1.9587 -1.6622 -1.6622 -1.6622 -1.6622 -0.6154 -0.6154 -0.6149 -0.6149 0.6475 0.6475 0.6518 0.6518 1.4641 1.4641 1.4781 1.4781 2.1222 2.1222 2.1679 2.1679 2.5021 2.5021 2.5586 2.5586 3.1247 3.1247 3.1434 3.1434 5.7702 5.7702 5.7739 5.7739 8.1438 8.1438 8.1583 8.1583 9.3074 9.3074 k =-0.3488 0.2207 0.1585 ( 7804 PWs) bands (ev): -8.5377 -8.5377 -8.5375 -8.5375 -8.2351 -8.2351 -8.2350 -8.2350 -3.8687 -3.8687 -3.8684 -3.8684 -3.5564 -3.5564 -3.5563 -3.5563 -2.4587 -2.4587 -2.4579 -2.4579 -1.9568 -1.9568 -1.9566 -1.9566 -1.6611 -1.6611 -1.6611 -1.6611 -0.6218 -0.6218 -0.6213 -0.6213 0.6151 0.6151 0.6189 0.6189 1.4375 1.4375 1.4501 1.4501 2.0961 2.0961 2.1375 2.1375 2.4947 2.4947 2.5466 2.5466 3.1199 3.1199 3.1374 3.1374 5.7403 5.7403 5.7442 5.7442 8.1243 8.1243 8.1374 8.1374 9.3014 9.3014 k =-0.3605 0.2281 0.1585 ( 7802 PWs) bands (ev): -8.5236 -8.5236 -8.5235 -8.5235 -8.2335 -8.2335 -8.2334 -8.2334 -3.8635 -3.8635 -3.8632 -3.8632 -3.5557 -3.5557 -3.5556 -3.5556 -2.4590 -2.4590 -2.4583 -2.4583 -1.9548 -1.9548 -1.9546 -1.9546 -1.6599 -1.6599 -1.6599 -1.6599 -0.6271 -0.6271 -0.6267 -0.6267 0.5827 0.5827 0.5859 0.5859 1.4144 1.4144 1.4257 1.4257 2.0718 2.0718 2.1092 2.1092 2.4876 2.4876 2.5351 2.5351 3.1150 3.1150 3.1313 3.1313 5.7122 5.7122 5.7162 5.7162 8.1034 8.1034 8.1150 8.1150 9.2940 9.2940 k =-0.3721 0.2354 0.1585 ( 7808 PWs) bands (ev): -8.5103 -8.5103 -8.5102 -8.5102 -8.2321 -8.2321 -8.2320 -8.2320 -3.8587 -3.8587 -3.8584 -3.8584 -3.5551 -3.5551 -3.5550 -3.5550 -2.4598 -2.4598 -2.4591 -2.4591 -1.9529 -1.9529 -1.9527 -1.9527 -1.6587 -1.6587 -1.6586 -1.6586 -0.6314 -0.6314 -0.6310 -0.6310 0.5506 0.5506 0.5533 0.5533 1.3947 1.3947 1.4046 1.4046 2.0493 2.0493 2.0831 2.0831 2.4806 2.4806 2.5241 2.5241 3.1103 3.1103 3.1253 3.1253 5.6860 5.6860 5.6900 5.6900 8.0817 8.0817 8.0918 8.0918 9.2852 9.2852 k =-0.3837 0.2428 0.1585 ( 7798 PWs) bands (ev): -8.4977 -8.4977 -8.4976 -8.4976 -8.2308 -8.2308 -8.2307 -8.2307 -3.8542 -3.8542 -3.8539 -3.8539 -3.5545 -3.5545 -3.5544 -3.5544 -2.4607 -2.4607 -2.4601 -2.4601 -1.9512 -1.9512 -1.9510 -1.9510 -1.6573 -1.6573 -1.6573 -1.6573 -0.6347 -0.6347 -0.6343 -0.6343 0.5191 0.5191 0.5214 0.5214 1.3779 1.3779 1.3866 1.3866 2.0289 2.0289 2.0594 2.0594 2.4740 2.4740 2.5135 2.5135 3.1056 3.1056 3.1194 3.1194 5.6619 5.6619 5.6659 5.6659 8.0599 8.0599 8.0686 8.0686 9.2752 9.2752 k =-0.3953 0.2501 0.1585 ( 7798 PWs) bands (ev): -8.4861 -8.4861 -8.4859 -8.4859 -8.2297 -8.2297 -8.2296 -8.2296 -3.8500 -3.8500 -3.8498 -3.8498 -3.5540 -3.5540 -3.5539 -3.5539 -2.4620 -2.4620 -2.4614 -2.4614 -1.9496 -1.9496 -1.9494 -1.9494 -1.6560 -1.6560 -1.6560 -1.6560 -0.6370 -0.6370 -0.6366 -0.6366 0.4888 0.4888 0.4906 0.4906 1.3638 1.3638 1.3715 1.3715 2.0107 2.0107 2.0379 2.0379 2.4678 2.4678 2.5034 2.5034 3.1012 3.1012 3.1137 3.1137 5.6400 5.6400 5.6438 5.6438 8.0385 8.0385 8.0459 8.0459 9.2641 9.2641 k =-0.4070 0.2575 0.1585 ( 7792 PWs) bands (ev): -8.4754 -8.4754 -8.4753 -8.4753 -8.2287 -8.2287 -8.2286 -8.2286 -3.8463 -3.8463 -3.8461 -3.8461 -3.5535 -3.5535 -3.5534 -3.5534 -2.4633 -2.4633 -2.4628 -2.4628 -1.9481 -1.9481 -1.9479 -1.9479 -1.6546 -1.6546 -1.6546 -1.6546 -0.6384 -0.6384 -0.6381 -0.6381 0.4600 0.4600 0.4615 0.4615 1.3522 1.3522 1.3588 1.3588 1.9946 1.9946 2.0188 2.0188 2.4620 2.4620 2.4938 2.4938 3.0970 3.0970 3.1082 3.1082 5.6204 5.6204 5.6240 5.6240 8.0180 8.0180 8.0243 8.0243 9.2521 9.2521 k =-0.4186 0.2648 0.1585 ( 7796 PWs) bands (ev): -8.4657 -8.4657 -8.4656 -8.4656 -8.2278 -8.2278 -8.2277 -8.2277 -3.8430 -3.8430 -3.8428 -3.8428 -3.5530 -3.5530 -3.5530 -3.5530 -2.4648 -2.4648 -2.4643 -2.4643 -1.9468 -1.9468 -1.9467 -1.9467 -1.6533 -1.6533 -1.6533 -1.6533 -0.6392 -0.6392 -0.6389 -0.6389 0.4332 0.4332 0.4343 0.4343 1.3427 1.3427 1.3483 1.3483 1.9808 1.9808 2.0019 2.0019 2.4568 2.4568 2.4848 2.4848 3.0931 3.0931 3.1030 3.1030 5.6031 5.6031 5.6064 5.6064 7.9989 7.9989 8.0041 8.0041 9.2396 9.2396 k =-0.4302 0.2722 0.1585 ( 7808 PWs) bands (ev): -8.4572 -8.4572 -8.4571 -8.4571 -8.2270 -8.2270 -8.2270 -8.2270 -3.8401 -3.8401 -3.8399 -3.8399 -3.5527 -3.5527 -3.5526 -3.5526 -2.4662 -2.4662 -2.4658 -2.4658 -1.9457 -1.9457 -1.9455 -1.9455 -1.6521 -1.6521 -1.6521 -1.6521 -0.6393 -0.6393 -0.6391 -0.6391 0.4089 0.4089 0.4098 0.4098 1.3351 1.3351 1.3398 1.3398 1.9691 1.9691 1.9872 1.9872 2.4522 2.4522 2.4764 2.4764 3.0897 3.0897 3.0982 3.0982 5.5882 5.5882 5.5912 5.5912 7.9816 7.9816 7.9858 7.9858 9.2272 9.2319 k =-0.4419 0.2796 0.1585 ( 7808 PWs) bands (ev): -8.4498 -8.4498 -8.4497 -8.4497 -8.2264 -8.2264 -8.2263 -8.2263 -3.8376 -3.8376 -3.8375 -3.8375 -3.5523 -3.5523 -3.5523 -3.5523 -2.4676 -2.4676 -2.4672 -2.4672 -1.9447 -1.9447 -1.9445 -1.9445 -1.6510 -1.6510 -1.6510 -1.6510 -0.6391 -0.6391 -0.6388 -0.6388 0.3874 0.3874 0.3881 0.3881 1.3290 1.3290 1.3329 1.3329 1.9596 1.9596 1.9747 1.9747 2.4485 2.4485 2.4687 2.4687 3.0868 3.0868 3.0939 3.0939 5.5756 5.5756 5.5782 5.5782 7.9665 7.9665 7.9698 7.9698 9.2153 9.2154 k =-0.4535 0.2869 0.1585 ( 7812 PWs) bands (ev): -8.4437 -8.4437 -8.4436 -8.4436 -8.2259 -8.2259 -8.2259 -8.2259 -3.8356 -3.8356 -3.8355 -3.8355 -3.5521 -3.5521 -3.5521 -3.5521 -2.4688 -2.4688 -2.4685 -2.4685 -1.9438 -1.9438 -1.9437 -1.9437 -1.6500 -1.6500 -1.6500 -1.6500 -0.6385 -0.6385 -0.6384 -0.6384 0.3693 0.3693 0.3698 0.3698 1.3244 1.3244 1.3275 1.3275 1.9522 1.9522 1.9644 1.9644 2.4456 2.4456 2.4619 2.4619 3.0844 3.0844 3.0901 3.0901 5.5654 5.5654 5.5676 5.5676 7.9537 7.9537 7.9563 7.9563 9.2048 9.2053 k =-0.4651 0.2943 0.1585 ( 7812 PWs) bands (ev): -8.4389 -8.4389 -8.4388 -8.4388 -8.2255 -8.2255 -8.2255 -8.2255 -3.8340 -3.8340 -3.8339 -3.8339 -3.5519 -3.5519 -3.5518 -3.5518 -2.4698 -2.4698 -2.4696 -2.4696 -1.9432 -1.9432 -1.9431 -1.9431 -1.6492 -1.6492 -1.6492 -1.6492 -0.6379 -0.6379 -0.6378 -0.6378 0.3548 0.3548 0.3551 0.3551 1.3211 1.3211 1.3233 1.3233 1.9469 1.9469 1.9560 1.9560 2.4438 2.4438 2.4561 2.4561 3.0827 3.0827 3.0870 3.0870 5.5576 5.5576 5.5592 5.5592 7.9436 7.9436 7.9455 7.9455 9.1962 9.1978 k =-0.4767 0.3016 0.1585 ( 7806 PWs) bands (ev): -8.4354 -8.4354 -8.4354 -8.4354 -8.2253 -8.2253 -8.2252 -8.2252 -3.8328 -3.8328 -3.8328 -3.8328 -3.5517 -3.5517 -3.5517 -3.5517 -2.4705 -2.4705 -2.4704 -2.4704 -1.9427 -1.9427 -1.9426 -1.9426 -1.6486 -1.6486 -1.6486 -1.6486 -0.6373 -0.6373 -0.6372 -0.6372 0.3442 0.3442 0.3444 0.3444 1.3189 1.3189 1.3204 1.3204 1.9436 1.9436 1.9497 1.9497 2.4430 2.4430 2.4512 2.4512 3.0816 3.0816 3.0845 3.0845 5.5521 5.5521 5.5532 5.5532 7.9364 7.9364 7.9376 7.9376 9.1899 9.1903 k =-0.4884 0.3090 0.1585 ( 7808 PWs) bands (ev): -8.4333 -8.4333 -8.4333 -8.4333 -8.2251 -8.2251 -8.2251 -8.2251 -3.8322 -3.8322 -3.8321 -3.8321 -3.5516 -3.5516 -3.5516 -3.5516 -2.4710 -2.4710 -2.4709 -2.4709 -1.9424 -1.9424 -1.9424 -1.9424 -1.6483 -1.6483 -1.6483 -1.6483 -0.6369 -0.6369 -0.6369 -0.6369 0.3378 0.3378 0.3379 0.3379 1.3178 1.3178 1.3185 1.3185 1.9423 1.9423 1.9453 1.9453 2.4433 2.4433 2.4474 2.4474 3.0812 3.0812 3.0827 3.0827 5.5489 5.5489 5.5495 5.5495 7.9321 7.9321 7.9327 7.9327 9.1859 9.1862 k =-0.5000 0.3163 0.1585 ( 7824 PWs) bands (ev): -8.4326 -8.4326 -8.4326 -8.4326 -8.2250 -8.2250 -8.2250 -8.2250 -3.8319 -3.8319 -3.8319 -3.8319 -3.5516 -3.5516 -3.5516 -3.5516 -2.4711 -2.4711 -2.4711 -2.4711 -1.9423 -1.9423 -1.9423 -1.9423 -1.6482 -1.6482 -1.6482 -1.6482 -0.6368 -0.6368 -0.6368 -0.6368 0.3357 0.3357 0.3357 0.3357 1.3176 1.3176 1.3176 1.3176 1.9428 1.9428 1.9428 1.9428 2.4448 2.4448 2.4448 2.4448 3.0816 3.0816 3.0816 3.0816 5.5480 5.5480 5.5480 5.5480 7.9308 7.9308 7.9308 7.9308 9.1847 9.1847 Writing output data file HgI2.save init_run : 3.13s CPU 13.18s WALL ( 1 calls) electrons : 1949.54s CPU 1973.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 1949.50s CPU 1972.69s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.17s CPU 0.55s WALL ( 1 calls) newd : 1.14s CPU 1.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.20s WALL ( 334 calls) cegterg : 1702.66s CPU 1712.50s WALL ( 821 calls) Called by sum_band: Called by *egterg: h_psi : 784.65s CPU 796.14s WALL ( 15788 calls) s_psi : 104.60s CPU 105.05s WALL ( 15788 calls) g_psi : 2.38s CPU 2.51s WALL ( 14633 calls) cdiaghg : 543.79s CPU 540.77s WALL ( 14967 calls) cegterg:over : 150.83s CPU 148.21s WALL ( 14633 calls) cegterg:upda : 55.19s CPU 59.44s WALL ( 14633 calls) cegterg:last : 45.41s CPU 46.51s WALL ( 2838 calls) Called by h_psi: h_psi:vloc : 587.03s CPU 595.14s WALL ( 15788 calls) h_psi:vnl : 196.31s CPU 198.52s WALL ( 15788 calls) add_vuspsi : 81.03s CPU 86.14s WALL ( 15788 calls) General routines calbec : 115.20s CPU 112.20s WALL ( 15788 calls) fft : 0.28s CPU 1.43s WALL ( 19 calls) ffts : 0.01s CPU 0.08s WALL ( 4 calls) fftw : 543.83s CPU 549.45s WALL ( 2124668 calls) interpolate : 0.03s CPU 0.10s WALL ( 4 calls) davcio : 0.06s CPU 15.84s WALL ( 668 calls) Parallel routines fft_scatter : 351.69s CPU 349.95s WALL ( 2124691 calls) PWSCF : 35m32.10s CPU 42m36.10s WALL This run was terminated on: 6:27: 7 21Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=