Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YGe2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 48 14 1477 687 115 Max 80 49 15 1480 707 117 Sum 2865 1735 523 53227 25047 4177 bravais-lattice index = 14 lattice parameter (alat) = 14.0207 a.u. unit-cell volume = 761.0267 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.020687 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.850280 celldm(5)= -0.850280 celldm(6)= 0.700559 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.700559 0.713594 0.000000 ) a(3) = ( -0.850280 -0.356797 0.386937 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.981733 1.292199 ) b(2) = ( 0.000000 1.401356 1.292199 ) b(3) = ( 0.000000 0.000000 2.584398 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Ge 4.00 72.64000 Ge( 1.00) Y 11.00 88.90590 Y( 1.00) 4 Sym. Ops., with inversion, found ( 3 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.1497205 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3567972 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.3502795 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3567972 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0234945), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0469891), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0704836), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0939781), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.1174727), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.1409672), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.1644617), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.1879562), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.2114508), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.2349453), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.2584398), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.2819344), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.3054289), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.3289234), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.3524179), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.3759125), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.3994070), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.4229015), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.4463960), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.4698906), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.4933851), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.5168796), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.5403742), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.5638687), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.5873632), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.6108578), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.6343523), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.6578468), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.6813413), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.7048359), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.7283304), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.7518249), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.7753195), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.7988140), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.8223085), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.8458031), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.8692976), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.8927921), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.9162866), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.9397812), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.9632757), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.9867702), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 1.0102647), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 1.0337593), wk = 0.0029851 k( 46) = ( 0.0000000 0.0000000 1.0572538), wk = 0.0029851 k( 47) = ( 0.0000000 0.0000000 1.0807483), wk = 0.0029851 k( 48) = ( 0.0000000 0.0000000 1.1042429), wk = 0.0029851 k( 49) = ( 0.0000000 0.0000000 1.1277374), wk = 0.0029851 k( 50) = ( 0.0000000 0.0000000 1.1512319), wk = 0.0029851 k( 51) = ( 0.0000000 0.0000000 1.1747264), wk = 0.0029851 k( 52) = ( 0.0000000 0.0000000 1.1982210), wk = 0.0029851 k( 53) = ( 0.0000000 0.0000000 1.2217155), wk = 0.0029851 k( 54) = ( 0.0000000 0.0000000 1.2452100), wk = 0.0029851 k( 55) = ( 0.0000000 0.0000000 1.2687046), wk = 0.0029851 k( 56) = ( 0.0000000 0.0000000 1.2921991), wk = 0.0029851 k( 57) = ( 0.0000000 0.0000000 1.2921991), wk = 0.0029851 k( 58) = ( -0.0088042 0.0209812 1.2921991), wk = 0.0029851 k( 59) = ( -0.0176084 0.0419623 1.2921991), wk = 0.0029851 k( 60) = ( -0.0264126 0.0629435 1.2921991), wk = 0.0029851 k( 61) = ( -0.0352168 0.0839247 1.2921991), wk = 0.0029851 k( 62) = ( -0.0440210 0.1049058 1.2921991), wk = 0.0029851 k( 63) = ( -0.0440210 0.1049058 1.2921991), wk = 0.0029851 k( 64) = ( -0.0503540 0.1199980 1.2758320), wk = 0.0029851 k( 65) = ( -0.0566870 0.1350903 1.2594649), wk = 0.0029851 k( 66) = ( -0.0630201 0.1501825 1.2430978), wk = 0.0029851 k( 67) = ( -0.0693531 0.1652747 1.2267307), wk = 0.0029851 k( 68) = ( -0.0756862 0.1803669 1.2103636), wk = 0.0029851 k( 69) = ( -0.0820192 0.1954591 1.1939965), wk = 0.0029851 k( 70) = ( -0.0883522 0.2105513 1.1776294), wk = 0.0029851 k( 71) = ( -0.0946853 0.2256435 1.1612623), wk = 0.0029851 k( 72) = ( -0.1010183 0.2407357 1.1448952), wk = 0.0029851 k( 73) = ( -0.1073514 0.2558279 1.1285281), wk = 0.0029851 k( 74) = ( -0.1136844 0.2709201 1.1121610), wk = 0.0029851 k( 75) = ( -0.1200175 0.2860123 1.0957939), wk = 0.0029851 k( 76) = ( -0.1263505 0.3011045 1.0794268), wk = 0.0029851 k( 77) = ( -0.1326835 0.3161967 1.0630597), wk = 0.0029851 k( 78) = ( -0.1390166 0.3312889 1.0466925), wk = 0.0029851 k( 79) = ( -0.1453496 0.3463811 1.0303254), wk = 0.0029851 k( 80) = ( -0.1516827 0.3614733 1.0139583), wk = 0.0029851 k( 81) = ( -0.1580157 0.3765655 0.9975912), wk = 0.0029851 k( 82) = ( -0.1643488 0.3916578 0.9812242), wk = 0.0029851 k( 83) = ( -0.1706818 0.4067500 0.9648570), wk = 0.0029851 k( 84) = ( -0.1770148 0.4218422 0.9484899), wk = 0.0029851 k( 85) = ( -0.1833479 0.4369343 0.9321228), wk = 0.0029851 k( 86) = ( -0.1896809 0.4520265 0.9157557), wk = 0.0029851 k( 87) = ( -0.1960140 0.4671188 0.8993886), wk = 0.0029851 k( 88) = ( -0.2023470 0.4822110 0.8830215), wk = 0.0029851 k( 89) = ( -0.2086801 0.4973032 0.8666544), wk = 0.0029851 k( 90) = ( -0.2150131 0.5123954 0.8502873), wk = 0.0029851 k( 91) = ( -0.2213461 0.5274876 0.8339202), wk = 0.0029851 k( 92) = ( -0.2276792 0.5425798 0.8175531), wk = 0.0029851 k( 93) = ( -0.2340122 0.5576720 0.8011860), wk = 0.0029851 k( 94) = ( -0.2403453 0.5727642 0.7848189), wk = 0.0029851 k( 95) = ( -0.2466783 0.5878564 0.7684518), wk = 0.0029851 k( 96) = ( -0.2530114 0.6029486 0.7520847), wk = 0.0029851 k( 97) = ( -0.2593444 0.6180408 0.7357176), wk = 0.0029851 k( 98) = ( -0.2656774 0.6331330 0.7193505), wk = 0.0029851 k( 99) = ( -0.2720105 0.6482252 0.7029834), wk = 0.0029851 k( 100) = ( -0.2720105 0.6482252 0.7029834), wk = 0.0029851 k( 101) = ( -0.2656847 0.6331502 0.6866349), wk = 0.0029851 k( 102) = ( -0.2593588 0.6180752 0.6702865), wk = 0.0029851 k( 103) = ( -0.2530330 0.6030002 0.6539380), wk = 0.0029851 k( 104) = ( -0.2467072 0.5879252 0.6375896), wk = 0.0029851 k( 105) = ( -0.2403813 0.5728502 0.6212411), wk = 0.0029851 k( 106) = ( -0.2340555 0.5577752 0.6048927), wk = 0.0029851 k( 107) = ( -0.2277297 0.5427002 0.5885442), wk = 0.0029851 k( 108) = ( -0.2214039 0.5276252 0.5721958), wk = 0.0029851 k( 109) = ( -0.2150780 0.5125502 0.5558473), wk = 0.0029851 k( 110) = ( -0.2087522 0.4974752 0.5394989), wk = 0.0029851 k( 111) = ( -0.2024264 0.4824002 0.5231504), wk = 0.0029851 k( 112) = ( -0.1961006 0.4673252 0.5068020), wk = 0.0029851 k( 113) = ( -0.1897747 0.4522502 0.4904535), wk = 0.0029851 k( 114) = ( -0.1834489 0.4371752 0.4741051), wk = 0.0029851 k( 115) = ( -0.1771231 0.4221001 0.4577566), wk = 0.0029851 k( 116) = ( -0.1707973 0.4070252 0.4414082), wk = 0.0029851 k( 117) = ( -0.1644714 0.3919501 0.4250597), wk = 0.0029851 k( 118) = ( -0.1581456 0.3768751 0.4087113), wk = 0.0029851 k( 119) = ( -0.1518198 0.3618001 0.3923628), wk = 0.0029851 k( 120) = ( -0.1454940 0.3467251 0.3760144), wk = 0.0029851 k( 121) = ( -0.1391681 0.3316501 0.3596659), wk = 0.0029851 k( 122) = ( -0.1328423 0.3165751 0.3433175), wk = 0.0029851 k( 123) = ( -0.1265165 0.3015001 0.3269690), wk = 0.0029851 k( 124) = ( -0.1201907 0.2864251 0.3106206), wk = 0.0029851 k( 125) = ( -0.1138649 0.2713501 0.2942721), wk = 0.0029851 k( 126) = ( -0.1075390 0.2562751 0.2779237), wk = 0.0029851 k( 127) = ( -0.1012132 0.2412001 0.2615752), wk = 0.0029851 k( 128) = ( -0.0948874 0.2261251 0.2452268), wk = 0.0029851 k( 129) = ( -0.0885616 0.2110501 0.2288783), wk = 0.0029851 k( 130) = ( -0.0822357 0.1959751 0.2125299), wk = 0.0029851 k( 131) = ( -0.0759099 0.1809001 0.1961814), wk = 0.0029851 k( 132) = ( -0.0695841 0.1658251 0.1798330), wk = 0.0029851 k( 133) = ( -0.0632583 0.1507501 0.1634845), wk = 0.0029851 k( 134) = ( -0.0569324 0.1356751 0.1471361), wk = 0.0029851 k( 135) = ( -0.0506066 0.1206000 0.1307876), wk = 0.0029851 k( 136) = ( -0.0442808 0.1055250 0.1144392), wk = 0.0029851 k( 137) = ( -0.0379550 0.0904500 0.0980907), wk = 0.0029851 k( 138) = ( -0.0316291 0.0753750 0.0817423), wk = 0.0029851 k( 139) = ( -0.0253033 0.0603000 0.0653938), wk = 0.0029851 k( 140) = ( -0.0189775 0.0452250 0.0490454), wk = 0.0029851 k( 141) = ( -0.0126517 0.0301500 0.0326969), wk = 0.0029851 k( 142) = ( -0.0063258 0.0150750 0.0163485), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 145) = ( 0.0217391 0.0091222 -0.0000000), wk = 0.0029851 k( 146) = ( 0.0434783 0.0182445 -0.0000000), wk = 0.0029851 k( 147) = ( 0.0652174 0.0273667 -0.0000000), wk = 0.0029851 k( 148) = ( 0.0869565 0.0364890 -0.0000000), wk = 0.0029851 k( 149) = ( 0.1086957 0.0456112 -0.0000000), wk = 0.0029851 k( 150) = ( 0.1304348 0.0547335 -0.0000000), wk = 0.0029851 k( 151) = ( 0.1521739 0.0638557 -0.0000000), wk = 0.0029851 k( 152) = ( 0.1739130 0.0729780 -0.0000000), wk = 0.0029851 k( 153) = ( 0.1956522 0.0821002 -0.0000000), wk = 0.0029851 k( 154) = ( 0.2173913 0.0912225 -0.0000000), wk = 0.0029851 k( 155) = ( 0.2391304 0.1003447 -0.0000000), wk = 0.0029851 k( 156) = ( 0.2608696 0.1094670 -0.0000000), wk = 0.0029851 k( 157) = ( 0.2826087 0.1185892 -0.0000000), wk = 0.0029851 k( 158) = ( 0.3043478 0.1277115 -0.0000000), wk = 0.0029851 k( 159) = ( 0.3260870 0.1368337 -0.0000000), wk = 0.0029851 k( 160) = ( 0.3478261 0.1459560 -0.0000000), wk = 0.0029851 k( 161) = ( 0.3695652 0.1550782 -0.0000000), wk = 0.0029851 k( 162) = ( 0.3913044 0.1642005 -0.0000000), wk = 0.0029851 k( 163) = ( 0.4130435 0.1733227 -0.0000000), wk = 0.0029851 k( 164) = ( 0.4347826 0.1824450 -0.0000000), wk = 0.0029851 k( 165) = ( 0.4565217 0.1915672 -0.0000000), wk = 0.0029851 k( 166) = ( 0.4782609 0.2006895 -0.0000000), wk = 0.0029851 k( 167) = ( 0.5000000 0.2098117 -0.0000000), wk = 0.0029851 k( 168) = ( 0.5000000 0.2098117 -0.0000000), wk = 0.0029851 k( 169) = ( 0.4936670 0.2249039 0.0163671), wk = 0.0029851 k( 170) = ( 0.4873339 0.2399961 0.0327342), wk = 0.0029851 k( 171) = ( 0.4810009 0.2550883 0.0491013), wk = 0.0029851 k( 172) = ( 0.4746678 0.2701805 0.0654684), wk = 0.0029851 k( 173) = ( 0.4683348 0.2852727 0.0818355), wk = 0.0029851 k( 174) = ( 0.4620017 0.3003649 0.0982026), wk = 0.0029851 k( 175) = ( 0.4556687 0.3154571 0.1145697), wk = 0.0029851 k( 176) = ( 0.4493357 0.3305493 0.1309368), wk = 0.0029851 k( 177) = ( 0.4430026 0.3456415 0.1473039), wk = 0.0029851 k( 178) = ( 0.4366696 0.3607337 0.1636710), wk = 0.0029851 k( 179) = ( 0.4303365 0.3758260 0.1800381), wk = 0.0029851 k( 180) = ( 0.4240035 0.3909182 0.1964052), wk = 0.0029851 k( 181) = ( 0.4176705 0.4060104 0.2127723), wk = 0.0029851 k( 182) = ( 0.4113374 0.4211026 0.2291394), wk = 0.0029851 k( 183) = ( 0.4050044 0.4361948 0.2455066), wk = 0.0029851 k( 184) = ( 0.3986713 0.4512870 0.2618737), wk = 0.0029851 k( 185) = ( 0.3923383 0.4663792 0.2782408), wk = 0.0029851 k( 186) = ( 0.3860052 0.4814714 0.2946079), wk = 0.0029851 k( 187) = ( 0.3796722 0.4965636 0.3109749), wk = 0.0029851 k( 188) = ( 0.3733392 0.5116558 0.3273421), wk = 0.0029851 k( 189) = ( 0.3670061 0.5267480 0.3437092), wk = 0.0029851 k( 190) = ( 0.3606731 0.5418402 0.3600763), wk = 0.0029851 k( 191) = ( 0.3543400 0.5569324 0.3764434), wk = 0.0029851 k( 192) = ( 0.3480070 0.5720246 0.3928105), wk = 0.0029851 k( 193) = ( 0.3416739 0.5871168 0.4091776), wk = 0.0029851 k( 194) = ( 0.3353409 0.6022090 0.4255447), wk = 0.0029851 k( 195) = ( 0.3290079 0.6173012 0.4419118), wk = 0.0029851 k( 196) = ( 0.3226748 0.6323934 0.4582789), wk = 0.0029851 k( 197) = ( 0.3163418 0.6474856 0.4746460), wk = 0.0029851 k( 198) = ( 0.3100087 0.6625778 0.4910131), wk = 0.0029851 k( 199) = ( 0.3036757 0.6776700 0.5073802), wk = 0.0029851 k( 200) = ( 0.2973426 0.6927623 0.5237473), wk = 0.0029851 k( 201) = ( 0.2910096 0.7078545 0.5401144), wk = 0.0029851 k( 202) = ( 0.2846766 0.7229467 0.5564815), wk = 0.0029851 k( 203) = ( 0.2783435 0.7380389 0.5728486), wk = 0.0029851 k( 204) = ( 0.2720105 0.7531311 0.5892157), wk = 0.0029851 k( 205) = ( 0.2720105 0.7531311 0.5892157), wk = 0.0029851 k( 206) = ( 0.2493429 0.7487600 0.5939560), wk = 0.0029851 k( 207) = ( 0.2266754 0.7443889 0.5986964), wk = 0.0029851 k( 208) = ( 0.2040079 0.7400178 0.6034367), wk = 0.0029851 k( 209) = ( 0.1813403 0.7356468 0.6081770), wk = 0.0029851 k( 210) = ( 0.1586728 0.7312757 0.6129173), wk = 0.0029851 k( 211) = ( 0.1360052 0.7269046 0.6176576), wk = 0.0029851 k( 212) = ( 0.1133377 0.7225335 0.6223980), wk = 0.0029851 k( 213) = ( 0.0906702 0.7181625 0.6271383), wk = 0.0029851 k( 214) = ( 0.0680026 0.7137914 0.6318786), wk = 0.0029851 k( 215) = ( 0.0453351 0.7094203 0.6366189), wk = 0.0029851 k( 216) = ( 0.0226675 0.7050492 0.6413592), wk = 0.0029851 k( 217) = ( 0.0000000 0.7006781 0.6460996), wk = 0.0029851 k( 218) = ( 0.0000000 0.7006781 0.6460996), wk = 0.0029851 k( 219) = ( 0.0064103 0.6854019 0.6626662), wk = 0.0029851 k( 220) = ( 0.0128205 0.6701257 0.6792329), wk = 0.0029851 k( 221) = ( 0.0192308 0.6548495 0.6957995), wk = 0.0029851 k( 222) = ( 0.0256410 0.6395733 0.7123662), wk = 0.0029851 k( 223) = ( 0.0320513 0.6242971 0.7289328), wk = 0.0029851 k( 224) = ( 0.0384615 0.6090209 0.7454995), wk = 0.0029851 k( 225) = ( 0.0448718 0.5937447 0.7620661), wk = 0.0029851 k( 226) = ( 0.0512821 0.5784684 0.7786328), wk = 0.0029851 k( 227) = ( 0.0576923 0.5631922 0.7951995), wk = 0.0029851 k( 228) = ( 0.0641026 0.5479160 0.8117661), wk = 0.0029851 k( 229) = ( 0.0705128 0.5326398 0.8283328), wk = 0.0029851 k( 230) = ( 0.0769231 0.5173636 0.8448994), wk = 0.0029851 k( 231) = ( 0.0833333 0.5020874 0.8614661), wk = 0.0029851 k( 232) = ( 0.0897436 0.4868112 0.8780327), wk = 0.0029851 k( 233) = ( 0.0961538 0.4715349 0.8945994), wk = 0.0029851 k( 234) = ( 0.1025641 0.4562588 0.9111660), wk = 0.0029851 k( 235) = ( 0.1089744 0.4409825 0.9277327), wk = 0.0029851 k( 236) = ( 0.1153846 0.4257063 0.9442994), wk = 0.0029851 k( 237) = ( 0.1217949 0.4104301 0.9608660), wk = 0.0029851 k( 238) = ( 0.1282051 0.3951539 0.9774327), wk = 0.0029851 k( 239) = ( 0.1346154 0.3798777 0.9939993), wk = 0.0029851 k( 240) = ( 0.1410256 0.3646015 1.0105660), wk = 0.0029851 k( 241) = ( 0.1474359 0.3493252 1.0271326), wk = 0.0029851 k( 242) = ( 0.1538461 0.3340491 1.0436993), wk = 0.0029851 k( 243) = ( 0.1602564 0.3187728 1.0602659), wk = 0.0029851 k( 244) = ( 0.1666667 0.3034966 1.0768326), wk = 0.0029851 k( 245) = ( 0.1730769 0.2882204 1.0933992), wk = 0.0029851 k( 246) = ( 0.1794872 0.2729442 1.1099659), wk = 0.0029851 k( 247) = ( 0.1858974 0.2576680 1.1265326), wk = 0.0029851 k( 248) = ( 0.1923077 0.2423918 1.1430992), wk = 0.0029851 k( 249) = ( 0.1987180 0.2271156 1.1596659), wk = 0.0029851 k( 250) = ( 0.2051282 0.2118393 1.1762325), wk = 0.0029851 k( 251) = ( 0.2115385 0.1965631 1.1927992), wk = 0.0029851 k( 252) = ( 0.2179487 0.1812869 1.2093658), wk = 0.0029851 k( 253) = ( 0.2243590 0.1660107 1.2259325), wk = 0.0029851 k( 254) = ( 0.2307692 0.1507345 1.2424991), wk = 0.0029851 k( 255) = ( 0.2371795 0.1354583 1.2590658), wk = 0.0029851 k( 256) = ( 0.2435897 0.1201821 1.2756324), wk = 0.0029851 k( 257) = ( 0.2500000 0.1049059 1.2921991), wk = 0.0029851 k( 258) = ( 0.2500000 0.1049059 1.2921991), wk = 0.0029851 k( 259) = ( 0.2692308 0.1129755 1.2834477), wk = 0.0029851 k( 260) = ( 0.2884615 0.1210452 1.2746964), wk = 0.0029851 k( 261) = ( 0.3076923 0.1291149 1.2659450), wk = 0.0029851 k( 262) = ( 0.3269231 0.1371846 1.2571937), wk = 0.0029851 k( 263) = ( 0.3461538 0.1452543 1.2484423), wk = 0.0029851 k( 264) = ( 0.3653846 0.1533239 1.2396910), wk = 0.0029851 k( 265) = ( 0.3846154 0.1613936 1.2309396), wk = 0.0029851 k( 266) = ( 0.4038462 0.1694633 1.2221882), wk = 0.0029851 k( 267) = ( 0.4230769 0.1775330 1.2134369), wk = 0.0029851 k( 268) = ( 0.4423077 0.1856027 1.2046855), wk = 0.0029851 k( 269) = ( 0.4615385 0.1936723 1.1959341), wk = 0.0029851 k( 270) = ( 0.4807692 0.2017420 1.1871828), wk = 0.0029851 k( 271) = ( 0.5000000 0.2098117 1.1784314), wk = 0.0029851 k( 272) = ( 0.5000000 0.2098117 1.1784314), wk = 0.0029851 k( 273) = ( 0.5000000 0.2098117 1.1548628), wk = 0.0029851 k( 274) = ( 0.5000000 0.2098117 1.1312942), wk = 0.0029851 k( 275) = ( 0.5000000 0.2098117 1.1077256), wk = 0.0029851 k( 276) = ( 0.5000000 0.2098117 1.0841569), wk = 0.0029851 k( 277) = ( 0.5000000 0.2098117 1.0605883), wk = 0.0029851 k( 278) = ( 0.5000000 0.2098117 1.0370197), wk = 0.0029851 k( 279) = ( 0.5000000 0.2098117 1.0134510), wk = 0.0029851 k( 280) = ( 0.5000000 0.2098117 0.9898824), wk = 0.0029851 k( 281) = ( 0.5000000 0.2098117 0.9663138), wk = 0.0029851 k( 282) = ( 0.5000000 0.2098117 0.9427451), wk = 0.0029851 k( 283) = ( 0.5000000 0.2098117 0.9191765), wk = 0.0029851 k( 284) = ( 0.5000000 0.2098117 0.8956079), wk = 0.0029851 k( 285) = ( 0.5000000 0.2098117 0.8720393), wk = 0.0029851 k( 286) = ( 0.5000000 0.2098117 0.8484706), wk = 0.0029851 k( 287) = ( 0.5000000 0.2098117 0.8249020), wk = 0.0029851 k( 288) = ( 0.5000000 0.2098117 0.8013334), wk = 0.0029851 k( 289) = ( 0.5000000 0.2098117 0.7777647), wk = 0.0029851 k( 290) = ( 0.5000000 0.2098117 0.7541961), wk = 0.0029851 k( 291) = ( 0.5000000 0.2098117 0.7306275), wk = 0.0029851 k( 292) = ( 0.5000000 0.2098117 0.7070589), wk = 0.0029851 k( 293) = ( 0.5000000 0.2098117 0.6834902), wk = 0.0029851 k( 294) = ( 0.5000000 0.2098117 0.6599216), wk = 0.0029851 k( 295) = ( 0.5000000 0.2098117 0.6363530), wk = 0.0029851 k( 296) = ( 0.5000000 0.2098117 0.6127844), wk = 0.0029851 k( 297) = ( 0.5000000 0.2098117 0.5892157), wk = 0.0029851 k( 298) = ( 0.5000000 0.2098117 0.5656471), wk = 0.0029851 k( 299) = ( 0.5000000 0.2098117 0.5420785), wk = 0.0029851 k( 300) = ( 0.5000000 0.2098117 0.5185098), wk = 0.0029851 k( 301) = ( 0.5000000 0.2098117 0.4949412), wk = 0.0029851 k( 302) = ( 0.5000000 0.2098117 0.4713726), wk = 0.0029851 k( 303) = ( 0.5000000 0.2098117 0.4478039), wk = 0.0029851 k( 304) = ( 0.5000000 0.2098117 0.4242353), wk = 0.0029851 k( 305) = ( 0.5000000 0.2098117 0.4006667), wk = 0.0029851 k( 306) = ( 0.5000000 0.2098117 0.3770981), wk = 0.0029851 k( 307) = ( 0.5000000 0.2098117 0.3535294), wk = 0.0029851 k( 308) = ( 0.5000000 0.2098117 0.3299608), wk = 0.0029851 k( 309) = ( 0.5000000 0.2098117 0.3063922), wk = 0.0029851 k( 310) = ( 0.5000000 0.2098117 0.2828235), wk = 0.0029851 k( 311) = ( 0.5000000 0.2098117 0.2592549), wk = 0.0029851 k( 312) = ( 0.5000000 0.2098117 0.2356863), wk = 0.0029851 k( 313) = ( 0.5000000 0.2098117 0.2121177), wk = 0.0029851 k( 314) = ( 0.5000000 0.2098117 0.1885490), wk = 0.0029851 k( 315) = ( 0.5000000 0.2098117 0.1649804), wk = 0.0029851 k( 316) = ( 0.5000000 0.2098117 0.1414118), wk = 0.0029851 k( 317) = ( 0.5000000 0.2098117 0.1178431), wk = 0.0029851 k( 318) = ( 0.5000000 0.2098117 0.0942745), wk = 0.0029851 k( 319) = ( 0.5000000 0.2098117 0.0707059), wk = 0.0029851 k( 320) = ( 0.5000000 0.2098117 0.0471373), wk = 0.0029851 k( 321) = ( 0.5000000 0.2098117 0.0235686), wk = 0.0029851 k( 322) = ( 0.5000000 0.2098117 -0.0000000), wk = 0.0029851 k( 323) = ( 0.0000000 0.0000000 1.2921991), wk = 0.0029851 k( 324) = ( 0.0208333 0.0087422 1.2921991), wk = 0.0029851 k( 325) = ( 0.0416667 0.0174843 1.2921991), wk = 0.0029851 k( 326) = ( 0.0625000 0.0262265 1.2921991), wk = 0.0029851 k( 327) = ( 0.0833333 0.0349686 1.2921991), wk = 0.0029851 k( 328) = ( 0.1041667 0.0437108 1.2921991), wk = 0.0029851 k( 329) = ( 0.1250000 0.0524529 1.2921991), wk = 0.0029851 k( 330) = ( 0.1458333 0.0611951 1.2921991), wk = 0.0029851 k( 331) = ( 0.1666667 0.0699372 1.2921991), wk = 0.0029851 k( 332) = ( 0.1875000 0.0786794 1.2921991), wk = 0.0029851 k( 333) = ( 0.2083333 0.0874215 1.2921991), wk = 0.0029851 k( 334) = ( 0.2291667 0.0961637 1.2921991), wk = 0.0029851 k( 335) = ( 0.2500000 0.1049059 1.2921991), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029851 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029851 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0029851 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0029851 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0029851 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0029851 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029851 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0029851 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0029851 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0029851 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0029851 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 58) = ( -0.0088042 0.0088042 0.5000000), wk = 0.0029851 k( 59) = ( -0.0176084 0.0176084 0.5000000), wk = 0.0029851 k( 60) = ( -0.0264126 0.0264126 0.5000000), wk = 0.0029851 k( 61) = ( -0.0352168 0.0352168 0.5000000), wk = 0.0029851 k( 62) = ( -0.0440210 0.0440210 0.5000000), wk = 0.0029851 k( 63) = ( -0.0440210 0.0440210 0.5000000), wk = 0.0029851 k( 64) = ( -0.0503540 0.0503540 0.4936670), wk = 0.0029851 k( 65) = ( -0.0566870 0.0566870 0.4873339), wk = 0.0029851 k( 66) = ( -0.0630201 0.0630201 0.4810009), wk = 0.0029851 k( 67) = ( -0.0693531 0.0693531 0.4746678), wk = 0.0029851 k( 68) = ( -0.0756862 0.0756862 0.4683348), wk = 0.0029851 k( 69) = ( -0.0820192 0.0820192 0.4620017), wk = 0.0029851 k( 70) = ( -0.0883522 0.0883522 0.4556687), wk = 0.0029851 k( 71) = ( -0.0946853 0.0946853 0.4493357), wk = 0.0029851 k( 72) = ( -0.1010183 0.1010183 0.4430026), wk = 0.0029851 k( 73) = ( -0.1073514 0.1073514 0.4366696), wk = 0.0029851 k( 74) = ( -0.1136844 0.1136844 0.4303365), wk = 0.0029851 k( 75) = ( -0.1200175 0.1200175 0.4240035), wk = 0.0029851 k( 76) = ( -0.1263505 0.1263505 0.4176705), wk = 0.0029851 k( 77) = ( -0.1326835 0.1326835 0.4113374), wk = 0.0029851 k( 78) = ( -0.1390166 0.1390166 0.4050044), wk = 0.0029851 k( 79) = ( -0.1453496 0.1453496 0.3986713), wk = 0.0029851 k( 80) = ( -0.1516827 0.1516827 0.3923383), wk = 0.0029851 k( 81) = ( -0.1580157 0.1580157 0.3860052), wk = 0.0029851 k( 82) = ( -0.1643488 0.1643488 0.3796722), wk = 0.0029851 k( 83) = ( -0.1706818 0.1706818 0.3733392), wk = 0.0029851 k( 84) = ( -0.1770148 0.1770148 0.3670061), wk = 0.0029851 k( 85) = ( -0.1833479 0.1833479 0.3606731), wk = 0.0029851 k( 86) = ( -0.1896809 0.1896809 0.3543400), wk = 0.0029851 k( 87) = ( -0.1960140 0.1960140 0.3480070), wk = 0.0029851 k( 88) = ( -0.2023470 0.2023470 0.3416739), wk = 0.0029851 k( 89) = ( -0.2086801 0.2086801 0.3353409), wk = 0.0029851 k( 90) = ( -0.2150131 0.2150131 0.3290079), wk = 0.0029851 k( 91) = ( -0.2213461 0.2213461 0.3226748), wk = 0.0029851 k( 92) = ( -0.2276792 0.2276792 0.3163418), wk = 0.0029851 k( 93) = ( -0.2340122 0.2340122 0.3100087), wk = 0.0029851 k( 94) = ( -0.2403453 0.2403453 0.3036757), wk = 0.0029851 k( 95) = ( -0.2466783 0.2466783 0.2973426), wk = 0.0029851 k( 96) = ( -0.2530114 0.2530114 0.2910096), wk = 0.0029851 k( 97) = ( -0.2593444 0.2593444 0.2846766), wk = 0.0029851 k( 98) = ( -0.2656774 0.2656774 0.2783435), wk = 0.0029851 k( 99) = ( -0.2720105 0.2720105 0.2720105), wk = 0.0029851 k( 100) = ( -0.2720105 0.2720105 0.2720105), wk = 0.0029851 k( 101) = ( -0.2656847 0.2656847 0.2656847), wk = 0.0029851 k( 102) = ( -0.2593588 0.2593588 0.2593588), wk = 0.0029851 k( 103) = ( -0.2530330 0.2530330 0.2530330), wk = 0.0029851 k( 104) = ( -0.2467072 0.2467072 0.2467072), wk = 0.0029851 k( 105) = ( -0.2403813 0.2403813 0.2403814), wk = 0.0029851 k( 106) = ( -0.2340555 0.2340555 0.2340555), wk = 0.0029851 k( 107) = ( -0.2277297 0.2277297 0.2277297), wk = 0.0029851 k( 108) = ( -0.2214039 0.2214039 0.2214039), wk = 0.0029851 k( 109) = ( -0.2150780 0.2150780 0.2150781), wk = 0.0029851 k( 110) = ( -0.2087522 0.2087522 0.2087522), wk = 0.0029851 k( 111) = ( -0.2024264 0.2024264 0.2024264), wk = 0.0029851 k( 112) = ( -0.1961006 0.1961006 0.1961006), wk = 0.0029851 k( 113) = ( -0.1897747 0.1897747 0.1897748), wk = 0.0029851 k( 114) = ( -0.1834489 0.1834489 0.1834489), wk = 0.0029851 k( 115) = ( -0.1771231 0.1771231 0.1771231), wk = 0.0029851 k( 116) = ( -0.1707973 0.1707973 0.1707973), wk = 0.0029851 k( 117) = ( -0.1644714 0.1644714 0.1644715), wk = 0.0029851 k( 118) = ( -0.1581456 0.1581456 0.1581456), wk = 0.0029851 k( 119) = ( -0.1518198 0.1518198 0.1518198), wk = 0.0029851 k( 120) = ( -0.1454940 0.1454940 0.1454940), wk = 0.0029851 k( 121) = ( -0.1391681 0.1391681 0.1391682), wk = 0.0029851 k( 122) = ( -0.1328423 0.1328423 0.1328423), wk = 0.0029851 k( 123) = ( -0.1265165 0.1265165 0.1265165), wk = 0.0029851 k( 124) = ( -0.1201907 0.1201907 0.1201907), wk = 0.0029851 k( 125) = ( -0.1138649 0.1138649 0.1138649), wk = 0.0029851 k( 126) = ( -0.1075390 0.1075390 0.1075390), wk = 0.0029851 k( 127) = ( -0.1012132 0.1012132 0.1012132), wk = 0.0029851 k( 128) = ( -0.0948874 0.0948874 0.0948874), wk = 0.0029851 k( 129) = ( -0.0885616 0.0885616 0.0885616), wk = 0.0029851 k( 130) = ( -0.0822357 0.0822357 0.0822357), wk = 0.0029851 k( 131) = ( -0.0759099 0.0759099 0.0759099), wk = 0.0029851 k( 132) = ( -0.0695841 0.0695841 0.0695841), wk = 0.0029851 k( 133) = ( -0.0632583 0.0632583 0.0632583), wk = 0.0029851 k( 134) = ( -0.0569324 0.0569324 0.0569324), wk = 0.0029851 k( 135) = ( -0.0506066 0.0506066 0.0506066), wk = 0.0029851 k( 136) = ( -0.0442808 0.0442808 0.0442808), wk = 0.0029851 k( 137) = ( -0.0379550 0.0379549 0.0379550), wk = 0.0029851 k( 138) = ( -0.0316291 0.0316291 0.0316291), wk = 0.0029851 k( 139) = ( -0.0253033 0.0253033 0.0253033), wk = 0.0029851 k( 140) = ( -0.0189775 0.0189775 0.0189775), wk = 0.0029851 k( 141) = ( -0.0126517 0.0126517 0.0126517), wk = 0.0029851 k( 142) = ( -0.0063258 0.0063258 0.0063258), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 145) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0029851 k( 146) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0029851 k( 147) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0029851 k( 148) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0029851 k( 149) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0029851 k( 150) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0029851 k( 151) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0029851 k( 152) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0029851 k( 153) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0029851 k( 154) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0029851 k( 155) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0029851 k( 156) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0029851 k( 157) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0029851 k( 158) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0029851 k( 159) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0029851 k( 160) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0029851 k( 161) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0029851 k( 162) = ( 0.3913044 0.3913043 -0.3913044), wk = 0.0029851 k( 163) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0029851 k( 164) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0029851 k( 165) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0029851 k( 166) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0029851 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 169) = ( 0.4936670 0.5063330 -0.4936670), wk = 0.0029851 k( 170) = ( 0.4873339 0.5126661 -0.4873339), wk = 0.0029851 k( 171) = ( 0.4810009 0.5189991 -0.4810009), wk = 0.0029851 k( 172) = ( 0.4746678 0.5253322 -0.4746678), wk = 0.0029851 k( 173) = ( 0.4683348 0.5316652 -0.4683348), wk = 0.0029851 k( 174) = ( 0.4620017 0.5379983 -0.4620017), wk = 0.0029851 k( 175) = ( 0.4556687 0.5443313 -0.4556687), wk = 0.0029851 k( 176) = ( 0.4493357 0.5506643 -0.4493357), wk = 0.0029851 k( 177) = ( 0.4430026 0.5569974 -0.4430026), wk = 0.0029851 k( 178) = ( 0.4366696 0.5633304 -0.4366696), wk = 0.0029851 k( 179) = ( 0.4303365 0.5696635 -0.4303365), wk = 0.0029851 k( 180) = ( 0.4240035 0.5759965 -0.4240035), wk = 0.0029851 k( 181) = ( 0.4176705 0.5823295 -0.4176705), wk = 0.0029851 k( 182) = ( 0.4113374 0.5886626 -0.4113374), wk = 0.0029851 k( 183) = ( 0.4050044 0.5949956 -0.4050044), wk = 0.0029851 k( 184) = ( 0.3986713 0.6013287 -0.3986713), wk = 0.0029851 k( 185) = ( 0.3923383 0.6076617 -0.3923383), wk = 0.0029851 k( 186) = ( 0.3860052 0.6139948 -0.3860052), wk = 0.0029851 k( 187) = ( 0.3796722 0.6203278 -0.3796722), wk = 0.0029851 k( 188) = ( 0.3733392 0.6266609 -0.3733392), wk = 0.0029851 k( 189) = ( 0.3670061 0.6329939 -0.3670061), wk = 0.0029851 k( 190) = ( 0.3606731 0.6393269 -0.3606731), wk = 0.0029851 k( 191) = ( 0.3543400 0.6456600 -0.3543400), wk = 0.0029851 k( 192) = ( 0.3480070 0.6519930 -0.3480070), wk = 0.0029851 k( 193) = ( 0.3416739 0.6583261 -0.3416739), wk = 0.0029851 k( 194) = ( 0.3353409 0.6646591 -0.3353409), wk = 0.0029851 k( 195) = ( 0.3290079 0.6709921 -0.3290079), wk = 0.0029851 k( 196) = ( 0.3226748 0.6773252 -0.3226748), wk = 0.0029851 k( 197) = ( 0.3163418 0.6836582 -0.3163418), wk = 0.0029851 k( 198) = ( 0.3100087 0.6899913 -0.3100087), wk = 0.0029851 k( 199) = ( 0.3036757 0.6963243 -0.3036757), wk = 0.0029851 k( 200) = ( 0.2973426 0.7026574 -0.2973426), wk = 0.0029851 k( 201) = ( 0.2910096 0.7089904 -0.2910096), wk = 0.0029851 k( 202) = ( 0.2846766 0.7153234 -0.2846766), wk = 0.0029851 k( 203) = ( 0.2783435 0.7216565 -0.2783435), wk = 0.0029851 k( 204) = ( 0.2720105 0.7279895 -0.2720105), wk = 0.0029851 k( 205) = ( 0.2720105 0.7279895 -0.2720105), wk = 0.0029851 k( 206) = ( 0.2493429 0.7089904 -0.2493429), wk = 0.0029851 k( 207) = ( 0.2266754 0.6899913 -0.2266754), wk = 0.0029851 k( 208) = ( 0.2040079 0.6709921 -0.2040079), wk = 0.0029851 k( 209) = ( 0.1813403 0.6519930 -0.1813403), wk = 0.0029851 k( 210) = ( 0.1586728 0.6329939 -0.1586728), wk = 0.0029851 k( 211) = ( 0.1360052 0.6139948 -0.1360052), wk = 0.0029851 k( 212) = ( 0.1133377 0.5949956 -0.1133377), wk = 0.0029851 k( 213) = ( 0.0906702 0.5759965 -0.0906702), wk = 0.0029851 k( 214) = ( 0.0680026 0.5569974 -0.0680026), wk = 0.0029851 k( 215) = ( 0.0453351 0.5379983 -0.0453351), wk = 0.0029851 k( 216) = ( 0.0226675 0.5189991 -0.0226675), wk = 0.0029851 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 219) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029851 k( 220) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029851 k( 221) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029851 k( 222) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029851 k( 223) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029851 k( 224) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029851 k( 225) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029851 k( 226) = ( 0.0512821 0.4487179 0.0512820), wk = 0.0029851 k( 227) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029851 k( 228) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029851 k( 229) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029851 k( 230) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029851 k( 231) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029851 k( 232) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029851 k( 233) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0029851 k( 234) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029851 k( 235) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029851 k( 236) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029851 k( 237) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029851 k( 238) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029851 k( 239) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029851 k( 240) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029851 k( 241) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029851 k( 242) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0029851 k( 243) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029851 k( 244) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029851 k( 245) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029851 k( 246) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029851 k( 247) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029851 k( 248) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029851 k( 249) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0029851 k( 250) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029851 k( 251) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029851 k( 252) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029851 k( 253) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029851 k( 254) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029851 k( 255) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029851 k( 256) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029851 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 258) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 259) = ( 0.2692308 0.2692308 0.2273830), wk = 0.0029851 k( 260) = ( 0.2884615 0.2884615 0.2047660), wk = 0.0029851 k( 261) = ( 0.3076923 0.3076923 0.1821490), wk = 0.0029851 k( 262) = ( 0.3269231 0.3269231 0.1595320), wk = 0.0029851 k( 263) = ( 0.3461538 0.3461538 0.1369150), wk = 0.0029851 k( 264) = ( 0.3653846 0.3653846 0.1142980), wk = 0.0029851 k( 265) = ( 0.3846154 0.3846154 0.0916810), wk = 0.0029851 k( 266) = ( 0.4038462 0.4038462 0.0690640), wk = 0.0029851 k( 267) = ( 0.4230769 0.4230769 0.0464470), wk = 0.0029851 k( 268) = ( 0.4423077 0.4423077 0.0238300), wk = 0.0029851 k( 269) = ( 0.4615385 0.4615385 0.0012130), wk = 0.0029851 k( 270) = ( 0.4807692 0.4807692 -0.0214040), wk = 0.0029851 k( 271) = ( 0.5000000 0.5000000 -0.0440209), wk = 0.0029851 k( 272) = ( 0.5000000 0.5000000 -0.0440209), wk = 0.0029851 k( 273) = ( 0.5000000 0.5000000 -0.0531405), wk = 0.0029851 k( 274) = ( 0.5000000 0.5000000 -0.0622601), wk = 0.0029851 k( 275) = ( 0.5000000 0.5000000 -0.0713797), wk = 0.0029851 k( 276) = ( 0.5000000 0.5000000 -0.0804993), wk = 0.0029851 k( 277) = ( 0.5000000 0.5000000 -0.0896189), wk = 0.0029851 k( 278) = ( 0.5000000 0.5000000 -0.0987384), wk = 0.0029851 k( 279) = ( 0.5000000 0.5000000 -0.1078580), wk = 0.0029851 k( 280) = ( 0.5000000 0.5000000 -0.1169776), wk = 0.0029851 k( 281) = ( 0.5000000 0.5000000 -0.1260972), wk = 0.0029851 k( 282) = ( 0.5000000 0.5000000 -0.1352168), wk = 0.0029851 k( 283) = ( 0.5000000 0.5000000 -0.1443363), wk = 0.0029851 k( 284) = ( 0.5000000 0.5000000 -0.1534559), wk = 0.0029851 k( 285) = ( 0.5000000 0.5000000 -0.1625755), wk = 0.0029851 k( 286) = ( 0.5000000 0.5000000 -0.1716951), wk = 0.0029851 k( 287) = ( 0.5000000 0.5000000 -0.1808147), wk = 0.0029851 k( 288) = ( 0.5000000 0.5000000 -0.1899342), wk = 0.0029851 k( 289) = ( 0.5000000 0.5000000 -0.1990538), wk = 0.0029851 k( 290) = ( 0.5000000 0.5000000 -0.2081734), wk = 0.0029851 k( 291) = ( 0.5000000 0.5000000 -0.2172930), wk = 0.0029851 k( 292) = ( 0.5000000 0.5000000 -0.2264126), wk = 0.0029851 k( 293) = ( 0.5000000 0.5000000 -0.2355321), wk = 0.0029851 k( 294) = ( 0.5000000 0.5000000 -0.2446517), wk = 0.0029851 k( 295) = ( 0.5000000 0.5000000 -0.2537713), wk = 0.0029851 k( 296) = ( 0.5000000 0.5000000 -0.2628909), wk = 0.0029851 k( 297) = ( 0.5000000 0.5000000 -0.2720105), wk = 0.0029851 k( 298) = ( 0.5000000 0.5000000 -0.2811301), wk = 0.0029851 k( 299) = ( 0.5000000 0.5000000 -0.2902496), wk = 0.0029851 k( 300) = ( 0.5000000 0.5000000 -0.2993692), wk = 0.0029851 k( 301) = ( 0.5000000 0.5000000 -0.3084888), wk = 0.0029851 k( 302) = ( 0.5000000 0.5000000 -0.3176084), wk = 0.0029851 k( 303) = ( 0.5000000 0.5000000 -0.3267280), wk = 0.0029851 k( 304) = ( 0.5000000 0.5000000 -0.3358475), wk = 0.0029851 k( 305) = ( 0.5000000 0.5000000 -0.3449671), wk = 0.0029851 k( 306) = ( 0.5000000 0.5000000 -0.3540867), wk = 0.0029851 k( 307) = ( 0.5000000 0.5000000 -0.3632063), wk = 0.0029851 k( 308) = ( 0.5000000 0.5000000 -0.3723259), wk = 0.0029851 k( 309) = ( 0.5000000 0.5000000 -0.3814455), wk = 0.0029851 k( 310) = ( 0.5000000 0.5000000 -0.3905650), wk = 0.0029851 k( 311) = ( 0.5000000 0.5000000 -0.3996846), wk = 0.0029851 k( 312) = ( 0.5000000 0.5000000 -0.4088042), wk = 0.0029851 k( 313) = ( 0.5000000 0.5000000 -0.4179238), wk = 0.0029851 k( 314) = ( 0.5000000 0.5000000 -0.4270433), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 -0.4361629), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 -0.4452825), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 -0.4544021), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 -0.4635217), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 -0.4726413), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 -0.4817608), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 -0.4908804), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 324) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029851 k( 325) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029851 k( 326) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029851 k( 327) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029851 k( 328) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029851 k( 329) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029851 k( 330) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029851 k( 331) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029851 k( 332) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029851 k( 333) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029851 k( 334) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029851 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 Dense grid: 53227 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 25047 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 180, 46) NL pseudopotentials 0.17 Mb ( 90, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1478) G-vector shells 0.01 Mb ( 677) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 180, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 124, 2, 46) The potential is recalculated from file : ./YGe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.5 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.4 secs Computing kpt #: 17 total cpu time spent up to now is 13.9 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.4 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.5 secs Computing kpt #: 29 total cpu time spent up to now is 20.0 secs Computing kpt #: 30 total cpu time spent up to now is 20.5 secs Computing kpt #: 31 total cpu time spent up to now is 21.0 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.9 secs Computing kpt #: 35 total cpu time spent up to now is 23.6 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.6 secs Computing kpt #: 39 total cpu time spent up to now is 26.3 secs Computing kpt #: 40 total cpu time spent up to now is 27.0 secs Computing kpt #: 41 total cpu time spent up to now is 27.6 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.8 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.1 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.4 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.7 secs Computing kpt #: 54 total cpu time spent up to now is 35.5 secs Computing kpt #: 55 total cpu time spent up to now is 36.3 secs Computing kpt #: 56 total cpu time spent up to now is 37.0 secs Computing kpt #: 57 total cpu time spent up to now is 37.7 secs Computing kpt #: 58 total cpu time spent up to now is 38.6 secs Computing kpt #: 59 total cpu time spent up to now is 39.4 secs Computing kpt #: 60 total cpu time spent up to now is 40.2 secs Computing kpt #: 61 total cpu time spent up to now is 40.9 secs Computing kpt #: 62 total cpu time spent up to now is 41.8 secs Computing kpt #: 63 total cpu time spent up to now is 42.9 secs Computing kpt #: 64 total cpu time spent up to now is 44.1 secs Computing kpt #: 65 total cpu time spent up to now is 45.0 secs Computing kpt #: 66 total cpu time spent up to now is 45.8 secs Computing kpt #: 67 total cpu time spent up to now is 46.7 secs Computing kpt #: 68 total cpu time spent up to now is 47.6 secs Computing kpt #: 69 total cpu time spent up to now is 48.4 secs Computing kpt #: 70 total cpu time spent up to now is 49.1 secs Computing kpt #: 71 total cpu time spent up to now is 49.8 secs Computing kpt #: 72 total cpu time spent up to now is 50.4 secs Computing kpt #: 73 total cpu time spent up to now is 51.1 secs Computing kpt #: 74 total cpu time spent up to now is 51.8 secs Computing kpt #: 75 total cpu time spent up to now is 52.5 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 77 total cpu time spent up to now is 53.8 secs Computing kpt #: 78 total cpu time spent up to now is 54.5 secs Computing kpt #: 79 total cpu time spent up to now is 55.2 secs Computing kpt #: 80 total cpu time spent up to now is 55.8 secs Computing kpt #: 81 total cpu time spent up to now is 56.5 secs Computing kpt #: 82 total cpu time spent up to now is 57.2 secs Computing kpt #: 83 total cpu time spent up to now is 57.8 secs Computing kpt #: 84 total cpu time spent up to now is 58.5 secs Computing kpt #: 85 total cpu time spent up to now is 59.1 secs Computing kpt #: 86 total cpu time spent up to now is 59.7 secs Computing kpt #: 87 total cpu time spent up to now is 60.4 secs Computing kpt #: 88 total cpu time spent up to now is 60.9 secs Computing kpt #: 89 total cpu time spent up to now is 61.5 secs Computing kpt #: 90 total cpu time spent up to now is 62.0 secs Computing kpt #: 91 total cpu time spent up to now is 62.5 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.5 secs Computing kpt #: 94 total cpu time spent up to now is 64.1 secs Computing kpt #: 95 total cpu time spent up to now is 64.6 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 66.8 secs Computing kpt #: 100 total cpu time spent up to now is 67.3 secs Computing kpt #: 101 total cpu time spent up to now is 67.8 secs Computing kpt #: 102 total cpu time spent up to now is 68.3 secs Computing kpt #: 103 total cpu time spent up to now is 68.8 secs Computing kpt #: 104 total cpu time spent up to now is 69.3 secs Computing kpt #: 105 total cpu time spent up to now is 69.8 secs Computing kpt #: 106 total cpu time spent up to now is 70.3 secs Computing kpt #: 107 total cpu time spent up to now is 70.8 secs Computing kpt #: 108 total cpu time spent up to now is 71.2 secs Computing kpt #: 109 total cpu time spent up to now is 71.7 secs Computing kpt #: 110 total cpu time spent up to now is 72.2 secs Computing kpt #: 111 total cpu time spent up to now is 72.6 secs Computing kpt #: 112 total cpu time spent up to now is 73.1 secs Computing kpt #: 113 total cpu time spent up to now is 73.6 secs Computing kpt #: 114 total cpu time spent up to now is 74.1 secs Computing kpt #: 115 total cpu time spent up to now is 74.6 secs Computing kpt #: 116 total cpu time spent up to now is 75.1 secs Computing kpt #: 117 total cpu time spent up to now is 75.6 secs Computing kpt #: 118 total cpu time spent up to now is 76.1 secs Computing kpt #: 119 total cpu time spent up to now is 76.6 secs Computing kpt #: 120 total cpu time spent up to now is 77.1 secs Computing kpt #: 121 total cpu time spent up to now is 77.6 secs Computing kpt #: 122 total cpu time spent up to now is 78.3 secs Computing kpt #: 123 total cpu time spent up to now is 78.9 secs Computing kpt #: 124 total cpu time spent up to now is 79.5 secs Computing kpt #: 125 total cpu time spent up to now is 80.0 secs Computing kpt #: 126 total cpu time spent up to now is 80.6 secs Computing kpt #: 127 total cpu time spent up to now is 81.4 secs Computing kpt #: 128 total cpu time spent up to now is 82.1 secs Computing kpt #: 129 total cpu time spent up to now is 82.7 secs Computing kpt #: 130 total cpu time spent up to now is 83.4 secs Computing kpt #: 131 total cpu time spent up to now is 84.0 secs Computing kpt #: 132 total cpu time spent up to now is 84.7 secs Computing kpt #: 133 total cpu time spent up to now is 85.4 secs Computing kpt #: 134 total cpu time spent up to now is 86.0 secs Computing kpt #: 135 total cpu time spent up to now is 86.7 secs Computing kpt #: 136 total cpu time spent up to now is 87.3 secs Computing kpt #: 137 total cpu time spent up to now is 88.0 secs Computing kpt #: 138 total cpu time spent up to now is 88.7 secs Computing kpt #: 139 total cpu time spent up to now is 89.5 secs Computing kpt #: 140 total cpu time spent up to now is 90.4 secs Computing kpt #: 141 total cpu time spent up to now is 91.3 secs Computing kpt #: 142 total cpu time spent up to now is 92.4 secs Computing kpt #: 143 total cpu time spent up to now is 93.7 secs Computing kpt #: 144 total cpu time spent up to now is 95.0 secs Computing kpt #: 145 total cpu time spent up to now is 96.3 secs Computing kpt #: 146 total cpu time spent up to now is 97.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.3 secs Computing kpt #: 148 total cpu time spent up to now is 100.2 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.8 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.3 secs Computing kpt #: 151 total cpu time spent up to now is 104.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.9 secs Computing kpt #: 153 total cpu time spent up to now is 107.0 secs Computing kpt #: 154 total cpu time spent up to now is 107.7 secs Computing kpt #: 155 total cpu time spent up to now is 108.4 secs Computing kpt #: 156 total cpu time spent up to now is 108.9 secs Computing kpt #: 157 total cpu time spent up to now is 109.5 secs Computing kpt #: 158 total cpu time spent up to now is 110.0 secs Computing kpt #: 159 total cpu time spent up to now is 110.6 secs Computing kpt #: 160 total cpu time spent up to now is 111.1 secs Computing kpt #: 161 total cpu time spent up to now is 111.6 secs Computing kpt #: 162 total cpu time spent up to now is 112.2 secs Computing kpt #: 163 total cpu time spent up to now is 112.7 secs Computing kpt #: 164 total cpu time spent up to now is 113.3 secs Computing kpt #: 165 total cpu time spent up to now is 113.8 secs Computing kpt #: 166 total cpu time spent up to now is 114.5 secs Computing kpt #: 167 total cpu time spent up to now is 115.0 secs Computing kpt #: 168 total cpu time spent up to now is 115.6 secs Computing kpt #: 169 total cpu time spent up to now is 116.2 secs Computing kpt #: 170 total cpu time spent up to now is 116.9 secs Computing kpt #: 171 total cpu time spent up to now is 117.4 secs Computing kpt #: 172 total cpu time spent up to now is 118.0 secs Computing kpt #: 173 total cpu time spent up to now is 118.5 secs Computing kpt #: 174 total cpu time spent up to now is 119.0 secs Computing kpt #: 175 total cpu time spent up to now is 119.5 secs Computing kpt #: 176 total cpu time spent up to now is 120.1 secs Computing kpt #: 177 total cpu time spent up to now is 120.6 secs Computing kpt #: 178 total cpu time spent up to now is 121.1 secs Computing kpt #: 179 total cpu time spent up to now is 121.7 secs Computing kpt #: 180 total cpu time spent up to now is 122.2 secs Computing kpt #: 181 total cpu time spent up to now is 122.9 secs Computing kpt #: 182 total cpu time spent up to now is 123.6 secs Computing kpt #: 183 total cpu time spent up to now is 124.3 secs Computing kpt #: 184 total cpu time spent up to now is 125.0 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.6 secs Computing kpt #: 186 total cpu time spent up to now is 127.2 secs Computing kpt #: 187 total cpu time spent up to now is 127.8 secs Computing kpt #: 188 total cpu time spent up to now is 128.5 secs Computing kpt #: 189 total cpu time spent up to now is 129.0 secs Computing kpt #: 190 total cpu time spent up to now is 129.7 secs Computing kpt #: 191 total cpu time spent up to now is 130.2 secs Computing kpt #: 192 total cpu time spent up to now is 130.7 secs Computing kpt #: 193 total cpu time spent up to now is 131.4 secs Computing kpt #: 194 total cpu time spent up to now is 132.0 secs Computing kpt #: 195 total cpu time spent up to now is 132.6 secs Computing kpt #: 196 total cpu time spent up to now is 133.3 secs Computing kpt #: 197 total cpu time spent up to now is 133.9 secs Computing kpt #: 198 total cpu time spent up to now is 134.5 secs Computing kpt #: 199 total cpu time spent up to now is 135.2 secs Computing kpt #: 200 total cpu time spent up to now is 135.8 secs Computing kpt #: 201 total cpu time spent up to now is 136.4 secs Computing kpt #: 202 total cpu time spent up to now is 137.1 secs Computing kpt #: 203 total cpu time spent up to now is 137.7 secs Computing kpt #: 204 total cpu time spent up to now is 138.3 secs Computing kpt #: 205 total cpu time spent up to now is 138.8 secs Computing kpt #: 206 total cpu time spent up to now is 139.3 secs Computing kpt #: 207 total cpu time spent up to now is 139.8 secs Computing kpt #: 208 total cpu time spent up to now is 140.5 secs Computing kpt #: 209 total cpu time spent up to now is 141.1 secs Computing kpt #: 210 total cpu time spent up to now is 141.8 secs Computing kpt #: 211 total cpu time spent up to now is 142.4 secs Computing kpt #: 212 total cpu time spent up to now is 143.0 secs Computing kpt #: 213 total cpu time spent up to now is 143.5 secs Computing kpt #: 214 total cpu time spent up to now is 144.0 secs Computing kpt #: 215 total cpu time spent up to now is 144.5 secs Computing kpt #: 216 total cpu time spent up to now is 145.1 secs Computing kpt #: 217 total cpu time spent up to now is 145.6 secs Computing kpt #: 218 total cpu time spent up to now is 146.1 secs Computing kpt #: 219 total cpu time spent up to now is 146.6 secs Computing kpt #: 220 total cpu time spent up to now is 147.2 secs Computing kpt #: 221 total cpu time spent up to now is 147.7 secs Computing kpt #: 222 total cpu time spent up to now is 148.2 secs Computing kpt #: 223 total cpu time spent up to now is 148.8 secs Computing kpt #: 224 total cpu time spent up to now is 149.3 secs Computing kpt #: 225 total cpu time spent up to now is 149.8 secs Computing kpt #: 226 total cpu time spent up to now is 150.3 secs Computing kpt #: 227 total cpu time spent up to now is 150.9 secs Computing kpt #: 228 total cpu time spent up to now is 151.4 secs Computing kpt #: 229 total cpu time spent up to now is 151.9 secs Computing kpt #: 230 total cpu time spent up to now is 152.5 secs Computing kpt #: 231 total cpu time spent up to now is 153.0 secs Computing kpt #: 232 total cpu time spent up to now is 153.5 secs Computing kpt #: 233 total cpu time spent up to now is 154.0 secs Computing kpt #: 234 total cpu time spent up to now is 154.6 secs Computing kpt #: 235 total cpu time spent up to now is 155.1 secs Computing kpt #: 236 total cpu time spent up to now is 155.6 secs Computing kpt #: 237 total cpu time spent up to now is 156.1 secs Computing kpt #: 238 total cpu time spent up to now is 156.7 secs Computing kpt #: 239 total cpu time spent up to now is 157.2 secs Computing kpt #: 240 total cpu time spent up to now is 157.8 secs Computing kpt #: 241 total cpu time spent up to now is 158.4 secs Computing kpt #: 242 total cpu time spent up to now is 159.0 secs Computing kpt #: 243 total cpu time spent up to now is 159.7 secs Computing kpt #: 244 total cpu time spent up to now is 160.3 secs Computing kpt #: 245 total cpu time spent up to now is 161.0 secs Computing kpt #: 246 total cpu time spent up to now is 161.6 secs Computing kpt #: 247 total cpu time spent up to now is 162.5 secs Computing kpt #: 248 total cpu time spent up to now is 163.2 secs Computing kpt #: 249 total cpu time spent up to now is 163.9 secs Computing kpt #: 250 total cpu time spent up to now is 164.6 secs Computing kpt #: 251 total cpu time spent up to now is 165.3 secs Computing kpt #: 252 total cpu time spent up to now is 166.0 secs Computing kpt #: 253 total cpu time spent up to now is 166.7 secs Computing kpt #: 254 total cpu time spent up to now is 167.4 secs Computing kpt #: 255 total cpu time spent up to now is 168.1 secs Computing kpt #: 256 total cpu time spent up to now is 168.9 secs Computing kpt #: 257 total cpu time spent up to now is 169.8 secs Computing kpt #: 258 total cpu time spent up to now is 170.6 secs Computing kpt #: 259 total cpu time spent up to now is 171.4 secs Computing kpt #: 260 total cpu time spent up to now is 172.4 secs Computing kpt #: 261 total cpu time spent up to now is 173.1 secs Computing kpt #: 262 total cpu time spent up to now is 173.8 secs Computing kpt #: 263 total cpu time spent up to now is 174.7 secs Computing kpt #: 264 total cpu time spent up to now is 175.5 secs Computing kpt #: 265 total cpu time spent up to now is 176.2 secs Computing kpt #: 266 total cpu time spent up to now is 177.0 secs Computing kpt #: 267 total cpu time spent up to now is 177.8 secs Computing kpt #: 268 total cpu time spent up to now is 178.5 secs Computing kpt #: 269 total cpu time spent up to now is 179.3 secs Computing kpt #: 270 total cpu time spent up to now is 180.4 secs Computing kpt #: 271 total cpu time spent up to now is 181.1 secs Computing kpt #: 272 total cpu time spent up to now is 182.3 secs Computing kpt #: 273 total cpu time spent up to now is 183.0 secs Computing kpt #: 274 total cpu time spent up to now is 184.0 secs Computing kpt #: 275 total cpu time spent up to now is 185.0 secs Computing kpt #: 276 total cpu time spent up to now is 186.0 secs Computing kpt #: 277 total cpu time spent up to now is 186.9 secs Computing kpt #: 278 total cpu time spent up to now is 187.6 secs Computing kpt #: 279 total cpu time spent up to now is 188.3 secs Computing kpt #: 280 total cpu time spent up to now is 189.0 secs Computing kpt #: 281 total cpu time spent up to now is 189.8 secs Computing kpt #: 282 total cpu time spent up to now is 190.5 secs Computing kpt #: 283 total cpu time spent up to now is 191.1 secs Computing kpt #: 284 total cpu time spent up to now is 191.8 secs Computing kpt #: 285 total cpu time spent up to now is 192.5 secs Computing kpt #: 286 total cpu time spent up to now is 193.5 secs Computing kpt #: 287 total cpu time spent up to now is 194.2 secs Computing kpt #: 288 total cpu time spent up to now is 194.9 secs Computing kpt #: 289 total cpu time spent up to now is 195.5 secs Computing kpt #: 290 total cpu time spent up to now is 196.2 secs Computing kpt #: 291 total cpu time spent up to now is 196.9 secs Computing kpt #: 292 total cpu time spent up to now is 197.5 secs Computing kpt #: 293 total cpu time spent up to now is 198.2 secs Computing kpt #: 294 total cpu time spent up to now is 198.8 secs Computing kpt #: 295 total cpu time spent up to now is 199.5 secs Computing kpt #: 296 total cpu time spent up to now is 200.1 secs Computing kpt #: 297 total cpu time spent up to now is 200.8 secs Computing kpt #: 298 total cpu time spent up to now is 201.4 secs Computing kpt #: 299 total cpu time spent up to now is 202.1 secs Computing kpt #: 300 total cpu time spent up to now is 202.8 secs Computing kpt #: 301 total cpu time spent up to now is 203.4 secs Computing kpt #: 302 total cpu time spent up to now is 204.1 secs Computing kpt #: 303 total cpu time spent up to now is 204.8 secs Computing kpt #: 304 total cpu time spent up to now is 205.5 secs Computing kpt #: 305 total cpu time spent up to now is 206.2 secs Computing kpt #: 306 total cpu time spent up to now is 207.3 secs Computing kpt #: 307 total cpu time spent up to now is 208.0 secs Computing kpt #: 308 total cpu time spent up to now is 208.8 secs Computing kpt #: 309 total cpu time spent up to now is 209.5 secs Computing kpt #: 310 total cpu time spent up to now is 210.2 secs Computing kpt #: 311 total cpu time spent up to now is 211.0 secs Computing kpt #: 312 total cpu time spent up to now is 211.7 secs Computing kpt #: 313 total cpu time spent up to now is 212.3 secs Computing kpt #: 314 total cpu time spent up to now is 213.0 secs Computing kpt #: 315 total cpu time spent up to now is 214.1 secs Computing kpt #: 316 total cpu time spent up to now is 214.8 secs Computing kpt #: 317 total cpu time spent up to now is 215.5 secs Computing kpt #: 318 total cpu time spent up to now is 216.2 secs Computing kpt #: 319 total cpu time spent up to now is 216.9 secs Computing kpt #: 320 total cpu time spent up to now is 217.6 secs Computing kpt #: 321 total cpu time spent up to now is 218.3 secs Computing kpt #: 322 total cpu time spent up to now is 218.8 secs Computing kpt #: 323 total cpu time spent up to now is 219.6 secs Computing kpt #: 324 total cpu time spent up to now is 220.3 secs Computing kpt #: 325 total cpu time spent up to now is 221.1 secs Computing kpt #: 326 total cpu time spent up to now is 221.9 secs Computing kpt #: 327 total cpu time spent up to now is 222.6 secs Computing kpt #: 328 total cpu time spent up to now is 223.4 secs Computing kpt #: 329 total cpu time spent up to now is 224.2 secs Computing kpt #: 330 total cpu time spent up to now is 225.0 secs Computing kpt #: 331 total cpu time spent up to now is 225.7 secs Computing kpt #: 332 total cpu time spent up to now is 226.6 secs Computing kpt #: 333 total cpu time spent up to now is 227.5 secs Computing kpt #: 334 total cpu time spent up to now is 228.3 secs Computing kpt #: 335 total cpu time spent up to now is 229.2 secs ethr = 2.63E-08, avg # of iterations = 28.6 total cpu time spent up to now is 229.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1014 -31.1014 -12.1832 -12.1832 -12.1134 -12.1134 -10.8229 -10.8229 -10.7019 -10.7019 -10.6955 -10.6955 -10.6650 -10.6650 -1.8229 -1.8229 0.5429 0.5429 2.3270 2.3270 7.5131 7.5131 7.5723 7.5723 8.6325 8.6325 8.8280 8.8280 8.8826 8.8826 8.9186 8.9186 10.5728 10.5728 10.6161 10.6161 11.3965 11.3965 12.7162 12.7162 13.3577 13.3577 13.9714 13.9714 k = 0.0000 0.0000 0.0235 ( 3127 PWs) bands (ev): -31.1146 -31.1146 -31.1013 -31.1013 -12.1832 -12.1832 -12.1135 -12.1135 -10.8229 -10.8229 -10.7020 -10.7020 -10.6956 -10.6956 -10.6650 -10.6650 -1.8215 -1.8215 0.5434 0.5434 2.3278 2.3278 7.5012 7.5012 7.5603 7.5603 8.6496 8.6496 8.8224 8.8224 8.8754 8.8754 8.9258 8.9258 10.5829 10.5829 10.6193 10.6193 11.3950 11.3950 12.7198 12.7198 13.3454 13.3454 13.9685 13.9685 k = 0.0000 0.0000 0.0470 ( 3131 PWs) bands (ev): -31.1146 -31.1146 -31.1013 -31.1013 -12.1833 -12.1833 -12.1137 -12.1137 -10.8228 -10.8228 -10.7024 -10.7024 -10.6960 -10.6960 -10.6651 -10.6651 -1.8172 -1.8172 0.5450 0.5450 2.3301 2.3301 7.4653 7.4653 7.5277 7.5277 8.6972 8.6972 8.8055 8.8055 8.8636 8.8636 8.9388 8.9388 10.6115 10.6115 10.6299 10.6299 11.3908 11.3908 12.7299 12.7299 13.3091 13.3091 13.9548 13.9548 k = 0.0000 0.0000 0.0705 ( 3129 PWs) bands (ev): -31.1145 -31.1145 -31.1013 -31.1013 -12.1834 -12.1834 -12.1141 -12.1141 -10.8227 -10.8227 -10.7030 -10.7030 -10.6966 -10.6966 -10.6653 -10.6653 -1.8101 -1.8101 0.5475 0.5475 2.3338 2.3338 7.4069 7.4069 7.4804 7.4804 8.7490 8.7490 8.7975 8.7975 8.8531 8.8531 8.9519 8.9519 10.6392 10.6392 10.6659 10.6659 11.3838 11.3838 12.7445 12.7445 13.2504 13.2504 13.9095 13.9095 k = 0.0000 0.0000 0.0940 ( 3135 PWs) bands (ev): -31.1145 -31.1145 -31.1012 -31.1012 -12.1835 -12.1835 -12.1146 -12.1146 -10.8225 -10.8225 -10.7039 -10.7039 -10.6975 -10.6975 -10.6655 -10.6655 -1.8002 -1.8002 0.5510 0.5510 2.3390 2.3390 7.3309 7.3309 7.4215 7.4215 8.7233 8.7233 8.8393 8.8393 8.8793 8.8793 8.9647 8.9647 10.6605 10.6605 10.7306 10.7306 11.3743 11.3743 12.7597 12.7597 13.1729 13.1729 13.8172 13.8172 k = 0.0000 0.0000 0.1175 ( 3139 PWs) bands (ev): -31.1144 -31.1144 -31.1012 -31.1012 -12.1836 -12.1836 -12.1152 -12.1152 -10.8223 -10.8223 -10.7049 -10.7049 -10.6987 -10.6987 -10.6658 -10.6658 -1.7876 -1.7876 0.5556 0.5556 2.3454 2.3454 7.2434 7.2434 7.3524 7.3524 8.6759 8.6759 8.8287 8.8287 8.9616 8.9616 8.9996 8.9996 10.6864 10.6864 10.8104 10.8104 11.3627 11.3627 12.7698 12.7698 13.0815 13.0815 13.7346 13.7346 k = 0.0000 0.0000 0.1410 ( 3135 PWs) bands (ev): -31.1143 -31.1143 -31.1011 -31.1011 -12.1838 -12.1838 -12.1160 -12.1160 -10.8220 -10.8220 -10.7063 -10.7063 -10.7001 -10.7001 -10.6662 -10.6662 -1.7721 -1.7721 0.5612 0.5612 2.3530 2.3530 7.1488 7.1488 7.2746 7.2746 8.6204 8.6204 8.8155 8.8155 8.9778 8.9778 9.1126 9.1126 10.7173 10.7173 10.9016 10.9016 11.3491 11.3491 12.7674 12.7674 12.9814 12.9814 13.6750 13.6750 k = 0.0000 0.0000 0.1645 ( 3143 PWs) bands (ev): -31.1141 -31.1141 -31.1011 -31.1011 -12.1841 -12.1841 -12.1169 -12.1169 -10.8217 -10.8217 -10.7078 -10.7078 -10.7017 -10.7017 -10.6666 -10.6666 -1.7540 -1.7540 0.5679 0.5679 2.3615 2.3615 7.0499 7.0499 7.1897 7.1897 8.5587 8.5587 8.8008 8.8008 8.9863 8.9863 9.2409 9.2409 10.7533 10.7533 11.0004 11.0004 11.3341 11.3341 12.7454 12.7454 12.8780 12.8780 13.6466 13.6466 k = 0.0000 0.0000 0.1880 ( 3145 PWs) bands (ev): -31.1140 -31.1140 -31.1010 -31.1010 -12.1843 -12.1843 -12.1180 -12.1180 -10.8214 -10.8214 -10.7095 -10.7095 -10.7035 -10.7035 -10.6671 -10.6671 -1.7332 -1.7332 0.5757 0.5757 2.3709 2.3709 6.9486 6.9486 7.0997 7.0997 8.4917 8.4917 8.7847 8.7847 8.9931 8.9931 9.3766 9.3766 10.7940 10.7940 11.1029 11.1029 11.3179 11.3179 12.7004 12.7004 12.7769 12.7769 13.6525 13.6525 k = 0.0000 0.0000 0.2115 ( 3145 PWs) bands (ev): -31.1138 -31.1138 -31.1009 -31.1009 -12.1846 -12.1846 -12.1191 -12.1191 -10.8209 -10.8209 -10.7115 -10.7115 -10.7056 -10.7056 -10.6676 -10.6676 -1.7098 -1.7098 0.5846 0.5846 2.3807 2.3807 6.8461 6.8461 7.0061 7.0061 8.4204 8.4204 8.7674 8.7674 8.9984 8.9984 9.5179 9.5179 10.8394 10.8394 11.2038 11.2038 11.3012 11.3012 12.6352 12.6352 12.6836 12.6836 13.6901 13.6901 k = 0.0000 0.0000 0.2349 ( 3141 PWs) bands (ev): -31.1136 -31.1136 -31.1008 -31.1008 -12.1849 -12.1849 -12.1204 -12.1204 -10.8205 -10.8205 -10.7136 -10.7136 -10.7079 -10.7079 -10.6683 -10.6683 -1.6839 -1.6839 0.5946 0.5946 2.3908 2.3908 6.7431 6.7431 6.9104 6.9104 8.3456 8.3456 8.7492 8.7492 9.0022 9.0022 9.6638 9.6638 10.8891 10.8891 11.2816 11.2816 11.2990 11.2990 12.5590 12.5590 12.6019 12.6019 13.7528 13.7528 k = 0.0000 0.0000 0.2584 ( 3133 PWs) bands (ev): -31.1133 -31.1133 -31.1006 -31.1006 -12.1853 -12.1853 -12.1218 -12.1218 -10.8200 -10.8200 -10.7159 -10.7159 -10.7103 -10.7103 -10.6690 -10.6690 -1.6555 -1.6555 0.6058 0.6058 2.4008 2.4008 6.6402 6.6402 6.8141 6.8141 8.2680 8.2680 8.7301 8.7301 9.0043 9.0043 9.8137 9.8137 10.9429 10.9429 11.2663 11.2663 11.3728 11.3728 12.4796 12.4796 12.5392 12.5392 13.7398 13.7398 k = 0.0000 0.0000 0.2819 ( 3133 PWs) bands (ev): -31.1131 -31.1131 -31.1005 -31.1005 -12.1857 -12.1857 -12.1233 -12.1233 -10.8194 -10.8194 -10.7183 -10.7183 -10.7130 -10.7130 -10.6698 -10.6698 -1.6247 -1.6247 0.6182 0.6182 2.4105 2.4105 6.5377 6.5377 6.7184 6.7184 8.1884 8.1884 8.7104 8.7104 9.0042 9.0042 9.9669 9.9669 11.0005 11.0005 11.2500 11.2500 11.4204 11.4204 12.3972 12.3972 12.5103 12.5103 13.5790 13.5790 k = 0.0000 0.0000 0.3054 ( 3137 PWs) bands (ev): -31.1128 -31.1128 -31.1004 -31.1004 -12.1861 -12.1861 -12.1249 -12.1249 -10.8188 -10.8188 -10.7209 -10.7209 -10.7158 -10.7158 -10.6706 -10.6706 -1.5916 -1.5916 0.6318 0.6318 2.4193 2.4193 6.4358 6.4358 6.6244 6.6244 8.1074 8.1074 8.6902 8.6902 9.0018 9.0018 10.1228 10.1228 11.0616 11.0616 11.2349 11.2349 11.4321 11.4321 12.3150 12.3150 12.5234 12.5234 13.4110 13.4110 k = 0.0000 0.0000 0.3289 ( 3127 PWs) bands (ev): -31.1125 -31.1125 -31.1002 -31.1002 -12.1865 -12.1865 -12.1266 -12.1266 -10.8182 -10.8182 -10.7237 -10.7237 -10.7187 -10.7187 -10.6715 -10.6715 -1.5563 -1.5563 0.6467 0.6467 2.4270 2.4270 6.3348 6.3348 6.5331 6.5331 8.0257 8.0257 8.6698 8.6698 8.9965 8.9965 10.2807 10.2807 11.1252 11.1252 11.2223 11.2223 11.4075 11.4075 12.2363 12.2363 12.5779 12.5779 13.2397 13.2397 k = 0.0000 0.0000 0.3524 ( 3127 PWs) bands (ev): -31.1122 -31.1122 -31.1001 -31.1001 -12.1869 -12.1869 -12.1284 -12.1284 -10.8175 -10.8175 -10.7265 -10.7265 -10.7217 -10.7217 -10.6725 -10.6725 -1.5189 -1.5189 0.6628 0.6628 2.4331 2.4331 6.2347 6.2347 6.4453 6.4453 7.9438 7.9438 8.6493 8.6493 8.9879 8.9879 10.4396 10.4396 11.1846 11.1846 11.2186 11.2186 11.3544 11.3544 12.1636 12.1636 12.6654 12.6654 13.0676 13.0676 k = 0.0000 0.0000 0.3759 ( 3119 PWs) bands (ev): -31.1119 -31.1119 -31.0999 -31.0999 -12.1874 -12.1874 -12.1303 -12.1303 -10.8168 -10.8168 -10.7295 -10.7295 -10.7249 -10.7249 -10.6736 -10.6736 -1.4795 -1.4795 0.6803 0.6803 2.4371 2.4371 6.1356 6.1356 6.3620 6.3620 7.8623 7.8623 8.6288 8.6288 8.9756 8.9756 10.5975 10.5975 11.1967 11.1967 11.2511 11.2511 11.2997 11.2997 12.0983 12.0983 12.7715 12.7715 12.9001 12.9001 k = 0.0000 0.0000 0.3994 ( 3125 PWs) bands (ev): -31.1116 -31.1116 -31.0997 -31.0997 -12.1879 -12.1879 -12.1322 -12.1322 -10.8160 -10.8160 -10.7326 -10.7326 -10.7281 -10.7281 -10.6747 -10.6747 -1.4382 -1.4382 0.6992 0.6992 2.4387 2.4387 6.0374 6.0374 6.2839 6.2839 7.7817 7.7817 8.6084 8.6084 8.9593 8.9593 10.7499 10.7499 11.1711 11.1711 11.2148 11.2148 11.3510 11.3510 12.0416 12.0416 12.7140 12.7140 12.9116 12.9116 k = 0.0000 0.0000 0.4229 ( 3121 PWs) bands (ev): -31.1112 -31.1112 -31.0996 -31.0996 -12.1884 -12.1884 -12.1342 -12.1342 -10.8152 -10.8152 -10.7358 -10.7358 -10.7314 -10.7314 -10.6759 -10.6759 -1.3951 -1.3951 0.7194 0.7194 2.4372 2.4372 5.9401 5.9401 6.2116 6.2116 7.7023 7.7023 8.5884 8.5884 8.9386 8.9386 10.8850 10.8850 11.0838 11.0838 11.2326 11.2326 11.4262 11.4262 11.9944 11.9944 12.5459 12.5459 13.0432 13.0432 k = 0.0000 0.0000 0.4464 ( 3129 PWs) bands (ev): -31.1109 -31.1109 -31.0994 -31.0994 -12.1889 -12.1889 -12.1363 -12.1363 -10.8144 -10.8144 -10.7390 -10.7390 -10.7347 -10.7347 -10.6772 -10.6772 -1.3503 -1.3503 0.7411 0.7411 2.4325 2.4325 5.8438 5.8438 6.1457 6.1457 7.6247 7.6247 8.5687 8.5687 8.9135 8.9135 10.9598 10.9598 11.0078 11.0078 11.2974 11.2974 11.5056 11.5056 11.9572 11.9572 12.3776 12.3776 13.1806 13.1806 k = 0.0000 0.0000 0.4699 ( 3129 PWs) bands (ev): -31.1105 -31.1105 -31.0993 -31.0993 -12.1895 -12.1895 -12.1384 -12.1384 -10.8136 -10.8136 -10.7423 -10.7423 -10.7381 -10.7381 -10.6785 -10.6785 -1.3039 -1.3039 0.7643 0.7643 2.4239 2.4239 5.7483 5.7483 6.0869 6.0869 7.5491 7.5491 8.5494 8.5494 8.8837 8.8837 10.8756 10.8756 11.0384 11.0384 11.4152 11.4152 11.5879 11.5879 11.9304 11.9304 12.2123 12.2123 13.3183 13.3183 k = 0.0000 0.0000 0.4934 ( 3129 PWs) bands (ev): -31.1101 -31.1101 -31.0991 -31.0991 -12.1900 -12.1900 -12.1406 -12.1406 -10.8127 -10.8127 -10.7457 -10.7457 -10.7414 -10.7414 -10.6798 -10.6798 -1.2561 -1.2561 0.7889 0.7889 2.4113 2.4113 5.6537 5.6537 6.0353 6.0353 7.4759 7.4759 8.5307 8.5307 8.8493 8.8493 10.7739 10.7739 11.0564 11.0564 11.5629 11.5629 11.6727 11.6727 11.9133 11.9133 12.0533 12.0533 13.4530 13.4530 k = 0.0000 0.0000 0.5169 ( 3133 PWs) bands (ev): -31.1097 -31.1097 -31.0989 -31.0989 -12.1906 -12.1906 -12.1428 -12.1428 -10.8118 -10.8118 -10.7491 -10.7491 -10.7448 -10.7448 -10.6813 -10.6813 -1.2070 -1.2070 0.8151 0.8151 2.3943 2.3943 5.5599 5.5599 5.9915 5.9915 7.4055 7.4055 8.5127 8.5127 8.8105 8.8105 10.6717 10.6717 11.0639 11.0639 11.7056 11.7056 11.7605 11.7605 11.8932 11.8932 11.9306 11.9306 13.5823 13.5823 k = 0.0000 0.0000 0.5404 ( 3133 PWs) bands (ev): -31.1093 -31.1093 -31.0987 -31.0987 -12.1912 -12.1912 -12.1450 -12.1450 -10.8110 -10.8110 -10.7524 -10.7524 -10.7481 -10.7481 -10.6827 -10.6827 -1.1567 -1.1567 0.8429 0.8429 2.3727 2.3727 5.4668 5.4668 5.9554 5.9554 7.3380 7.3380 8.4953 8.4953 8.7676 8.7676 10.5704 10.5704 11.0674 11.0674 11.6861 11.6861 11.8446 11.8446 11.9189 11.9189 11.9513 11.9513 13.7046 13.7046 k = 0.0000 0.0000 0.5639 ( 3135 PWs) bands (ev): -31.1089 -31.1089 -31.0986 -31.0986 -12.1918 -12.1918 -12.1472 -12.1472 -10.8102 -10.8102 -10.7558 -10.7558 -10.7513 -10.7513 -10.6842 -10.6842 -1.1053 -1.1053 0.8723 0.8723 2.3465 2.3465 5.3743 5.3743 5.9273 5.9273 7.2738 7.2738 8.4787 8.4787 8.7209 8.7209 10.4705 10.4705 11.0693 11.0693 11.5470 11.5470 11.9177 11.9177 11.9526 11.9526 12.1153 12.1153 13.8186 13.8186 k = 0.0000 0.0000 0.5874 ( 3129 PWs) bands (ev): -31.1084 -31.1084 -31.0984 -31.0984 -12.1923 -12.1923 -12.1495 -12.1495 -10.8094 -10.8094 -10.7592 -10.7592 -10.7544 -10.7544 -10.6858 -10.6858 -1.0531 -1.0531 0.9034 0.9034 2.3155 2.3155 5.2825 5.2825 5.9070 5.9070 7.2131 7.2131 8.4629 8.4629 8.6709 8.6709 10.3724 10.3724 11.0692 11.0692 11.4021 11.4021 11.9532 11.9532 12.0339 12.0339 12.2953 12.2953 13.9243 13.9243 k = 0.0000 0.0000 0.6109 ( 3123 PWs) bands (ev): -31.1080 -31.1080 -31.0982 -31.0982 -12.1929 -12.1929 -12.1518 -12.1518 -10.8087 -10.8087 -10.7625 -10.7625 -10.7575 -10.7575 -10.6874 -10.6874 -1.0000 -1.0000 0.9361 0.9361 2.2800 2.2800 5.1912 5.1912 5.8944 5.8944 7.1562 7.1562 8.4479 8.4479 8.6181 8.6181 10.2764 10.2764 11.0618 11.0618 11.2669 11.2669 11.9896 11.9896 12.1247 12.1247 12.4799 12.4799 14.0220 14.0220 k = 0.0000 0.0000 0.6344 ( 3121 PWs) bands (ev): -31.1075 -31.1075 -31.0981 -31.0981 -12.1935 -12.1935 -12.1540 -12.1540 -10.8081 -10.8081 -10.7658 -10.7658 -10.7603 -10.7603 -10.6890 -10.6890 -0.9462 -0.9462 0.9705 0.9705 2.2400 2.2400 5.1004 5.1004 5.8891 5.8891 7.1032 7.1032 8.4336 8.4336 8.5632 8.5632 10.1826 10.1826 11.0207 11.0207 11.1701 11.1701 12.0341 12.0341 12.2171 12.2171 12.6670 12.6670 14.1125 14.1125 k = 0.0000 0.0000 0.6578 ( 3121 PWs) bands (ev): -31.1071 -31.1071 -31.0979 -31.0979 -12.1940 -12.1940 -12.1562 -12.1562 -10.8076 -10.8076 -10.7691 -10.7691 -10.7629 -10.7629 -10.6907 -10.6907 -0.8919 -0.8919 1.0067 1.0067 2.1959 2.1959 5.0100 5.0100 5.8907 5.8907 7.0543 7.0543 8.4199 8.4199 8.5068 8.5068 10.0909 10.0909 10.9165 10.9165 11.1416 11.1416 12.0868 12.0868 12.3100 12.3100 12.8556 12.8556 14.1968 14.1968 k = 0.0000 0.0000 0.6813 ( 3117 PWs) bands (ev): -31.1066 -31.1066 -31.0977 -31.0977 -12.1946 -12.1946 -12.1585 -12.1585 -10.8073 -10.8073 -10.7723 -10.7723 -10.7653 -10.7653 -10.6924 -10.6924 -0.8372 -0.8372 1.0446 1.0446 2.1478 2.1478 4.9200 4.9200 5.8989 5.8989 7.0097 7.0097 8.4054 8.4054 8.4510 8.4510 10.0014 10.0014 10.7884 10.7884 11.1431 11.1431 12.1473 12.1473 12.4026 12.4026 13.0449 13.0449 14.2762 14.2762 k = 0.0000 0.0000 0.7048 ( 3121 PWs) bands (ev): -31.1062 -31.1062 -31.0976 -31.0976 -12.1951 -12.1951 -12.1607 -12.1607 -10.8072 -10.8072 -10.7755 -10.7755 -10.7672 -10.7672 -10.6941 -10.6941 -0.7821 -0.7821 1.0843 1.0843 2.0962 2.0962 4.8302 4.8302 5.9130 5.9130 6.9695 6.9695 8.3771 8.3771 8.4092 8.4092 9.9140 9.9140 10.6573 10.6573 11.1537 11.1537 12.2152 12.2152 12.4944 12.4944 13.2344 13.2344 14.3514 14.3514 k = 0.0000 0.0000 0.7283 ( 3113 PWs) bands (ev): -31.1057 -31.1057 -31.0974 -31.0974 -12.1957 -12.1957 -12.1629 -12.1629 -10.8073 -10.8073 -10.7787 -10.7787 -10.7688 -10.7688 -10.6958 -10.6958 -0.7269 -0.7269 1.1257 1.1257 2.0415 2.0415 4.7407 4.7407 5.9325 5.9325 6.9339 6.9339 8.3236 8.3236 8.3934 8.3934 9.8287 9.8287 10.5279 10.5279 11.1690 11.1690 12.2900 12.2900 12.5846 12.5846 13.4233 13.4233 14.4234 14.4234 k = 0.0000 0.0000 0.7518 ( 3117 PWs) bands (ev): -31.1053 -31.1053 -31.0973 -31.0973 -12.1962 -12.1962 -12.1650 -12.1650 -10.8077 -10.8077 -10.7818 -10.7818 -10.7700 -10.7700 -10.6976 -10.6976 -0.6715 -0.6715 1.1690 1.1690 1.9841 1.9841 4.6514 4.6514 5.9567 5.9567 6.9028 6.9028 8.2653 8.2653 8.3836 8.3836 9.7452 9.7452 10.4017 10.4017 11.1878 11.1878 12.3713 12.3713 12.6725 12.6725 13.6109 13.6109 14.4926 14.4926 k = 0.0000 0.0000 0.7753 ( 3119 PWs) bands (ev): -31.1049 -31.1049 -31.0972 -31.0972 -12.1967 -12.1967 -12.1671 -12.1671 -10.8084 -10.8084 -10.7848 -10.7848 -10.7708 -10.7708 -10.6994 -10.6994 -0.6162 -0.6162 1.2141 1.2141 1.9243 1.9243 4.5622 4.5622 5.9850 5.9850 6.8764 6.8764 8.2068 8.2068 8.3757 8.3757 9.6633 9.6633 10.2792 10.2792 11.2097 11.2097 12.4586 12.4586 12.7569 12.7569 13.7963 13.7963 14.5595 14.5595 k = 0.0000 0.0000 0.7988 ( 3115 PWs) bands (ev): -31.1044 -31.1044 -31.0970 -31.0970 -12.1972 -12.1972 -12.1691 -12.1691 -10.8093 -10.8093 -10.7878 -10.7878 -10.7711 -10.7711 -10.7012 -10.7012 -0.5609 -0.5609 1.2610 1.2610 1.8626 1.8626 4.4731 4.4731 6.0169 6.0169 6.8546 6.8546 8.1489 8.1489 8.3694 8.3694 9.5830 9.5830 10.1606 10.1606 11.2344 11.2344 12.5515 12.5515 12.8368 12.8368 13.9784 13.9784 14.6228 14.6229 k = 0.0000 0.0000 0.8223 ( 3119 PWs) bands (ev): -31.1040 -31.1040 -31.0969 -31.0969 -12.1976 -12.1976 -12.1712 -12.1712 -10.8104 -10.8104 -10.7908 -10.7908 -10.7711 -10.7711 -10.7030 -10.7030 -0.5057 -0.5057 1.3098 1.3098 1.7993 1.7993 4.3841 4.3841 6.0517 6.0517 6.8375 6.8375 8.0921 8.0921 8.3644 8.3644 9.5038 9.5038 10.0463 10.0463 11.2620 11.2620 12.6496 12.6496 12.9107 12.9107 14.1560 14.1560 14.5993 14.5993 k = 0.0000 0.0000 0.8458 ( 3125 PWs) bands (ev): -31.1036 -31.1036 -31.0968 -31.0968 -12.1980 -12.1980 -12.1731 -12.1731 -10.8117 -10.8117 -10.7936 -10.7936 -10.7707 -10.7707 -10.7048 -10.7048 -0.4508 -0.4508 1.3604 1.3604 1.7349 1.7349 4.2951 4.2951 6.0889 6.0889 6.8249 6.8249 8.0369 8.0369 8.3608 8.3608 9.4256 9.4256 9.9362 9.9362 11.2922 11.2922 12.7525 12.7525 12.9770 12.9770 14.3275 14.3275 14.5164 14.5164 k = 0.0000 0.0000 0.8693 ( 3121 PWs) bands (ev): -31.1031 -31.1031 -31.0967 -31.0967 -12.1984 -12.1984 -12.1750 -12.1750 -10.8130 -10.8130 -10.7964 -10.7964 -10.7701 -10.7701 -10.7066 -10.7066 -0.3962 -0.3962 1.4127 1.4127 1.6696 1.6696 4.2062 4.2062 6.1279 6.1279 6.8167 6.8167 7.9837 7.9837 8.3587 8.3587 9.3481 9.3481 9.8304 9.8304 11.3251 11.3251 12.8597 12.8597 13.0338 13.0338 14.4379 14.4379 14.4913 14.4913 k = 0.0000 0.0000 0.8928 ( 3121 PWs) bands (ev): -31.1027 -31.1027 -31.0966 -31.0966 -12.1988 -12.1988 -12.1769 -12.1769 -10.8145 -10.8145 -10.7991 -10.7991 -10.7692 -10.7692 -10.7085 -10.7085 -0.3418 -0.3418 1.4668 1.4668 1.6040 1.6040 4.1174 4.1174 6.1682 6.1682 6.8127 6.8127 7.9328 7.9328 8.3579 8.3579 9.2711 9.2711 9.7289 9.7289 11.3607 11.3607 12.9706 12.9706 13.0797 13.0797 14.3669 14.3669 14.6446 14.6446 k = 0.0000 0.0000 0.9163 ( 3121 PWs) bands (ev): -31.1023 -31.1023 -31.0966 -31.0966 -12.1991 -12.1991 -12.1786 -12.1786 -10.8160 -10.8160 -10.8017 -10.8017 -10.7681 -10.7681 -10.7103 -10.7103 -0.2878 -0.2878 1.5195 1.5195 1.5412 1.5412 4.0285 4.0285 6.2093 6.2093 6.8127 6.8127 7.8846 7.8846 8.3586 8.3586 9.1943 9.1943 9.6319 9.6319 11.3988 11.3988 13.0818 13.0818 13.1158 13.1158 14.3048 14.3048 14.7261 14.7261 k = 0.0000 0.0000 0.9398 ( 3125 PWs) bands (ev): -31.1019 -31.1019 -31.0965 -31.0965 -12.1993 -12.1993 -12.1803 -12.1803 -10.8174 -10.8174 -10.8042 -10.8042 -10.7669 -10.7669 -10.7122 -10.7122 -0.2342 -0.2342 1.4704 1.4704 1.5819 1.5819 3.9397 3.9397 6.2509 6.2509 6.8161 6.8161 7.8397 7.8397 8.3608 8.3608 9.1174 9.1174 9.5391 9.5391 11.4396 11.4396 13.1260 13.1260 13.2079 13.2079 14.2528 14.2528 14.7122 14.7122 k = 0.0000 0.0000 0.9633 ( 3121 PWs) bands (ev): -31.1015 -31.1015 -31.0965 -31.0965 -12.1996 -12.1996 -12.1820 -12.1820 -10.8188 -10.8188 -10.8065 -10.8065 -10.7655 -10.7655 -10.7140 -10.7140 -0.1809 -0.1809 1.4047 1.4047 1.6413 1.6413 3.8510 3.8510 6.2927 6.2927 6.8226 6.8226 7.7985 7.7985 8.3646 8.3646 9.0403 9.0403 9.4507 9.4507 11.4829 11.4829 13.1298 13.1298 13.3282 13.3282 14.2118 14.2118 14.7119 14.7119 k = 0.0000 0.0000 0.9868 ( 3115 PWs) bands (ev): -31.1011 -31.1011 -31.0964 -31.0964 -12.1998 -12.1998 -12.1836 -12.1836 -10.8202 -10.8202 -10.8088 -10.8088 -10.7640 -10.7640 -10.7159 -10.7159 -0.1279 -0.1279 1.3390 1.3390 1.7027 1.7027 3.7624 3.7624 6.3342 6.3342 6.8315 6.8315 7.7617 7.7617 8.3700 8.3700 8.9628 8.9628 9.3666 9.3666 11.5288 11.5288 13.1181 13.1181 13.4520 13.4520 14.1825 14.1825 14.7250 14.7250 k = 0.0000 0.0000 1.0103 ( 3111 PWs) bands (ev): -31.1007 -31.1007 -31.0964 -31.0964 -12.1999 -12.1999 -12.1851 -12.1851 -10.8214 -10.8214 -10.8110 -10.8110 -10.7624 -10.7624 -10.7178 -10.7178 -0.0752 -0.0752 1.2739 1.2739 1.7659 1.7659 3.6740 3.6740 6.3754 6.3754 6.8420 6.8420 7.7299 7.7299 8.3770 8.3770 8.8849 8.8849 9.2866 9.2866 11.5771 11.5771 13.0928 13.0928 13.5781 13.5781 14.1653 14.1653 14.7500 14.7500 k = 0.0000 0.0000 1.0338 ( 3114 PWs) bands (ev): -31.1004 -31.1004 -31.0964 -31.0964 -12.2000 -12.2000 -12.1865 -12.1865 -10.8226 -10.8226 -10.8130 -10.8130 -10.7607 -10.7607 -10.7197 -10.7197 -0.0228 -0.0228 1.2093 1.2093 1.8308 1.8308 3.5857 3.5857 6.4158 6.4158 6.8532 6.8532 7.7039 7.7039 8.3857 8.3857 8.8065 8.8065 9.2109 9.2109 11.6278 11.6278 13.0556 13.0556 13.7059 13.7059 14.1606 14.1606 14.7848 14.7848 k = 0.0000 0.0000 1.0573 ( 3118 PWs) bands (ev): -31.1000 -31.1000 -31.0964 -31.0964 -12.2001 -12.2001 -12.1878 -12.1878 -10.8236 -10.8236 -10.8149 -10.8149 -10.7590 -10.7590 -10.7216 -10.7216 0.0294 0.0294 1.1455 1.1455 1.8974 1.8974 3.4977 3.4977 6.4554 6.4554 6.8640 6.8640 7.6847 7.6847 8.3962 8.3962 8.7277 8.7277 9.1392 9.1392 11.6809 11.6809 13.0087 13.0087 13.8348 13.8348 14.1685 14.1685 14.8270 14.8270 k = 0.0000 0.0000 1.0807 ( 3110 PWs) bands (ev): -31.0997 -31.0997 -31.0964 -31.0964 -12.2001 -12.2001 -12.1891 -12.1891 -10.8245 -10.8245 -10.8167 -10.8167 -10.7573 -10.7573 -10.7234 -10.7234 0.0815 0.0815 1.0825 1.0825 1.9657 1.9657 3.4100 3.4100 6.4941 6.4941 6.8732 6.8732 7.6733 7.6733 8.4084 8.4084 8.6487 8.6487 9.0714 9.0714 11.7364 11.7364 12.9539 12.9539 13.9642 13.9642 14.1890 14.1890 14.8744 14.8744 k = 0.0000 0.0000 1.1042 ( 3110 PWs) bands (ev): -31.0994 -31.0994 -31.0965 -31.0965 -12.2000 -12.2000 -12.1903 -12.1903 -10.8253 -10.8253 -10.8183 -10.8183 -10.7555 -10.7555 -10.7253 -10.7253 0.1334 0.1334 1.0204 1.0204 2.0355 2.0355 3.3226 3.3226 6.5318 6.5318 6.8798 6.8798 7.6704 7.6704 8.4218 8.4218 8.5701 8.5701 9.0076 9.0076 11.7940 11.7940 12.8931 12.8931 14.0932 14.0932 14.2220 14.2220 14.9248 14.9248 k = 0.0000 0.0000 1.1277 ( 3122 PWs) bands (ev): -31.0991 -31.0991 -31.0966 -31.0966 -12.1999 -12.1999 -12.1915 -12.1915 -10.8260 -10.8260 -10.8198 -10.8198 -10.7537 -10.7537 -10.7272 -10.7272 0.1854 0.1854 0.9591 0.9591 2.1069 2.1069 3.2357 3.2357 6.5683 6.5683 6.8826 6.8826 7.6769 7.6769 8.4337 8.4337 8.4952 8.4952 8.9476 8.9476 11.8539 11.8539 12.8277 12.8277 14.2206 14.2206 14.2678 14.2678 14.9765 14.9765 k = 0.0000 0.0000 1.1512 ( 3126 PWs) bands (ev): -31.0988 -31.0988 -31.0966 -31.0966 -12.1997 -12.1997 -12.1925 -12.1925 -10.8265 -10.8265 -10.8212 -10.8212 -10.7518 -10.7518 -10.7291 -10.7291 0.2374 0.2374 0.8989 0.8989 2.1799 2.1799 3.1493 3.1493 6.6036 6.6036 6.8812 6.8812 7.6930 7.6930 8.4013 8.4013 8.4671 8.4671 8.8912 8.8912 11.9158 11.9158 12.7591 12.7591 14.3207 14.3207 14.3504 14.3504 15.0281 15.0282 k = 0.0000 0.0000 1.1747 ( 3134 PWs) bands (ev): -31.0986 -31.0986 -31.0967 -31.0967 -12.1995 -12.1995 -12.1935 -12.1935 -10.8268 -10.8268 -10.8224 -10.8224 -10.7500 -10.7500 -10.7310 -10.7310 0.2896 0.2896 0.8396 0.8396 2.2543 2.2543 3.0635 3.0635 6.6377 6.6377 6.8752 6.8752 7.7186 7.7186 8.3271 8.3271 8.4839 8.4839 8.8384 8.8384 11.9797 11.9797 12.6882 12.6882 14.3897 14.3897 14.4716 14.4716 15.0785 15.0785 k = 0.0000 0.0000 1.1982 ( 3126 PWs) bands (ev): -31.0983 -31.0983 -31.0968 -31.0968 -12.1992 -12.1992 -12.1944 -12.1944 -10.8271 -10.8271 -10.8235 -10.8235 -10.7481 -10.7481 -10.7329 -10.7329 0.3421 0.3421 0.7812 0.7812 2.3300 2.3300 2.9783 2.9783 6.6705 6.6705 6.8647 6.8647 7.7533 7.7533 8.2507 8.2507 8.5062 8.5062 8.7891 8.7891 12.0454 12.0454 12.6158 12.6158 14.4675 14.4675 14.5888 14.5888 15.1266 15.1266 k = 0.0000 0.0000 1.2217 ( 3114 PWs) bands (ev): -31.0980 -31.0980 -31.0969 -31.0969 -12.1988 -12.1988 -12.1953 -12.1953 -10.8271 -10.8271 -10.8245 -10.8245 -10.7462 -10.7462 -10.7348 -10.7348 0.3949 0.3949 0.7237 0.7237 2.4072 2.4072 2.8939 2.8939 6.7019 6.7019 6.8501 6.8501 7.7963 7.7963 8.1755 8.1755 8.5316 8.5316 8.7432 8.7432 12.1129 12.1129 12.5428 12.5428 14.5540 14.5540 14.6976 14.6976 15.1720 15.1720 k = 0.0000 0.0000 1.2452 ( 3122 PWs) bands (ev): -31.0978 -31.0978 -31.0971 -31.0971 -12.1984 -12.1984 -12.1960 -12.1960 -10.8271 -10.8271 -10.8253 -10.8253 -10.7443 -10.7443 -10.7367 -10.7367 0.4481 0.4481 0.6671 0.6671 2.4855 2.4855 2.8103 2.8103 6.7318 6.7318 6.8318 6.8318 7.8467 7.8467 8.1024 8.1024 8.5597 8.5597 8.7004 8.7004 12.1819 12.1819 12.4694 12.4694 14.6468 14.6468 14.7912 14.7912 15.1643 15.1643 k = 0.0000 0.0000 1.2687 ( 3130 PWs) bands (ev): -31.0976 -31.0976 -31.0973 -31.0973 -12.1979 -12.1979 -12.1967 -12.1967 -10.8268 -10.8268 -10.8260 -10.8260 -10.7424 -10.7424 -10.7386 -10.7386 0.5018 0.5018 0.6113 0.6113 2.5651 2.5651 2.7275 2.7275 6.7600 6.7600 6.8104 6.8104 7.9034 7.9034 8.0321 8.0321 8.5906 8.5906 8.6608 8.6608 12.2523 12.2523 12.3964 12.3964 14.7413 14.7413 14.8473 14.8473 15.0957 15.0957 k = 0.0000 0.0000 1.2922 ( 3130 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1974 -12.1974 -12.1974 -12.1974 -10.8265 -10.8265 -10.8265 -10.8265 -10.7405 -10.7405 -10.7405 -10.7405 0.5562 0.5562 0.5562 0.5562 2.6458 2.6458 2.6458 2.6458 6.7863 6.7863 6.7863 6.7863 7.9655 7.9655 7.9655 7.9655 8.6243 8.6243 8.6243 8.6243 12.3239 12.3239 12.3239 12.3239 14.8230 14.8230 14.8230 14.8230 15.0958 15.0958 k = 0.0000 0.0000 1.2922 ( 3130 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1974 -12.1974 -12.1974 -12.1974 -10.8265 -10.8265 -10.8265 -10.8265 -10.7405 -10.7405 -10.7405 -10.7405 0.5562 0.5562 0.5562 0.5562 2.6458 2.6458 2.6458 2.6458 6.7863 6.7863 6.7863 6.7863 7.9655 7.9655 7.9655 7.9655 8.6243 8.6243 8.6243 8.6243 12.3239 12.3239 12.3239 12.3239 14.8230 14.8230 14.8230 14.8230 15.0958 15.0958 k =-0.0088 0.0210 1.2922 ( 3130 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1975 -12.1975 -12.1971 -12.1971 -10.8268 -10.8268 -10.8260 -10.8260 -10.7407 -10.7407 -10.7404 -10.7404 0.5546 0.5546 0.5549 0.5549 2.6466 2.6466 2.6488 2.6488 6.7861 6.7861 6.7868 6.7868 7.9606 7.9606 7.9685 7.9685 8.6244 8.6244 8.6295 8.6295 12.3221 12.3221 12.3224 12.3224 14.8193 14.8193 14.8235 14.8235 15.0926 15.0926 k =-0.0176 0.0420 1.2922 ( 3126 PWs) bands (ev): -31.0975 -31.0975 -31.0975 -31.0975 -12.1977 -12.1977 -12.1968 -12.1968 -10.8271 -10.8271 -10.8254 -10.8254 -10.7408 -10.7408 -10.7402 -10.7402 0.5501 0.5501 0.5508 0.5508 2.6511 2.6511 2.6556 2.6556 6.7861 6.7861 6.7876 6.7876 7.9538 7.9538 7.9693 7.9693 8.6299 8.6299 8.6399 8.6399 12.3171 12.3171 12.3177 12.3177 14.8122 14.8122 14.8204 14.8204 15.0892 15.0892 k =-0.0264 0.0629 1.2922 ( 3126 PWs) bands (ev): -31.0975 -31.0975 -31.0975 -31.0975 -12.1977 -12.1977 -12.1965 -12.1965 -10.8272 -10.8272 -10.8247 -10.8247 -10.7408 -10.7408 -10.7400 -10.7400 0.5428 0.5428 0.5438 0.5438 2.6595 2.6595 2.6662 2.6662 6.7864 6.7864 6.7887 6.7887 7.9456 7.9456 7.9682 7.9682 8.6408 8.6408 8.6550 8.6550 12.3094 12.3094 12.3102 12.3102 14.8007 14.8007 14.8125 14.8125 15.0880 15.0880 k =-0.0352 0.0839 1.2922 ( 3128 PWs) bands (ev): -31.0976 -31.0976 -31.0976 -31.0976 -12.1977 -12.1977 -12.1960 -12.1960 -10.8273 -10.8273 -10.8238 -10.8238 -10.7409 -10.7409 -10.7398 -10.7398 0.5327 0.5327 0.5340 0.5340 2.6717 2.6717 2.6805 2.6805 6.7868 6.7868 6.7899 6.7899 7.9363 7.9363 7.9653 7.9653 8.6566 8.6566 8.6744 8.6744 12.2996 12.2996 12.3006 12.3006 14.7843 14.7843 14.7987 14.7987 15.0904 15.0904 k =-0.0440 0.1049 1.2922 ( 3124 PWs) bands (ev): -31.0976 -31.0976 -31.0976 -31.0976 -12.1976 -12.1976 -12.1955 -12.1955 -10.8272 -10.8272 -10.8229 -10.8229 -10.7409 -10.7409 -10.7396 -10.7396 0.5199 0.5199 0.5215 0.5215 2.6876 2.6876 2.6985 2.6985 6.7873 6.7873 6.7911 6.7911 7.9266 7.9266 7.9612 7.9612 8.6771 8.6771 8.6975 8.6975 12.2884 12.2884 12.2895 12.2895 14.7629 14.7629 14.7790 14.7790 15.0956 15.0957 k =-0.0440 0.1049 1.2922 ( 3124 PWs) bands (ev): -31.0976 -31.0976 -31.0976 -31.0976 -12.1976 -12.1976 -12.1955 -12.1955 -10.8272 -10.8272 -10.8229 -10.8229 -10.7409 -10.7409 -10.7396 -10.7396 0.5199 0.5199 0.5215 0.5215 2.6876 2.6876 2.6985 2.6985 6.7873 6.7873 6.7911 6.7911 7.9266 7.9266 7.9612 7.9612 8.6771 8.6771 8.6975 8.6975 12.2884 12.2884 12.2895 12.2895 14.7629 14.7629 14.7790 14.7790 15.0956 15.0957 k =-0.0504 0.1200 1.2758 ( 3122 PWs) bands (ev): -31.0978 -31.0978 -31.0975 -31.0975 -12.1975 -12.1975 -12.1951 -12.1951 -10.8270 -10.8270 -10.8221 -10.8221 -10.7417 -10.7417 -10.7386 -10.7386 0.4735 0.4735 0.5467 0.5467 2.6499 2.6499 2.7656 2.7656 6.7740 6.7740 6.8045 6.8045 7.8912 7.8912 7.9886 7.9886 8.6810 8.6810 8.7307 8.7307 12.2299 12.2299 12.3318 12.3318 14.7332 14.7332 14.7508 14.7508 15.0987 15.0988 k =-0.0567 0.1351 1.2595 ( 3124 PWs) bands (ev): -31.0980 -31.0980 -31.0975 -31.0975 -12.1975 -12.1975 -12.1944 -12.1944 -10.8268 -10.8268 -10.8211 -10.8211 -10.7428 -10.7428 -10.7372 -10.7372 0.4262 0.4262 0.5709 0.5709 2.6091 2.6091 2.8404 2.8404 6.7591 6.7591 6.8166 6.8166 7.8468 7.8468 8.0299 8.0299 8.6823 8.6823 8.7722 8.7722 12.1713 12.1713 12.3753 12.3753 14.6846 14.6846 14.7062 14.7062 15.0994 15.0994 k =-0.0630 0.1502 1.2431 ( 3130 PWs) bands (ev): -31.0982 -31.0982 -31.0975 -31.0975 -12.1975 -12.1975 -12.1937 -12.1937 -10.8265 -10.8265 -10.8200 -10.8200 -10.7440 -10.7440 -10.7358 -10.7358 0.3788 0.3788 0.5934 0.5934 2.5700 2.5700 2.9179 2.9179 6.7445 6.7445 6.8254 6.8254 7.8052 7.8052 8.0743 8.0743 8.6868 8.6868 8.8154 8.8154 12.1137 12.1137 12.4198 12.4198 14.6200 14.6200 14.6592 14.6592 15.0972 15.0972 k =-0.0694 0.1653 1.2267 ( 3126 PWs) bands (ev): -31.0985 -31.0985 -31.0975 -31.0975 -12.1974 -12.1974 -12.1929 -12.1929 -10.8261 -10.8261 -10.8188 -10.8188 -10.7451 -10.7451 -10.7343 -10.7343 0.3316 0.3316 0.6142 0.6142 2.5325 2.5325 2.9981 2.9981 6.7305 6.7305 6.8302 6.8302 7.7678 7.7678 8.1212 8.1212 8.6948 8.6948 8.8594 8.8594 12.0579 12.0579 12.4652 12.4652 14.5462 14.5462 14.6115 14.6115 15.0898 15.0898 k =-0.0757 0.1804 1.2104 ( 3124 PWs) bands (ev): -31.0987 -31.0987 -31.0975 -31.0975 -12.1972 -12.1972 -12.1921 -12.1921 -10.8257 -10.8257 -10.8175 -10.8175 -10.7462 -10.7462 -10.7327 -10.7327 0.2846 0.2846 0.6333 0.6333 2.4966 2.4966 3.0808 3.0808 6.7172 6.7172 6.8304 6.8304 7.7357 7.7357 8.1704 8.1704 8.7064 8.7064 8.9034 8.9034 12.0045 12.0045 12.5116 12.5116 14.4677 14.4677 14.5629 14.5629 15.0745 15.0746 k =-0.0820 0.1955 1.1940 ( 3122 PWs) bands (ev): -31.0990 -31.0990 -31.0975 -31.0975 -12.1970 -12.1970 -12.1912 -12.1912 -10.8251 -10.8251 -10.8162 -10.8162 -10.7472 -10.7472 -10.7311 -10.7311 0.2380 0.2380 0.6507 0.6507 2.4622 2.4622 3.1659 3.1659 6.7047 6.7047 6.8255 6.8255 7.7094 7.7094 8.2219 8.2219 8.7214 8.7214 8.9468 8.9468 11.9543 11.9543 12.5590 12.5590 14.3863 14.3863 14.5125 14.5125 15.0489 15.0489 k =-0.0884 0.2106 1.1776 ( 3128 PWs) bands (ev): -31.0992 -31.0992 -31.0975 -31.0975 -12.1968 -12.1968 -12.1903 -12.1903 -10.8246 -10.8246 -10.8147 -10.8147 -10.7482 -10.7482 -10.7294 -10.7294 0.1919 0.1919 0.6664 0.6664 2.4292 2.4292 3.2532 3.2532 6.6932 6.6932 6.8151 6.8151 7.6894 7.6894 8.2758 8.2758 8.7396 8.7396 8.9889 8.9889 11.9080 11.9080 12.6073 12.6073 14.3035 14.3035 14.4592 14.4592 15.0113 15.0113 k =-0.0947 0.2256 1.1613 ( 3128 PWs) bands (ev): -31.0995 -31.0995 -31.0976 -31.0976 -12.1965 -12.1965 -12.1893 -12.1893 -10.8240 -10.8240 -10.8133 -10.8133 -10.7490 -10.7490 -10.7277 -10.7277 0.1465 0.1465 0.6806 0.6806 2.3975 2.3975 3.3425 3.3425 6.6829 6.6829 6.7994 6.7994 7.6761 7.6761 8.3319 8.3319 8.7611 8.7611 9.0291 9.0291 11.8664 11.8664 12.6561 12.6561 14.2198 14.2198 14.4008 14.4008 14.9623 14.9623 k =-0.1010 0.2407 1.1449 ( 3124 PWs) bands (ev): -31.0998 -31.0998 -31.0976 -31.0976 -12.1962 -12.1962 -12.1883 -12.1883 -10.8234 -10.8234 -10.8119 -10.8119 -10.7497 -10.7497 -10.7259 -10.7259 0.1018 0.1018 0.6932 0.6932 2.3671 2.3671 3.4336 3.4336 6.6740 6.6740 6.7786 6.7786 7.6691 7.6691 8.3905 8.3905 8.7857 8.7857 9.0667 9.0667 11.8304 11.8304 12.7053 12.7053 14.1360 14.1360 14.3347 14.3347 14.9053 14.9053 k =-0.1074 0.2558 1.1285 ( 3120 PWs) bands (ev): -31.1001 -31.1001 -31.0977 -31.0977 -12.1958 -12.1958 -12.1873 -12.1873 -10.8228 -10.8228 -10.8104 -10.8104 -10.7503 -10.7503 -10.7241 -10.7241 0.0581 0.0581 0.7044 0.7044 2.3379 2.3379 3.5264 3.5264 6.6663 6.6663 6.7532 6.7532 7.6682 7.6682 8.4513 8.4513 8.8132 8.8132 9.1011 9.1011 11.8006 11.8006 12.7543 12.7543 14.0525 14.0525 14.2581 14.2581 14.8449 14.8449 k =-0.1137 0.2709 1.1122 ( 3128 PWs) bands (ev): -31.1004 -31.1004 -31.0977 -31.0977 -12.1954 -12.1954 -12.1863 -12.1863 -10.8222 -10.8222 -10.8091 -10.8091 -10.7507 -10.7507 -10.7221 -10.7221 0.0153 0.0153 0.7142 0.7142 2.3099 2.3099 3.6204 3.6204 6.6600 6.6600 6.7242 6.7242 7.6728 7.6728 8.5145 8.5145 8.8436 8.8436 9.1318 9.1318 11.7778 11.7778 12.8025 12.8025 13.9699 13.9699 14.1686 14.1686 14.7853 14.7853 k =-0.1200 0.2860 1.0958 ( 3126 PWs) bands (ev): -31.1007 -31.1007 -31.0978 -31.0978 -12.1949 -12.1949 -12.1853 -12.1853 -10.8216 -10.8216 -10.8078 -10.8078 -10.7509 -10.7509 -10.7202 -10.7202 -0.0264 -0.0264 0.7228 0.7228 2.2830 2.2830 3.7155 3.7155 6.6537 6.6537 6.6938 6.6938 7.6821 7.6821 8.5799 8.5799 8.8767 8.8767 9.1584 9.1584 11.7626 11.7626 12.8491 12.8491 13.8886 13.8886 14.0648 14.0648 14.7289 14.7289 k =-0.1264 0.3011 1.0794 ( 3126 PWs) bands (ev): -31.1010 -31.1010 -31.0979 -31.0979 -12.1945 -12.1945 -12.1843 -12.1843 -10.8210 -10.8210 -10.8066 -10.8066 -10.7509 -10.7509 -10.7181 -10.7181 -0.0670 -0.0670 0.7301 0.7301 2.2571 2.2571 3.8113 3.8113 6.6401 6.6401 6.6703 6.6703 7.6955 7.6955 8.6475 8.6475 8.9125 8.9125 9.1803 9.1803 11.7553 11.7553 12.8930 12.8930 13.8094 13.8094 13.9470 13.9470 14.6764 14.6764 k =-0.1327 0.3162 1.0631 ( 3122 PWs) bands (ev): -31.1013 -31.1013 -31.0980 -31.0980 -12.1940 -12.1940 -12.1833 -12.1833 -10.8205 -10.8205 -10.8056 -10.8056 -10.7507 -10.7507 -10.7160 -10.7160 -0.1062 -0.1062 0.7362 0.7362 2.2323 2.2323 3.9073 3.9073 6.6098 6.6098 6.6641 6.6641 7.7122 7.7122 8.7173 8.7173 8.9507 8.9507 9.1974 9.1974 11.7564 11.7564 12.9328 12.9328 13.7329 13.7329 13.8167 13.8167 14.6269 14.6269 k =-0.1390 0.3313 1.0467 ( 3116 PWs) bands (ev): -31.1016 -31.1016 -31.0981 -31.0981 -12.1935 -12.1935 -12.1823 -12.1823 -10.8201 -10.8201 -10.8047 -10.8047 -10.7502 -10.7502 -10.7138 -10.7138 -0.1442 -0.1442 0.7414 0.7414 2.2085 2.2085 4.0032 4.0032 6.5729 6.5729 6.6658 6.6658 7.7316 7.7316 8.7891 8.7891 8.9913 8.9913 9.2095 9.2095 11.7659 11.7659 12.9666 12.9666 13.6568 13.6568 13.6794 13.6794 14.5788 14.5788 k =-0.1453 0.3464 1.0303 ( 3112 PWs) bands (ev): -31.1018 -31.1018 -31.0982 -31.0982 -12.1929 -12.1929 -12.1813 -12.1813 -10.8197 -10.8197 -10.8040 -10.8040 -10.7495 -10.7495 -10.7116 -10.7116 -0.1808 -0.1808 0.7456 0.7456 2.1858 2.1858 4.0986 4.0986 6.5345 6.5345 6.6716 6.6716 7.7530 7.7530 8.8628 8.8628 9.0342 9.0342 9.2168 9.2168 11.7837 11.7837 12.9917 12.9917 13.5221 13.5221 13.5985 13.5985 14.5302 14.5302 k =-0.1517 0.3615 1.0140 ( 3115 PWs) bands (ev): -31.1022 -31.1022 -31.0983 -31.0983 -12.1924 -12.1924 -12.1803 -12.1803 -10.8193 -10.8193 -10.8035 -10.8035 -10.7486 -10.7486 -10.7093 -10.7093 -0.2159 -0.2159 0.7489 0.7489 2.1640 2.1640 4.1929 4.1929 6.4956 6.4956 6.6807 6.6807 7.7760 7.7760 8.9383 8.9383 9.0791 9.0791 9.2194 9.2194 11.8095 11.8095 13.0049 13.0049 13.3658 13.3658 13.5418 13.5418 14.4795 14.4795 k =-0.1580 0.3766 0.9976 ( 3114 PWs) bands (ev): -31.1024 -31.1024 -31.0984 -31.0984 -12.1919 -12.1919 -12.1794 -12.1794 -10.8190 -10.8190 -10.8032 -10.8032 -10.7474 -10.7474 -10.7070 -10.7070 -0.2496 -0.2496 0.7515 0.7515 2.1433 2.1433 4.2856 4.2856 6.4569 6.4569 6.6934 6.6934 7.8001 7.8001 9.0153 9.0153 9.1259 9.1259 9.2178 9.2178 11.8426 11.8426 13.0024 13.0024 13.2049 13.2049 13.4977 13.4977 14.4254 14.4254 k =-0.1643 0.3917 0.9812 ( 3119 PWs) bands (ev): -31.1027 -31.1027 -31.0986 -31.0986 -12.1913 -12.1913 -12.1785 -12.1785 -10.8188 -10.8188 -10.8029 -10.8029 -10.7461 -10.7461 -10.7047 -10.7047 -0.2816 -0.2816 0.7534 0.7534 2.1235 2.1235 4.3761 4.3761 6.4189 6.4189 6.7097 6.7097 7.8248 7.8248 9.0933 9.0933 9.1743 9.1743 9.2129 9.2129 11.8820 11.8820 12.9786 12.9786 13.0453 13.0453 13.4677 13.4677 14.3674 14.3674 k =-0.1707 0.4067 0.9649 ( 3115 PWs) bands (ev): -31.1030 -31.1030 -31.0987 -31.0987 -12.1908 -12.1908 -12.1776 -12.1776 -10.8187 -10.8187 -10.8029 -10.8029 -10.7446 -10.7446 -10.7024 -10.7024 -0.3121 -0.3121 0.7547 0.7547 2.1047 2.1047 4.4639 4.4639 6.3819 6.3819 6.7298 6.7298 7.8499 7.8499 9.1684 9.1684 9.2074 9.2074 9.2257 9.2257 11.9260 11.9260 12.8690 12.8690 12.9547 12.9547 13.4510 13.4510 14.3050 14.3050 k =-0.1770 0.4218 0.9485 ( 3121 PWs) bands (ev): -31.1033 -31.1033 -31.0988 -31.0988 -12.1903 -12.1903 -12.1768 -12.1768 -10.8186 -10.8186 -10.8029 -10.8029 -10.7430 -10.7430 -10.7001 -10.7001 -0.3409 -0.3409 0.7554 0.7554 2.0870 2.0870 4.5484 4.5484 6.3462 6.3462 6.7540 6.7540 7.8750 7.8750 9.1855 9.1855 9.2591 9.2591 9.2772 9.2772 11.9718 11.9718 12.7111 12.7111 12.9026 12.9026 13.4445 13.4445 14.2387 14.2387 k =-0.1833 0.4369 0.9321 ( 3129 PWs) bands (ev): -31.1036 -31.1036 -31.0990 -31.0990 -12.1898 -12.1898 -12.1760 -12.1760 -10.8185 -10.8185 -10.8031 -10.8031 -10.7413 -10.7413 -10.6978 -10.6978 -0.3680 -0.3680 0.7557 0.7557 2.0702 2.0702 4.6290 4.6290 6.3120 6.3120 6.7822 6.7822 7.8998 7.8998 9.1727 9.1727 9.3265 9.3265 9.3425 9.3425 12.0125 12.0125 12.5616 12.5616 12.8433 12.8433 13.4444 13.4444 14.1692 14.1692 k =-0.1897 0.4520 0.9158 ( 3129 PWs) bands (ev): -31.1038 -31.1038 -31.0991 -31.0991 -12.1893 -12.1893 -12.1752 -12.1752 -10.8185 -10.8185 -10.8033 -10.8033 -10.7395 -10.7395 -10.6956 -10.6956 -0.3934 -0.3934 0.7557 0.7557 2.0545 2.0545 4.7050 4.7050 6.2795 6.2795 6.8145 6.8145 7.9240 7.9240 9.1567 9.1567 9.3803 9.3803 9.4240 9.4240 12.0315 12.0315 12.4395 12.4395 12.7787 12.7787 13.4476 13.4476 14.0973 14.0973 k =-0.1960 0.4671 0.8994 ( 3129 PWs) bands (ev): -31.1040 -31.1040 -31.0992 -31.0992 -12.1889 -12.1889 -12.1745 -12.1745 -10.8185 -10.8185 -10.8036 -10.8036 -10.7377 -10.7377 -10.6935 -10.6935 -0.4170 -0.4170 0.7553 0.7553 2.0399 2.0399 4.7761 4.7761 6.2489 6.2489 6.8507 6.8507 7.9474 7.9474 9.1392 9.1392 9.4336 9.4336 9.5070 9.5070 11.9951 11.9951 12.3788 12.3788 12.7114 12.7114 13.4524 13.4524 14.0245 14.0245 k =-0.2023 0.4822 0.8830 ( 3123 PWs) bands (ev): -31.1042 -31.1042 -31.0993 -31.0993 -12.1884 -12.1884 -12.1739 -12.1739 -10.8186 -10.8186 -10.8039 -10.8039 -10.7359 -10.7359 -10.6915 -10.6915 -0.4388 -0.4388 0.7547 0.7547 2.0263 2.0263 4.8418 4.8418 6.2203 6.2203 6.8906 6.8906 7.9697 7.9697 9.1207 9.1207 9.4866 9.4866 9.5904 9.5904 11.8938 11.8938 12.3886 12.3886 12.6435 12.6435 13.4576 13.4576 13.9522 13.9522 k =-0.2087 0.4973 0.8667 ( 3117 PWs) bands (ev): -31.1044 -31.1044 -31.0994 -31.0994 -12.1880 -12.1880 -12.1733 -12.1733 -10.8187 -10.8187 -10.8042 -10.8042 -10.7342 -10.7342 -10.6896 -10.6896 -0.4588 -0.4588 0.7539 0.7539 2.0139 2.0139 4.9018 4.9018 6.1939 6.1939 6.9335 6.9335 7.9908 7.9908 9.1019 9.1019 9.5388 9.5388 9.6738 9.6738 11.7605 11.7605 12.4352 12.4352 12.5776 12.5776 13.4629 13.4629 13.8820 13.8820 k =-0.2150 0.5124 0.8503 ( 3132 PWs) bands (ev): -31.1047 -31.1047 -31.0995 -31.0995 -12.1876 -12.1876 -12.1727 -12.1727 -10.8189 -10.8189 -10.8045 -10.8045 -10.7326 -10.7326 -10.6878 -10.6878 -0.4770 -0.4770 0.7531 0.7531 2.0025 2.0025 4.9558 4.9558 6.1697 6.1697 6.9787 6.9787 8.0105 8.0105 9.0831 9.0831 9.5896 9.5896 9.7570 9.7570 11.6179 11.6179 12.4793 12.4793 12.5308 12.5308 13.4679 13.4679 13.8157 13.8157 k =-0.2213 0.5275 0.8339 ( 3135 PWs) bands (ev): -31.1048 -31.1048 -31.0996 -31.0996 -12.1873 -12.1873 -12.1722 -12.1722 -10.8190 -10.8190 -10.8049 -10.8049 -10.7310 -10.7310 -10.6861 -10.6861 -0.4933 -0.4933 0.7521 0.7521 1.9923 1.9923 5.0037 5.0037 6.1479 6.1479 7.0253 7.0253 8.0285 8.0285 9.0649 9.0649 9.6384 9.6384 9.8397 9.8397 11.4748 11.4748 12.4379 12.4379 12.5778 12.5778 13.4728 13.4728 13.7555 13.7555 k =-0.2277 0.5426 0.8176 ( 3135 PWs) bands (ev): -31.1050 -31.1050 -31.0997 -31.0997 -12.1870 -12.1870 -12.1718 -12.1718 -10.8192 -10.8192 -10.8052 -10.8052 -10.7296 -10.7296 -10.6846 -10.6846 -0.5077 -0.5077 0.7512 0.7512 1.9832 1.9832 5.0456 5.0456 6.1284 6.1284 7.0720 7.0720 8.0448 8.0448 9.0475 9.0475 9.6844 9.6844 9.9217 9.9217 11.3353 11.3353 12.3806 12.3806 12.6451 12.6451 13.4775 13.4775 13.7035 13.7035 k =-0.2340 0.5577 0.8012 ( 3136 PWs) bands (ev): -31.1051 -31.1051 -31.0998 -31.0998 -12.1867 -12.1867 -12.1714 -12.1714 -10.8193 -10.8193 -10.8054 -10.8054 -10.7283 -10.7283 -10.6833 -10.6833 -0.5203 -0.5203 0.7503 0.7503 1.9753 1.9753 5.0814 5.0814 6.1115 6.1115 7.1174 7.1174 8.0592 8.0592 9.0313 9.0313 9.7269 9.7269 10.0030 10.0030 11.2015 11.2015 12.3268 12.3268 12.7108 12.7108 13.4820 13.4820 13.6622 13.6622 k =-0.2403 0.5728 0.7848 ( 3134 PWs) bands (ev): -31.1052 -31.1052 -31.0998 -31.0998 -12.1865 -12.1865 -12.1711 -12.1711 -10.8194 -10.8194 -10.8057 -10.8057 -10.7272 -10.7272 -10.6821 -10.6821 -0.5309 -0.5309 0.7495 0.7495 1.9686 1.9686 5.1112 5.1112 6.0970 6.0970 7.1599 7.1599 8.0716 8.0716 9.0167 9.0167 9.7650 9.7650 10.0836 10.0836 11.0745 11.0745 12.2786 12.2786 12.7706 12.7706 13.4862 13.4862 13.6341 13.6341 k =-0.2467 0.5879 0.7685 ( 3134 PWs) bands (ev): -31.1053 -31.1053 -31.0999 -31.0999 -12.1863 -12.1863 -12.1708 -12.1708 -10.8196 -10.8196 -10.8059 -10.8059 -10.7263 -10.7263 -10.6812 -10.6812 -0.5396 -0.5396 0.7488 0.7488 1.9631 1.9631 5.1354 5.1354 6.0852 6.0852 7.1977 7.1977 8.0819 8.0819 9.0041 9.0041 9.7977 9.7977 10.1634 10.1634 10.9553 10.9553 12.2373 12.2373 12.8212 12.8212 13.4900 13.4900 13.6210 13.6210 k =-0.2530 0.6029 0.7521 ( 3134 PWs) bands (ev): -31.1054 -31.1054 -31.0999 -31.0999 -12.1862 -12.1862 -12.1706 -12.1706 -10.8197 -10.8197 -10.8060 -10.8060 -10.7256 -10.7256 -10.6804 -10.6804 -0.5464 -0.5464 0.7482 0.7482 1.9588 1.9588 5.1539 5.1539 6.0759 6.0759 7.2293 7.2293 8.0899 8.0899 8.9938 8.9938 9.8242 9.8242 10.2422 10.2422 10.8451 10.8451 12.2039 12.2039 12.8603 12.8603 13.4933 13.4933 13.6228 13.6228 k =-0.2593 0.6180 0.7357 ( 3134 PWs) bands (ev): -31.1054 -31.1054 -31.1000 -31.1000 -12.1861 -12.1861 -12.1705 -12.1705 -10.8197 -10.8197 -10.8061 -10.8061 -10.7250 -10.7250 -10.6799 -10.6799 -0.5513 -0.5513 0.7477 0.7477 1.9557 1.9557 5.1671 5.1671 6.0692 6.0692 7.2531 7.2531 8.0957 8.0957 8.9862 8.9862 9.8438 9.8438 10.3187 10.3187 10.7457 10.7457 12.1794 12.1794 12.8874 12.8874 13.4958 13.4958 13.6360 13.6360 k =-0.2657 0.6331 0.7194 ( 3134 PWs) bands (ev): -31.1055 -31.1055 -31.1000 -31.1000 -12.1860 -12.1860 -12.1704 -12.1704 -10.8198 -10.8198 -10.8062 -10.8062 -10.7247 -10.7247 -10.6795 -10.6795 -0.5542 -0.5542 0.7475 0.7475 1.9538 1.9538 5.1749 5.1749 6.0652 6.0652 7.2679 7.2679 8.0993 8.0993 8.9815 8.9815 9.8559 9.8559 10.3867 10.3867 10.6637 10.6637 12.1644 12.1644 12.9028 12.9028 13.4974 13.4974 13.6522 13.6522 k =-0.2720 0.6482 0.7030 ( 3136 PWs) bands (ev): -31.1055 -31.1055 -31.1000 -31.1000 -12.1860 -12.1860 -12.1704 -12.1704 -10.8198 -10.8198 -10.8062 -10.8062 -10.7246 -10.7246 -10.6794 -10.6794 -0.5551 -0.5551 0.7474 0.7474 1.9532 1.9532 5.1775 5.1775 6.0639 6.0639 7.2729 7.2729 8.1004 8.1004 8.9799 8.9799 9.8599 9.8599 10.4202 10.4202 10.6255 10.6255 12.1593 12.1593 12.9077 12.9077 13.4980 13.4980 13.6598 13.6598 k =-0.2720 0.6482 0.7030 ( 3136 PWs) bands (ev): -31.1055 -31.1055 -31.1000 -31.1000 -12.1860 -12.1860 -12.1704 -12.1704 -10.8198 -10.8198 -10.8062 -10.8062 -10.7246 -10.7246 -10.6794 -10.6794 -0.5551 -0.5551 0.7474 0.7474 1.9532 1.9532 5.1775 5.1775 6.0639 6.0639 7.2729 7.2729 8.1004 8.1004 8.9799 8.9799 9.8599 9.8599 10.4202 10.4202 10.6255 10.6255 12.1593 12.1593 12.9077 12.9077 13.4980 13.4980 13.6598 13.6598 k =-0.2657 0.6332 0.6866 ( 3132 PWs) bands (ev): -31.1056 -31.1056 -31.0998 -31.0998 -12.1868 -12.1868 -12.1701 -12.1701 -10.8203 -10.8203 -10.8074 -10.8074 -10.7251 -10.7251 -10.6785 -10.6785 -0.5598 -0.5598 0.8378 0.8378 1.8592 1.8592 5.1434 5.1434 6.0796 6.0796 7.2704 7.2704 8.1310 8.1310 9.0016 9.0016 9.8092 9.8092 10.5124 10.5124 10.6279 10.6279 12.0680 12.0680 12.8495 12.8495 13.4359 13.4359 13.5821 13.5821 k =-0.2594 0.6181 0.6703 ( 3136 PWs) bands (ev): -31.1057 -31.1057 -31.0996 -31.0996 -12.1876 -12.1876 -12.1698 -12.1698 -10.8207 -10.8207 -10.8082 -10.8082 -10.7255 -10.7255 -10.6775 -10.6775 -0.5676 -0.5676 0.9294 0.9294 1.7692 1.7692 5.1075 5.1075 6.0987 6.0987 7.2688 7.2688 8.1642 8.1642 9.0300 9.0300 9.7605 9.7605 10.6064 10.6064 10.6287 10.6287 11.9786 11.9786 12.7898 12.7898 13.3757 13.3757 13.5074 13.5074 k =-0.2530 0.6030 0.6539 ( 3132 PWs) bands (ev): -31.1058 -31.1058 -31.0995 -31.0995 -12.1883 -12.1883 -12.1693 -12.1693 -10.8210 -10.8210 -10.8086 -10.8086 -10.7260 -10.7260 -10.6767 -10.6767 -0.5787 -0.5787 1.0220 1.0220 1.6833 1.6833 5.0701 5.0701 6.1212 6.1212 7.2683 7.2683 8.1997 8.1997 9.0648 9.0648 9.7138 9.7138 10.6265 10.6265 10.7031 10.7031 11.8913 11.8913 12.7305 12.7305 13.3177 13.3177 13.4360 13.4360 k =-0.2467 0.5879 0.6376 ( 3136 PWs) bands (ev): -31.1059 -31.1059 -31.0993 -31.0993 -12.1890 -12.1890 -12.1687 -12.1687 -10.8213 -10.8213 -10.8086 -10.8086 -10.7266 -10.7266 -10.6758 -10.6758 -0.5931 -0.5931 1.1152 1.1152 1.6015 1.6015 5.0320 5.0320 6.1473 6.1473 7.2688 7.2688 8.2374 8.2374 9.1058 9.1058 9.6690 9.6690 10.6224 10.6224 10.8012 10.8012 11.8064 11.8064 12.6728 12.6728 13.2621 13.2621 13.3680 13.3680 k =-0.2404 0.5729 0.6212 ( 3138 PWs) bands (ev): -31.1061 -31.1061 -31.0992 -31.0992 -12.1895 -12.1895 -12.1679 -12.1679 -10.8216 -10.8216 -10.8082 -10.8082 -10.7271 -10.7271 -10.6750 -10.6750 -0.6108 -0.6108 1.2088 1.2088 1.5240 1.5240 4.9936 4.9936 6.1769 6.1769 7.2703 7.2703 8.2769 8.2769 9.1525 9.1525 9.6260 9.6260 10.6155 10.6155 10.9009 10.9009 11.7242 11.7242 12.6180 12.6180 13.2093 13.2093 13.3036 13.3036 k =-0.2341 0.5578 0.6049 ( 3140 PWs) bands (ev): -31.1063 -31.1063 -31.0991 -31.0991 -12.1900 -12.1900 -12.1670 -12.1670 -10.8218 -10.8218 -10.8073 -10.8073 -10.7276 -10.7276 -10.6742 -10.6742 -0.6320 -0.6320 1.3026 1.3026 1.4509 1.4509 4.9558 4.9558 6.2103 6.2103 7.2728 7.2728 8.3182 8.3182 9.2047 9.2047 9.5848 9.5848 10.6055 10.6055 11.0020 11.0020 11.6449 11.6449 12.5672 12.5672 13.1594 13.1594 13.2431 13.2431 k =-0.2277 0.5427 0.5885 ( 3138 PWs) bands (ev): -31.1064 -31.1064 -31.0991 -31.0991 -12.1904 -12.1904 -12.1660 -12.1660 -10.8220 -10.8220 -10.8060 -10.8060 -10.7281 -10.7281 -10.6735 -10.6735 -0.6564 -0.6564 1.3811 1.3811 1.3969 1.3969 4.9190 4.9190 6.2473 6.2473 7.2763 7.2763 8.3607 8.3607 9.2619 9.2619 9.5452 9.5452 10.5923 10.5923 11.1042 11.1042 11.5691 11.5691 12.5213 12.5213 13.1128 13.1128 13.1868 13.1868 k =-0.2214 0.5276 0.5722 ( 3130 PWs) bands (ev): -31.1066 -31.1066 -31.0990 -31.0990 -12.1908 -12.1908 -12.1648 -12.1648 -10.8222 -10.8222 -10.8043 -10.8043 -10.7286 -10.7286 -10.6728 -10.6728 -0.6842 -0.6842 1.3171 1.3171 1.4892 1.4892 4.8842 4.8842 6.2881 6.2881 7.2807 7.2807 8.4044 8.4044 9.3237 9.3237 9.5072 9.5072 10.5755 10.5755 11.2066 11.2066 11.4974 11.4974 12.4811 12.4811 13.0696 13.0696 13.1348 13.1348 k =-0.2151 0.5126 0.5558 ( 3130 PWs) bands (ev): -31.1068 -31.1068 -31.0989 -31.0989 -12.1910 -12.1910 -12.1635 -12.1635 -10.8223 -10.8223 -10.8023 -10.8023 -10.7290 -10.7290 -10.6721 -10.6721 -0.7150 -0.7150 1.2567 1.2567 1.5809 1.5809 4.8520 4.8520 6.3326 6.3326 7.2860 7.2860 8.4489 8.4489 9.3896 9.3896 9.4708 9.4708 10.5550 10.5550 11.3052 11.3052 11.4337 11.4337 12.4471 12.4471 13.0300 13.0300 13.0876 13.0876 k =-0.2088 0.4975 0.5395 ( 3132 PWs) bands (ev): -31.1071 -31.1071 -31.0989 -31.0989 -12.1912 -12.1912 -12.1621 -12.1621 -10.8223 -10.8223 -10.8000 -10.8000 -10.7295 -10.7295 -10.6715 -10.6715 -0.7487 -0.7487 1.2002 1.2002 1.6711 1.6711 4.8232 4.8232 6.3809 6.3809 7.2921 7.2921 8.4939 8.4939 9.4352 9.4352 9.4599 9.4599 10.5306 10.5306 11.3411 11.3411 11.4367 11.4367 12.4200 12.4200 12.9942 12.9942 13.0455 13.0455 k =-0.2024 0.4824 0.5232 ( 3128 PWs) bands (ev): -31.1073 -31.1073 -31.0989 -31.0989 -12.1913 -12.1913 -12.1606 -12.1606 -10.8223 -10.8223 -10.7974 -10.7974 -10.7298 -10.7298 -10.6710 -10.6710 -0.7851 -0.7851 1.1477 1.1477 1.7591 1.7591 4.7988 4.7988 6.4329 6.4329 7.2990 7.2990 8.5390 8.5390 9.4018 9.4018 9.5326 9.5326 10.5025 10.5025 11.2891 11.2891 11.5315 11.5315 12.4001 12.4001 12.9623 12.9623 13.0089 13.0089 k =-0.1961 0.4673 0.5068 ( 3118 PWs) bands (ev): -31.1075 -31.1075 -31.0988 -31.0988 -12.1914 -12.1914 -12.1590 -12.1590 -10.8221 -10.8221 -10.7945 -10.7945 -10.7301 -10.7301 -10.6704 -10.6704 -0.8240 -0.8240 1.0988 1.0988 1.8442 1.8442 4.7796 4.7796 6.4885 6.4885 7.3066 7.3066 8.5839 8.5839 9.3694 9.3694 9.6082 9.6082 10.4708 10.4708 11.2328 11.2328 11.6339 11.6339 12.3876 12.3876 12.9345 12.9345 12.9786 12.9786 k =-0.1898 0.4523 0.4905 ( 3126 PWs) bands (ev): -31.1078 -31.1078 -31.0988 -31.0988 -12.1914 -12.1914 -12.1573 -12.1573 -10.8219 -10.8219 -10.7914 -10.7914 -10.7304 -10.7304 -10.6700 -10.6700 -0.8649 -0.8649 1.0534 1.0534 1.9257 1.9257 4.7665 4.7665 6.5478 6.5478 7.3148 7.3148 8.6282 8.6282 9.3381 9.3381 9.6860 9.6860 10.4360 10.4360 11.1794 11.1794 11.7360 11.7360 12.3826 12.3826 12.9109 12.9109 12.9553 12.9553 k =-0.1834 0.4372 0.4741 ( 3113 PWs) bands (ev): -31.1080 -31.1080 -31.0988 -31.0988 -12.1913 -12.1913 -12.1555 -12.1555 -10.8217 -10.8217 -10.7880 -10.7880 -10.7305 -10.7305 -10.6695 -10.6695 -0.9077 -0.9077 1.0113 1.0113 2.0030 2.0030 4.7605 4.7605 6.6106 6.6106 7.3237 7.3237 8.6715 8.6715 9.3081 9.3081 9.7650 9.7650 10.3986 10.3986 11.1300 11.1300 11.8360 11.8360 12.3851 12.3851 12.8916 12.8916 12.9399 12.9399 k =-0.1771 0.4221 0.4578 ( 3121 PWs) bands (ev): -31.1083 -31.1083 -31.0989 -31.0989 -12.1912 -12.1912 -12.1537 -12.1537 -10.8214 -10.8214 -10.7844 -10.7844 -10.7305 -10.7305 -10.6692 -10.6692 -0.9520 -0.9520 0.9723 0.9723 2.0753 2.0753 4.7625 4.7625 6.6768 6.6768 7.3331 7.3331 8.7135 8.7135 9.2791 9.2791 9.8437 9.8437 10.3601 10.3601 11.0849 11.0849 11.9323 11.9323 12.3947 12.3947 12.8768 12.8768 12.9336 12.9336 k =-0.1708 0.4070 0.4414 ( 3129 PWs) bands (ev): -31.1087 -31.1087 -31.0990 -31.0990 -12.1910 -12.1910 -12.1518 -12.1518 -10.8211 -10.8211 -10.7807 -10.7807 -10.7304 -10.7304 -10.6688 -10.6688 -0.9974 -0.9974 0.9360 0.9360 2.1419 2.1419 4.7734 4.7734 6.7464 6.7464 7.3430 7.3430 8.7536 8.7536 9.2511 9.2511 9.9198 9.9198 10.3229 10.3229 11.0444 11.0444 12.0234 12.0234 12.4111 12.4111 12.8665 12.8665 12.9381 12.9381 k =-0.1645 0.3920 0.4251 ( 3127 PWs) bands (ev): -31.1090 -31.1090 -31.0990 -31.0990 -12.1908 -12.1908 -12.1498 -12.1498 -10.8207 -10.8207 -10.7767 -10.7767 -10.7302 -10.7302 -10.6685 -10.6685 -1.0437 -1.0437 0.9023 0.9023 2.2022 2.2022 4.7939 4.7939 6.8192 6.8192 7.3532 7.3532 8.7915 8.7915 9.2242 9.2242 9.9875 9.9875 10.2926 10.2926 11.0084 11.0084 12.1075 12.1075 12.4338 12.4338 12.8607 12.8607 12.9549 12.9549 k =-0.1581 0.3769 0.4087 ( 3123 PWs) bands (ev): -31.1093 -31.1093 -31.0991 -31.0991 -12.1905 -12.1905 -12.1478 -12.1478 -10.8204 -10.8204 -10.7727 -10.7727 -10.7298 -10.7298 -10.6683 -10.6683 -1.0905 -1.0905 0.8710 0.8710 2.2556 2.2556 4.8247 4.8247 6.8951 6.8951 7.3638 7.3638 8.8269 8.8269 9.1982 9.1982 10.0338 10.0338 10.2823 10.2823 10.9771 10.9771 12.1831 12.1831 12.4622 12.4622 12.8595 12.8595 12.9855 12.9855 k =-0.1518 0.3618 0.3924 ( 3119 PWs) bands (ev): -31.1096 -31.1096 -31.0991 -31.0991 -12.1902 -12.1902 -12.1458 -12.1458 -10.8201 -10.8201 -10.7685 -10.7685 -10.7293 -10.7293 -10.6680 -10.6680 -1.1374 -1.1374 0.8419 0.8419 2.3018 2.3018 4.8662 4.8662 6.9739 6.9739 7.3745 7.3745 8.8594 8.8594 9.1731 9.1731 10.0424 10.0424 10.3083 10.3083 10.9503 10.9503 12.2492 12.2492 12.4954 12.4954 12.8629 12.8629 13.0309 13.0309 k =-0.1455 0.3467 0.3760 ( 3111 PWs) bands (ev): -31.1099 -31.1099 -31.0992 -31.0992 -12.1898 -12.1898 -12.1437 -12.1437 -10.8198 -10.8198 -10.7642 -10.7642 -10.7286 -10.7286 -10.6678 -10.6678 -1.1844 -1.1844 0.8148 0.8148 2.3407 2.3407 4.9187 4.9187 7.0556 7.0556 7.3854 7.3854 8.8887 8.8887 9.1490 9.1490 10.0175 10.0175 10.3661 10.3661 10.9279 10.9279 12.3061 12.3061 12.5324 12.5324 12.8710 12.8710 13.0906 13.0906 k =-0.1392 0.3317 0.3597 ( 3115 PWs) bands (ev): -31.1103 -31.1103 -31.0993 -31.0993 -12.1895 -12.1895 -12.1417 -12.1417 -10.8196 -10.8196 -10.7598 -10.7598 -10.7278 -10.7278 -10.6677 -10.6677 -1.2309 -1.2309 0.7894 0.7894 2.3725 2.3725 4.9821 4.9821 7.1398 7.1398 7.3964 7.3964 8.9146 8.9146 9.1258 9.1258 9.9759 9.9759 10.4389 10.4389 10.9096 10.9096 12.3547 12.3547 12.5723 12.5723 12.8836 12.8836 13.1629 13.1629 k =-0.1328 0.3166 0.3433 ( 3111 PWs) bands (ev): -31.1106 -31.1106 -31.0994 -31.0994 -12.1891 -12.1891 -12.1396 -12.1396 -10.8194 -10.8194 -10.7554 -10.7554 -10.7268 -10.7268 -10.6675 -10.6675 -1.2769 -1.2769 0.7658 0.7658 2.3972 2.3972 5.0561 5.0561 7.2264 7.2264 7.4074 7.4074 8.9371 8.9371 9.1035 9.1035 9.9268 9.9268 10.5173 10.5173 10.8948 10.8948 12.3969 12.3969 12.6132 12.6132 12.9009 12.9009 13.2342 13.2342 k =-0.1265 0.3015 0.3270 ( 3115 PWs) bands (ev): -31.1109 -31.1109 -31.0995 -31.0995 -12.1887 -12.1887 -12.1376 -12.1376 -10.8193 -10.8193 -10.7510 -10.7510 -10.7257 -10.7257 -10.6674 -10.6674 -1.3220 -1.3220 0.7438 0.7438 2.4156 2.4156 5.1405 5.1405 7.3152 7.3152 7.4183 7.4183 8.9559 8.9559 9.0821 9.0821 9.8739 9.8739 10.5971 10.5971 10.8832 10.8832 12.4346 12.4346 12.6514 12.6514 12.9227 12.9227 13.1638 13.1638 k =-0.1202 0.2864 0.3106 ( 3115 PWs) bands (ev): -31.1112 -31.1112 -31.0997 -31.0997 -12.1883 -12.1883 -12.1356 -12.1356 -10.8193 -10.8193 -10.7466 -10.7466 -10.7245 -10.7245 -10.6673 -10.6673 -1.3661 -1.3661 0.7232 0.7232 2.4281 2.4281 5.2345 5.2345 7.4060 7.4060 7.4290 7.4290 8.9711 8.9711 9.0618 9.0618 9.8191 9.8191 10.6764 10.6764 10.8740 10.8740 12.4697 12.4697 12.6777 12.6777 12.9488 12.9488 13.0700 13.0700 k =-0.1139 0.2714 0.2943 ( 3115 PWs) bands (ev): -31.1115 -31.1115 -31.0998 -31.0998 -12.1879 -12.1879 -12.1336 -12.1336 -10.8193 -10.8193 -10.7422 -10.7422 -10.7230 -10.7230 -10.6672 -10.6672 -1.4090 -1.4090 0.7039 0.7039 2.4354 2.4354 5.3375 5.3375 7.4395 7.4395 7.4984 7.4984 8.9826 8.9826 9.0427 9.0427 9.7630 9.7630 10.7538 10.7538 10.8665 10.8665 12.5035 12.5035 12.6691 12.6691 12.9770 12.9770 13.0023 13.0023 k =-0.1075 0.2563 0.2779 ( 3111 PWs) bands (ev): -31.1118 -31.1118 -31.0999 -31.0999 -12.1875 -12.1875 -12.1316 -12.1316 -10.8193 -10.8193 -10.7379 -10.7379 -10.7215 -10.7215 -10.6671 -10.6671 -1.4504 -1.4504 0.6859 0.6859 2.4383 2.4383 5.4487 5.4487 7.4498 7.4498 7.5922 7.5922 8.9902 8.9902 9.0253 9.0253 9.7063 9.7063 10.8279 10.8279 10.8604 10.8604 12.5342 12.5342 12.6010 12.6010 12.9808 12.9808 13.0143 13.0143 k =-0.1012 0.2412 0.2616 ( 3123 PWs) bands (ev): -31.1121 -31.1121 -31.1001 -31.1001 -12.1871 -12.1871 -12.1298 -12.1298 -10.8195 -10.8195 -10.7337 -10.7337 -10.7199 -10.7199 -10.6671 -10.6671 -1.4902 -1.4902 0.6692 0.6692 2.4375 2.4375 5.5673 5.5673 7.4597 7.4597 7.6870 7.6870 8.9912 8.9912 9.0125 9.0125 9.6490 9.6490 10.8523 10.8523 10.9004 10.9004 12.4668 12.4668 12.5806 12.5806 13.0057 13.0057 13.0229 13.0229 k =-0.0949 0.2261 0.2452 ( 3127 PWs) bands (ev): -31.1124 -31.1124 -31.1002 -31.1002 -12.1867 -12.1867 -12.1280 -12.1280 -10.8196 -10.8196 -10.7297 -10.7297 -10.7181 -10.7181 -10.6670 -10.6670 -1.5283 -1.5283 0.6536 0.6536 2.4336 2.4336 5.6925 5.6925 7.4692 7.4692 7.7826 7.7826 8.9818 8.9818 9.0086 9.0086 9.5913 9.5913 10.8454 10.8454 10.9671 10.9671 12.3185 12.3185 12.6168 12.6168 12.9969 12.9969 13.0566 13.0566 k =-0.0886 0.2111 0.2289 ( 3131 PWs) bands (ev): -31.1127 -31.1127 -31.1003 -31.1003 -12.1863 -12.1863 -12.1262 -12.1262 -10.8198 -10.8198 -10.7259 -10.7259 -10.7163 -10.7163 -10.6669 -10.6669 -1.5645 -1.5645 0.6391 0.6391 2.4275 2.4275 5.8235 5.8235 7.4783 7.4783 7.8783 7.8783 8.9677 8.9677 9.0079 9.0079 9.5331 9.5331 10.8368 10.8368 11.0294 11.0294 12.1559 12.1559 12.6572 12.6572 12.9779 12.9779 13.1117 13.1117 k =-0.0822 0.1960 0.2125 ( 3135 PWs) bands (ev): -31.1129 -31.1129 -31.1005 -31.1005 -12.1859 -12.1859 -12.1246 -12.1246 -10.8201 -10.8201 -10.7223 -10.7223 -10.7144 -10.7144 -10.6668 -10.6668 -1.5987 -1.5987 0.6257 0.6257 2.4195 2.4195 5.9595 5.9595 7.4869 7.4869 7.9739 7.9739 8.9534 8.9534 9.0067 9.0067 9.4741 9.4741 10.8264 10.8264 11.0866 11.0866 11.9874 11.9874 12.7007 12.7007 12.9620 12.9620 13.1715 13.1715 k =-0.0759 0.1809 0.1962 ( 3139 PWs) bands (ev): -31.1132 -31.1132 -31.1006 -31.1006 -12.1855 -12.1855 -12.1230 -12.1230 -10.8204 -10.8204 -10.7190 -10.7190 -10.7123 -10.7123 -10.6668 -10.6668 -1.6307 -1.6307 0.6134 0.6134 2.4104 2.4104 6.0998 6.0998 7.4950 7.4950 8.0687 8.0687 8.9396 8.9396 9.0043 9.0043 9.4140 9.4140 10.8138 10.8138 11.1385 11.1385 11.8175 11.8175 12.7471 12.7471 12.9481 12.9481 13.2340 13.2340 k =-0.0696 0.1658 0.1798 ( 3129 PWs) bands (ev): -31.1134 -31.1134 -31.1007 -31.1007 -12.1852 -12.1852 -12.1216 -12.1216 -10.8207 -10.8207 -10.7160 -10.7160 -10.7102 -10.7102 -10.6666 -10.6666 -1.6606 -1.6606 0.6021 0.6021 2.4005 2.4005 6.2434 6.2434 7.5025 7.5025 8.1621 8.1621 8.9268 8.9268 9.0008 9.0008 9.3524 9.3524 10.7988 10.7988 11.1849 11.1849 11.6496 11.6496 12.7962 12.7962 12.9348 12.9348 13.2988 13.2988 k =-0.0633 0.1508 0.1635 ( 3131 PWs) bands (ev): -31.1136 -31.1136 -31.1008 -31.1008 -12.1848 -12.1848 -12.1202 -12.1202 -10.8210 -10.8210 -10.7134 -10.7134 -10.7080 -10.7080 -10.6665 -10.6665 -1.6881 -1.6881 0.5918 0.5918 2.3902 2.3902 6.3894 6.3894 7.5095 7.5095 8.2535 8.2535 8.9149 8.9149 8.9963 8.9963 9.2888 9.2888 10.7816 10.7816 11.2255 11.2255 11.4867 11.4867 12.8466 12.8466 12.9216 12.9216 13.3657 13.3657 k =-0.0569 0.1357 0.1471 ( 3131 PWs) bands (ev): -31.1138 -31.1138 -31.1009 -31.1009 -12.1845 -12.1845 -12.1190 -12.1190 -10.8213 -10.8213 -10.7112 -10.7112 -10.7059 -10.7059 -10.6664 -10.6664 -1.7133 -1.7133 0.5825 0.5825 2.3800 2.3800 6.5370 6.5370 7.5159 7.5159 8.3420 8.3420 8.9040 8.9040 8.9910 8.9910 9.2226 9.2226 10.7623 10.7623 11.2575 11.2575 11.3342 11.3342 12.8822 12.8822 12.9230 12.9230 13.4347 13.4347 k =-0.0506 0.1206 0.1308 ( 3133 PWs) bands (ev): -31.1140 -31.1140 -31.1010 -31.1010 -12.1843 -12.1843 -12.1178 -12.1178 -10.8216 -10.8216 -10.7092 -10.7092 -10.7038 -10.7038 -10.6662 -10.6662 -1.7360 -1.7360 0.5742 0.5742 2.3701 2.3701 6.6850 6.6850 7.5217 7.5217 8.4269 8.4269 8.8943 8.8943 8.9850 8.9850 9.1533 9.1533 10.7413 10.7413 11.1789 11.1789 11.2970 11.2970 12.8707 12.8707 12.9706 12.9706 13.5060 13.5060 k =-0.0443 0.1055 0.1144 ( 3129 PWs) bands (ev): -31.1141 -31.1141 -31.1010 -31.1010 -12.1840 -12.1840 -12.1168 -12.1168 -10.8219 -10.8219 -10.7075 -10.7075 -10.7019 -10.7019 -10.6660 -10.6660 -1.7561 -1.7561 0.5668 0.5668 2.3609 2.3609 6.8318 6.8318 7.5270 7.5270 8.5070 8.5070 8.8857 8.8857 8.9782 8.9782 9.0808 9.0808 10.7194 10.7194 11.0459 11.0459 11.3211 11.3211 12.8471 12.8471 13.0292 13.0292 13.5793 13.5793 k =-0.0380 0.0905 0.0981 ( 3129 PWs) bands (ev): -31.1143 -31.1143 -31.1011 -31.1011 -12.1838 -12.1838 -12.1159 -12.1159 -10.8221 -10.8221 -10.7061 -10.7061 -10.7002 -10.7002 -10.6658 -10.6658 -1.7737 -1.7737 0.5605 0.5605 2.3524 2.3524 6.9757 6.9757 7.5316 7.5316 8.5812 8.5812 8.8783 8.8783 8.9684 8.9684 9.0074 9.0074 10.6971 10.6971 10.9254 10.9254 11.3423 11.3423 12.8205 12.8205 13.0902 13.0902 13.6538 13.6538 k =-0.0316 0.0754 0.0817 ( 3133 PWs) bands (ev): -31.1144 -31.1144 -31.1012 -31.1012 -12.1836 -12.1836 -12.1152 -12.1152 -10.8223 -10.8223 -10.7048 -10.7048 -10.6987 -10.6987 -10.6656 -10.6656 -1.7887 -1.7887 0.5551 0.5551 2.3449 2.3449 7.1142 7.1142 7.5358 7.5358 8.6482 8.6482 8.8719 8.8719 8.9211 8.9211 8.9690 8.9690 10.6755 10.6755 10.8206 10.8206 11.3596 11.3596 12.7935 12.7935 13.1517 13.1517 13.7284 13.7284 k =-0.0253 0.0603 0.0654 ( 3135 PWs) bands (ev): -31.1145 -31.1145 -31.1012 -31.1012 -12.1835 -12.1835 -12.1146 -12.1146 -10.8225 -10.8225 -10.7038 -10.7038 -10.6975 -10.6975 -10.6654 -10.6654 -1.8010 -1.8010 0.5507 0.5507 2.3386 2.3386 7.2434 7.2434 7.5398 7.5398 8.7055 8.7055 8.8431 8.8431 8.8698 8.8698 8.9586 8.9586 10.6555 10.6555 10.7333 10.7333 11.3733 11.3733 12.7682 12.7682 13.2116 13.2116 13.8010 13.8010 k =-0.0190 0.0452 0.0490 ( 3135 PWs) bands (ev): -31.1146 -31.1146 -31.1013 -31.1013 -12.1834 -12.1834 -12.1141 -12.1141 -10.8227 -10.8227 -10.7030 -10.7030 -10.6966 -10.6966 -10.6652 -10.6652 -1.8106 -1.8106 0.5473 0.5473 2.3336 2.3336 7.3576 7.3576 7.5439 7.5439 8.7376 8.7376 8.7860 8.7860 8.8668 8.8668 8.9486 8.9486 10.6373 10.6373 10.6654 10.6654 11.3836 11.3836 12.7466 12.7466 13.2671 13.2671 13.8681 13.8681 k =-0.0127 0.0302 0.0327 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1013 -31.1013 -12.1833 -12.1833 -12.1137 -12.1137 -10.8228 -10.8228 -10.7024 -10.7024 -10.6960 -10.6960 -10.6651 -10.6651 -1.8174 -1.8174 0.5449 0.5449 2.3300 2.3300 7.4477 7.4477 7.5502 7.5502 8.6928 8.6928 8.8028 8.8028 8.8684 8.8684 8.9374 8.9374 10.6108 10.6108 10.6292 10.6292 11.3908 11.3908 12.7301 12.7301 13.3138 13.3138 13.9245 13.9245 k =-0.0063 0.0151 0.0163 ( 3127 PWs) bands (ev): -31.1146 -31.1146 -31.1013 -31.1013 -12.1832 -12.1832 -12.1135 -12.1135 -10.8229 -10.8229 -10.7020 -10.7020 -10.6956 -10.6956 -10.6650 -10.6650 -1.8215 -1.8215 0.5434 0.5434 2.3278 2.3278 7.4998 7.4998 7.5626 7.5626 8.6489 8.6489 8.8223 8.8223 8.8760 8.8760 8.9255 8.9255 10.5826 10.5826 10.6192 10.6192 11.3951 11.3951 12.7197 12.7197 13.3461 13.3461 13.9623 13.9623 k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1014 -31.1014 -12.1832 -12.1832 -12.1134 -12.1134 -10.8229 -10.8229 -10.7019 -10.7019 -10.6955 -10.6955 -10.6650 -10.6650 -1.8229 -1.8229 0.5429 0.5429 2.3270 2.3270 7.5131 7.5131 7.5723 7.5723 8.6325 8.6325 8.8280 8.8280 8.8826 8.8826 8.9186 8.9186 10.5728 10.5728 10.6161 10.6161 11.3965 11.3965 12.7162 12.7162 13.3577 13.3577 13.9714 13.9714 k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1014 -31.1014 -12.1832 -12.1832 -12.1134 -12.1134 -10.8229 -10.8229 -10.7019 -10.7019 -10.6955 -10.6955 -10.6650 -10.6650 -1.8229 -1.8229 0.5429 0.5429 2.3270 2.3270 7.5131 7.5131 7.5723 7.5723 8.6325 8.6325 8.8280 8.8280 8.8826 8.8826 8.9186 8.9186 10.5728 10.5728 10.6161 10.6161 11.3965 11.3965 12.7162 12.7162 13.3577 13.3577 13.9714 13.9714 k = 0.0217 0.0091-0.0000 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1014 -31.1014 -12.1831 -12.1831 -12.1135 -12.1135 -10.8227 -10.8227 -10.7019 -10.7019 -10.6955 -10.6955 -10.6652 -10.6652 -1.8213 -1.8213 0.5349 0.5349 2.3373 2.3373 7.5133 7.5133 7.5723 7.5723 8.6065 8.6065 8.8257 8.8257 8.8825 8.8825 8.9319 8.9319 10.4961 10.4961 10.6953 10.6953 11.4066 11.4066 12.7270 12.7270 13.3585 13.3585 13.9693 13.9693 k = 0.0435 0.0182-0.0000 ( 3129 PWs) bands (ev): -31.1146 -31.1146 -31.1014 -31.1014 -12.1829 -12.1829 -12.1138 -12.1138 -10.8223 -10.8223 -10.7019 -10.7019 -10.6955 -10.6955 -10.6657 -10.6657 -1.8166 -1.8166 0.5113 0.5113 2.3677 2.3677 7.5138 7.5138 7.5723 7.5723 8.5376 8.5376 8.8225 8.8225 8.8821 8.8821 8.9595 8.9595 10.4040 10.4040 10.7949 10.7949 11.4361 11.4361 12.7595 12.7595 13.3610 13.3610 13.9622 13.9622 k = 0.0652 0.0274-0.0000 ( 3133 PWs) bands (ev): -31.1145 -31.1145 -31.1015 -31.1015 -12.1824 -12.1824 -12.1141 -12.1141 -10.8215 -10.8215 -10.7020 -10.7020 -10.6954 -10.6954 -10.6666 -10.6666 -1.8086 -1.8086 0.4736 0.4736 2.4166 2.4166 7.5147 7.5147 7.5722 7.5722 8.4397 8.4397 8.8208 8.8208 8.8814 8.8814 8.9876 8.9876 10.3138 10.3138 10.8975 10.8975 11.4830 11.4830 12.8134 12.8134 13.3650 13.3650 13.9479 13.9480 k = 0.0870 0.0365-0.0000 ( 3141 PWs) bands (ev): -31.1144 -31.1144 -31.1016 -31.1016 -12.1818 -12.1818 -12.1147 -12.1147 -10.8204 -10.8204 -10.7022 -10.7022 -10.6954 -10.6954 -10.6678 -10.6678 -1.7976 -1.7976 0.4239 0.4239 2.4820 2.4820 7.5159 7.5159 7.5721 7.5721 8.3218 8.3218 8.8199 8.8199 8.8806 8.8806 9.0109 9.0109 10.2262 10.2262 11.0023 11.0023 11.5441 11.5441 12.8882 12.8882 13.3706 13.3706 13.9235 13.9238 k = 0.1087 0.0456-0.0000 ( 3141 PWs) bands (ev): -31.1143 -31.1143 -31.1018 -31.1018 -12.1811 -12.1811 -12.1154 -12.1154 -10.8189 -10.8189 -10.7024 -10.7024 -10.6954 -10.6954 -10.6693 -10.6693 -1.7833 -1.7833 0.3646 0.3646 2.5616 2.5616 7.5174 7.5174 7.5718 7.5718 8.1888 8.1888 8.8196 8.8196 8.8794 8.8794 9.0285 9.0285 10.1415 10.1415 11.1091 11.1091 11.6165 11.6165 12.9833 12.9833 13.3778 13.3778 13.8811 13.8814 k = 0.1304 0.0547-0.0000 ( 3141 PWs) bands (ev): -31.1141 -31.1141 -31.1019 -31.1019 -12.1802 -12.1802 -12.1162 -12.1162 -10.8172 -10.8172 -10.7026 -10.7026 -10.6954 -10.6954 -10.6711 -10.6711 -1.7660 -1.7660 0.2976 0.2976 2.6534 2.6534 7.5192 7.5192 7.5711 7.5711 8.0445 8.0445 8.8196 8.8196 8.8781 8.8781 9.0411 9.0411 10.0598 10.0598 11.2175 11.2175 11.6970 11.6970 13.0971 13.0971 13.3866 13.3866 13.8301 13.8301 k = 0.1522 0.0639-0.0000 ( 3142 PWs) bands (ev): -31.1139 -31.1139 -31.1021 -31.1021 -12.1791 -12.1791 -12.1172 -12.1172 -10.8152 -10.8152 -10.7029 -10.7029 -10.6954 -10.6954 -10.6731 -10.6731 -1.7455 -1.7455 0.2249 0.2249 2.7553 2.7553 7.5213 7.5213 7.5692 7.5692 7.8919 7.8919 8.8199 8.8199 8.8766 8.8766 9.0494 9.0494 9.9812 9.9812 11.3273 11.3273 11.7835 11.7835 13.2275 13.2275 13.3971 13.3971 13.7741 13.7741 k = 0.1739 0.0730-0.0000 ( 3142 PWs) bands (ev): -31.1137 -31.1137 -31.1023 -31.1023 -12.1779 -12.1779 -12.1183 -12.1183 -10.8129 -10.8129 -10.7034 -10.7034 -10.6953 -10.6953 -10.6754 -10.6754 -1.7219 -1.7219 0.1480 0.1480 2.8660 2.8660 7.5237 7.5237 7.5632 7.5632 7.7363 7.7363 8.8203 8.8203 8.8750 8.8750 9.0547 9.0547 9.9057 9.9057 11.4383 11.4383 11.8741 11.8741 13.3690 13.3690 13.4105 13.4105 13.7185 13.7185 k = 0.1957 0.0821-0.0000 ( 3146 PWs) bands (ev): -31.1135 -31.1135 -31.1026 -31.1026 -12.1765 -12.1765 -12.1195 -12.1195 -10.8103 -10.8103 -10.7040 -10.7040 -10.6953 -10.6953 -10.6778 -10.6778 -1.6953 -1.6953 0.0683 0.0683 2.9840 2.9840 7.5197 7.5197 7.5263 7.5263 7.6125 7.6125 8.8209 8.8209 8.8732 8.8732 9.0577 9.0577 9.8334 9.8334 11.5502 11.5502 11.9678 11.9678 13.4207 13.4207 13.5107 13.5107 13.6690 13.6690 k = 0.2174 0.0912-0.0000 ( 3142 PWs) bands (ev): -31.1132 -31.1132 -31.1028 -31.1028 -12.1750 -12.1750 -12.1209 -12.1209 -10.8074 -10.8074 -10.7049 -10.7049 -10.6953 -10.6953 -10.6803 -10.6803 -1.6656 -1.6656 -0.0133 -0.0133 3.1084 3.1084 7.3740 7.3740 7.5290 7.5290 7.5866 7.5866 8.8216 8.8216 8.8712 8.8712 9.0594 9.0594 9.7644 9.7644 11.6626 11.6626 12.0636 12.0636 13.4357 13.4357 13.5507 13.5507 13.6082 13.6082 k = 0.2391 0.1003-0.0000 ( 3138 PWs) bands (ev): -31.1129 -31.1129 -31.1031 -31.1031 -12.1734 -12.1734 -12.1224 -12.1224 -10.8043 -10.8043 -10.7061 -10.7061 -10.6952 -10.6952 -10.6827 -10.6827 -1.6329 -1.6329 -0.0959 -0.0959 3.2384 3.2384 7.2036 7.2036 7.5319 7.5319 7.5821 7.5821 8.8225 8.8225 8.8692 8.8692 9.0604 9.0604 9.6987 9.6987 11.7753 11.7753 12.1610 12.1610 13.4512 13.4512 13.5089 13.5089 13.5487 13.5487 k = 0.2609 0.1095-0.0000 ( 3130 PWs) bands (ev): -31.1125 -31.1125 -31.1034 -31.1034 -12.1716 -12.1716 -12.1240 -12.1240 -10.8009 -10.8009 -10.7076 -10.7076 -10.6952 -10.6952 -10.6851 -10.6851 -1.5972 -1.5972 -0.1789 -0.1789 3.3733 3.3733 7.0282 7.0282 7.5349 7.5349 7.5803 7.5803 8.8235 8.8235 8.8671 8.8671 9.0613 9.0613 9.6363 9.6363 11.8877 11.8877 12.2594 12.2594 13.4513 13.4513 13.4748 13.4748 13.4916 13.4916 k = 0.2826 0.1186-0.0000 ( 3122 PWs) bands (ev): -31.1122 -31.1122 -31.1037 -31.1037 -12.1698 -12.1698 -12.1258 -12.1258 -10.7972 -10.7972 -10.7097 -10.7097 -10.6951 -10.6951 -10.6871 -10.6871 -1.5586 -1.5586 -0.2618 -0.2618 3.5126 3.5126 6.8505 6.8505 7.5380 7.5380 7.5794 7.5794 8.8247 8.8247 8.8650 8.8650 9.0626 9.0626 9.5774 9.5774 11.9996 11.9996 12.3579 12.3579 13.4042 13.4042 13.4375 13.4375 13.4902 13.4902 k = 0.3043 0.1277-0.0000 ( 3122 PWs) bands (ev): -31.1118 -31.1118 -31.1041 -31.1041 -12.1678 -12.1678 -12.1276 -12.1276 -10.7934 -10.7934 -10.7123 -10.7123 -10.6951 -10.6951 -10.6889 -10.6889 -1.5171 -1.5171 -0.3442 -0.3442 3.6560 3.6560 6.6716 6.6716 7.5412 7.5412 7.5786 7.5786 8.8261 8.8261 8.8628 8.8628 9.0648 9.0648 9.5218 9.5218 12.1102 12.1102 12.4555 12.4555 13.3571 13.3571 13.3871 13.3871 13.5100 13.5100 k = 0.3261 0.1368-0.0000 ( 3114 PWs) bands (ev): -31.1114 -31.1114 -31.1045 -31.1045 -12.1658 -12.1658 -12.1295 -12.1295 -10.7893 -10.7893 -10.7154 -10.7154 -10.6950 -10.6950 -10.6903 -10.6903 -1.4728 -1.4728 -0.4257 -0.4257 3.8030 3.8030 6.4922 6.4922 7.5444 7.5444 7.5778 7.5778 8.8276 8.8276 8.8606 8.8606 9.0683 9.0683 9.4696 9.4696 12.2191 12.2191 12.5509 12.5509 13.3138 13.3138 13.3409 13.3409 13.5311 13.5311 k = 0.3478 0.1460-0.0000 ( 3122 PWs) bands (ev): -31.1111 -31.1111 -31.1048 -31.1048 -12.1636 -12.1636 -12.1316 -12.1316 -10.7850 -10.7850 -10.7190 -10.7190 -10.6950 -10.6950 -10.6914 -10.6914 -1.4256 -1.4256 -0.5061 -0.5061 3.9534 3.9534 6.3128 6.3128 7.5475 7.5475 7.5770 7.5770 8.8292 8.8292 8.8584 8.8584 9.0733 9.0733 9.4208 9.4208 12.3255 12.3255 12.6420 12.6420 13.2750 13.2750 13.2992 13.2992 13.5536 13.5536 k = 0.3696 0.1551-0.0000 ( 3122 PWs) bands (ev): -31.1107 -31.1107 -31.1053 -31.1053 -12.1614 -12.1614 -12.1337 -12.1337 -10.7806 -10.7806 -10.7230 -10.7230 -10.6949 -10.6949 -10.6922 -10.6922 -1.3757 -1.3757 -0.5852 -0.5852 4.1070 4.1070 6.1338 6.1338 7.5506 7.5506 7.5760 7.5760 8.8310 8.8310 8.8562 8.8562 9.0802 9.0802 9.3755 9.3755 12.4284 12.4284 12.7262 12.7262 13.2412 13.2412 13.2623 13.2623 13.5771 13.5771 k = 0.3913 0.1642-0.0000 ( 3138 PWs) bands (ev): -31.1103 -31.1103 -31.1057 -31.1057 -12.1592 -12.1592 -12.1358 -12.1358 -10.7760 -10.7760 -10.7274 -10.7274 -10.6949 -10.6949 -10.6928 -10.6928 -1.3230 -1.3230 -0.6626 -0.6626 4.2635 4.2635 5.9556 5.9556 7.5536 7.5536 7.5749 7.5749 8.8328 8.8328 8.8539 8.8539 9.0893 9.0893 9.3335 9.3335 12.5268 12.5268 12.8000 12.8000 13.2126 13.2126 13.2306 13.2306 13.6017 13.6017 k = 0.4130 0.1733-0.0000 ( 3138 PWs) bands (ev): -31.1098 -31.1098 -31.1062 -31.1062 -12.1569 -12.1569 -12.1381 -12.1381 -10.7713 -10.7713 -10.7319 -10.7319 -10.6948 -10.6948 -10.6933 -10.6933 -1.2677 -1.2677 -0.7384 -0.7384 4.4229 4.4229 5.7785 5.7785 7.5565 7.5565 7.5737 7.5737 8.8348 8.8348 8.8517 8.8517 9.1007 9.1007 9.2949 9.2949 12.6193 12.6193 12.8591 12.8591 13.1896 13.1896 13.2042 13.2042 13.6272 13.6272 k = 0.4348 0.1824-0.0000 ( 3138 PWs) bands (ev): -31.1094 -31.1094 -31.1066 -31.1066 -12.1545 -12.1545 -12.1403 -12.1403 -10.7665 -10.7665 -10.7367 -10.7367 -10.6947 -10.6947 -10.6937 -10.6937 -1.2099 -1.2099 -0.8122 -0.8122 4.5848 4.5848 5.6026 5.6026 7.5593 7.5593 7.5722 7.5722 8.8368 8.8368 8.8495 8.8495 9.1146 9.1146 9.2596 9.2596 12.7040 12.7040 12.8995 12.8995 13.1724 13.1724 13.1832 13.1832 13.6536 13.6536 k = 0.4565 0.1916-0.0000 ( 3146 PWs) bands (ev): -31.1089 -31.1089 -31.1071 -31.1071 -12.1522 -12.1522 -12.1427 -12.1427 -10.7615 -10.7615 -10.7416 -10.7416 -10.6946 -10.6946 -10.6939 -10.6939 -1.1495 -1.1495 -0.8841 -0.8841 4.7492 4.7492 5.4282 5.4282 7.5619 7.5619 7.5705 7.5705 8.8388 8.8388 8.8474 8.8474 9.1313 9.1313 9.2276 9.2276 12.7787 12.7787 12.9178 12.9178 13.1609 13.1609 13.1679 13.1679 13.6807 13.6807 k = 0.4783 0.2007-0.0000 ( 3146 PWs) bands (ev): -31.1085 -31.1085 -31.1076 -31.1076 -12.1498 -12.1498 -12.1450 -12.1450 -10.7566 -10.7566 -10.7465 -10.7465 -10.6945 -10.6945 -10.6942 -10.6942 -1.0866 -1.0866 -0.9538 -0.9538 4.9158 4.9158 5.2555 5.2555 7.5643 7.5643 7.5687 7.5687 8.8409 8.8409 8.8452 8.8452 9.1508 9.1508 9.1989 9.1989 12.8406 12.8406 12.9130 12.9130 13.1548 13.1548 13.1581 13.1581 13.7085 13.7085 k = 0.5000 0.2098-0.0000 ( 3138 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1474 -12.1474 -12.1474 -12.1474 -10.7516 -10.7516 -10.7516 -10.7516 -10.6943 -10.6943 -10.6943 -10.6943 -1.0214 -1.0214 -1.0214 -1.0214 5.0847 5.0847 5.0847 5.0847 7.5666 7.5666 7.5666 7.5666 8.8430 8.8430 8.8430 8.8430 9.1733 9.1733 9.1733 9.1733 12.8864 12.8864 12.8864 12.8864 13.1538 13.1538 13.1538 13.1538 13.7369 13.7369 k = 0.5000 0.2098-0.0000 ( 3138 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1474 -12.1474 -12.1474 -12.1474 -10.7516 -10.7516 -10.7516 -10.7516 -10.6943 -10.6943 -10.6943 -10.6943 -1.0214 -1.0214 -1.0214 -1.0214 5.0847 5.0847 5.0847 5.0847 7.5666 7.5666 7.5666 7.5666 8.8430 8.8430 8.8430 8.8430 9.1733 9.1733 9.1733 9.1733 12.8864 12.8864 12.8864 12.8864 13.1538 13.1538 13.1538 13.1538 13.7369 13.7369 k = 0.4937 0.2249 0.0164 ( 3134 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1477 -12.1477 -12.1472 -12.1472 -10.7525 -10.7525 -10.7507 -10.7507 -10.6950 -10.6950 -10.6938 -10.6938 -1.0206 -1.0206 -1.0199 -1.0199 5.0817 5.0817 5.0860 5.0860 7.5512 7.5512 7.5663 7.5663 8.8330 8.8330 8.8445 8.8445 9.1740 9.1740 9.1983 9.1983 12.8423 12.8423 12.8940 12.8940 13.1190 13.1190 13.1821 13.1821 13.7389 13.7389 k = 0.4873 0.2400 0.0327 ( 3136 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1480 -12.1480 -12.1471 -12.1471 -10.7535 -10.7535 -10.7498 -10.7498 -10.6959 -10.6959 -10.6935 -10.6935 -1.0182 -1.0182 -1.0155 -1.0155 5.0742 5.0742 5.0882 5.0882 7.5071 7.5071 7.5652 7.5652 8.8096 8.8096 8.8475 8.8475 9.1776 9.1776 9.2647 9.2647 12.7474 12.7474 12.9090 12.9090 13.0352 13.0352 13.2340 13.2340 13.7451 13.7451 k = 0.4810 0.2551 0.0491 ( 3136 PWs) bands (ev): -31.1080 -31.1080 -31.1079 -31.1079 -12.1485 -12.1485 -12.1471 -12.1471 -10.7547 -10.7547 -10.7491 -10.7491 -10.6969 -10.6969 -10.6933 -10.6933 -1.0143 -1.0143 -1.0082 -1.0082 5.0616 5.0616 5.0919 5.0919 7.4394 7.4394 7.5634 7.5634 8.7798 8.7798 8.8525 8.8525 9.1836 9.1836 9.3608 9.3608 12.6294 12.6294 12.9248 12.9248 12.9356 12.9356 13.2819 13.2819 13.7554 13.7554 k = 0.4747 0.2702 0.0655 ( 3136 PWs) bands (ev): -31.1079 -31.1079 -31.1078 -31.1078 -12.1490 -12.1490 -12.1472 -12.1472 -10.7559 -10.7559 -10.7484 -10.7484 -10.6982 -10.6982 -10.6932 -10.6932 -1.0089 -1.0089 -0.9979 -0.9979 5.0436 5.0436 5.0971 5.0971 7.3546 7.3546 7.5609 7.5609 8.7469 8.7469 8.8593 8.8593 9.1918 9.1918 9.4774 9.4774 12.5000 12.5000 12.8068 12.8068 12.9686 12.9686 13.3166 13.3166 13.7699 13.7699 k = 0.4683 0.2853 0.0818 ( 3132 PWs) bands (ev): -31.1079 -31.1079 -31.1077 -31.1077 -12.1496 -12.1496 -12.1474 -12.1474 -10.7571 -10.7571 -10.7478 -10.7478 -10.6995 -10.6995 -10.6932 -10.6932 -1.0019 -1.0019 -0.9847 -0.9847 5.0198 5.0198 5.1036 5.1036 7.2587 7.2587 7.5575 7.5575 8.7118 8.7118 8.8680 8.8680 9.2022 9.2022 9.6084 9.6084 12.3641 12.3641 12.6830 12.6830 13.0123 13.0123 13.3367 13.3367 13.7884 13.7884 k = 0.4620 0.3004 0.0982 ( 3128 PWs) bands (ev): -31.1078 -31.1078 -31.1076 -31.1076 -12.1503 -12.1503 -12.1477 -12.1477 -10.7585 -10.7585 -10.7473 -10.7473 -10.7011 -10.7011 -10.6934 -10.6934 -0.9935 -0.9935 -0.9687 -0.9687 4.9898 4.9898 5.1115 5.1115 7.1566 7.1566 7.5535 7.5535 8.6744 8.6744 8.8788 8.8788 9.2146 9.2146 9.7496 9.7496 12.2249 12.2249 12.5579 12.5579 13.0646 13.0646 13.3432 13.3432 13.8109 13.8109 k = 0.4557 0.3155 0.1146 ( 3128 PWs) bands (ev): -31.1077 -31.1077 -31.1074 -31.1074 -12.1511 -12.1511 -12.1480 -12.1480 -10.7600 -10.7600 -10.7469 -10.7469 -10.7027 -10.7027 -10.6936 -10.6936 -0.9836 -0.9836 -0.9497 -0.9497 4.9531 4.9531 5.1206 5.1206 7.0525 7.0525 7.5486 7.5486 8.6347 8.6347 8.8915 8.8915 9.2287 9.2287 9.8981 9.8981 12.0842 12.0842 12.4331 12.4331 13.1250 13.1250 13.3383 13.3383 13.8373 13.8373 k = 0.4493 0.3305 0.1309 ( 3124 PWs) bands (ev): -31.1076 -31.1076 -31.1073 -31.1073 -12.1520 -12.1520 -12.1485 -12.1485 -10.7617 -10.7617 -10.7466 -10.7466 -10.7045 -10.7045 -10.6939 -10.6939 -0.9724 -0.9724 -0.9278 -0.9278 4.9092 4.9092 5.1310 5.1310 6.9494 6.9494 7.5430 7.5430 8.5930 8.5930 8.9064 8.9064 9.2443 9.2443 10.0514 10.0514 11.9436 11.9436 12.3094 12.3094 13.1924 13.1924 13.3247 13.3247 13.8675 13.8675 k = 0.4430 0.3456 0.1473 ( 3128 PWs) bands (ev): -31.1075 -31.1075 -31.1071 -31.1071 -12.1529 -12.1529 -12.1490 -12.1490 -10.7634 -10.7634 -10.7465 -10.7465 -10.7063 -10.7063 -10.6942 -10.6942 -0.9598 -0.9598 -0.9031 -0.9031 4.8576 4.8576 5.1424 5.1424 6.8496 6.8496 7.5365 7.5365 8.5494 8.5494 8.9236 8.9236 9.2611 9.2611 10.2079 10.2079 11.8044 11.8044 12.1874 12.1874 13.2621 13.2621 13.3086 13.3086 13.9016 13.9016 k = 0.4367 0.3607 0.1637 ( 3140 PWs) bands (ev): -31.1075 -31.1075 -31.1070 -31.1070 -12.1539 -12.1539 -12.1496 -12.1496 -10.7653 -10.7653 -10.7465 -10.7465 -10.7082 -10.7082 -10.6945 -10.6945 -0.9460 -0.9460 -0.8755 -0.8755 4.7980 4.7980 5.1549 5.1549 6.7550 6.7550 7.5293 7.5293 8.5044 8.5044 8.9431 8.9431 9.2785 9.2785 10.3664 10.3664 11.6678 11.6678 12.0674 12.0674 13.2706 13.2706 13.3543 13.3543 13.9393 13.9393 k = 0.4303 0.3758 0.1800 ( 3144 PWs) bands (ev): -31.1074 -31.1074 -31.1068 -31.1068 -12.1549 -12.1549 -12.1503 -12.1503 -10.7673 -10.7673 -10.7468 -10.7468 -10.7101 -10.7101 -10.6948 -10.6948 -0.9311 -0.9311 -0.8450 -0.8450 4.7301 4.7301 5.1684 5.1684 6.6666 6.6666 7.5213 7.5213 8.4586 8.4586 8.9651 8.9651 9.2961 9.2961 10.5257 10.5257 11.5347 11.5347 11.9498 11.9498 13.2429 13.2429 13.4373 13.4373 13.9807 13.9807 k = 0.4240 0.3909 0.1964 ( 3140 PWs) bands (ev): -31.1072 -31.1072 -31.1065 -31.1065 -12.1560 -12.1560 -12.1511 -12.1511 -10.7694 -10.7694 -10.7473 -10.7473 -10.7119 -10.7119 -10.6950 -10.6950 -0.9150 -0.9150 -0.8118 -0.8118 4.6539 4.6539 5.1825 5.1825 6.5854 6.5854 7.5126 7.5126 8.4124 8.4124 8.9896 8.9896 9.3133 9.3133 10.6850 10.6850 11.4063 11.4063 11.8346 11.8346 13.2117 13.2117 13.5247 13.5247 14.0255 14.0255 k = 0.4177 0.4060 0.2128 ( 3140 PWs) bands (ev): -31.1071 -31.1071 -31.1063 -31.1063 -12.1572 -12.1572 -12.1519 -12.1519 -10.7717 -10.7717 -10.7481 -10.7481 -10.7136 -10.7136 -10.6952 -10.6952 -0.8980 -0.8980 -0.7757 -0.7757 4.5696 4.5696 5.1973 5.1973 6.5118 6.5118 7.5031 7.5031 8.3664 8.3664 9.0168 9.0168 9.3294 9.3294 10.8434 10.8434 11.2837 11.2837 11.7222 11.7222 13.1796 13.1796 13.6133 13.6133 14.0738 14.0738 k = 0.4113 0.4211 0.2291 ( 3140 PWs) bands (ev): -31.1070 -31.1070 -31.1060 -31.1060 -12.1584 -12.1584 -12.1528 -12.1528 -10.7741 -10.7741 -10.7492 -10.7492 -10.7151 -10.7151 -10.6953 -10.6953 -0.8801 -0.8801 -0.7369 -0.7369 4.4778 4.4778 5.2126 5.2126 6.4457 6.4457 7.4930 7.4930 8.3210 8.3210 9.0466 9.0466 9.3434 9.3434 10.9993 10.9993 11.1689 11.1689 11.6128 11.6128 13.1478 13.1478 13.6997 13.6997 14.1254 14.1254 k = 0.4050 0.4362 0.2455 ( 3148 PWs) bands (ev): -31.1069 -31.1069 -31.1058 -31.1058 -12.1596 -12.1596 -12.1538 -12.1538 -10.7766 -10.7766 -10.7506 -10.7506 -10.7165 -10.7165 -10.6953 -10.6953 -0.8615 -0.8615 -0.6953 -0.6953 4.3790 4.3790 5.2281 5.2281 6.3868 6.3868 7.4823 7.4823 8.2769 8.2769 9.0792 9.0792 9.3545 9.3545 11.0537 11.0537 11.1607 11.1607 11.5076 11.5076 13.1174 13.1174 13.7800 13.7800 14.1801 14.1801 k = 0.3987 0.4513 0.2619 ( 3146 PWs) bands (ev): -31.1068 -31.1068 -31.1055 -31.1055 -12.1609 -12.1609 -12.1548 -12.1548 -10.7791 -10.7791 -10.7524 -10.7524 -10.7176 -10.7176 -10.6953 -10.6953 -0.8421 -0.8421 -0.6510 -0.6510 4.2741 4.2741 5.2437 5.2437 6.3348 6.3348 7.4710 7.4710 8.2344 8.2344 9.1147 9.1147 9.3617 9.3617 10.9569 10.9569 11.2990 11.2990 11.4171 11.4171 13.0892 13.0892 13.8479 13.8479 14.2378 14.2378 k = 0.3923 0.4664 0.2782 ( 3144 PWs) bands (ev): -31.1066 -31.1066 -31.1052 -31.1052 -12.1622 -12.1622 -12.1558 -12.1558 -10.7818 -10.7818 -10.7545 -10.7545 -10.7186 -10.7186 -10.6951 -10.6951 -0.8223 -0.8223 -0.6040 -0.6040 4.1639 4.1639 5.2592 5.2592 6.2891 6.2891 7.4593 7.4593 8.1940 8.1940 9.1529 9.1529 9.3639 9.3639 10.8678 10.8678 11.2840 11.2840 11.4833 11.4833 13.0640 13.0640 13.8950 13.8950 14.2981 14.2983 k = 0.3860 0.4815 0.2946 ( 3144 PWs) bands (ev): -31.1065 -31.1065 -31.1049 -31.1049 -12.1636 -12.1636 -12.1569 -12.1569 -10.7845 -10.7845 -10.7569 -10.7569 -10.7193 -10.7193 -10.6948 -10.6948 -0.8020 -0.8020 -0.5543 -0.5543 4.0493 4.0493 5.2743 5.2743 6.2488 6.2488 7.4472 7.4472 8.1561 8.1561 9.1940 9.1940 9.3602 9.3602 10.7895 10.7895 11.1904 11.1904 11.6293 11.6293 13.0422 13.0422 13.9121 13.9121 14.2895 14.2895 k = 0.3797 0.4966 0.3110 ( 3146 PWs) bands (ev): -31.1064 -31.1064 -31.1046 -31.1046 -12.1649 -12.1649 -12.1580 -12.1580 -10.7872 -10.7872 -10.7596 -10.7596 -10.7199 -10.7199 -10.6944 -10.6944 -0.7814 -0.7814 -0.5020 -0.5020 3.9313 3.9313 5.2887 5.2887 6.2136 6.2136 7.4349 7.4349 8.1211 8.1211 9.2378 9.2378 9.3501 9.3501 10.7229 10.7229 11.0953 11.0953 11.7777 11.7777 13.0246 13.0246 13.8944 13.8944 14.2643 14.2643 k = 0.3733 0.5117 0.3273 ( 3142 PWs) bands (ev): -31.1062 -31.1062 -31.1043 -31.1043 -12.1663 -12.1663 -12.1592 -12.1592 -10.7900 -10.7900 -10.7624 -10.7624 -10.7204 -10.7204 -10.6940 -10.6940 -0.7608 -0.7608 -0.4470 -0.4470 3.8105 3.8105 5.3022 5.3022 6.1826 6.1826 7.4223 7.4223 8.0892 8.0892 9.2833 9.2833 9.3341 9.3341 10.6684 10.6684 11.0021 11.0021 11.9247 11.9247 13.0114 13.0114 13.8465 13.8465 14.2354 14.2354 k = 0.3670 0.5267 0.3437 ( 3144 PWs) bands (ev): -31.1061 -31.1061 -31.1040 -31.1040 -12.1677 -12.1677 -12.1603 -12.1603 -10.7927 -10.7927 -10.7655 -10.7655 -10.7207 -10.7207 -10.6934 -10.6934 -0.7401 -0.7401 -0.3895 -0.3895 3.6878 3.6878 5.3145 5.3145 6.1554 6.1554 7.4097 7.4097 8.0608 8.0608 9.3029 9.3029 9.3403 9.3403 10.6259 10.6259 10.9115 10.9115 12.0696 12.0696 13.0031 13.0031 13.7779 13.7779 14.2029 14.2029 k = 0.3607 0.5418 0.3601 ( 3150 PWs) bands (ev): -31.1060 -31.1060 -31.1038 -31.1038 -12.1690 -12.1690 -12.1614 -12.1614 -10.7954 -10.7954 -10.7686 -10.7686 -10.7210 -10.7210 -10.6928 -10.6928 -0.7197 -0.7197 -0.3295 -0.3295 3.5639 3.5639 5.3253 5.3253 6.1316 6.1316 7.3971 7.3971 8.0361 8.0361 9.2754 9.2754 9.3903 9.3903 10.5945 10.5945 10.8235 10.8235 12.2115 12.2115 12.9998 12.9998 13.6972 13.6972 14.1666 14.1666 k = 0.3543 0.5569 0.3764 ( 3152 PWs) bands (ev): -31.1059 -31.1059 -31.1035 -31.1035 -12.1704 -12.1704 -12.1625 -12.1625 -10.7981 -10.7981 -10.7718 -10.7718 -10.7212 -10.7212 -10.6920 -10.6920 -0.6996 -0.6996 -0.2669 -0.2669 3.4394 3.4394 5.3342 5.3342 6.1107 6.1107 7.3847 7.3847 8.0151 8.0151 9.2409 9.2409 9.4457 9.4457 10.5729 10.5729 10.7385 10.7385 12.3493 12.3493 13.0016 13.0016 13.6110 13.6110 14.1267 14.1267 k = 0.3480 0.5720 0.3928 ( 3154 PWs) bands (ev): -31.1058 -31.1058 -31.1032 -31.1032 -12.1718 -12.1718 -12.1636 -12.1636 -10.8007 -10.8007 -10.7751 -10.7751 -10.7214 -10.7214 -10.6912 -10.6912 -0.6800 -0.6800 -0.2019 -0.2019 3.3149 3.3149 5.3410 5.3410 6.0925 6.0925 7.3724 7.3724 7.9982 7.9982 9.2028 9.2028 9.5042 9.5042 10.5590 10.5590 10.6570 10.6570 12.4812 12.4812 13.0085 13.0085 13.5243 13.5243 14.0836 14.0836 k = 0.3417 0.5871 0.4092 ( 3154 PWs) bands (ev): -31.1057 -31.1057 -31.1029 -31.1029 -12.1731 -12.1731 -12.1646 -12.1646 -10.8032 -10.8032 -10.7783 -10.7783 -10.7216 -10.7216 -10.6904 -10.6904 -0.6611 -0.6611 -0.1346 -0.1346 3.1908 3.1908 5.3454 5.3454 6.0768 6.0768 7.3605 7.3605 7.9853 7.9853 9.1632 9.1632 9.5657 9.5657 10.5458 10.5458 10.5844 10.5844 12.6031 12.6031 13.0202 13.0202 13.4430 13.4430 14.0381 14.0381 k = 0.3353 0.6022 0.4255 ( 3150 PWs) bands (ev): -31.1056 -31.1056 -31.1025 -31.1025 -12.1745 -12.1745 -12.1656 -12.1656 -10.8055 -10.8055 -10.7815 -10.7815 -10.7218 -10.7218 -10.6895 -10.6895 -0.6431 -0.6431 -0.0648 -0.0648 3.0675 3.0675 5.3470 5.3470 6.0634 6.0634 7.3490 7.3490 7.9765 7.9765 9.1237 9.1237 9.6301 9.6301 10.4916 10.4916 10.5609 10.5609 12.7070 12.7070 13.0360 13.0360 13.3763 13.3763 13.9915 13.9915 k = 0.3290 0.6173 0.4419 ( 3150 PWs) bands (ev): -31.1055 -31.1055 -31.1022 -31.1022 -12.1758 -12.1758 -12.1666 -12.1666 -10.8077 -10.8077 -10.7847 -10.7847 -10.7219 -10.7219 -10.6885 -10.6885 -0.6262 -0.6262 0.0072 0.0072 2.9455 2.9455 5.3455 5.3455 6.0524 6.0524 7.3380 7.3380 7.9718 7.9718 9.0859 9.0859 9.6972 9.6972 10.4192 10.4192 10.5619 10.5619 12.7774 12.7774 13.0545 13.0545 13.3406 13.3406 13.9455 13.9455 k = 0.3227 0.6324 0.4583 ( 3150 PWs) bands (ev): -31.1055 -31.1055 -31.1020 -31.1020 -12.1771 -12.1771 -12.1674 -12.1674 -10.8098 -10.8098 -10.7877 -10.7877 -10.7221 -10.7221 -10.6876 -10.6876 -0.6106 -0.6106 0.0815 0.0815 2.8251 2.8251 5.3409 5.3409 6.0435 6.0435 7.3276 7.3276 7.9712 7.9712 9.0512 9.0512 9.7672 9.7672 10.3478 10.3478 10.5674 10.5674 12.7968 12.7968 13.0722 13.0722 13.3554 13.3554 13.9025 13.9025 k = 0.3163 0.6475 0.4746 ( 3160 PWs) bands (ev): -31.1054 -31.1054 -31.1017 -31.1017 -12.1784 -12.1784 -12.1682 -12.1682 -10.8117 -10.8117 -10.7907 -10.7907 -10.7223 -10.7223 -10.6866 -10.6866 -0.5964 -0.5964 0.1580 0.1580 2.7066 2.7066 5.3327 5.3327 6.0370 6.0370 7.3178 7.3178 7.9746 7.9746 9.0208 9.0208 9.8399 9.8399 10.2785 10.2785 10.5750 10.5750 12.7652 12.7652 13.0859 13.0859 13.4211 13.4211 13.8653 13.8653 k = 0.3100 0.6626 0.4910 ( 3156 PWs) bands (ev): -31.1054 -31.1054 -31.1014 -31.1014 -12.1796 -12.1796 -12.1688 -12.1688 -10.8134 -10.8134 -10.7935 -10.7935 -10.7226 -10.7226 -10.6855 -10.6855 -0.5839 -0.5839 0.2366 0.2366 2.5903 2.5903 5.3210 5.3210 6.0328 6.0328 7.3088 7.3088 7.9819 7.9819 8.9955 8.9955 9.9152 9.9152 10.2116 10.2116 10.5835 10.5835 12.7009 12.7009 13.0935 13.0935 13.5182 13.5182 13.8358 13.8358 k = 0.3037 0.6777 0.5074 ( 3162 PWs) bands (ev): -31.1054 -31.1054 -31.1012 -31.1012 -12.1808 -12.1808 -12.1694 -12.1694 -10.8150 -10.8150 -10.7961 -10.7961 -10.7228 -10.7228 -10.6845 -10.6845 -0.5733 -0.5733 0.3172 0.3172 2.4765 2.4765 5.3056 5.3056 6.0311 6.0311 7.3005 7.3005 7.9930 7.9930 8.9760 8.9760 9.9931 9.9931 10.1472 10.1472 10.5924 10.5924 12.6201 12.6201 13.0917 13.0917 13.6300 13.6300 13.8055 13.8055 k = 0.2973 0.6928 0.5237 ( 3156 PWs) bands (ev): -31.1054 -31.1054 -31.1009 -31.1009 -12.1819 -12.1819 -12.1698 -12.1698 -10.8163 -10.8163 -10.7986 -10.7986 -10.7231 -10.7231 -10.6835 -10.6835 -0.5647 -0.5647 0.3998 0.3998 2.3655 2.3655 5.2866 5.2866 6.0320 6.0320 7.2931 7.2931 8.0078 8.0078 8.9629 8.9629 10.0730 10.0730 10.0858 10.0858 10.6009 10.6009 12.5314 12.5314 13.0774 13.0774 13.7472 13.7472 13.7534 13.7534 k = 0.2910 0.7079 0.5401 ( 3146 PWs) bands (ev): -31.1054 -31.1054 -31.1006 -31.1006 -12.1830 -12.1830 -12.1702 -12.1702 -10.8175 -10.8175 -10.8009 -10.8009 -10.7234 -10.7234 -10.6824 -10.6824 -0.5584 -0.5584 0.4842 0.4842 2.2574 2.2574 5.2641 5.2641 6.0356 6.0356 7.2866 7.2866 8.0261 8.0261 8.9566 8.9566 10.0253 10.0253 10.1568 10.1568 10.6088 10.6088 12.4391 12.4391 13.0500 13.0500 13.6905 13.6905 13.8614 13.8614 k = 0.2847 0.7229 0.5565 ( 3140 PWs) bands (ev): -31.1054 -31.1054 -31.1004 -31.1004 -12.1841 -12.1841 -12.1704 -12.1704 -10.8184 -10.8184 -10.8029 -10.8029 -10.7238 -10.7238 -10.6814 -10.6814 -0.5546 -0.5546 0.5704 0.5704 2.1525 2.1525 5.2382 5.2382 6.0420 6.0420 7.2811 7.2811 8.0477 8.0477 8.9573 8.9573 9.9680 9.9680 10.2423 10.2423 10.6157 10.6157 12.3456 12.3456 13.0108 13.0108 13.6260 13.6260 13.8236 13.8236 k = 0.2783 0.7380 0.5728 ( 3136 PWs) bands (ev): -31.1054 -31.1054 -31.1002 -31.1002 -12.1850 -12.1850 -12.1704 -12.1704 -10.8192 -10.8192 -10.8047 -10.8047 -10.7242 -10.7242 -10.6804 -10.6804 -0.5535 -0.5535 0.6581 0.6581 2.0510 2.0510 5.2093 5.2093 6.0514 6.0514 7.2765 7.2765 8.0726 8.0726 8.9651 8.9651 9.9128 9.9128 10.3301 10.3301 10.6213 10.6213 12.2520 12.2520 12.9624 12.9624 13.5615 13.5615 13.7405 13.7405 k = 0.2720 0.7531 0.5892 ( 3136 PWs) bands (ev): -31.1055 -31.1055 -31.1000 -31.1000 -12.1860 -12.1860 -12.1704 -12.1704 -10.8198 -10.8198 -10.8062 -10.8062 -10.7246 -10.7246 -10.6794 -10.6794 -0.5551 -0.5551 0.7474 0.7474 1.9532 1.9532 5.1775 5.1775 6.0639 6.0639 7.2729 7.2729 8.1004 8.1004 8.9799 8.9799 9.8599 9.8599 10.4202 10.4202 10.6255 10.6255 12.1593 12.1593 12.9077 12.9077 13.4980 13.4980 13.6598 13.6598 k = 0.2720 0.7531 0.5892 ( 3136 PWs) bands (ev): -31.1055 -31.1055 -31.1000 -31.1000 -12.1860 -12.1860 -12.1704 -12.1704 -10.8198 -10.8198 -10.8062 -10.8062 -10.7246 -10.7246 -10.6794 -10.6794 -0.5551 -0.5551 0.7474 0.7474 1.9532 1.9532 5.1775 5.1775 6.0639 6.0639 7.2729 7.2729 8.1004 8.1004 8.9799 8.9799 9.8599 9.8599 10.4202 10.4202 10.6255 10.6255 12.1593 12.1593 12.9077 12.9077 13.4980 13.4980 13.6598 13.6598 k = 0.2493 0.7488 0.5940 ( 3136 PWs) bands (ev): -31.1055 -31.1055 -31.0999 -31.0999 -12.1862 -12.1862 -12.1703 -12.1703 -10.8199 -10.8199 -10.8066 -10.8066 -10.7247 -10.7247 -10.6791 -10.6791 -0.5566 -0.5566 0.7748 0.7748 1.9248 1.9248 5.1614 5.1614 6.0792 6.0792 7.2721 7.2721 8.0909 8.0909 9.0046 9.0046 9.8418 9.8418 10.4521 10.4521 10.6262 10.6262 12.1041 12.1041 12.9174 12.9174 13.4245 13.4245 13.6958 13.6958 k = 0.2267 0.7444 0.5987 ( 3139 PWs) bands (ev): -31.1055 -31.1055 -31.0999 -31.0999 -12.1865 -12.1865 -12.1702 -12.1702 -10.8200 -10.8200 -10.8071 -10.8071 -10.7248 -10.7248 -10.6788 -10.6788 -0.5590 -0.5590 0.8045 0.8045 1.8956 1.8956 5.1341 5.1341 6.1148 6.1148 7.2714 7.2714 8.0487 8.0487 9.0648 9.0648 9.8192 9.8192 10.4927 10.4927 10.6265 10.6265 12.0024 12.0024 12.9698 12.9698 13.3123 13.3123 13.7782 13.7782 k = 0.2040 0.7400 0.6034 ( 3137 PWs) bands (ev): -31.1056 -31.1056 -31.0998 -31.0998 -12.1869 -12.1869 -12.1700 -12.1700 -10.8200 -10.8200 -10.8076 -10.8076 -10.7249 -10.7249 -10.6785 -10.6785 -0.5621 -0.5621 0.8359 0.8359 1.8659 1.8659 5.0994 5.0994 6.1671 6.1671 7.2707 7.2707 7.9820 7.9820 9.1522 9.1522 9.7946 9.7946 10.5391 10.5391 10.6265 10.6265 11.8721 11.8721 13.0474 13.0474 13.1986 13.1986 13.8706 13.8706 k = 0.1813 0.7356 0.6082 ( 3137 PWs) bands (ev): -31.1056 -31.1056 -31.0997 -31.0997 -12.1872 -12.1872 -12.1699 -12.1699 -10.8200 -10.8200 -10.8082 -10.8082 -10.7249 -10.7249 -10.6782 -10.6782 -0.5655 -0.5655 0.8682 0.8682 1.8361 1.8361 5.0610 5.0610 6.2323 6.2323 7.2702 7.2702 7.8993 7.8993 9.2586 9.2586 9.7699 9.7699 10.5888 10.5888 10.6263 10.6263 11.7262 11.7262 13.0830 13.0830 13.1442 13.1442 13.9669 13.9669 k = 0.1587 0.7313 0.6129 ( 3137 PWs) bands (ev): -31.1057 -31.1057 -31.0997 -31.0997 -12.1875 -12.1875 -12.1697 -12.1697 -10.8199 -10.8199 -10.8088 -10.8088 -10.7250 -10.7250 -10.6780 -10.6780 -0.5691 -0.5691 0.9006 0.9006 1.8067 1.8067 5.0219 5.0219 6.3072 6.3072 7.2696 7.2696 7.8068 7.8068 9.3777 9.3777 9.7463 9.7463 10.6247 10.6247 10.6409 10.6409 11.5722 11.5722 12.9821 12.9821 13.2387 13.2387 14.0640 14.0640 k = 0.1360 0.7269 0.6177 ( 3140 PWs) bands (ev): -31.1057 -31.1057 -31.0996 -31.0996 -12.1877 -12.1877 -12.1696 -12.1696 -10.8198 -10.8198 -10.8094 -10.8094 -10.7250 -10.7250 -10.6777 -10.6777 -0.5726 -0.5726 0.9323 0.9323 1.7783 1.7783 4.9846 4.9846 6.3890 6.3890 7.2691 7.2691 7.7088 7.7088 9.5054 9.5054 9.7249 9.7249 10.6245 10.6245 10.6906 10.6906 11.4145 11.4145 12.8869 12.8869 13.3372 13.3372 14.1210 14.1210 k = 0.1133 0.7225 0.6224 ( 3143 PWs) bands (ev): -31.1058 -31.1058 -31.0996 -31.0996 -12.1880 -12.1880 -12.1694 -12.1694 -10.8196 -10.8196 -10.8100 -10.8100 -10.7249 -10.7249 -10.6775 -10.6775 -0.5759 -0.5759 0.9622 0.9622 1.7518 1.7518 4.9508 4.9508 6.4756 6.4756 7.2684 7.2684 7.6083 7.6083 9.6373 9.6373 9.7076 9.7076 10.6237 10.6237 10.7380 10.7380 11.2559 11.2559 12.8013 12.8013 13.4342 13.4342 14.1145 14.1145 k = 0.0907 0.7182 0.6271 ( 3141 PWs) bands (ev): -31.1058 -31.1058 -31.0995 -31.0995 -12.1882 -12.1882 -12.1693 -12.1693 -10.8194 -10.8194 -10.8105 -10.8105 -10.7249 -10.7249 -10.6773 -10.6773 -0.5787 -0.5787 0.9892 0.9892 1.7278 1.7278 4.9217 4.9217 6.5648 6.5648 7.2672 7.2672 7.5083 7.5083 9.6867 9.6867 9.7796 9.7796 10.6227 10.6227 10.7801 10.7801 11.0994 11.0994 12.7273 12.7273 13.5269 13.5269 14.0966 14.0966 k = 0.0680 0.7138 0.6319 ( 3140 PWs) bands (ev): -31.1058 -31.1058 -31.0995 -31.0995 -12.1884 -12.1884 -12.1692 -12.1692 -10.8192 -10.8192 -10.8110 -10.8110 -10.7249 -10.7249 -10.6772 -10.6772 -0.5811 -0.5811 1.0122 1.0122 1.7075 1.7075 4.8982 4.8982 6.6536 6.6536 7.2647 7.2647 7.4126 7.4126 9.6751 9.6751 9.9167 9.9167 10.6214 10.6214 10.8118 10.8118 10.9507 10.9507 12.6669 12.6669 13.6125 13.6125 14.0709 14.0709 k = 0.0453 0.7094 0.6366 ( 3142 PWs) bands (ev): -31.1058 -31.1058 -31.0994 -31.0994 -12.1885 -12.1885 -12.1691 -12.1691 -10.8190 -10.8190 -10.8114 -10.8114 -10.7249 -10.7249 -10.6771 -10.6771 -0.5829 -0.5829 1.0298 1.0298 1.6918 1.6918 4.8811 4.8811 6.7370 6.7370 7.2560 7.2560 7.3311 7.3311 9.6661 9.6661 10.0510 10.0510 10.6188 10.6188 10.7811 10.7811 10.8657 10.8657 12.6219 12.6219 13.6869 13.6869 14.0402 14.0402 k = 0.0227 0.7050 0.6414 ( 3141 PWs) bands (ev): -31.1059 -31.1059 -31.0994 -31.0994 -12.1886 -12.1886 -12.1691 -12.1691 -10.8188 -10.8188 -10.8116 -10.8116 -10.7249 -10.7249 -10.6770 -10.6770 -0.5839 -0.5839 1.0410 1.0410 1.6820 1.6820 4.8706 4.8706 6.8040 6.8040 7.2249 7.2249 7.2912 7.2912 9.6606 9.6606 10.1679 10.1679 10.6081 10.6081 10.6784 10.6784 10.8727 10.8727 12.5942 12.5942 13.7425 13.7425 14.0113 14.0113 k = 0.0000 0.7007 0.6461 ( 3130 PWs) bands (ev): -31.1058 -31.1058 -31.0994 -31.0994 -12.1886 -12.1886 -12.1691 -12.1691 -10.8188 -10.8188 -10.8117 -10.8117 -10.7249 -10.7249 -10.6770 -10.6770 -0.5843 -0.5843 1.0448 1.0448 1.6786 1.6786 4.8671 4.8671 6.8320 6.8320 7.2020 7.2020 7.2849 7.2849 9.6587 9.6587 10.2232 10.2232 10.5839 10.5839 10.6462 10.6462 10.8775 10.8775 12.5848 12.5848 13.7647 13.7647 13.9981 13.9981 k = 0.0000 0.7007 0.6461 ( 3130 PWs) bands (ev): -31.1058 -31.1058 -31.0994 -31.0994 -12.1886 -12.1886 -12.1691 -12.1691 -10.8188 -10.8188 -10.8117 -10.8117 -10.7249 -10.7249 -10.6770 -10.6770 -0.5843 -0.5843 1.0448 1.0448 1.6786 1.6786 4.8671 4.8671 6.8320 6.8320 7.2020 7.2020 7.2849 7.2849 9.6587 9.6587 10.2232 10.2232 10.5839 10.5839 10.6462 10.6462 10.8775 10.8775 12.5848 12.5848 13.7647 13.7647 13.9981 13.9981 k = 0.0064 0.6854 0.6627 ( 3132 PWs) bands (ev): -31.1058 -31.1058 -31.0994 -31.0994 -12.1886 -12.1886 -12.1691 -12.1691 -10.8188 -10.8188 -10.8117 -10.8117 -10.7250 -10.7250 -10.6771 -10.6771 -0.5833 -0.5833 1.0448 1.0448 1.6792 1.6792 4.8659 4.8659 6.8304 6.8304 7.2016 7.2016 7.2816 7.2816 9.6544 9.6544 10.2214 10.2214 10.5587 10.5587 10.6463 10.6463 10.9116 10.9116 12.5877 12.5877 13.7698 13.7698 13.9953 13.9953 k = 0.0128 0.6701 0.6792 ( 3134 PWs) bands (ev): -31.1058 -31.1058 -31.0994 -31.0994 -12.1887 -12.1887 -12.1692 -12.1692 -10.8187 -10.8187 -10.8116 -10.8116 -10.7253 -10.7253 -10.6774 -10.6774 -0.5805 -0.5805 1.0448 1.0448 1.6810 1.6810 4.8624 4.8624 6.8257 6.8257 7.2002 7.2002 7.2725 7.2725 9.6416 9.6416 10.2160 10.2160 10.4962 10.4962 10.6571 10.6571 10.9904 10.9904 12.5966 12.5966 13.7846 13.7846 13.9874 13.9874 k = 0.0192 0.6548 0.6958 ( 3136 PWs) bands (ev): -31.1057 -31.1057 -31.0994 -31.0994 -12.1888 -12.1888 -12.1694 -12.1694 -10.8186 -10.8186 -10.8115 -10.8115 -10.7259 -10.7259 -10.6780 -10.6780 -0.5757 -0.5757 1.0449 1.0449 1.6841 1.6841 4.8565 4.8565 6.8174 6.8174 7.1970 7.1970 7.2594 7.2594 9.6209 9.6209 10.2064 10.2064 10.4197 10.4197 10.6787 10.6787 11.0897 11.0897 12.6117 12.6117 13.8077 13.8077 13.9753 13.9753 k = 0.0256 0.6396 0.7124 ( 3136 PWs) bands (ev): -31.1057 -31.1057 -31.0993 -31.0993 -12.1889 -12.1889 -12.1696 -12.1696 -10.8185 -10.8185 -10.8114 -10.8114 -10.7267 -10.7267 -10.6787 -10.6787 -0.5690 -0.5690 1.0450 1.0450 1.6884 1.6884 4.8479 4.8479 6.8050 6.8050 7.1902 7.1902 7.2461 7.2461 9.5931 9.5931 10.1918 10.1918 10.3401 10.3401 10.7085 10.7085 11.2011 11.2011 12.6332 12.6332 13.8360 13.8360 13.9603 13.9603 k = 0.0321 0.6243 0.7289 ( 3140 PWs) bands (ev): -31.1056 -31.1056 -31.0993 -31.0993 -12.1891 -12.1891 -12.1699 -12.1699 -10.8184 -10.8184 -10.8111 -10.8111 -10.7276 -10.7276 -10.6797 -10.6797 -0.5604 -0.5604 1.0450 1.0450 1.6940 1.6940 4.8363 4.8363 6.7877 6.7877 7.1781 7.1781 7.2363 7.2363 9.5591 9.5591 10.1701 10.1701 10.2622 10.2622 10.7446 10.7446 11.3221 11.3221 12.6613 12.6613 13.8651 13.8651 13.9438 13.9438 k = 0.0385 0.6090 0.7455 ( 3134 PWs) bands (ev): -31.1054 -31.1054 -31.0992 -31.0992 -12.1893 -12.1893 -12.1702 -12.1702 -10.8182 -10.8182 -10.8109 -10.8109 -10.7288 -10.7288 -10.6808 -10.6808 -0.5500 -0.5500 1.0450 1.0450 1.7007 1.7007 4.8215 4.8215 6.7650 6.7650 7.1621 7.1621 7.2310 7.2310 9.5201 9.5201 10.1333 10.1333 10.1951 10.1951 10.7854 10.7854 11.4517 11.4517 12.6962 12.6962 13.8870 13.8870 13.9279 13.9279 k = 0.0449 0.5937 0.7621 ( 3136 PWs) bands (ev): -31.1053 -31.1053 -31.0991 -31.0991 -12.1896 -12.1896 -12.1706 -12.1706 -10.8181 -10.8181 -10.8105 -10.8105 -10.7302 -10.7302 -10.6821 -10.6821 -0.5376 -0.5376 1.0449 1.0449 1.7086 1.7086 4.8030 4.8030 6.7368 6.7368 7.1456 7.1456 7.2285 7.2285 9.4768 9.4768 10.0708 10.0708 10.1499 10.1499 10.8295 10.8295 11.5894 11.5894 12.7377 12.7377 13.8908 13.8908 13.9149 13.9149 k = 0.0513 0.5785 0.7786 ( 3138 PWs) bands (ev): -31.1051 -31.1051 -31.0991 -31.0991 -12.1898 -12.1898 -12.1711 -12.1711 -10.8180 -10.8180 -10.8101 -10.8101 -10.7317 -10.7317 -10.6836 -10.6836 -0.5234 -0.5234 1.0446 1.0446 1.7178 1.7178 4.7804 4.7804 6.7036 6.7036 7.1315 7.1315 7.2274 7.2274 9.4303 9.4303 9.9954 9.9954 10.1141 10.1141 10.8757 10.8757 11.7347 11.7347 12.7859 12.7859 13.8739 13.8739 13.8983 13.8983 k = 0.0577 0.5632 0.7952 ( 3132 PWs) bands (ev): -31.1050 -31.1050 -31.0990 -31.0990 -12.1902 -12.1902 -12.1716 -12.1716 -10.8179 -10.8179 -10.8097 -10.8097 -10.7334 -10.7334 -10.6853 -10.6853 -0.5074 -0.5074 1.0441 1.0441 1.7281 1.7281 4.7533 4.7533 6.6666 6.6666 7.1209 7.1209 7.2267 7.2267 9.3812 9.3812 9.9173 9.9173 10.0780 10.0780 10.9230 10.9230 11.8871 11.8871 12.8402 12.8402 13.8303 13.8303 13.8812 13.8812 k = 0.0641 0.5479 0.8118 ( 3130 PWs) bands (ev): -31.1048 -31.1048 -31.0989 -31.0989 -12.1905 -12.1905 -12.1722 -12.1722 -10.8179 -10.8179 -10.8091 -10.8091 -10.7352 -10.7352 -10.6871 -10.6871 -0.4896 -0.4896 1.0433 1.0433 1.7396 1.7396 4.7212 4.7212 6.6277 6.6277 7.1143 7.1143 7.2259 7.2259 9.3304 9.3304 9.8391 9.8391 10.0396 10.0396 10.9708 10.9708 12.0460 12.0460 12.9002 12.9002 13.7595 13.7595 13.8699 13.8699 k = 0.0705 0.5326 0.8283 ( 3126 PWs) bands (ev): -31.1046 -31.1046 -31.0987 -31.0987 -12.1909 -12.1909 -12.1728 -12.1728 -10.8179 -10.8179 -10.8085 -10.8085 -10.7371 -10.7371 -10.6890 -10.6890 -0.4699 -0.4699 1.0422 1.0422 1.7523 1.7523 4.6837 4.6837 6.5886 6.5886 7.1113 7.1113 7.2247 7.2247 9.2782 9.2782 9.7617 9.7617 9.9987 9.9987 11.0187 11.0187 12.2106 12.2106 12.9651 12.9651 13.6726 13.6726 13.8630 13.8630 k = 0.0769 0.5174 0.8449 ( 3130 PWs) bands (ev): -31.1043 -31.1043 -31.0986 -31.0986 -12.1913 -12.1913 -12.1735 -12.1735 -10.8181 -10.8181 -10.8079 -10.8079 -10.7391 -10.7391 -10.6910 -10.6910 -0.4485 -0.4485 1.0406 1.0406 1.7662 1.7662 4.6407 4.6407 6.5512 6.5512 7.1116 7.1116 7.2229 7.2229 9.2253 9.2253 9.6854 9.6854 9.9555 9.9555 11.0661 11.0661 12.3801 12.3801 13.0333 13.0333 13.5788 13.5788 13.8602 13.8602 k = 0.0833 0.5021 0.8615 ( 3122 PWs) bands (ev): -31.1041 -31.1041 -31.0985 -31.0985 -12.1917 -12.1917 -12.1742 -12.1742 -10.8182 -10.8182 -10.8072 -10.8072 -10.7412 -10.7412 -10.6930 -10.6930 -0.4254 -0.4254 1.0386 1.0386 1.7812 1.7812 4.5919 4.5919 6.5168 6.5168 7.1148 7.1148 7.2203 7.2203 9.1720 9.1720 9.6105 9.6105 9.9105 9.9105 11.1130 11.1130 12.5535 12.5535 13.1018 13.1018 13.4861 13.4861 13.8618 13.8618 k = 0.0897 0.4868 0.8780 ( 3118 PWs) bands (ev): -31.1038 -31.1038 -31.0984 -31.0984 -12.1922 -12.1922 -12.1750 -12.1750 -10.8185 -10.8185 -10.8066 -10.8066 -10.7432 -10.7432 -10.6952 -10.6952 -0.4006 -0.4006 1.0359 1.0359 1.7974 1.7974 4.5374 4.5374 6.4866 6.4866 7.1205 7.1205 7.2166 7.2166 9.1186 9.1186 9.5372 9.5372 9.8639 9.8639 11.1592 11.1592 12.7299 12.7299 13.1602 13.1602 13.4076 13.4076 13.8678 13.8678 k = 0.0962 0.4715 0.8946 ( 3120 PWs) bands (ev): -31.1036 -31.1036 -31.0983 -31.0983 -12.1926 -12.1926 -12.1759 -12.1759 -10.8188 -10.8188 -10.8059 -10.8059 -10.7453 -10.7453 -10.6974 -10.6974 -0.3741 -0.3741 1.0326 1.0326 1.8147 1.8147 4.4773 4.4773 6.4613 6.4613 7.1285 7.1285 7.2118 7.2118 9.0653 9.0653 9.4656 9.4656 9.8163 9.8163 11.2048 11.2048 12.9080 12.9080 13.1727 13.1727 13.3808 13.3808 13.8785 13.8785 k = 0.1026 0.4563 0.9112 ( 3124 PWs) bands (ev): -31.1033 -31.1033 -31.0981 -31.0981 -12.1931 -12.1931 -12.1767 -12.1767 -10.8193 -10.8193 -10.8053 -10.8053 -10.7473 -10.7473 -10.6996 -10.6996 -0.3460 -0.3460 1.0286 1.0286 1.8331 1.8331 4.4119 4.4119 6.4413 6.4413 7.1384 7.1384 7.2058 7.2058 9.0124 9.0124 9.3961 9.3961 9.7677 9.7677 11.2497 11.2497 13.0836 13.0836 13.1218 13.1218 13.4277 13.4277 13.8940 13.8940 k = 0.1090 0.4410 0.9277 ( 3128 PWs) bands (ev): -31.1030 -31.1030 -31.0980 -31.0980 -12.1936 -12.1936 -12.1777 -12.1777 -10.8197 -10.8197 -10.8048 -10.8048 -10.7492 -10.7492 -10.7018 -10.7018 -0.3163 -0.3163 1.0237 1.0237 1.8528 1.8528 4.3418 4.3418 6.4268 6.4268 7.1501 7.1501 7.1988 7.1988 8.9599 8.9599 9.3287 9.3287 9.7185 9.7185 11.2941 11.2941 13.0389 13.0389 13.2666 13.2666 13.5064 13.5064 13.9143 13.9143 k = 0.1154 0.4257 0.9443 ( 3128 PWs) bands (ev): -31.1027 -31.1027 -31.0979 -31.0979 -12.1941 -12.1941 -12.1786 -12.1786 -10.8203 -10.8203 -10.8043 -10.8043 -10.7510 -10.7510 -10.7040 -10.7040 -0.2851 -0.2851 1.0178 1.0178 1.8735 1.8735 4.2674 4.2674 6.4177 6.4177 7.1627 7.1627 7.1912 7.1912 8.9079 8.9079 9.2636 9.2636 9.6689 9.6689 11.3379 11.3379 12.9578 12.9578 13.4426 13.4426 13.5964 13.5964 13.9394 13.9394 k = 0.1218 0.4104 0.9609 ( 3132 PWs) bands (ev): -31.1025 -31.1025 -31.0978 -31.0978 -12.1946 -12.1946 -12.1796 -12.1796 -10.8210 -10.8210 -10.8040 -10.8040 -10.7526 -10.7526 -10.7062 -10.7062 -0.2525 -0.2525 1.0109 1.0109 1.8955 1.8955 4.1895 4.1895 6.4137 6.4137 7.1707 7.1707 7.1888 7.1888 8.8565 8.8565 9.2010 9.2010 9.6188 9.6188 11.3814 11.3814 12.8793 12.8793 13.6142 13.6142 13.6936 13.6936 13.9694 13.9694 k = 0.1282 0.3952 0.9774 ( 3134 PWs) bands (ev): -31.1022 -31.1022 -31.0977 -31.0977 -12.1950 -12.1950 -12.1806 -12.1806 -10.8217 -10.8217 -10.8038 -10.8038 -10.7541 -10.7541 -10.7083 -10.7083 -0.2185 -0.2185 1.0029 1.0029 1.9186 1.9186 4.1086 4.1086 6.4145 6.4145 7.1639 7.1639 7.2016 7.2016 8.8057 8.8057 9.1411 9.1411 9.5684 9.5684 11.4246 11.4246 12.8057 12.8057 13.7678 13.7678 13.8080 13.8080 14.0042 14.0042 k = 0.1346 0.3799 0.9940 ( 3138 PWs) bands (ev): -31.1019 -31.1019 -31.0976 -31.0976 -12.1955 -12.1955 -12.1816 -12.1816 -10.8225 -10.8225 -10.8037 -10.8037 -10.7553 -10.7553 -10.7104 -10.7104 -0.1831 -0.1831 0.9937 0.9937 1.9429 1.9429 4.0255 4.0255 6.4196 6.4196 7.1518 7.1518 7.2201 7.2201 8.7555 8.7555 9.0840 9.0840 9.5176 9.5176 11.4676 11.4676 12.7378 12.7378 13.8812 13.8812 13.9591 13.9591 14.0438 14.0438 k = 0.1410 0.3646 1.0106 ( 3128 PWs) bands (ev): -31.1016 -31.1016 -31.0974 -31.0974 -12.1960 -12.1960 -12.1827 -12.1827 -10.8233 -10.8233 -10.8039 -10.8039 -10.7562 -10.7562 -10.7124 -10.7124 -0.1466 -0.1466 0.9832 0.9832 1.9684 1.9684 3.9407 3.9407 6.4285 6.4285 7.1378 7.1378 7.2413 7.2413 8.7060 8.7060 9.0299 9.0299 9.4664 9.4664 11.5106 11.5106 12.6762 12.6762 13.9859 13.9859 14.0856 14.0856 14.1160 14.1160 k = 0.1474 0.3493 1.0271 ( 3124 PWs) bands (ev): -31.1012 -31.1012 -31.0973 -31.0973 -12.1964 -12.1964 -12.1837 -12.1837 -10.8242 -10.8242 -10.8042 -10.8042 -10.7570 -10.7570 -10.7143 -10.7143 -0.1088 -0.1088 0.9714 0.9714 1.9953 1.9953 3.8549 3.8549 6.4407 6.4407 7.1225 7.1225 7.2646 7.2646 8.6571 8.6571 8.9789 8.9789 9.4148 9.4148 11.5536 11.5536 12.6210 12.6210 14.0903 14.0903 14.1351 14.1351 14.2626 14.2626 k = 0.1538 0.3340 1.0437 ( 3122 PWs) bands (ev): -31.1009 -31.1009 -31.0972 -31.0972 -12.1969 -12.1969 -12.1848 -12.1848 -10.8252 -10.8252 -10.8047 -10.8047 -10.7574 -10.7574 -10.7161 -10.7161 -0.0700 -0.0700 0.9580 0.9580 2.0233 2.0233 3.7686 3.7686 6.4558 6.4558 7.1060 7.1060 7.2900 7.2900 8.6088 8.6088 8.9313 8.9313 9.3627 9.3627 11.5966 11.5966 12.5723 12.5723 14.1849 14.1849 14.1981 14.1981 14.4010 14.4010 k = 0.1603 0.3188 1.0603 ( 3118 PWs) bands (ev): -31.1006 -31.1006 -31.0972 -31.0972 -12.1972 -12.1972 -12.1858 -12.1858 -10.8262 -10.8262 -10.8053 -10.8053 -10.7577 -10.7577 -10.7179 -10.7179 -0.0302 -0.0302 0.9431 0.9431 2.0528 2.0528 3.6824 3.6824 6.4733 6.4733 7.0885 7.0885 7.3176 7.3176 8.5611 8.5611 8.8870 8.8870 9.3102 9.3102 11.6398 11.6398 12.5298 12.5298 14.2427 14.2427 14.3018 14.3018 14.5290 14.5290 k = 0.1667 0.3035 1.0768 ( 3122 PWs) bands (ev): -31.1003 -31.1003 -31.0971 -31.0971 -12.1976 -12.1976 -12.1869 -12.1869 -10.8272 -10.8272 -10.8061 -10.8061 -10.7577 -10.7577 -10.7196 -10.7196 0.0104 0.0104 0.9266 0.9266 2.0836 2.0836 3.5966 3.5966 6.4927 6.4927 7.0701 7.0701 7.3473 7.3473 8.5140 8.5140 8.8463 8.8463 9.2575 9.2575 11.6831 11.6831 12.4932 12.4932 14.3026 14.3026 14.4065 14.4065 14.6455 14.6455 k = 0.1731 0.2882 1.0934 ( 3120 PWs) bands (ev): -31.1000 -31.1000 -31.0970 -31.0970 -12.1979 -12.1979 -12.1879 -12.1879 -10.8282 -10.8282 -10.8070 -10.8070 -10.7575 -10.7575 -10.7212 -10.7212 0.0518 0.0518 0.9085 0.9085 2.1159 2.1159 3.5116 3.5116 6.5137 6.5137 7.0510 7.0510 7.3792 7.3792 8.4673 8.4673 8.8094 8.8094 9.2047 9.2047 11.7265 11.7265 12.4619 12.4619 14.3656 14.3656 14.5098 14.5098 14.7498 14.7498 k = 0.1795 0.2729 1.1100 ( 3124 PWs) bands (ev): -31.0997 -31.0997 -31.0970 -31.0970 -12.1982 -12.1982 -12.1889 -12.1889 -10.8291 -10.8291 -10.8079 -10.8079 -10.7571 -10.7571 -10.7227 -10.7227 0.0938 0.0938 0.8886 0.8886 2.1497 2.1497 3.4279 3.4279 6.5358 6.5358 7.0313 7.0313 7.4133 7.4133 8.4210 8.4210 8.7763 8.7763 9.1519 9.1519 11.7700 11.7700 12.4353 12.4353 14.4315 14.4315 14.6100 14.6100 14.8416 14.8416 k = 0.1859 0.2577 1.1265 ( 3122 PWs) bands (ev): -31.0995 -31.0995 -31.0970 -31.0970 -12.1984 -12.1984 -12.1899 -12.1899 -10.8301 -10.8301 -10.8089 -10.8089 -10.7566 -10.7566 -10.7241 -10.7241 0.1363 0.1363 0.8670 0.8670 2.1851 2.1851 3.3457 3.3457 6.5588 6.5588 7.0111 7.0111 7.4496 7.4496 8.3750 8.3750 8.7472 8.7472 9.0997 9.0997 11.8135 11.8135 12.4125 12.4125 14.5000 14.5000 14.7042 14.7042 14.9203 14.9203 k = 0.1923 0.2424 1.1431 ( 3122 PWs) bands (ev): -31.0992 -31.0992 -31.0969 -31.0969 -12.1986 -12.1986 -12.1909 -12.1909 -10.8310 -10.8310 -10.8099 -10.8099 -10.7560 -10.7560 -10.7254 -10.7254 0.1792 0.1792 0.8436 0.8436 2.2221 2.2221 3.2652 3.2652 6.5823 6.5823 6.9905 6.9905 7.4881 7.4881 8.3292 8.3292 8.7222 8.7222 9.0483 9.0483 11.8569 11.8569 12.3927 12.3927 14.5705 14.5705 14.7873 14.7873 14.9857 14.9857 k = 0.1987 0.2271 1.1597 ( 3124 PWs) bands (ev): -31.0990 -31.0990 -31.0969 -31.0969 -12.1987 -12.1987 -12.1918 -12.1918 -10.8319 -10.8319 -10.8109 -10.8109 -10.7554 -10.7554 -10.7266 -10.7266 0.2223 0.2223 0.8184 0.8184 2.2609 2.2609 3.1868 3.1868 6.6062 6.6062 6.9695 6.9695 7.5286 7.5286 8.2834 8.2834 8.7014 8.7014 8.9982 8.9982 11.9000 11.9000 12.3749 12.3749 14.6425 14.6425 14.8509 14.8509 15.0379 15.0379 k = 0.2051 0.2118 1.1762 ( 3122 PWs) bands (ev): -31.0987 -31.0987 -31.0969 -31.0969 -12.1988 -12.1988 -12.1927 -12.1927 -10.8327 -10.8327 -10.8118 -10.8118 -10.7547 -10.7547 -10.7278 -10.7278 0.2655 0.2655 0.7914 0.7914 2.3016 2.3016 3.1105 3.1105 6.6302 6.6302 6.9483 6.9483 7.5710 7.5710 8.2375 8.2375 8.6850 8.6850 8.9500 8.9500 11.9426 11.9426 12.3581 12.3581 14.7153 14.7153 14.8892 14.8892 15.0807 15.0807 k = 0.2115 0.1966 1.1928 ( 3122 PWs) bands (ev): -31.0985 -31.0985 -31.0969 -31.0969 -12.1988 -12.1988 -12.1935 -12.1935 -10.8334 -10.8334 -10.8126 -10.8126 -10.7540 -10.7540 -10.7288 -10.7288 0.3085 0.3085 0.7627 0.7627 2.3442 2.3442 3.0366 3.0366 6.6542 6.6542 6.9269 6.9269 7.6152 7.6152 8.1914 8.1914 8.6730 8.6730 8.9041 8.9041 11.9845 11.9845 12.3415 12.3415 14.7879 14.7879 14.9093 14.9093 15.1174 15.1174 k = 0.2179 0.1813 1.2094 ( 3126 PWs) bands (ev): -31.0983 -31.0983 -31.0970 -31.0970 -12.1988 -12.1988 -12.1943 -12.1943 -10.8340 -10.8340 -10.8134 -10.8134 -10.7533 -10.7533 -10.7297 -10.7297 0.3514 0.3514 0.7322 0.7322 2.3888 2.3888 2.9651 2.9651 6.6781 6.6781 6.9053 6.9053 7.6609 7.6609 8.1448 8.1448 8.6656 8.6656 8.8612 8.8612 12.0253 12.0253 12.3242 12.3242 14.8583 14.8583 14.9248 14.9248 15.1474 15.1474 k = 0.2244 0.1660 1.2259 ( 3124 PWs) bands (ev): -31.0980 -31.0980 -31.0971 -31.0971 -12.1986 -12.1986 -12.1950 -12.1950 -10.8345 -10.8345 -10.8140 -10.8140 -10.7527 -10.7527 -10.7304 -10.7304 0.3938 0.3938 0.7001 0.7001 2.4355 2.4355 2.8962 2.8962 6.7017 6.7017 6.8836 6.8836 7.7079 7.7079 8.0977 8.0977 8.6629 8.6629 8.8219 8.8219 12.0648 12.0648 12.3055 12.3055 14.9177 14.9177 14.9514 14.9514 15.1699 15.1699 k = 0.2308 0.1507 1.2425 ( 3126 PWs) bands (ev): -31.0979 -31.0979 -31.0971 -31.0971 -12.1984 -12.1984 -12.1957 -12.1957 -10.8350 -10.8350 -10.8145 -10.8145 -10.7522 -10.7522 -10.7311 -10.7311 0.4356 0.4356 0.6663 0.6663 2.4844 2.4844 2.8298 2.8298 6.7251 6.7251 6.8618 6.8618 7.7559 7.7559 8.0501 8.0501 8.6648 8.6648 8.7866 8.7866 12.1025 12.1025 12.2849 12.2849 14.9512 14.9512 15.0053 15.0053 15.1795 15.1795 k = 0.2372 0.1355 1.2591 ( 3116 PWs) bands (ev): -31.0977 -31.0977 -31.0972 -31.0972 -12.1982 -12.1982 -12.1963 -12.1963 -10.8353 -10.8353 -10.8149 -10.8149 -10.7518 -10.7518 -10.7315 -10.7315 0.4767 0.4767 0.6311 0.6311 2.5356 2.5356 2.7660 2.7660 6.7481 6.7481 6.8399 6.8399 7.8045 7.8045 8.0019 8.0019 8.6711 8.6711 8.7560 8.7560 12.1381 12.1381 12.2621 12.2621 14.9814 14.9814 15.0593 15.0593 15.1670 15.1670 k = 0.2436 0.1202 1.2756 ( 3116 PWs) bands (ev): -31.0975 -31.0975 -31.0973 -31.0973 -12.1979 -12.1979 -12.1967 -12.1967 -10.8354 -10.8354 -10.8151 -10.8151 -10.7515 -10.7515 -10.7318 -10.7318 0.5168 0.5168 0.5944 0.5944 2.5890 2.5890 2.7051 2.7051 6.7704 6.7704 6.8183 6.8183 7.8532 7.8532 7.9536 7.9536 8.6809 8.6809 8.7315 8.7315 12.1702 12.1702 12.2379 12.2379 15.0164 15.0164 15.0817 15.0817 15.1598 15.1598 k = 0.2500 0.1049 1.2922 ( 3104 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8355 -10.8355 -10.8152 -10.8152 -10.7514 -10.7514 -10.7319 -10.7319 0.5525 0.5525 0.5599 0.5599 2.6373 2.6373 2.6543 2.6543 6.7866 6.7866 6.8023 6.8023 7.8938 7.8938 7.9131 7.9131 8.6879 8.6879 8.7196 8.7196 12.1899 12.1899 12.2208 12.2208 15.0508 15.0508 15.0581 15.0581 15.1866 15.1872 k = 0.2500 0.1049 1.2922 ( 3104 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8355 -10.8355 -10.8152 -10.8152 -10.7514 -10.7514 -10.7319 -10.7319 0.5525 0.5525 0.5599 0.5599 2.6373 2.6373 2.6543 2.6543 6.7866 6.7866 6.8023 6.8023 7.8938 7.8938 7.9131 7.9131 8.6879 8.6879 8.7196 8.7196 12.1899 12.1899 12.2208 12.2208 15.0508 15.0508 15.0581 15.0581 15.1866 15.1870 k = 0.2692 0.1130 1.2834 ( 3110 PWs) bands (ev): -31.0974 -31.0974 -31.0973 -31.0973 -12.1978 -12.1978 -12.1969 -12.1969 -10.8354 -10.8354 -10.8153 -10.8153 -10.7514 -10.7514 -10.7319 -10.7319 0.5421 0.5421 0.5702 0.5702 2.6242 2.6242 2.6678 2.6678 6.7831 6.7831 6.8056 6.8056 7.8842 7.8842 7.9244 7.9244 8.6858 8.6858 8.7202 8.7202 12.1885 12.1885 12.2250 12.2250 15.0408 15.0408 15.0650 15.0650 15.1721 15.1722 k = 0.2885 0.1210 1.2747 ( 3112 PWs) bands (ev): -31.0975 -31.0975 -31.0973 -31.0973 -12.1978 -12.1978 -12.1968 -12.1968 -10.8352 -10.8352 -10.8155 -10.8155 -10.7511 -10.7511 -10.7321 -10.7321 0.5303 0.5303 0.5812 0.5812 2.6083 2.6083 2.6849 2.6849 6.7768 6.7768 6.8111 6.8111 7.8719 7.8719 7.9413 7.9413 8.6808 8.6808 8.7210 8.7210 12.1883 12.1883 12.2336 12.2336 15.0292 15.0292 15.0686 15.0686 15.1504 15.1504 k = 0.3077 0.1291 1.2659 ( 3114 PWs) bands (ev): -31.0975 -31.0975 -31.0973 -31.0973 -12.1979 -12.1979 -12.1967 -12.1967 -10.8349 -10.8349 -10.8159 -10.8159 -10.7507 -10.7507 -10.7323 -10.7323 0.5201 0.5201 0.5900 0.5900 2.5955 2.5955 2.7000 2.7000 6.7706 6.7706 6.8163 6.8163 7.8622 7.8622 7.9583 7.9583 8.6741 8.6741 8.7208 8.7208 12.1917 12.1917 12.2436 12.2436 15.0177 15.0177 15.0659 15.0659 15.1242 15.1242 k = 0.3269 0.1372 1.2572 ( 3112 PWs) bands (ev): -31.0975 -31.0975 -31.0973 -31.0973 -12.1979 -12.1979 -12.1966 -12.1966 -10.8344 -10.8344 -10.8165 -10.8165 -10.7501 -10.7501 -10.7327 -10.7327 0.5117 0.5117 0.5962 0.5962 2.5863 2.5863 2.7125 2.7125 6.7653 6.7653 6.8204 6.8204 7.8559 7.8559 7.9740 7.9740 8.6668 8.6668 8.7193 8.7193 12.1987 12.1987 12.2541 12.2541 15.0046 15.0046 15.0511 15.0511 15.1024 15.1024 k = 0.3462 0.1453 1.2484 ( 3111 PWs) bands (ev): -31.0976 -31.0976 -31.0972 -31.0972 -12.1980 -12.1980 -12.1965 -12.1965 -10.8338 -10.8338 -10.8172 -10.8172 -10.7493 -10.7493 -10.7331 -10.7331 0.5050 0.5050 0.5996 0.5996 2.5811 2.5811 2.7223 2.7223 6.7611 6.7611 6.8233 6.8233 7.8530 7.8530 7.9878 7.9878 8.6596 8.6596 8.7165 8.7165 12.2088 12.2088 12.2646 12.2646 14.9867 14.9867 15.0196 15.0196 15.0929 15.0929 k = 0.3654 0.1533 1.2397 ( 3111 PWs) bands (ev): -31.0976 -31.0976 -31.0973 -31.0973 -12.1980 -12.1980 -12.1964 -12.1964 -10.8331 -10.8331 -10.8180 -10.8180 -10.7485 -10.7485 -10.7337 -10.7337 0.5001 0.5001 0.6001 0.6001 2.5801 2.5801 2.7292 2.7292 6.7583 6.7583 6.8247 6.8247 7.8536 7.8536 7.9989 7.9989 8.6531 8.6531 8.7127 8.7127 12.2211 12.2211 12.2746 12.2746 14.9604 14.9604 14.9810 14.9810 15.0894 15.0894 k = 0.3846 0.1614 1.2309 ( 3115 PWs) bands (ev): -31.0976 -31.0976 -31.0973 -31.0973 -12.1979 -12.1979 -12.1963 -12.1963 -10.8323 -10.8323 -10.8189 -10.8189 -10.7475 -10.7475 -10.7343 -10.7343 0.4972 0.4972 0.5976 0.5976 2.5834 2.5834 2.7332 2.7332 6.7570 6.7570 6.8245 6.8245 7.8576 7.8576 8.0065 8.0065 8.6482 8.6482 8.7082 8.7082 12.2346 12.2346 12.2837 12.2837 14.9252 14.9252 14.9427 14.9427 15.0856 15.0856 k = 0.4038 0.1695 1.2222 ( 3121 PWs) bands (ev): -31.0977 -31.0977 -31.0973 -31.0973 -12.1979 -12.1979 -12.1962 -12.1962 -10.8314 -10.8314 -10.8198 -10.8198 -10.7464 -10.7464 -10.7351 -10.7351 0.4961 0.4961 0.5920 0.5920 2.5911 2.5911 2.7342 2.7342 6.7575 6.7575 6.8228 6.8228 7.8648 7.8648 8.0099 8.0099 8.6455 8.6455 8.7035 8.7035 12.2482 12.2482 12.2913 12.2913 14.8867 14.8867 14.9056 14.9056 15.0829 15.0829 k = 0.4231 0.1775 1.2134 ( 3123 PWs) bands (ev): -31.0977 -31.0977 -31.0974 -31.0974 -12.1978 -12.1978 -12.1961 -12.1961 -10.8304 -10.8304 -10.8207 -10.8207 -10.7453 -10.7453 -10.7359 -10.7359 0.4970 0.4970 0.5834 0.5834 2.6031 2.6031 2.7321 2.7321 6.7598 6.7598 6.8194 6.8194 7.8751 7.8751 8.0083 8.0083 8.6457 8.6457 8.6990 8.6990 12.2609 12.2609 12.2970 12.2970 14.8505 14.8505 14.8702 14.8702 15.0833 15.0833 k = 0.4423 0.1856 1.2047 ( 3122 PWs) bands (ev): -31.0977 -31.0977 -31.0974 -31.0974 -12.1978 -12.1978 -12.1960 -12.1960 -10.8294 -10.8294 -10.8216 -10.8216 -10.7441 -10.7441 -10.7368 -10.7368 0.4999 0.4999 0.5718 0.5718 2.6194 2.6194 2.7270 2.7270 6.7641 6.7641 6.8143 6.8143 7.8880 7.8880 8.0015 8.0015 8.6494 8.6494 8.6951 8.6951 12.2719 12.2719 12.3001 12.3001 14.8192 14.8192 14.8383 14.8383 15.0856 15.0856 k = 0.4615 0.1937 1.1959 ( 3124 PWs) bands (ev): -31.0976 -31.0976 -31.0975 -31.0975 -12.1977 -12.1977 -12.1959 -12.1959 -10.8284 -10.8284 -10.8224 -10.8224 -10.7429 -10.7429 -10.7378 -10.7378 0.5048 0.5048 0.5574 0.5574 2.6398 2.6398 2.7189 2.7189 6.7703 6.7703 6.8075 6.8075 7.9031 7.9031 7.9894 7.9894 8.6566 8.6566 8.6926 8.6926 12.2804 12.2804 12.3001 12.3001 14.7939 14.7939 14.8116 14.8116 15.0890 15.0890 k = 0.4808 0.2017 1.1872 ( 3126 PWs) bands (ev): -31.0976 -31.0976 -31.0975 -31.0975 -12.1977 -12.1977 -12.1957 -12.1957 -10.8276 -10.8276 -10.8229 -10.8229 -10.7417 -10.7417 -10.7388 -10.7388 0.5117 0.5117 0.5403 0.5403 2.6641 2.6641 2.7079 2.7079 6.7785 6.7785 6.7992 6.7992 7.9187 7.9187 7.9734 7.9734 8.6668 8.6668 8.6925 8.6925 12.2859 12.2859 12.2964 12.2964 14.7752 14.7752 14.7916 14.7916 15.0925 15.0925 k = 0.5000 0.2098 1.1784 ( 3124 PWs) bands (ev): -31.0976 -31.0976 -31.0976 -31.0976 -12.1976 -12.1976 -12.1955 -12.1955 -10.8273 -10.8273 -10.8229 -10.8229 -10.7409 -10.7409 -10.7395 -10.7395 0.5199 0.5199 0.5215 0.5215 2.6876 2.6876 2.6985 2.6985 6.7872 6.7872 6.7910 6.7910 7.9268 7.9268 7.9614 7.9614 8.6772 8.6772 8.6976 8.6976 12.2880 12.2880 12.2891 12.2891 14.7630 14.7630 14.7791 14.7791 15.0955 15.0955 k = 0.5000 0.2098 1.1784 ( 3124 PWs) bands (ev): -31.0976 -31.0976 -31.0976 -31.0976 -12.1976 -12.1976 -12.1955 -12.1955 -10.8273 -10.8273 -10.8229 -10.8229 -10.7409 -10.7409 -10.7395 -10.7395 0.5199 0.5199 0.5215 0.5215 2.6876 2.6876 2.6985 2.6985 6.7872 6.7872 6.7910 6.7910 7.9268 7.9268 7.9614 7.9614 8.6772 8.6772 8.6976 8.6976 12.2880 12.2880 12.2891 12.2891 14.7630 14.7630 14.7791 14.7791 15.0955 15.0955 k = 0.5000 0.2098 1.1549 ( 3124 PWs) bands (ev): -31.0977 -31.0977 -31.0977 -31.0977 -12.1974 -12.1974 -12.1949 -12.1949 -10.8271 -10.8271 -10.8217 -10.8217 -10.7410 -10.7410 -10.7392 -10.7392 0.5039 0.5039 0.5056 0.5056 2.7080 2.7080 2.7210 2.7210 6.7876 6.7876 6.7923 6.7923 7.9166 7.9166 7.9563 7.9563 8.7026 8.7026 8.7250 8.7250 12.2760 12.2760 12.2771 12.2771 14.7366 14.7366 14.7535 14.7535 15.1011 15.1011 k = 0.5000 0.2098 1.1313 ( 3128 PWs) bands (ev): -31.0978 -31.0978 -31.0978 -31.0978 -12.1972 -12.1972 -12.1943 -12.1943 -10.8267 -10.8267 -10.8205 -10.8205 -10.7410 -10.7410 -10.7388 -10.7388 0.4851 0.4851 0.4870 0.4870 2.7323 2.7323 2.7473 2.7473 6.7878 6.7878 6.7934 6.7934 7.9069 7.9069 7.9508 7.9508 8.7318 8.7318 8.7552 8.7552 12.2646 12.2646 12.2657 12.2657 14.7067 14.7067 14.7240 14.7240 15.1034 15.1034 k = 0.5000 0.2098 1.1077 ( 3132 PWs) bands (ev): -31.0980 -31.0980 -31.0980 -31.0980 -12.1969 -12.1969 -12.1936 -12.1936 -10.8263 -10.8263 -10.8191 -10.8191 -10.7410 -10.7410 -10.7385 -10.7385 0.4637 0.4637 0.4657 0.4657 2.7605 2.7605 2.7774 2.7774 6.7876 6.7876 6.7942 6.7942 7.8982 7.8982 7.9456 7.9456 8.7641 8.7641 8.7878 8.7878 12.2550 12.2550 12.2559 12.2559 14.6745 14.6745 14.6918 14.6918 15.0986 15.0986 k = 0.5000 0.2098 1.0842 ( 3132 PWs) bands (ev): -31.0981 -31.0981 -31.0981 -31.0981 -12.1965 -12.1965 -12.1928 -12.1928 -10.8257 -10.8257 -10.8176 -10.8176 -10.7410 -10.7410 -10.7381 -10.7381 0.4397 0.4397 0.4418 0.4418 2.7925 2.7925 2.8111 2.8111 6.7869 6.7869 6.7944 6.7944 7.8908 7.8908 7.9411 7.9411 8.7991 8.7991 8.8223 8.8223 12.2483 12.2483 12.2488 12.2488 14.6407 14.6407 14.6578 14.6578 15.0841 15.0841 k = 0.5000 0.2098 1.0606 ( 3132 PWs) bands (ev): -31.0982 -31.0982 -31.0982 -31.0982 -12.1961 -12.1961 -12.1920 -12.1920 -10.8251 -10.8251 -10.8160 -10.8160 -10.7409 -10.7409 -10.7376 -10.7376 0.4135 0.4135 0.4155 0.4155 2.8283 2.8283 2.8485 2.8485 6.7854 6.7854 6.7938 6.7938 7.8851 7.8851 7.9379 7.9379 8.8361 8.8361 8.8582 8.8582 12.2453 12.2453 12.2454 12.2454 14.6060 14.6060 14.6228 14.6228 15.0580 15.0580 k = 0.5000 0.2098 1.0370 ( 3134 PWs) bands (ev): -31.0984 -31.0984 -31.0984 -31.0984 -12.1956 -12.1956 -12.1911 -12.1911 -10.8243 -10.8243 -10.8143 -10.8143 -10.7409 -10.7409 -10.7371 -10.7371 0.3849 0.3849 0.3869 0.3869 2.8676 2.8676 2.8893 2.8893 6.7829 6.7829 6.7924 6.7924 7.8814 7.8814 7.9362 7.9362 8.8747 8.8747 8.8952 8.8952 12.2466 12.2466 12.2471 12.2471 14.5707 14.5707 14.5871 14.5871 15.0192 15.0192 k = 0.5000 0.2098 1.0135 ( 3128 PWs) bands (ev): -31.0986 -31.0986 -31.0986 -31.0986 -12.1950 -12.1950 -12.1902 -12.1902 -10.8234 -10.8234 -10.8124 -10.8124 -10.7408 -10.7408 -10.7366 -10.7366 0.3543 0.3543 0.3561 0.3561 2.9105 2.9105 2.9336 2.9336 6.7794 6.7794 6.7898 6.7898 7.8800 7.8800 7.9364 7.9364 8.9146 8.9146 8.9331 8.9331 12.2531 12.2531 12.2544 12.2544 14.5351 14.5351 14.5512 14.5512 14.9674 14.9674 k = 0.5000 0.2098 0.9899 ( 3126 PWs) bands (ev): -31.0988 -31.0988 -31.0988 -31.0988 -12.1943 -12.1943 -12.1892 -12.1892 -10.8224 -10.8224 -10.8104 -10.8104 -10.7407 -10.7407 -10.7360 -10.7360 0.3217 0.3217 0.3233 0.3233 2.9569 2.9569 2.9812 2.9812 6.7746 6.7746 6.7860 6.7860 7.8810 7.8810 7.9388 7.9388 8.9555 8.9555 8.9716 8.9716 12.2657 12.2657 12.2679 12.2679 14.4993 14.4993 14.5151 14.5151 14.9033 14.9033 k = 0.5000 0.2098 0.9663 ( 3136 PWs) bands (ev): -31.0990 -31.0990 -31.0990 -31.0990 -12.1936 -12.1936 -12.1882 -12.1882 -10.8213 -10.8213 -10.8083 -10.8083 -10.7406 -10.7406 -10.7354 -10.7354 0.2873 0.2873 0.2887 0.2887 3.0065 3.0065 3.0320 3.0320 6.7684 6.7684 6.7809 6.7809 7.8847 7.8847 7.9436 7.9436 8.9970 8.9970 9.0106 9.0106 12.2848 12.2848 12.2880 12.2880 14.4634 14.4634 14.4787 14.4787 14.8283 14.8283 k = 0.5000 0.2098 0.9427 ( 3134 PWs) bands (ev): -31.0992 -31.0992 -31.0992 -31.0992 -12.1928 -12.1928 -12.1871 -12.1871 -10.8200 -10.8200 -10.8061 -10.8061 -10.7405 -10.7405 -10.7347 -10.7347 0.2513 0.2513 0.2525 0.2525 3.0593 3.0593 3.0859 3.0859 6.7609 6.7609 6.7743 6.7743 7.8911 7.8911 7.9510 7.9510 9.0390 9.0390 9.0499 9.0499 12.3108 12.3108 12.3152 12.3152 14.4273 14.4273 14.4419 14.4419 14.7448 14.7448 k = 0.5000 0.2098 0.9192 ( 3142 PWs) bands (ev): -31.0995 -31.0995 -31.0995 -31.0995 -12.1920 -12.1920 -12.1859 -12.1859 -10.8187 -10.8187 -10.8038 -10.8038 -10.7404 -10.7404 -10.7340 -10.7340 0.2137 0.2137 0.2146 0.2146 3.1152 3.1152 3.1428 3.1428 6.7519 6.7519 6.7662 6.7662 7.9003 7.9003 7.9610 7.9610 9.0814 9.0814 9.0895 9.0895 12.3440 12.3440 12.3496 12.3496 14.3907 14.3907 14.4041 14.4041 14.6550 14.6550 k = 0.5000 0.2098 0.8956 ( 3146 PWs) bands (ev): -31.0997 -31.0997 -31.0997 -31.0997 -12.1911 -12.1911 -12.1847 -12.1847 -10.8173 -10.8173 -10.8014 -10.8014 -10.7402 -10.7402 -10.7332 -10.7332 0.1748 0.1748 0.1755 0.1755 3.1740 3.1740 3.2026 3.2026 6.7415 6.7415 6.7566 6.7566 7.9122 7.9122 7.9736 7.9736 9.1242 9.1242 9.1294 9.1294 12.3844 12.3844 12.3912 12.3912 14.3534 14.3534 14.3645 14.3645 14.5615 14.5615 k = 0.5000 0.2098 0.8720 ( 3142 PWs) bands (ev): -31.1000 -31.1000 -31.1000 -31.1000 -12.1901 -12.1901 -12.1835 -12.1835 -10.8159 -10.8159 -10.7989 -10.7989 -10.7400 -10.7400 -10.7323 -10.7323 0.1347 0.1347 0.1351 0.1351 3.2356 3.2356 3.2650 3.2650 6.7298 6.7298 6.7457 6.7457 7.9268 7.9268 7.9889 7.9889 9.1674 9.1674 9.1698 9.1698 12.4319 12.4319 12.4401 12.4401 14.3146 14.3146 14.3203 14.3203 14.4679 14.4679 k = 0.5000 0.2098 0.8485 ( 3146 PWs) bands (ev): -31.1002 -31.1002 -31.1002 -31.1002 -12.1891 -12.1891 -12.1823 -12.1823 -10.8143 -10.8143 -10.7963 -10.7963 -10.7398 -10.7398 -10.7314 -10.7314 0.0935 0.0935 0.0936 0.0936 3.2999 3.2999 3.3300 3.3300 6.7169 6.7169 6.7335 6.7335 7.9440 7.9440 8.0068 8.0068 9.2108 9.2108 9.2110 9.2110 12.4862 12.4862 12.4957 12.4957 14.2648 14.2648 14.2724 14.2724 14.3818 14.3818 k = 0.5000 0.2098 0.8249 ( 3144 PWs) bands (ev): -31.1005 -31.1005 -31.1005 -31.1005 -12.1880 -12.1880 -12.1810 -12.1810 -10.8127 -10.8127 -10.7936 -10.7936 -10.7396 -10.7396 -10.7305 -10.7305 0.0512 0.0512 0.0514 0.0514 3.3665 3.3665 3.3973 3.3973 6.7030 6.7030 6.7203 6.7203 7.9636 7.9636 8.0270 8.0270 9.2524 9.2524 9.2551 9.2551 12.5467 12.5467 12.5576 12.5576 14.1880 14.1880 14.2213 14.2213 14.3138 14.3138 k = 0.5000 0.2098 0.8013 ( 3148 PWs) bands (ev): -31.1008 -31.1008 -31.1008 -31.1008 -12.1868 -12.1868 -12.1796 -12.1796 -10.8109 -10.8109 -10.7909 -10.7909 -10.7394 -10.7394 -10.7295 -10.7295 0.0081 0.0081 0.0086 0.0086 3.4355 3.4355 3.4669 3.4669 6.6884 6.6884 6.7061 6.7061 7.9855 7.9855 8.0495 8.0495 9.2950 9.2950 9.2998 9.2998 12.6127 12.6127 12.6250 12.6250 14.0920 14.0920 14.1486 14.1486 14.2529 14.2529 k = 0.5000 0.2098 0.7778 ( 3148 PWs) bands (ev): -31.1011 -31.1011 -31.1011 -31.1011 -12.1856 -12.1856 -12.1783 -12.1783 -10.8092 -10.8092 -10.7880 -10.7880 -10.7392 -10.7392 -10.7284 -10.7284 -0.0356 -0.0356 -0.0349 -0.0349 3.5065 3.5065 3.5385 3.5385 6.6733 6.6733 6.6914 6.6914 8.0095 8.0095 8.0740 8.0740 9.3386 9.3386 9.3454 9.3454 12.6829 12.6829 12.6965 12.6965 13.9869 13.9869 14.0525 14.0525 14.1985 14.1985 k = 0.5000 0.2098 0.7542 ( 3152 PWs) bands (ev): -31.1014 -31.1014 -31.1014 -31.1014 -12.1844 -12.1844 -12.1769 -12.1769 -10.8073 -10.8073 -10.7851 -10.7851 -10.7389 -10.7389 -10.7273 -10.7273 -0.0798 -0.0798 -0.0788 -0.0788 3.5793 3.5793 3.6119 3.6119 6.6580 6.6580 6.6764 6.6764 8.0353 8.0353 8.1004 8.1004 9.3835 9.3835 9.3920 9.3920 12.7553 12.7553 12.7702 12.7702 13.8791 13.8791 13.9471 13.9471 14.1532 14.1532 k = 0.5000 0.2098 0.7306 ( 3142 PWs) bands (ev): -31.1016 -31.1016 -31.1016 -31.1016 -12.1831 -12.1831 -12.1755 -12.1755 -10.8054 -10.8054 -10.7822 -10.7822 -10.7386 -10.7386 -10.7261 -10.7261 -0.1243 -0.1243 -0.1231 -0.1231 3.6538 3.6538 3.6869 3.6869 6.6429 6.6429 6.6614 6.6614 8.0628 8.0628 8.1283 8.1283 9.4299 9.4299 9.4398 9.4398 12.8269 12.8269 12.8426 12.8426 13.7731 13.7731 13.8412 13.8412 14.1108 14.1108 k = 0.5000 0.2098 0.7071 ( 3136 PWs) bands (ev): -31.1019 -31.1019 -31.1019 -31.1019 -12.1818 -12.1818 -12.1741 -12.1741 -10.8035 -10.8035 -10.7792 -10.7792 -10.7382 -10.7382 -10.7248 -10.7248 -0.1690 -0.1690 -0.1676 -0.1676 3.7296 3.7296 3.7631 3.7631 6.6282 6.6282 6.6467 6.6467 8.0916 8.0916 8.1576 8.1576 9.4779 9.4779 9.4888 9.4888 12.8923 12.8923 12.9078 12.9078 13.6752 13.6752 13.7417 13.7417 14.0698 14.0698 k = 0.5000 0.2098 0.6835 ( 3136 PWs) bands (ev): -31.1022 -31.1022 -31.1022 -31.1022 -12.1804 -12.1804 -12.1726 -12.1726 -10.8015 -10.8015 -10.7762 -10.7762 -10.7379 -10.7379 -10.7235 -10.7235 -0.2137 -0.2137 -0.2121 -0.2121 3.8065 3.8065 3.8405 3.8405 6.6145 6.6145 6.6328 6.6328 8.1216 8.1216 8.1880 8.1880 9.5276 9.5276 9.5392 9.5392 12.9422 12.9422 12.9549 12.9549 13.5958 13.5958 13.6578 13.6578 14.0298 14.0298 k = 0.5000 0.2098 0.6599 ( 3144 PWs) bands (ev): -31.1025 -31.1025 -31.1025 -31.1025 -12.1790 -12.1790 -12.1712 -12.1712 -10.7995 -10.7995 -10.7732 -10.7732 -10.7375 -10.7375 -10.7222 -10.7222 -0.2583 -0.2583 -0.2565 -0.2565 3.8841 3.8841 3.9185 3.9185 6.6021 6.6021 6.6200 6.6200 8.1525 8.1525 8.2192 8.2192 9.5791 9.5791 9.5912 9.5912 12.9625 12.9625 12.9672 12.9672 13.5506 13.5506 13.6028 13.6028 13.9915 13.9915 k = 0.5000 0.2098 0.6364 ( 3142 PWs) bands (ev): -31.1028 -31.1028 -31.1028 -31.1028 -12.1776 -12.1776 -12.1697 -12.1697 -10.7975 -10.7975 -10.7702 -10.7702 -10.7370 -10.7370 -10.7208 -10.7208 -0.3026 -0.3026 -0.3007 -0.3007 3.9622 3.9622 3.9970 3.9970 6.5913 6.5913 6.6088 6.6088 8.1841 8.1841 8.2509 8.2509 9.6324 9.6324 9.6445 9.6445 12.9325 12.9325 12.9404 12.9404 13.5505 13.5505 13.5880 13.5880 13.9564 13.9564 k = 0.5000 0.2098 0.6128 ( 3154 PWs) bands (ev): -31.1032 -31.1032 -31.1032 -31.1032 -12.1761 -12.1761 -12.1683 -12.1683 -10.7954 -10.7954 -10.7672 -10.7672 -10.7365 -10.7365 -10.7193 -10.7193 -0.3466 -0.3466 -0.3446 -0.3446 4.0404 4.0404 4.0755 4.0755 6.5827 6.5827 6.5996 6.5996 8.2161 8.2161 8.2830 8.2830 9.6874 9.6874 9.6992 9.6992 12.8567 12.8567 12.8765 12.8765 13.5866 13.5866 13.6087 13.6087 13.9279 13.9279 k = 0.5000 0.2098 0.5892 ( 3154 PWs) bands (ev): -31.1035 -31.1035 -31.1035 -31.1035 -12.1747 -12.1747 -12.1669 -12.1669 -10.7933 -10.7933 -10.7643 -10.7643 -10.7359 -10.7359 -10.7178 -10.7178 -0.3902 -0.3902 -0.3880 -0.3880 4.1183 4.1183 4.1537 4.1537 6.5767 6.5767 6.5928 6.5928 8.2484 8.2484 8.3152 8.3152 9.7439 9.7439 9.7551 9.7551 12.7557 12.7557 12.7840 12.7840 13.6368 13.6368 13.6439 13.6439 13.9133 13.9133 k = 0.5000 0.2098 0.5656 ( 3150 PWs) bands (ev): -31.1037 -31.1037 -31.1037 -31.1037 -12.1732 -12.1732 -12.1654 -12.1654 -10.7913 -10.7913 -10.7615 -10.7615 -10.7352 -10.7352 -10.7163 -10.7163 -0.4331 -0.4331 -0.4308 -0.4308 4.1954 4.1954 4.2311 4.2311 6.5737 6.5737 6.5888 6.5888 8.2808 8.2808 8.3472 8.3472 9.8014 9.8014 9.8117 9.8117 12.6418 12.6418 12.6757 12.6757 13.6681 13.6681 13.6774 13.6774 13.9248 13.9248 k = 0.5000 0.2098 0.5421 ( 3138 PWs) bands (ev): -31.1040 -31.1040 -31.1040 -31.1040 -12.1717 -12.1717 -12.1640 -12.1640 -10.7892 -10.7892 -10.7589 -10.7589 -10.7344 -10.7344 -10.7148 -10.7148 -0.4752 -0.4752 -0.4729 -0.4729 4.2713 4.2713 4.3072 4.3072 6.5742 6.5742 6.5883 6.5883 8.3130 8.3130 8.3789 8.3789 9.8594 9.8594 9.8686 9.8686 12.5224 12.5224 12.5602 12.5602 13.6672 13.6672 13.6906 13.6906 13.9666 13.9666 k = 0.5000 0.2098 0.5185 ( 3138 PWs) bands (ev): -31.1043 -31.1043 -31.1043 -31.1043 -12.1702 -12.1702 -12.1627 -12.1627 -10.7871 -10.7871 -10.7564 -10.7564 -10.7334 -10.7334 -10.7132 -10.7132 -0.5165 -0.5165 -0.5141 -0.5141 4.3456 4.3456 4.3816 4.3816 6.5787 6.5787 6.5916 6.5916 8.3450 8.3450 8.4101 8.4101 9.9171 9.9171 9.9248 9.9248 12.4019 12.4019 12.4427 12.4427 13.6473 13.6473 13.6787 13.6787 14.0216 14.0216 k = 0.5000 0.2098 0.4949 ( 3142 PWs) bands (ev): -31.1046 -31.1046 -31.1046 -31.1046 -12.1687 -12.1687 -12.1613 -12.1613 -10.7850 -10.7850 -10.7541 -10.7541 -10.7322 -10.7322 -10.7117 -10.7117 -0.5569 -0.5569 -0.5545 -0.5545 4.4177 4.4177 4.4538 4.4538 6.5876 6.5876 6.5992 6.5992 8.3766 8.3766 8.4406 8.4406 9.9734 9.9734 9.9793 9.9793 12.2837 12.2837 12.3270 12.3270 13.6179 13.6179 13.6534 13.6534 14.0819 14.0819 k = 0.5000 0.2098 0.4714 ( 3152 PWs) bands (ev): -31.1049 -31.1049 -31.1049 -31.1049 -12.1672 -12.1672 -12.1600 -12.1600 -10.7830 -10.7830 -10.7522 -10.7522 -10.7307 -10.7307 -10.7101 -10.7101 -0.5962 -0.5962 -0.5937 -0.5937 4.4872 4.4872 4.5233 4.5233 6.6013 6.6013 6.6116 6.6116 8.4076 8.4076 8.4702 8.4702 10.0267 10.0267 10.0306 10.0306 12.1707 12.1707 12.2165 12.2165 13.5845 13.5845 13.6221 13.6221 14.1376 14.1376 k = 0.5000 0.2098 0.4478 ( 3152 PWs) bands (ev): -31.1052 -31.1052 -31.1052 -31.1052 -12.1658 -12.1658 -12.1587 -12.1587 -10.7810 -10.7810 -10.7505 -10.7505 -10.7291 -10.7291 -10.7085 -10.7085 -0.6342 -0.6342 -0.6318 -0.6318 4.5536 4.5536 4.5895 4.5895 6.6204 6.6204 6.6293 6.6293 8.4379 8.4379 8.4989 8.4989 10.0750 10.0750 10.0766 10.0766 12.0659 12.0659 12.1142 12.1142 13.5493 13.5493 13.5881 13.5881 14.1828 14.1828 k = 0.5000 0.2098 0.4242 ( 3152 PWs) bands (ev): -31.1055 -31.1055 -31.1054 -31.1054 -12.1643 -12.1643 -12.1575 -12.1575 -10.7790 -10.7790 -10.7491 -10.7491 -10.7272 -10.7272 -10.7070 -10.7070 -0.6710 -0.6710 -0.6686 -0.6686 4.6164 4.6164 4.6521 4.6521 6.6450 6.6450 6.6525 6.6525 8.4676 8.4676 8.5265 8.5265 10.1148 10.1148 10.1155 10.1155 11.9727 11.9727 12.0234 12.0234 13.5136 13.5136 13.5531 13.5531 14.2151 14.2152 k = 0.5000 0.2098 0.4007 ( 3148 PWs) bands (ev): -31.1057 -31.1057 -31.1057 -31.1057 -12.1629 -12.1629 -12.1563 -12.1563 -10.7770 -10.7770 -10.7480 -10.7480 -10.7251 -10.7251 -10.7054 -10.7054 -0.7064 -0.7064 -0.7041 -0.7041 4.6753 4.6753 4.7105 4.7105 6.6756 6.6756 6.6815 6.6815 8.4964 8.4964 8.5529 8.5529 10.1423 10.1423 10.1453 10.1453 11.8947 11.8947 11.9478 11.9478 13.4780 13.4780 13.5178 13.5178 14.2347 14.2348 k = 0.5000 0.2098 0.3771 ( 3136 PWs) bands (ev): -31.1059 -31.1059 -31.1059 -31.1059 -12.1615 -12.1615 -12.1552 -12.1552 -10.7751 -10.7751 -10.7472 -10.7472 -10.7229 -10.7229 -10.7040 -10.7040 -0.7404 -0.7404 -0.7381 -0.7381 4.7300 4.7300 4.7645 4.7645 6.7121 6.7121 6.7167 6.7167 8.5243 8.5243 8.5780 8.5780 10.1560 10.1560 10.1609 10.1609 11.8357 11.8357 11.8909 11.8909 13.4430 13.4430 13.4828 13.4828 14.2436 14.2437 k = 0.5000 0.2098 0.3535 ( 3132 PWs) bands (ev): -31.1061 -31.1061 -31.1061 -31.1061 -12.1601 -12.1601 -12.1541 -12.1541 -10.7732 -10.7732 -10.7466 -10.7466 -10.7206 -10.7206 -10.7025 -10.7025 -0.7727 -0.7727 -0.7705 -0.7705 4.7802 4.7802 4.8139 4.8139 6.7546 6.7546 6.7578 6.7578 8.5513 8.5513 8.6019 8.6019 10.1532 10.1532 10.1594 10.1594 11.7990 11.7990 11.8558 11.8558 13.4088 13.4088 13.4484 13.4484 14.2442 14.2443 k = 0.5000 0.2098 0.3300 ( 3130 PWs) bands (ev): -31.1064 -31.1064 -31.1064 -31.1064 -12.1588 -12.1588 -12.1531 -12.1531 -10.7713 -10.7713 -10.7462 -10.7462 -10.7182 -10.7182 -10.7012 -10.7012 -0.8034 -0.8034 -0.8013 -0.8013 4.8258 4.8258 4.8584 4.8584 6.8031 6.8031 6.8049 6.8049 8.5774 8.5774 8.6244 8.6244 10.1323 10.1323 10.1389 10.1389 11.7869 11.7869 11.8444 11.8444 13.3756 13.3756 13.4148 13.4148 14.2386 14.2387 k = 0.5000 0.2098 0.3064 ( 3128 PWs) bands (ev): -31.1066 -31.1066 -31.1066 -31.1066 -12.1576 -12.1576 -12.1521 -12.1521 -10.7695 -10.7695 -10.7459 -10.7459 -10.7159 -10.7159 -10.6999 -10.6999 -0.8324 -0.8324 -0.8303 -0.8303 4.8668 4.8668 4.8981 4.8981 6.8570 6.8570 6.8577 6.8577 8.6025 8.6025 8.6456 8.6456 10.0933 10.0933 10.0993 10.0993 11.7995 11.7995 11.8569 11.8569 13.3436 13.3436 13.3823 13.3823 14.2283 14.2283 k = 0.5000 0.2098 0.2828 ( 3128 PWs) bands (ev): -31.1068 -31.1068 -31.1068 -31.1068 -12.1564 -12.1564 -12.1513 -12.1513 -10.7678 -10.7678 -10.7458 -10.7458 -10.7135 -10.7135 -10.6986 -10.6986 -0.8595 -0.8595 -0.8576 -0.8576 4.9033 4.9033 4.9331 4.9331 6.9156 6.9156 6.9161 6.9161 8.6267 8.6267 8.6655 8.6655 10.0378 10.0378 10.0424 10.0424 11.8354 11.8354 11.8921 11.8921 13.3131 13.3131 13.3511 13.3511 14.2141 14.2142 k = 0.5000 0.2098 0.2593 ( 3126 PWs) bands (ev): -31.1069 -31.1069 -31.1069 -31.1069 -12.1552 -12.1552 -12.1505 -12.1505 -10.7661 -10.7661 -10.7458 -10.7458 -10.7112 -10.7112 -10.6975 -10.6975 -0.8847 -0.8847 -0.8829 -0.8829 4.9355 4.9355 4.9635 4.9635 6.9780 6.9780 6.9796 6.9796 8.6500 8.6500 8.6841 8.6841 9.9686 9.9686 9.9712 9.9712 11.8917 11.8917 11.9473 11.9473 13.2843 13.2843 13.3214 13.3214 14.1966 14.1967 k = 0.5000 0.2098 0.2357 ( 3126 PWs) bands (ev): -31.1071 -31.1071 -31.1071 -31.1071 -12.1541 -12.1541 -12.1497 -12.1497 -10.7645 -10.7645 -10.7459 -10.7459 -10.7090 -10.7090 -10.6965 -10.6965 -0.9080 -0.9080 -0.9063 -0.9063 4.9637 4.9637 4.9898 4.9898 7.0441 7.0441 7.0466 7.0466 8.6724 8.6724 8.7016 8.7016 9.8889 9.8889 9.8892 9.8892 11.9652 11.9652 12.0194 12.0194 13.2572 13.2572 13.2935 13.2935 14.1758 14.1759 k = 0.5000 0.2098 0.2121 ( 3134 PWs) bands (ev): -31.1073 -31.1073 -31.1073 -31.1073 -12.1531 -12.1531 -12.1491 -12.1491 -10.7629 -10.7629 -10.7461 -10.7461 -10.7069 -10.7069 -10.6956 -10.6956 -0.9292 -0.9292 -0.9277 -0.9277 4.9881 4.9881 5.0120 5.0120 7.1128 7.1128 7.1162 7.1162 8.6940 8.6940 8.7179 8.7179 9.7999 9.7999 9.8020 9.8020 12.0525 12.0525 12.1053 12.1053 13.2321 13.2321 13.2677 13.2677 14.1517 14.1517 k = 0.5000 0.2098 0.1885 ( 3130 PWs) bands (ev): -31.1074 -31.1074 -31.1074 -31.1074 -12.1521 -12.1521 -12.1485 -12.1485 -10.7614 -10.7614 -10.7464 -10.7464 -10.7048 -10.7048 -10.6949 -10.6949 -0.9483 -0.9483 -0.9470 -0.9470 5.0091 5.0091 5.0307 5.0307 7.1829 7.1829 7.1870 7.1870 8.7150 8.7150 8.7335 8.7335 9.7064 9.7064 9.7110 9.7110 12.1505 12.1505 12.2021 12.2021 13.2093 13.2093 13.2440 13.2440 14.1235 14.1235 k = 0.5000 0.2098 0.1650 ( 3130 PWs) bands (ev): -31.1076 -31.1076 -31.1076 -31.1076 -12.1512 -12.1512 -12.1481 -12.1481 -10.7599 -10.7599 -10.7467 -10.7467 -10.7030 -10.7030 -10.6942 -10.6942 -0.9653 -0.9653 -0.9641 -0.9641 5.0269 5.0269 5.0460 5.0460 7.2531 7.2531 7.2577 7.2577 8.7355 8.7355 8.7484 8.7484 9.6116 9.6116 9.6187 9.6187 12.2564 12.2564 12.3069 12.3069 13.1888 13.1888 13.2229 13.2229 14.0891 14.0902 k = 0.5000 0.2098 0.1414 ( 3126 PWs) bands (ev): -31.1077 -31.1077 -31.1077 -31.1077 -12.1504 -12.1504 -12.1477 -12.1477 -10.7585 -10.7585 -10.7472 -10.7472 -10.7012 -10.7012 -10.6938 -10.6938 -0.9802 -0.9802 -0.9791 -0.9791 5.0418 5.0418 5.0585 5.0585 7.3214 7.3214 7.3264 7.3264 8.7556 8.7556 8.7630 8.7630 9.5183 9.5183 9.5277 9.5277 12.3675 12.3675 12.4169 12.4169 13.1710 13.1710 13.2046 13.2046 14.0473 14.0474 k = 0.5000 0.2098 0.1178 ( 3120 PWs) bands (ev): -31.1077 -31.1077 -31.1077 -31.1077 -12.1497 -12.1497 -12.1474 -12.1474 -10.7572 -10.7572 -10.7477 -10.7477 -10.6997 -10.6997 -10.6934 -10.6934 -0.9928 -0.9928 -0.9919 -0.9919 5.0542 5.0542 5.0682 5.0682 7.3860 7.3860 7.3911 7.3911 8.7755 8.7755 8.7776 8.7776 9.4291 9.4291 9.4404 9.4404 12.4807 12.4807 12.5290 12.5290 13.1561 13.1561 13.1894 13.1894 13.9967 13.9967 k = 0.5000 0.2098 0.0943 ( 3130 PWs) bands (ev): -31.1078 -31.1078 -31.1078 -31.1078 -12.1491 -12.1491 -12.1472 -12.1472 -10.7559 -10.7559 -10.7483 -10.7483 -10.6983 -10.6983 -10.6933 -10.6933 -1.0031 -1.0031 -1.0024 -1.0024 5.0643 5.0643 5.0756 5.0756 7.4445 7.4445 7.4494 7.4494 8.7927 8.7927 8.7950 8.7950 9.3471 9.3471 9.3597 9.3597 12.5922 12.5922 12.6390 12.6390 13.1448 13.1448 13.1777 13.1777 13.9364 13.9364 k = 0.5000 0.2098 0.0707 ( 3130 PWs) bands (ev): -31.1079 -31.1079 -31.1079 -31.1079 -12.1485 -12.1485 -12.1471 -12.1471 -10.7547 -10.7547 -10.7490 -10.7490 -10.6970 -10.6970 -10.6933 -10.6933 -1.0111 -1.0111 -1.0106 -1.0106 5.0723 5.0723 5.0808 5.0808 7.4944 7.4944 7.4986 7.4986 8.8082 8.8082 8.8136 8.8136 9.2757 9.2757 9.2884 9.2884 12.6970 12.6970 12.7407 12.7407 13.1379 13.1379 13.1695 13.1695 13.8695 13.8695 k = 0.5000 0.2098 0.0471 ( 3134 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1480 -12.1480 -12.1471 -12.1471 -10.7536 -10.7536 -10.7498 -10.7498 -10.6959 -10.6959 -10.6935 -10.6935 -1.0169 -1.0169 -1.0165 -1.0165 5.0782 5.0782 5.0839 5.0839 7.5329 7.5329 7.5361 7.5361 8.8235 8.8235 8.8298 8.8298 9.2193 9.2193 9.2303 9.2303 12.7877 12.7877 12.8243 12.8243 13.1371 13.1371 13.1646 13.1646 13.8042 13.8042 k = 0.5000 0.2098 0.0236 ( 3134 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1477 -12.1477 -12.1472 -12.1472 -10.7525 -10.7525 -10.7506 -10.7506 -10.6951 -10.6951 -10.6938 -10.6938 -1.0203 -1.0203 -1.0201 -1.0201 5.0824 5.0824 5.0852 5.0852 7.5576 7.5576 7.5593 7.5593 8.8363 8.8363 8.8407 8.8407 9.1835 9.1835 9.1901 9.1901 12.8543 12.8543 12.8764 12.8764 13.1436 13.1436 13.1607 13.1607 13.7547 13.7547 k = 0.5000 0.2098-0.0000 ( 3138 PWs) bands (ev): -31.1080 -31.1080 -31.1080 -31.1080 -12.1474 -12.1474 -12.1474 -12.1474 -10.7516 -10.7516 -10.7516 -10.7516 -10.6943 -10.6943 -10.6943 -10.6943 -1.0214 -1.0214 -1.0214 -1.0214 5.0847 5.0847 5.0847 5.0847 7.5666 7.5666 7.5666 7.5666 8.8430 8.8430 8.8430 8.8430 9.1733 9.1733 9.1733 9.1733 12.8864 12.8864 12.8864 12.8864 13.1538 13.1538 13.1538 13.1538 13.7369 13.7369 k = 0.0000 0.0000 1.2922 ( 3130 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1974 -12.1974 -12.1974 -12.1974 -10.8265 -10.8265 -10.8265 -10.8265 -10.7405 -10.7405 -10.7405 -10.7405 0.5562 0.5562 0.5562 0.5562 2.6458 2.6458 2.6458 2.6458 6.7863 6.7863 6.7863 6.7863 7.9655 7.9655 7.9655 7.9655 8.6243 8.6243 8.6243 8.6243 12.3239 12.3239 12.3239 12.3239 14.8230 14.8230 14.8230 14.8230 15.0958 15.0958 k = 0.0208 0.0087 1.2922 ( 3134 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1974 -12.1974 -12.1973 -12.1973 -10.8277 -10.8277 -10.8252 -10.8252 -10.7418 -10.7418 -10.7393 -10.7393 0.5557 0.5557 0.5567 0.5567 2.6447 2.6447 2.6469 2.6469 6.7854 6.7854 6.7875 6.7875 7.9629 7.9629 7.9659 7.9659 8.6234 8.6234 8.6280 8.6280 12.3197 12.3197 12.3239 12.3239 14.8267 14.8267 14.8287 14.8287 15.0959 15.0960 k = 0.0417 0.0175 1.2922 ( 3126 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1975 -12.1975 -12.1973 -12.1973 -10.8290 -10.8290 -10.8238 -10.8238 -10.7431 -10.7431 -10.7381 -10.7381 0.5553 0.5553 0.5572 0.5572 2.6436 2.6436 2.6480 2.6480 6.7849 6.7849 6.7889 6.7889 7.9580 7.9580 7.9639 7.9639 8.6254 8.6254 8.6345 8.6345 12.3114 12.3114 12.3198 12.3198 14.8395 14.8395 14.8434 14.8434 15.0964 15.0964 k = 0.0625 0.0262 1.2922 ( 3122 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1975 -12.1975 -12.1972 -12.1972 -10.8301 -10.8301 -10.8225 -10.8225 -10.7443 -10.7443 -10.7370 -10.7370 0.5548 0.5548 0.5576 0.5576 2.6425 2.6425 2.6490 2.6490 6.7845 6.7845 6.7905 6.7905 7.9514 7.9514 7.9600 7.9600 8.6300 8.6300 8.6432 8.6432 12.2996 12.2996 12.3119 12.3119 14.8606 14.8606 14.8664 14.8664 15.0974 15.0975 k = 0.0833 0.0350 1.2922 ( 3116 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1976 -12.1976 -12.1972 -12.1972 -10.8312 -10.8312 -10.8212 -10.8212 -10.7456 -10.7456 -10.7360 -10.7360 0.5544 0.5544 0.5581 0.5581 2.6415 2.6415 2.6501 2.6501 6.7845 6.7845 6.7922 6.7922 7.9434 7.9434 7.9544 7.9544 8.6367 8.6367 8.6537 8.6537 12.2851 12.2851 12.3011 12.3011 14.8885 14.8885 14.8959 14.8959 15.0993 15.0993 k = 0.1042 0.0437 1.2922 ( 3116 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1976 -12.1976 -12.1971 -12.1971 -10.8321 -10.8321 -10.8200 -10.8200 -10.7468 -10.7468 -10.7351 -10.7351 0.5540 0.5540 0.5585 0.5585 2.6406 2.6406 2.6510 2.6510 6.7846 6.7846 6.7940 6.7940 7.9347 7.9347 7.9477 7.9477 8.6448 8.6448 8.6652 8.6652 12.2689 12.2689 12.2883 12.2883 14.9211 14.9211 14.9300 14.9300 15.1023 15.1023 k = 0.1250 0.0525 1.2922 ( 3114 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1977 -12.1977 -12.1971 -12.1971 -10.8330 -10.8330 -10.8188 -10.8188 -10.7479 -10.7479 -10.7343 -10.7343 0.5536 0.5536 0.5588 0.5588 2.6398 2.6398 2.6518 2.6518 6.7849 6.7849 6.7959 6.7959 7.9257 7.9257 7.9405 7.9405 8.6536 8.6536 8.6770 8.6770 12.2520 12.2520 12.2744 12.2744 14.9556 14.9556 14.9656 14.9656 15.1074 15.1074 k = 0.1458 0.0612 1.2922 ( 3118 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1977 -12.1977 -12.1970 -12.1970 -10.8337 -10.8337 -10.8178 -10.8178 -10.7489 -10.7489 -10.7336 -10.7336 0.5533 0.5533 0.5592 0.5592 2.6390 2.6390 2.6526 2.6526 6.7852 6.7852 6.7976 6.7976 7.9171 7.9171 7.9333 7.9333 8.6625 8.6625 8.6885 8.6885 12.2355 12.2355 12.2604 12.2604 14.9882 14.9882 14.9989 14.9989 15.1161 15.1161 k = 0.1667 0.0699 1.2922 ( 3112 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1977 -12.1977 -12.1970 -12.1970 -10.8344 -10.8344 -10.8169 -10.8169 -10.7498 -10.7498 -10.7330 -10.7330 0.5530 0.5530 0.5594 0.5594 2.6384 2.6384 2.6532 2.6532 6.7856 6.7856 6.7992 6.7992 7.9093 7.9093 7.9266 7.9266 8.6708 8.6708 8.6988 8.6988 12.2204 12.2204 12.2475 12.2475 15.0149 15.0149 15.0253 15.0253 15.1301 15.1301 k = 0.1875 0.0787 1.2922 ( 3112 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8349 -10.8349 -10.8162 -10.8162 -10.7505 -10.7505 -10.7325 -10.7325 0.5528 0.5528 0.5596 0.5596 2.6379 2.6379 2.6537 2.6537 6.7860 6.7860 6.8005 6.8005 7.9028 7.9028 7.9210 7.9210 8.6779 8.6779 8.7075 8.7075 12.2077 12.2077 12.2364 12.2364 15.0332 15.0332 15.0426 15.0426 15.1488 15.1488 k = 0.2083 0.0874 1.2922 ( 3114 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8352 -10.8352 -10.8156 -10.8156 -10.7510 -10.7510 -10.7322 -10.7322 0.5527 0.5527 0.5598 0.5598 2.6376 2.6376 2.6540 2.6540 6.7863 6.7863 6.8015 6.8015 7.8979 7.8979 7.9167 7.9167 8.6834 8.6834 8.7141 8.7141 12.1980 12.1980 12.2280 12.2280 15.0439 15.0439 15.0521 15.0521 15.1678 15.1682 k = 0.2292 0.0962 1.2922 ( 3108 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8354 -10.8354 -10.8153 -10.8153 -10.7513 -10.7513 -10.7320 -10.7320 0.5526 0.5526 0.5599 0.5599 2.6374 2.6374 2.6542 2.6542 6.7865 6.7865 6.8021 6.8021 7.8948 7.8948 7.9140 7.9140 8.6868 8.6868 8.7182 8.7182 12.1920 12.1920 12.2227 12.2227 15.0492 15.0492 15.0567 15.0567 15.1816 15.1821 k = 0.2500 0.1049 1.2922 ( 3104 PWs) bands (ev): -31.0974 -31.0974 -31.0974 -31.0974 -12.1978 -12.1978 -12.1970 -12.1970 -10.8355 -10.8355 -10.8152 -10.8152 -10.7514 -10.7514 -10.7319 -10.7319 0.5525 0.5525 0.5599 0.5599 2.6373 2.6373 2.6543 2.6543 6.7866 6.7866 6.8023 6.8023 7.8938 7.8938 7.9131 7.9131 8.6879 8.6879 8.7196 8.7196 12.1899 12.1899 12.2208 12.2208 15.0508 15.0508 15.0581 15.0581 15.1866 15.1870 Writing output data file YGe2.save init_run : 0.22s CPU 0.34s WALL ( 1 calls) electrons : 224.68s CPU 227.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 224.67s CPU 227.27s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 335 calls) cegterg : 199.84s CPU 201.99s WALL ( 622 calls) Called by sum_band: Called by *egterg: h_psi : 146.33s CPU 148.47s WALL ( 10531 calls) s_psi : 3.70s CPU 3.53s WALL ( 10531 calls) g_psi : 0.24s CPU 0.17s WALL ( 9574 calls) cdiaghg : 60.13s CPU 60.42s WALL ( 9909 calls) cegterg:over : 4.06s CPU 4.23s WALL ( 9574 calls) cegterg:upda : 3.41s CPU 3.58s WALL ( 9574 calls) cegterg:last : 1.77s CPU 1.70s WALL ( 1292 calls) cdiaghg:chol : 3.35s CPU 3.24s WALL ( 9909 calls) cdiaghg:inve : 1.92s CPU 2.15s WALL ( 9909 calls) cdiaghg:para : 3.15s CPU 3.37s WALL ( 19818 calls) Called by h_psi: h_psi:vloc : 137.62s CPU 139.65s WALL ( 10531 calls) h_psi:vnl : 8.55s CPU 8.65s WALL ( 10531 calls) add_vuspsi : 4.14s CPU 4.27s WALL ( 10531 calls) General routines calbec : 4.38s CPU 4.36s WALL ( 10531 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 129.66s CPU 131.38s WALL ( 799048 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 670 calls) Parallel routines fft_scatter : 37.00s CPU 37.81s WALL ( 799071 calls) PWSCF : 3m57.30s CPU 4m14.26s WALL This run was terminated on: 19:11:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=