Program PWSCF v.5.1.1 starts on 21Jun2015 at 7:30:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbI2.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 19 5 1824 1515 230 Max 23 20 7 1843 1544 248 Sum 1069 955 283 88095 73657 11359 bravais-lattice index = 14 lattice parameter (alat) = 8.6115 a.u. unit-cell volume = 1693.9804 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.611481 celldm(2)= 1.000000 celldm(3)= 3.062980 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 3.062980 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.326479 ) PseudoPot. # 1 for Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) I 7.00 126.90450 I( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0038023 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0038023 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0038023 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0038023 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0038023 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0038023 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0038023 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0038023 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0038023 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0038023 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0038023 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0038023 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0038023 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0038023 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0038023 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0038023 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0038023 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0038023 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0038023 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0038023 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0038023 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0038023 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0038023 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0038023 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0038023 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0038023 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0038023 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0038023 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0038023 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0038023 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0038023 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0038023 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0038023 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0038023 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0038023 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0038023 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0038023 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0038023 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0038023 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038023 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038023 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0038023 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0038023 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0038023 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0038023 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0038023 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0038023 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0038023 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0038023 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0038023 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0038023 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0038023 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0038023 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0038023 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0038023 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0038023 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0038023 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0038023 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0038023 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0038023 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0038023 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0038023 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0038023 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038023 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038023 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0038023 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0038023 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0038023 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0038023 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0038023 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0038023 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0038023 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0038023 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0038023 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0038023 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0038023 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0038023 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0038023 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0038023 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0038023 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0038023 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0038023 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0038023 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0038023 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0038023 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0038023 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0038023 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0038023 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0038023 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0038023 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0038023 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0038023 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0038023 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0038023 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0038023 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0038023 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0038023 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0038023 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0038023 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0038023 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0038023 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0038023 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0038023 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0038023 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0038023 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0038023 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0038023 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0038023 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0038023 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0038023 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 114) = ( 0.0000000 0.0000000 0.0136033), wk = 0.0038023 k( 115) = ( 0.0000000 0.0000000 0.0272066), wk = 0.0038023 k( 116) = ( 0.0000000 0.0000000 0.0408099), wk = 0.0038023 k( 117) = ( 0.0000000 0.0000000 0.0544132), wk = 0.0038023 k( 118) = ( 0.0000000 0.0000000 0.0680165), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0816199), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0952232), wk = 0.0038023 k( 121) = ( 0.0000000 0.0000000 0.1088265), wk = 0.0038023 k( 122) = ( 0.0000000 0.0000000 0.1224298), wk = 0.0038023 k( 123) = ( 0.0000000 0.0000000 0.1360331), wk = 0.0038023 k( 124) = ( 0.0000000 0.0000000 0.1496364), wk = 0.0038023 k( 125) = ( 0.0000000 0.0000000 0.1632397), wk = 0.0038023 k( 126) = ( 0.0000000 0.0000000 0.1632397), wk = 0.0038023 k( 127) = ( 0.0125000 0.0072169 0.1632397), wk = 0.0038023 k( 128) = ( 0.0250000 0.0144338 0.1632397), wk = 0.0038023 k( 129) = ( 0.0375000 0.0216506 0.1632397), wk = 0.0038023 k( 130) = ( 0.0500000 0.0288675 0.1632397), wk = 0.0038023 k( 131) = ( 0.0625000 0.0360844 0.1632397), wk = 0.0038023 k( 132) = ( 0.0750000 0.0433013 0.1632397), wk = 0.0038023 k( 133) = ( 0.0875000 0.0505181 0.1632397), wk = 0.0038023 k( 134) = ( 0.1000000 0.0577350 0.1632397), wk = 0.0038023 k( 135) = ( 0.1125000 0.0649519 0.1632397), wk = 0.0038023 k( 136) = ( 0.1250000 0.0721688 0.1632397), wk = 0.0038023 k( 137) = ( 0.1375000 0.0793857 0.1632397), wk = 0.0038023 k( 138) = ( 0.1500000 0.0866025 0.1632397), wk = 0.0038023 k( 139) = ( 0.1625000 0.0938194 0.1632397), wk = 0.0038023 k( 140) = ( 0.1750000 0.1010363 0.1632397), wk = 0.0038023 k( 141) = ( 0.1875000 0.1082532 0.1632397), wk = 0.0038023 k( 142) = ( 0.2000000 0.1154701 0.1632397), wk = 0.0038023 k( 143) = ( 0.2125000 0.1226869 0.1632397), wk = 0.0038023 k( 144) = ( 0.2250000 0.1299038 0.1632397), wk = 0.0038023 k( 145) = ( 0.2375000 0.1371207 0.1632397), wk = 0.0038023 k( 146) = ( 0.2500000 0.1443376 0.1632397), wk = 0.0038023 k( 147) = ( 0.2625000 0.1515544 0.1632397), wk = 0.0038023 k( 148) = ( 0.2750000 0.1587713 0.1632397), wk = 0.0038023 k( 149) = ( 0.2875000 0.1659882 0.1632397), wk = 0.0038023 k( 150) = ( 0.3000000 0.1732051 0.1632397), wk = 0.0038023 k( 151) = ( 0.3125000 0.1804220 0.1632397), wk = 0.0038023 k( 152) = ( 0.3250000 0.1876388 0.1632397), wk = 0.0038023 k( 153) = ( 0.3375000 0.1948557 0.1632397), wk = 0.0038023 k( 154) = ( 0.3500000 0.2020726 0.1632397), wk = 0.0038023 k( 155) = ( 0.3625000 0.2092895 0.1632397), wk = 0.0038023 k( 156) = ( 0.3750000 0.2165064 0.1632397), wk = 0.0038023 k( 157) = ( 0.3875000 0.2237232 0.1632397), wk = 0.0038023 k( 158) = ( 0.4000000 0.2309401 0.1632397), wk = 0.0038023 k( 159) = ( 0.4125000 0.2381570 0.1632397), wk = 0.0038023 k( 160) = ( 0.4250000 0.2453739 0.1632397), wk = 0.0038023 k( 161) = ( 0.4375000 0.2525907 0.1632397), wk = 0.0038023 k( 162) = ( 0.4500000 0.2598076 0.1632397), wk = 0.0038023 k( 163) = ( 0.4625000 0.2670245 0.1632397), wk = 0.0038023 k( 164) = ( 0.4750000 0.2742414 0.1632397), wk = 0.0038023 k( 165) = ( 0.4875000 0.2814583 0.1632397), wk = 0.0038023 k( 166) = ( 0.5000000 0.2886751 0.1632397), wk = 0.0038023 k( 167) = ( 0.5000000 0.2886751 0.1632397), wk = 0.0038023 k( 168) = ( 0.4927536 0.3012262 0.1632397), wk = 0.0038023 k( 169) = ( 0.4855073 0.3137773 0.1632397), wk = 0.0038023 k( 170) = ( 0.4782609 0.3263284 0.1632397), wk = 0.0038023 k( 171) = ( 0.4710145 0.3388795 0.1632397), wk = 0.0038023 k( 172) = ( 0.4637681 0.3514306 0.1632397), wk = 0.0038023 k( 173) = ( 0.4565217 0.3639817 0.1632397), wk = 0.0038023 k( 174) = ( 0.4492754 0.3765328 0.1632397), wk = 0.0038023 k( 175) = ( 0.4420290 0.3890839 0.1632397), wk = 0.0038023 k( 176) = ( 0.4347826 0.4016350 0.1632397), wk = 0.0038023 k( 177) = ( 0.4275362 0.4141861 0.1632397), wk = 0.0038023 k( 178) = ( 0.4202899 0.4267372 0.1632397), wk = 0.0038023 k( 179) = ( 0.4130435 0.4392882 0.1632397), wk = 0.0038023 k( 180) = ( 0.4057971 0.4518393 0.1632397), wk = 0.0038023 k( 181) = ( 0.3985507 0.4643904 0.1632397), wk = 0.0038023 k( 182) = ( 0.3913044 0.4769415 0.1632397), wk = 0.0038023 k( 183) = ( 0.3840580 0.4894926 0.1632397), wk = 0.0038023 k( 184) = ( 0.3768116 0.5020437 0.1632397), wk = 0.0038023 k( 185) = ( 0.3695652 0.5145948 0.1632397), wk = 0.0038023 k( 186) = ( 0.3623188 0.5271459 0.1632397), wk = 0.0038023 k( 187) = ( 0.3550725 0.5396970 0.1632397), wk = 0.0038023 k( 188) = ( 0.3478261 0.5522481 0.1632397), wk = 0.0038023 k( 189) = ( 0.3405797 0.5647992 0.1632397), wk = 0.0038023 k( 190) = ( 0.3333333 0.5773503 0.1632397), wk = 0.0038023 k( 191) = ( 0.3333333 0.5773503 0.1632397), wk = 0.0038023 k( 192) = ( 0.3260870 0.5647992 0.1632397), wk = 0.0038023 k( 193) = ( 0.3188406 0.5522481 0.1632397), wk = 0.0038023 k( 194) = ( 0.3115942 0.5396970 0.1632397), wk = 0.0038023 k( 195) = ( 0.3043478 0.5271459 0.1632397), wk = 0.0038023 k( 196) = ( 0.2971014 0.5145948 0.1632397), wk = 0.0038023 k( 197) = ( 0.2898551 0.5020437 0.1632397), wk = 0.0038023 k( 198) = ( 0.2826087 0.4894926 0.1632397), wk = 0.0038023 k( 199) = ( 0.2753623 0.4769415 0.1632397), wk = 0.0038023 k( 200) = ( 0.2681159 0.4643904 0.1632397), wk = 0.0038023 k( 201) = ( 0.2608696 0.4518393 0.1632397), wk = 0.0038023 k( 202) = ( 0.2536232 0.4392883 0.1632397), wk = 0.0038023 k( 203) = ( 0.2463768 0.4267372 0.1632397), wk = 0.0038023 k( 204) = ( 0.2391304 0.4141861 0.1632397), wk = 0.0038023 k( 205) = ( 0.2318841 0.4016350 0.1632397), wk = 0.0038023 k( 206) = ( 0.2246377 0.3890839 0.1632397), wk = 0.0038023 k( 207) = ( 0.2173913 0.3765328 0.1632397), wk = 0.0038023 k( 208) = ( 0.2101449 0.3639817 0.1632397), wk = 0.0038023 k( 209) = ( 0.2028986 0.3514306 0.1632397), wk = 0.0038023 k( 210) = ( 0.1956522 0.3388795 0.1632397), wk = 0.0038023 k( 211) = ( 0.1884058 0.3263284 0.1632397), wk = 0.0038023 k( 212) = ( 0.1811594 0.3137773 0.1632397), wk = 0.0038023 k( 213) = ( 0.1739130 0.3012262 0.1632397), wk = 0.0038023 k( 214) = ( 0.1666667 0.2886751 0.1632397), wk = 0.0038023 k( 215) = ( 0.1594203 0.2761240 0.1632397), wk = 0.0038023 k( 216) = ( 0.1521739 0.2635729 0.1632397), wk = 0.0038023 k( 217) = ( 0.1449275 0.2510219 0.1632397), wk = 0.0038023 k( 218) = ( 0.1376812 0.2384708 0.1632397), wk = 0.0038023 k( 219) = ( 0.1304348 0.2259197 0.1632397), wk = 0.0038023 k( 220) = ( 0.1231884 0.2133686 0.1632397), wk = 0.0038023 k( 221) = ( 0.1159420 0.2008175 0.1632397), wk = 0.0038023 k( 222) = ( 0.1086957 0.1882664 0.1632397), wk = 0.0038023 k( 223) = ( 0.1014493 0.1757153 0.1632397), wk = 0.0038023 k( 224) = ( 0.0942029 0.1631642 0.1632397), wk = 0.0038023 k( 225) = ( 0.0869565 0.1506131 0.1632397), wk = 0.0038023 k( 226) = ( 0.0797101 0.1380620 0.1632397), wk = 0.0038023 k( 227) = ( 0.0724638 0.1255109 0.1632397), wk = 0.0038023 k( 228) = ( 0.0652174 0.1129598 0.1632397), wk = 0.0038023 k( 229) = ( 0.0579710 0.1004087 0.1632397), wk = 0.0038023 k( 230) = ( 0.0507246 0.0878577 0.1632397), wk = 0.0038023 k( 231) = ( 0.0434783 0.0753066 0.1632397), wk = 0.0038023 k( 232) = ( 0.0362319 0.0627555 0.1632397), wk = 0.0038023 k( 233) = ( 0.0289855 0.0502044 0.1632397), wk = 0.0038023 k( 234) = ( 0.0217391 0.0376533 0.1632397), wk = 0.0038023 k( 235) = ( 0.0144928 0.0251022 0.1632397), wk = 0.0038023 k( 236) = ( 0.0072464 0.0125511 0.1632397), wk = 0.0038023 k( 237) = ( 0.0000000 0.0000000 0.1632397), wk = 0.0038023 k( 238) = ( 0.5000000 0.2886751 0.1632397), wk = 0.0038023 k( 239) = ( 0.5000000 0.2886751 0.1496364), wk = 0.0038023 k( 240) = ( 0.5000000 0.2886751 0.1360331), wk = 0.0038023 k( 241) = ( 0.5000000 0.2886751 0.1224298), wk = 0.0038023 k( 242) = ( 0.5000000 0.2886751 0.1088265), wk = 0.0038023 k( 243) = ( 0.5000000 0.2886751 0.0952232), wk = 0.0038023 k( 244) = ( 0.5000000 0.2886751 0.0816199), wk = 0.0038023 k( 245) = ( 0.5000000 0.2886751 0.0680165), wk = 0.0038023 k( 246) = ( 0.5000000 0.2886751 0.0544132), wk = 0.0038023 k( 247) = ( 0.5000000 0.2886751 0.0408099), wk = 0.0038023 k( 248) = ( 0.5000000 0.2886751 0.0272066), wk = 0.0038023 k( 249) = ( 0.5000000 0.2886751 0.0136033), wk = 0.0038023 k( 250) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038023 k( 251) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038023 k( 252) = ( 0.3333333 0.5773503 0.0136033), wk = 0.0038023 k( 253) = ( 0.3333333 0.5773503 0.0272066), wk = 0.0038023 k( 254) = ( 0.3333333 0.5773503 0.0408099), wk = 0.0038023 k( 255) = ( 0.3333333 0.5773503 0.0544132), wk = 0.0038023 k( 256) = ( 0.3333333 0.5773503 0.0680165), wk = 0.0038023 k( 257) = ( 0.3333333 0.5773503 0.0816199), wk = 0.0038023 k( 258) = ( 0.3333333 0.5773503 0.0952232), wk = 0.0038023 k( 259) = ( 0.3333333 0.5773503 0.1088265), wk = 0.0038023 k( 260) = ( 0.3333333 0.5773503 0.1224298), wk = 0.0038023 k( 261) = ( 0.3333333 0.5773503 0.1360331), wk = 0.0038023 k( 262) = ( 0.3333333 0.5773503 0.1496364), wk = 0.0038023 k( 263) = ( 0.3333333 0.5773503 0.1632397), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0038023 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0038023 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0038023 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0038023 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0038023 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0038023 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0038023 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0038023 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0038023 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0038023 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0038023 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0038023 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0038023 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0038023 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0038023 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0038023 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0038023 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0038023 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0038023 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0038023 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0038023 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0038023 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0038023 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0038023 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0038023 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0038023 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0038023 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0038023 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0038023 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0038023 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0038023 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0038023 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0038023 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0038023 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0038023 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0038023 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0038023 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0038023 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0038023 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 43) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0038023 k( 44) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0038023 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0038023 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0038023 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0038023 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0038023 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0038023 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0038023 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0038023 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0038023 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0038023 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0038023 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0038023 k( 56) = ( 0.3985507 0.2028985 0.0000000), wk = 0.0038023 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0038023 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0038023 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0038023 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0038023 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0038023 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0038023 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0038023 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0038023 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038023 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038023 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0038023 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0038023 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0038023 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0038023 k( 71) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0038023 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0038023 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0038023 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0038023 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0038023 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0038023 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0038023 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0038023 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0038023 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0038023 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0038023 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0038023 k( 83) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0038023 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0038023 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0038023 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0038023 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0038023 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0038023 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0038023 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0038023 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0038023 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0038023 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0038023 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0038023 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0038023 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0038023 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0038023 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0038023 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0038023 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0038023 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0038023 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0038023 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0038023 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0038023 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0038023 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0038023 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0038023 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0038023 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0038023 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0038023 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0038023 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 114) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0038023 k( 115) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0038023 k( 116) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038023 k( 117) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038023 k( 118) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0038023 k( 121) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038023 k( 122) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038023 k( 123) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0038023 k( 124) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0038023 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 127) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0038023 k( 128) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0038023 k( 129) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0038023 k( 130) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0038023 k( 131) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0038023 k( 132) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0038023 k( 133) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0038023 k( 134) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0038023 k( 135) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0038023 k( 136) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0038023 k( 137) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0038023 k( 138) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0038023 k( 139) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0038023 k( 140) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0038023 k( 141) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0038023 k( 142) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0038023 k( 143) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0038023 k( 144) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0038023 k( 145) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0038023 k( 146) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0038023 k( 147) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0038023 k( 148) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0038023 k( 149) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0038023 k( 150) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0038023 k( 151) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0038023 k( 152) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0038023 k( 153) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0038023 k( 154) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0038023 k( 155) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0038023 k( 156) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0038023 k( 157) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0038023 k( 158) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0038023 k( 159) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0038023 k( 160) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0038023 k( 161) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0038023 k( 162) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0038023 k( 163) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0038023 k( 164) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0038023 k( 165) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0038023 k( 166) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 167) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 168) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0038023 k( 169) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0038023 k( 170) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0038023 k( 171) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0038023 k( 172) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0038023 k( 173) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0038023 k( 174) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0038023 k( 175) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0038023 k( 176) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0038023 k( 177) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0038023 k( 178) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0038023 k( 179) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0038023 k( 180) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0038023 k( 181) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0038023 k( 182) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0038023 k( 183) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0038023 k( 184) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0038023 k( 185) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0038023 k( 186) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0038023 k( 187) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0038023 k( 188) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0038023 k( 189) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0038023 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038023 k( 191) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038023 k( 192) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0038023 k( 193) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0038023 k( 194) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0038023 k( 195) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0038023 k( 196) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0038023 k( 197) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0038023 k( 198) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0038023 k( 199) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0038023 k( 200) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0038023 k( 201) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0038023 k( 202) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0038023 k( 203) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0038023 k( 204) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0038023 k( 205) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0038023 k( 206) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0038023 k( 207) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0038023 k( 208) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0038023 k( 209) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0038023 k( 210) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0038023 k( 211) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0038023 k( 212) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0038023 k( 213) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0038023 k( 214) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038023 k( 215) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0038023 k( 216) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0038023 k( 217) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0038023 k( 218) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0038023 k( 219) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0038023 k( 220) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0038023 k( 221) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0038023 k( 222) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0038023 k( 223) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0038023 k( 224) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0038023 k( 225) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0038023 k( 226) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0038023 k( 227) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0038023 k( 228) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0038023 k( 229) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0038023 k( 230) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0038023 k( 231) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0038023 k( 232) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0038023 k( 233) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0038023 k( 234) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0038023 k( 235) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0038023 k( 236) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0038023 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 239) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0038023 k( 240) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0038023 k( 241) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0038023 k( 242) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038023 k( 243) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0038023 k( 244) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0038023 k( 245) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0038023 k( 246) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038023 k( 247) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0038023 k( 248) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0038023 k( 249) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0038023 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 251) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038023 k( 252) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0038023 k( 253) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0038023 k( 254) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0038023 k( 255) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0038023 k( 256) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0038023 k( 257) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0038023 k( 258) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0038023 k( 259) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038023 k( 260) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0038023 k( 261) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0038023 k( 262) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0038023 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038023 Dense grid: 88095 G-vectors FFT dimensions: ( 40, 40, 125) Smooth grid: 73657 G-vectors FFT dimensions: ( 40, 40, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 384, 68) NL pseudopotentials 0.60 Mb ( 192, 204) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1826) G-vector shells 0.01 Mb ( 924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.59 Mb ( 384, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.42 Mb ( 204, 2, 68) The potential is recalculated from file : ./PbI2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.8 secs Computing kpt #: 2 total cpu time spent up to now is 47.8 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 53.6 secs Computing kpt #: 5 total cpu time spent up to now is 56.5 secs Computing kpt #: 6 total cpu time spent up to now is 59.3 secs Computing kpt #: 7 total cpu time spent up to now is 62.2 secs Computing kpt #: 8 total cpu time spent up to now is 65.1 secs Computing kpt #: 9 total cpu time spent up to now is 68.8 secs Computing kpt #: 10 total cpu time spent up to now is 72.6 secs Computing kpt #: 11 total cpu time spent up to now is 77.7 secs Computing kpt #: 12 total cpu time spent up to now is 80.6 secs Computing kpt #: 13 total cpu time spent up to now is 84.4 secs Computing kpt #: 14 total cpu time spent up to now is 87.4 secs Computing kpt #: 15 total cpu time spent up to now is 90.2 secs Computing kpt #: 16 total cpu time spent up to now is 93.7 secs Computing kpt #: 17 total cpu time spent up to now is 96.7 secs Computing kpt #: 18 total cpu time spent up to now is 99.6 secs Computing kpt #: 19 total cpu time spent up to now is 103.1 secs Computing kpt #: 20 total cpu time spent up to now is 106.8 secs Computing kpt #: 21 total cpu time spent up to now is 110.4 secs Computing kpt #: 22 total cpu time spent up to now is 113.9 secs Computing kpt #: 23 total cpu time spent up to now is 117.5 secs Computing kpt #: 24 total cpu time spent up to now is 121.3 secs Computing kpt #: 25 total cpu time spent up to now is 124.8 secs Computing kpt #: 26 total cpu time spent up to now is 128.2 secs Computing kpt #: 27 total cpu time spent up to now is 131.7 secs Computing kpt #: 28 total cpu time spent up to now is 135.6 secs Computing kpt #: 29 total cpu time spent up to now is 139.0 secs Computing kpt #: 30 total cpu time spent up to now is 143.7 secs Computing kpt #: 31 total cpu time spent up to now is 147.3 secs Computing kpt #: 32 total cpu time spent up to now is 150.8 secs Computing kpt #: 33 total cpu time spent up to now is 154.5 secs Computing kpt #: 34 total cpu time spent up to now is 157.9 secs Computing kpt #: 35 total cpu time spent up to now is 161.5 secs Computing kpt #: 36 total cpu time spent up to now is 165.0 secs Computing kpt #: 37 total cpu time spent up to now is 168.5 secs Computing kpt #: 38 total cpu time spent up to now is 172.9 secs Computing kpt #: 39 total cpu time spent up to now is 176.3 secs Computing kpt #: 40 total cpu time spent up to now is 181.1 secs Computing kpt #: 41 total cpu time spent up to now is 184.5 secs Computing kpt #: 42 total cpu time spent up to now is 187.9 secs Computing kpt #: 43 total cpu time spent up to now is 190.9 secs Computing kpt #: 44 total cpu time spent up to now is 194.0 secs Computing kpt #: 45 total cpu time spent up to now is 197.5 secs Computing kpt #: 46 total cpu time spent up to now is 201.2 secs Computing kpt #: 47 total cpu time spent up to now is 205.0 secs Computing kpt #: 48 total cpu time spent up to now is 208.4 secs Computing kpt #: 49 total cpu time spent up to now is 211.9 secs Computing kpt #: 50 total cpu time spent up to now is 216.2 secs Computing kpt #: 51 total cpu time spent up to now is 220.3 secs Computing kpt #: 52 total cpu time spent up to now is 223.8 secs Computing kpt #: 53 total cpu time spent up to now is 227.2 secs Computing kpt #: 54 total cpu time spent up to now is 230.9 secs Computing kpt #: 55 total cpu time spent up to now is 235.0 secs Computing kpt #: 56 total cpu time spent up to now is 238.5 secs Computing kpt #: 57 total cpu time spent up to now is 242.3 secs Computing kpt #: 58 total cpu time spent up to now is 245.4 secs Computing kpt #: 59 total cpu time spent up to now is 248.5 secs Computing kpt #: 60 total cpu time spent up to now is 252.0 secs Computing kpt #: 61 total cpu time spent up to now is 255.1 secs Computing kpt #: 62 total cpu time spent up to now is 258.1 secs Computing kpt #: 63 total cpu time spent up to now is 261.6 secs Computing kpt #: 64 total cpu time spent up to now is 265.8 secs Computing kpt #: 65 total cpu time spent up to now is 268.8 secs Computing kpt #: 66 total cpu time spent up to now is 272.0 secs Computing kpt #: 67 total cpu time spent up to now is 276.2 secs Computing kpt #: 68 total cpu time spent up to now is 279.3 secs Computing kpt #: 69 total cpu time spent up to now is 282.5 secs Computing kpt #: 70 total cpu time spent up to now is 285.6 secs Computing kpt #: 71 total cpu time spent up to now is 288.7 secs Computing kpt #: 72 total cpu time spent up to now is 292.0 secs Computing kpt #: 73 total cpu time spent up to now is 295.4 secs Computing kpt #: 74 total cpu time spent up to now is 298.9 secs Computing kpt #: 75 total cpu time spent up to now is 302.0 secs Computing kpt #: 76 total cpu time spent up to now is 305.4 secs Computing kpt #: 77 total cpu time spent up to now is 309.1 secs Computing kpt #: 78 total cpu time spent up to now is 312.5 secs Computing kpt #: 79 total cpu time spent up to now is 316.2 secs Computing kpt #: 80 total cpu time spent up to now is 319.6 secs Computing kpt #: 81 total cpu time spent up to now is 323.2 secs Computing kpt #: 82 total cpu time spent up to now is 326.8 secs Computing kpt #: 83 total cpu time spent up to now is 331.0 secs Computing kpt #: 84 total cpu time spent up to now is 334.5 secs Computing kpt #: 85 total cpu time spent up to now is 337.9 secs Computing kpt #: 86 total cpu time spent up to now is 341.5 secs Computing kpt #: 87 total cpu time spent up to now is 344.9 secs Computing kpt #: 88 total cpu time spent up to now is 349.0 secs Computing kpt #: 89 total cpu time spent up to now is 352.7 secs Computing kpt #: 90 total cpu time spent up to now is 356.4 secs Computing kpt #: 91 total cpu time spent up to now is 359.5 secs Computing kpt #: 92 total cpu time spent up to now is 363.0 secs Computing kpt #: 93 total cpu time spent up to now is 366.5 secs Computing kpt #: 94 total cpu time spent up to now is 369.5 secs Computing kpt #: 95 total cpu time spent up to now is 372.8 secs Computing kpt #: 96 total cpu time spent up to now is 376.6 secs Computing kpt #: 97 total cpu time spent up to now is 380.5 secs Computing kpt #: 98 total cpu time spent up to now is 384.0 secs Computing kpt #: 99 total cpu time spent up to now is 387.4 secs Computing kpt #: 100 total cpu time spent up to now is 390.3 secs Computing kpt #: 101 total cpu time spent up to now is 393.8 secs Computing kpt #: 102 total cpu time spent up to now is 396.7 secs Computing kpt #: 103 total cpu time spent up to now is 399.6 secs Computing kpt #: 104 total cpu time spent up to now is 402.9 secs Computing kpt #: 105 total cpu time spent up to now is 405.9 secs Computing kpt #: 106 total cpu time spent up to now is 408.8 secs Computing kpt #: 107 total cpu time spent up to now is 411.8 secs Computing kpt #: 108 total cpu time spent up to now is 415.0 secs Computing kpt #: 109 total cpu time spent up to now is 418.0 secs Computing kpt #: 110 total cpu time spent up to now is 420.9 secs Computing kpt #: 111 total cpu time spent up to now is 423.7 secs Computing kpt #: 112 total cpu time spent up to now is 426.9 secs Computing kpt #: 113 total cpu time spent up to now is 430.3 secs Computing kpt #: 114 total cpu time spent up to now is 433.2 secs Computing kpt #: 115 total cpu time spent up to now is 436.0 secs Computing kpt #: 116 total cpu time spent up to now is 439.0 secs Computing kpt #: 117 total cpu time spent up to now is 442.1 secs Computing kpt #: 118 total cpu time spent up to now is 444.9 secs Computing kpt #: 119 total cpu time spent up to now is 448.0 secs Computing kpt #: 120 total cpu time spent up to now is 450.9 secs Computing kpt #: 121 total cpu time spent up to now is 454.2 secs Computing kpt #: 122 total cpu time spent up to now is 457.1 secs Computing kpt #: 123 total cpu time spent up to now is 460.1 secs Computing kpt #: 124 total cpu time spent up to now is 462.9 secs Computing kpt #: 125 total cpu time spent up to now is 465.6 secs Computing kpt #: 126 total cpu time spent up to now is 468.5 secs Computing kpt #: 127 total cpu time spent up to now is 471.5 secs Computing kpt #: 128 total cpu time spent up to now is 474.5 secs Computing kpt #: 129 total cpu time spent up to now is 477.9 secs Computing kpt #: 130 total cpu time spent up to now is 481.2 secs Computing kpt #: 131 total cpu time spent up to now is 484.0 secs Computing kpt #: 132 total cpu time spent up to now is 487.4 secs Computing kpt #: 133 total cpu time spent up to now is 490.3 secs Computing kpt #: 134 total cpu time spent up to now is 493.5 secs Computing kpt #: 135 total cpu time spent up to now is 496.4 secs Computing kpt #: 136 total cpu time spent up to now is 499.3 secs Computing kpt #: 137 total cpu time spent up to now is 502.3 secs Computing kpt #: 138 total cpu time spent up to now is 505.2 secs Computing kpt #: 139 total cpu time spent up to now is 508.3 secs Computing kpt #: 140 total cpu time spent up to now is 511.5 secs Computing kpt #: 141 total cpu time spent up to now is 514.5 secs Computing kpt #: 142 total cpu time spent up to now is 518.2 secs Computing kpt #: 143 total cpu time spent up to now is 521.2 secs Computing kpt #: 144 total cpu time spent up to now is 524.3 secs Computing kpt #: 145 total cpu time spent up to now is 527.2 secs Computing kpt #: 146 total cpu time spent up to now is 530.6 secs Computing kpt #: 147 total cpu time spent up to now is 535.1 secs Computing kpt #: 148 total cpu time spent up to now is 538.1 secs Computing kpt #: 149 total cpu time spent up to now is 541.2 secs Computing kpt #: 150 total cpu time spent up to now is 544.7 secs Computing kpt #: 151 total cpu time spent up to now is 548.1 secs Computing kpt #: 152 total cpu time spent up to now is 552.9 secs Computing kpt #: 153 total cpu time spent up to now is 556.7 secs Computing kpt #: 154 total cpu time spent up to now is 560.7 secs Computing kpt #: 155 total cpu time spent up to now is 564.1 secs Computing kpt #: 156 total cpu time spent up to now is 567.6 secs Computing kpt #: 157 total cpu time spent up to now is 572.4 secs Computing kpt #: 158 total cpu time spent up to now is 575.8 secs Computing kpt #: 159 total cpu time spent up to now is 579.4 secs Computing kpt #: 160 total cpu time spent up to now is 583.0 secs Computing kpt #: 161 total cpu time spent up to now is 587.5 secs Computing kpt #: 162 total cpu time spent up to now is 591.7 secs Computing kpt #: 163 total cpu time spent up to now is 595.1 secs Computing kpt #: 164 total cpu time spent up to now is 598.8 secs Computing kpt #: 165 total cpu time spent up to now is 602.3 secs Computing kpt #: 166 total cpu time spent up to now is 606.0 secs Computing kpt #: 167 total cpu time spent up to now is 609.7 secs Computing kpt #: 168 total cpu time spent up to now is 613.1 secs Computing kpt #: 169 total cpu time spent up to now is 616.8 secs Computing kpt #: 170 total cpu time spent up to now is 620.3 secs Computing kpt #: 171 total cpu time spent up to now is 623.8 secs Computing kpt #: 172 total cpu time spent up to now is 627.9 secs Computing kpt #: 173 total cpu time spent up to now is 631.4 secs Computing kpt #: 174 total cpu time spent up to now is 634.8 secs Computing kpt #: 175 total cpu time spent up to now is 638.2 secs Computing kpt #: 176 total cpu time spent up to now is 641.7 secs Computing kpt #: 177 total cpu time spent up to now is 645.2 secs Computing kpt #: 178 total cpu time spent up to now is 649.2 secs Computing kpt #: 179 total cpu time spent up to now is 652.6 secs Computing kpt #: 180 total cpu time spent up to now is 656.3 secs Computing kpt #: 181 total cpu time spent up to now is 660.2 secs Computing kpt #: 182 total cpu time spent up to now is 663.6 secs Computing kpt #: 183 total cpu time spent up to now is 667.1 secs Computing kpt #: 184 total cpu time spent up to now is 670.9 secs Computing kpt #: 185 total cpu time spent up to now is 674.0 secs Computing kpt #: 186 total cpu time spent up to now is 677.3 secs Computing kpt #: 187 total cpu time spent up to now is 680.8 secs Computing kpt #: 188 total cpu time spent up to now is 684.0 secs Computing kpt #: 189 total cpu time spent up to now is 688.2 secs Computing kpt #: 190 total cpu time spent up to now is 691.2 secs Computing kpt #: 191 total cpu time spent up to now is 694.9 secs Computing kpt #: 192 total cpu time spent up to now is 698.3 secs Computing kpt #: 193 total cpu time spent up to now is 701.3 secs Computing kpt #: 194 total cpu time spent up to now is 704.5 secs Computing kpt #: 195 total cpu time spent up to now is 708.0 secs Computing kpt #: 196 total cpu time spent up to now is 711.1 secs Computing kpt #: 197 total cpu time spent up to now is 714.1 secs Computing kpt #: 198 total cpu time spent up to now is 718.0 secs Computing kpt #: 199 total cpu time spent up to now is 721.7 secs Computing kpt #: 200 total cpu time spent up to now is 725.3 secs Computing kpt #: 201 total cpu time spent up to now is 728.3 secs Computing kpt #: 202 total cpu time spent up to now is 731.4 secs Computing kpt #: 203 total cpu time spent up to now is 734.5 secs Computing kpt #: 204 total cpu time spent up to now is 738.4 secs Computing kpt #: 205 total cpu time spent up to now is 741.5 secs Computing kpt #: 206 total cpu time spent up to now is 744.7 secs Computing kpt #: 207 total cpu time spent up to now is 747.8 secs Computing kpt #: 208 total cpu time spent up to now is 750.9 secs Computing kpt #: 209 total cpu time spent up to now is 754.5 secs Computing kpt #: 210 total cpu time spent up to now is 757.8 secs Computing kpt #: 211 total cpu time spent up to now is 760.9 secs Computing kpt #: 212 total cpu time spent up to now is 764.4 secs Computing kpt #: 213 total cpu time spent up to now is 768.8 secs Computing kpt #: 214 total cpu time spent up to now is 772.1 secs Computing kpt #: 215 total cpu time spent up to now is 775.4 secs Computing kpt #: 216 total cpu time spent up to now is 778.6 secs Computing kpt #: 217 total cpu time spent up to now is 781.9 secs Computing kpt #: 218 total cpu time spent up to now is 785.2 secs Computing kpt #: 219 total cpu time spent up to now is 788.6 secs Computing kpt #: 220 total cpu time spent up to now is 792.2 secs Computing kpt #: 221 total cpu time spent up to now is 795.2 secs Computing kpt #: 222 total cpu time spent up to now is 798.2 secs Computing kpt #: 223 total cpu time spent up to now is 801.9 secs Computing kpt #: 224 total cpu time spent up to now is 805.2 secs Computing kpt #: 225 total cpu time spent up to now is 808.6 secs Computing kpt #: 226 total cpu time spent up to now is 812.2 secs Computing kpt #: 227 total cpu time spent up to now is 815.2 secs Computing kpt #: 228 total cpu time spent up to now is 819.1 secs Computing kpt #: 229 total cpu time spent up to now is 822.0 secs Computing kpt #: 230 total cpu time spent up to now is 825.6 secs Computing kpt #: 231 total cpu time spent up to now is 829.7 secs Computing kpt #: 232 total cpu time spent up to now is 833.0 secs Computing kpt #: 233 total cpu time spent up to now is 836.5 secs Computing kpt #: 234 total cpu time spent up to now is 839.3 secs Computing kpt #: 235 total cpu time spent up to now is 842.4 secs Computing kpt #: 236 total cpu time spent up to now is 846.3 secs Computing kpt #: 237 total cpu time spent up to now is 849.1 secs Computing kpt #: 238 total cpu time spent up to now is 852.6 secs Computing kpt #: 239 total cpu time spent up to now is 857.1 secs Computing kpt #: 240 total cpu time spent up to now is 860.5 secs Computing kpt #: 241 total cpu time spent up to now is 864.7 secs Computing kpt #: 242 total cpu time spent up to now is 868.2 secs Computing kpt #: 243 total cpu time spent up to now is 871.8 secs Computing kpt #: 244 total cpu time spent up to now is 875.2 secs Computing kpt #: 245 total cpu time spent up to now is 879.4 secs Computing kpt #: 246 total cpu time spent up to now is 883.7 secs Computing kpt #: 247 total cpu time spent up to now is 887.1 secs Computing kpt #: 248 total cpu time spent up to now is 890.5 secs Computing kpt #: 249 total cpu time spent up to now is 894.2 secs Computing kpt #: 250 total cpu time spent up to now is 897.9 secs Computing kpt #: 251 total cpu time spent up to now is 901.1 secs Computing kpt #: 252 total cpu time spent up to now is 904.1 secs Computing kpt #: 253 total cpu time spent up to now is 907.8 secs Computing kpt #: 254 total cpu time spent up to now is 911.2 secs Computing kpt #: 255 total cpu time spent up to now is 914.4 secs Computing kpt #: 256 total cpu time spent up to now is 917.4 secs Computing kpt #: 257 total cpu time spent up to now is 920.4 secs Computing kpt #: 258 total cpu time spent up to now is 923.9 secs Computing kpt #: 259 total cpu time spent up to now is 929.1 secs Computing kpt #: 260 total cpu time spent up to now is 933.1 secs Computing kpt #: 261 total cpu time spent up to now is 936.2 secs Computing kpt #: 262 total cpu time spent up to now is 939.8 secs Computing kpt #: 263 total cpu time spent up to now is 943.1 secs ethr = 1.79E-11, avg # of iterations = 19.9 total cpu time spent up to now is 943.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9261 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3314 -8.3314 -8.1544 -8.1544 -7.8362 -7.8362 -7.5988 -7.5988 -2.9319 -2.9319 -2.7394 -2.7394 1.5772 1.5772 2.1117 2.1117 2.2114 2.2114 2.5713 2.5713 2.6183 2.6183 3.0317 3.0317 3.0587 3.0587 3.2300 3.2300 3.2466 3.2466 3.4268 3.4268 3.4392 3.4392 4.0609 4.0609 5.4851 5.4851 5.6316 5.6316 6.9509 6.9509 7.0971 7.0971 7.6471 7.6471 7.7541 7.7541 k = 0.0125 0.0072-0.0000 ( 9261 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9891 -10.9891 -10.9891 -10.9891 -10.9815 -10.9815 -10.9814 -10.9814 -8.3307 -8.3307 -8.1538 -8.1538 -7.8357 -7.8357 -7.5984 -7.5984 -2.9322 -2.9322 -2.7404 -2.7403 1.5773 1.5775 2.1011 2.1060 2.2097 2.2150 2.5657 2.5684 2.6166 2.6180 3.0168 3.0184 3.0623 3.0626 3.2380 3.2384 3.2450 3.2455 3.4196 3.4211 3.4436 3.4450 4.0562 4.0600 5.4896 5.4938 5.6340 5.6361 6.9543 6.9544 7.0987 7.0990 7.6482 7.6482 7.7521 7.7521 k = 0.0250 0.0144-0.0000 ( 9243 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9892 -10.9892 -10.9892 -10.9892 -10.9814 -10.9814 -10.9814 -10.9814 -8.3285 -8.3285 -8.1518 -8.1518 -7.8342 -7.8342 -7.5973 -7.5973 -2.9333 -2.9332 -2.7431 -2.7431 1.5778 1.5782 2.0772 2.0846 2.2092 2.2173 2.5520 2.5570 2.6129 2.6154 2.9871 2.9908 3.0642 3.0658 3.2256 3.2258 3.2725 3.2739 3.4055 3.4063 3.4521 3.4570 4.0461 4.0534 5.5072 5.5153 5.6432 5.6472 6.9644 6.9648 7.1037 7.1043 7.6515 7.6515 7.7463 7.7463 k = 0.0375 0.0217-0.0000 ( 9225 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0024 -11.0024 -11.0024 -11.0024 -10.9894 -10.9894 -10.9894 -10.9894 -10.9814 -10.9814 -10.9813 -10.9813 -8.3250 -8.3250 -8.1486 -8.1486 -7.8317 -7.8317 -7.5955 -7.5955 -2.9350 -2.9350 -2.7478 -2.7477 1.5786 1.5792 2.0437 2.0514 2.2069 2.2153 2.5307 2.5374 2.6068 2.6099 2.9534 2.9595 3.0623 3.0663 3.2038 3.2041 3.3087 3.3113 3.3856 3.3869 3.4635 3.4729 4.0315 4.0418 5.5367 5.5482 5.6589 5.6645 6.9814 6.9818 7.1121 7.1128 7.6569 7.6570 7.7377 7.7377 k = 0.0500 0.0289-0.0000 ( 9237 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0025 -11.0025 -11.0025 -11.0025 -10.9896 -10.9896 -10.9896 -10.9896 -10.9813 -10.9813 -10.9813 -10.9813 -8.3200 -8.3200 -8.1440 -8.1440 -7.8282 -7.8282 -7.5929 -7.5929 -2.9375 -2.9375 -2.7542 -2.7541 1.5797 1.5805 2.0028 2.0096 2.2004 2.2074 2.5022 2.5100 2.5982 2.6014 2.9195 2.9289 3.0567 3.0647 3.1768 3.1785 3.3326 3.3331 3.3712 3.3792 3.4784 3.4929 4.0131 4.0257 5.5764 5.5902 5.6809 5.6874 7.0049 7.0054 7.1238 7.1244 7.6646 7.6647 7.7274 7.7274 k = 0.0625 0.0361-0.0000 ( 9245 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0026 -11.0026 -11.0026 -11.0026 -10.9899 -10.9899 -10.9899 -10.9899 -10.9812 -10.9812 -10.9812 -10.9812 -8.3137 -8.3137 -8.1382 -8.1382 -7.8238 -7.8238 -7.5897 -7.5897 -2.9408 -2.9407 -2.7624 -2.7623 1.5810 1.5819 1.9560 1.9613 2.1886 2.1932 2.4672 2.4755 2.5870 2.5896 2.8867 2.9003 3.0466 3.0608 3.1473 3.1515 3.3094 3.3110 3.3934 3.4053 3.4992 3.5184 3.9921 4.0062 5.6239 5.6380 5.7097 5.7152 7.0348 7.0350 7.1388 7.1389 7.6743 7.6744 7.7170 7.7174 k = 0.0750 0.0433-0.0000 ( 9251 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0028 -11.0028 -11.0028 -11.0028 -10.9903 -10.9903 -10.9902 -10.9902 -10.9811 -10.9811 -10.9810 -10.9810 -8.3060 -8.3060 -8.1311 -8.1311 -7.8184 -7.8184 -7.5858 -7.5858 -2.9448 -2.9447 -2.7725 -2.7723 1.5822 1.5831 1.9047 1.9083 2.1710 2.1726 2.4264 2.4345 2.5733 2.5746 2.8550 2.8742 3.0305 3.0535 3.1182 3.1260 3.2705 3.2752 3.4182 3.4307 3.5291 3.5503 3.9692 3.9839 5.6764 5.6862 5.7477 5.7478 7.0698 7.0705 7.1559 7.1576 7.6847 7.6862 7.7085 7.7105 k = 0.0875 0.0505-0.0000 ( 9255 PWs) bands (ev): -13.5525 -13.5525 -13.5524 -13.5524 -13.5485 -13.5485 -13.5485 -13.5485 -11.0030 -11.0030 -11.0030 -11.0030 -10.9906 -10.9906 -10.9906 -10.9906 -10.9809 -10.9809 -10.9809 -10.9809 -8.2969 -8.2969 -8.1228 -8.1228 -7.8122 -7.8121 -7.5813 -7.5813 -2.9497 -2.9496 -2.7843 -2.7841 1.5830 1.5838 1.8504 1.8518 2.1456 2.1477 2.3812 2.3882 2.5561 2.5572 2.8241 2.8499 3.0073 3.0395 3.0937 3.1035 3.2269 3.2358 3.4356 3.4468 3.5669 3.5870 3.9454 3.9596 5.7290 5.7297 5.7863 5.7978 7.1080 7.1111 7.1759 7.1812 7.6911 7.6968 7.7065 7.7132 k = 0.1000 0.0577-0.0000 ( 9257 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0034 -11.0033 -11.0033 -11.0033 -10.9910 -10.9910 -10.9910 -10.9910 -10.9807 -10.9807 -10.9807 -10.9807 -8.2865 -8.2865 -8.1133 -8.1133 -7.8050 -7.8050 -7.5762 -7.5762 -2.9554 -2.9553 -2.7977 -2.7975 1.5828 1.5832 1.7934 1.7944 2.1122 2.1188 2.3330 2.3376 2.5341 2.5386 2.7934 2.8268 2.9779 3.0160 3.0774 3.0836 3.1812 3.1958 3.4464 3.4562 3.6075 3.6251 3.9215 3.9341 5.7659 5.7780 5.8338 5.8578 7.1461 7.1538 7.2005 7.2124 7.6931 7.6983 7.7202 7.7273 k = 0.1125 0.0650-0.0000 ( 9257 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0038 -11.0037 -11.0037 -11.0037 -10.9914 -10.9914 -10.9914 -10.9914 -10.9806 -10.9805 -10.9805 -10.9805 -8.2748 -8.2748 -8.1026 -8.1026 -7.7971 -7.7970 -7.5706 -7.5706 -2.9620 -2.9619 -2.8129 -2.8126 1.5796 1.5802 1.7352 1.7394 2.0724 2.0845 2.2831 2.2837 2.5087 2.5176 2.7628 2.8041 2.9445 2.9858 3.0639 3.0661 3.1356 3.1576 3.4520 3.4612 3.6469 3.6607 3.8989 3.9079 5.7996 5.8190 5.8902 5.9228 7.1797 7.1913 7.2359 7.2547 7.6980 7.7021 7.7393 7.7467 k = 0.1250 0.0722-0.0000 ( 9253 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5487 -13.5487 -13.5487 -13.5487 -11.0043 -11.0043 -11.0042 -11.0042 -10.9918 -10.9917 -10.9917 -10.9917 -10.9803 -10.9803 -10.9803 -10.9803 -8.2618 -8.2618 -8.0908 -8.0908 -7.7884 -7.7883 -7.5644 -7.5644 -2.9695 -2.9694 -2.8296 -2.8294 1.5686 1.5715 1.6813 1.6901 2.0266 2.0453 2.2275 2.2328 2.4798 2.4941 2.7322 2.7809 2.9092 2.9528 3.0422 3.0533 3.0944 3.1234 3.4535 3.4633 3.6822 3.6901 3.8798 3.8823 5.8315 5.8552 5.9507 5.9895 7.2086 7.2190 7.2857 7.3076 7.7087 7.7111 7.7612 7.7691 k = 0.1375 0.0794-0.0000 ( 9250 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0049 -11.0049 -11.0048 -11.0048 -10.9921 -10.9921 -10.9920 -10.9920 -10.9801 -10.9801 -10.9801 -10.9801 -8.2475 -8.2475 -8.0779 -8.0779 -7.7789 -7.7789 -7.5579 -7.5578 -2.9781 -2.9779 -2.8479 -2.8476 1.5425 1.5475 1.6412 1.6547 1.9752 2.0018 2.1698 2.1827 2.4478 2.4681 2.7017 2.7568 2.8734 2.9185 3.0175 3.0277 3.0685 3.0943 3.4512 3.4630 3.7091 3.7105 3.8591 3.8673 5.8619 5.8889 6.0120 6.0560 7.2352 7.2420 7.3435 7.3676 7.7255 7.7260 7.7858 7.7940 k = 0.1500 0.0866-0.0000 ( 9256 PWs) bands (ev): -13.5525 -13.5525 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0057 -11.0056 -11.0056 -11.0055 -10.9923 -10.9923 -10.9923 -10.9923 -10.9798 -10.9798 -10.9798 -10.9798 -8.2321 -8.2321 -8.0640 -8.0639 -7.7688 -7.7687 -7.5509 -7.5509 -2.9876 -2.9874 -2.8677 -2.8673 1.4985 1.5025 1.6205 1.6359 1.9194 1.9550 2.1113 2.1332 2.4131 2.4397 2.6716 2.7312 2.8381 2.8835 2.9903 2.9906 3.0568 3.0696 3.4454 3.4605 3.7142 3.7279 3.8417 3.8643 5.8911 5.9207 6.0718 6.1211 7.2613 7.2634 7.4050 7.4320 7.7447 7.7499 7.8132 7.8210 k = 0.1625 0.0938-0.0000 ( 9262 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0066 -11.0065 -11.0064 -11.0064 -10.9926 -10.9925 -10.9925 -10.9925 -10.9795 -10.9795 -10.9795 -10.9795 -8.2156 -8.2156 -8.0490 -8.0490 -7.7581 -7.7580 -7.5436 -7.5436 -2.9982 -2.9980 -2.8888 -2.8884 1.4445 1.4464 1.6091 1.6256 1.8608 1.9062 2.0527 2.0843 2.3765 2.4093 2.6419 2.7037 2.8043 2.8485 2.9522 2.9633 3.0476 3.0486 3.4360 3.4558 3.7065 3.7298 3.8347 3.8696 5.9191 5.9512 6.1293 6.1840 7.2839 7.2878 7.4679 7.4988 7.7676 7.7800 7.8436 7.8497 k = 0.1750 0.1010-0.0000 ( 9246 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0075 -11.0075 -11.0073 -11.0073 -10.9927 -10.9927 -10.9927 -10.9927 -10.9792 -10.9792 -10.9792 -10.9792 -8.1979 -8.1979 -8.0332 -8.0331 -7.7469 -7.7468 -7.5361 -7.5361 -3.0100 -3.0096 -2.9112 -2.9108 1.3868 1.3871 1.5979 1.6159 1.8022 1.8575 1.9945 2.0358 2.3386 2.3771 2.6123 2.6740 2.7728 2.8142 2.9158 2.9367 3.0269 3.0412 3.4232 3.4490 3.6910 3.7174 3.8368 3.8783 5.9463 5.9806 6.1835 6.2441 7.3039 7.3149 7.5306 7.5660 7.7933 7.8157 7.8768 7.8799 k = 0.1875 0.1083-0.0000 ( 9246 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5489 -13.5489 -13.5489 -13.5489 -11.0086 -11.0086 -11.0084 -11.0083 -10.9928 -10.9928 -10.9928 -10.9928 -10.9789 -10.9789 -10.9788 -10.9788 -8.1792 -8.1792 -8.0164 -8.0164 -7.7352 -7.7351 -7.5284 -7.5283 -3.0228 -3.0224 -2.9348 -2.9343 1.3268 1.3290 1.5823 1.6006 1.7480 1.8112 1.9377 1.9876 2.3004 2.3436 2.5828 2.6420 2.7440 2.7812 2.8815 2.9109 3.0069 3.0337 3.4069 3.4400 3.6721 3.6977 3.8413 3.8861 5.9729 6.0092 6.2341 6.3008 7.3235 7.3427 7.5913 7.6316 7.8211 7.8561 7.9111 7.9128 k = 0.2000 0.1155-0.0000 ( 9242 PWs) bands (ev): -13.5527 -13.5527 -13.5527 -13.5527 -13.5489 -13.5489 -13.5489 -13.5489 -11.0098 -11.0097 -11.0095 -11.0095 -10.9929 -10.9929 -10.9929 -10.9928 -10.9785 -10.9785 -10.9785 -10.9785 -8.1596 -8.1596 -7.9989 -7.9988 -7.7232 -7.7230 -7.5206 -7.5205 -3.0368 -3.0363 -2.9594 -2.9588 1.2675 1.2715 1.5585 1.5723 1.7051 1.7697 1.8835 1.9399 2.2628 2.3090 2.5532 2.6083 2.7180 2.7505 2.8489 2.8858 2.9875 3.0259 3.3873 3.4287 3.6523 3.6757 3.8437 3.8907 5.9990 6.0373 6.2809 6.3540 7.3426 7.3710 7.6487 7.6933 7.8512 7.8997 7.9432 7.9510 k = 0.2125 0.1227-0.0000 ( 9232 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5528 -13.5489 -13.5489 -13.5489 -13.5489 -11.0110 -11.0110 -11.0107 -11.0107 -10.9929 -10.9929 -10.9929 -10.9929 -10.9781 -10.9781 -10.9781 -10.9781 -8.1390 -8.1390 -7.9806 -7.9805 -7.7108 -7.7107 -7.5127 -7.5127 -3.0519 -3.0514 -2.9849 -2.9842 1.2096 1.2154 1.5245 1.5270 1.6772 1.7334 1.8344 1.8931 2.2265 2.2739 2.5234 2.5734 2.6944 2.7222 2.8178 2.8605 2.9689 3.0179 3.3650 3.4154 3.6329 3.6537 3.8421 3.8910 6.0249 6.0651 6.3236 6.4035 7.3612 7.3997 7.7015 7.7482 7.8841 7.9446 7.9766 7.9907 k = 0.2250 0.1299-0.0000 ( 9236 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -13.5489 -13.5489 -13.5489 -13.5489 -11.0123 -11.0123 -11.0120 -11.0119 -10.9929 -10.9929 -10.9929 -10.9929 -10.9777 -10.9777 -10.9777 -10.9777 -8.1176 -8.1176 -7.9617 -7.9616 -7.6982 -7.6981 -7.5049 -7.5049 -3.0682 -3.0676 -3.0111 -3.0103 1.1535 1.1611 1.4699 1.4808 1.6589 1.6983 1.7945 1.8480 2.1921 2.2384 2.4935 2.5382 2.6726 2.6964 2.7880 2.8343 2.9517 3.0095 3.3405 3.4002 3.6144 3.6328 3.8358 3.8867 6.0507 6.0928 6.3622 6.4491 7.3791 7.4282 7.7490 7.7941 7.9204 7.9861 8.0137 8.0312 k = 0.2375 0.1371-0.0000 ( 9234 PWs) bands (ev): -13.5531 -13.5531 -13.5531 -13.5531 -13.5488 -13.5488 -13.5488 -13.5488 -11.0137 -11.0136 -11.0133 -11.0133 -10.9929 -10.9929 -10.9929 -10.9929 -10.9773 -10.9773 -10.9773 -10.9773 -8.0955 -8.0955 -7.9423 -7.9422 -7.6855 -7.6854 -7.4973 -7.4973 -3.0857 -3.0849 -3.0378 -3.0369 1.0993 1.1089 1.4076 1.4303 1.6428 1.6590 1.7673 1.8058 2.1603 2.2031 2.4638 2.5033 2.6521 2.6726 2.7594 2.8068 2.9363 3.0007 3.3146 3.3835 3.5969 3.6133 3.8248 3.8778 6.0764 6.1203 6.3968 6.4908 7.3962 7.4563 7.7911 7.8304 7.9589 8.0199 8.0567 8.0715 k = 0.2500 0.1443-0.0000 ( 9228 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5488 -13.5488 -13.5488 -13.5488 -11.0150 -11.0150 -11.0147 -11.0146 -10.9929 -10.9929 -10.9928 -10.9928 -10.9769 -10.9769 -10.9769 -10.9768 -8.0727 -8.0726 -7.9223 -7.9222 -7.6728 -7.6726 -7.4899 -7.4898 -3.1043 -3.1034 -3.0649 -3.0638 1.0473 1.0590 1.3438 1.3757 1.6150 1.6246 1.7510 1.7679 2.1313 2.1681 2.4345 2.4692 2.6323 2.6503 2.7323 2.7776 2.9231 2.9918 3.2881 3.3659 3.5802 3.5954 3.8094 3.8647 6.1019 6.1477 6.4274 6.5285 7.4125 7.4834 7.8280 7.8590 7.9972 8.0478 8.1016 8.1109 k = 0.2625 0.1516-0.0000 ( 9232 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5487 -13.5487 -13.5487 -13.5487 -11.0164 -11.0163 -11.0160 -11.0160 -10.9928 -10.9928 -10.9928 -10.9928 -10.9764 -10.9764 -10.9764 -10.9764 -8.0493 -8.0493 -7.9020 -7.9019 -7.6601 -7.6599 -7.4828 -7.4827 -3.1242 -3.1231 -3.0919 -3.0907 0.9974 1.0113 1.2801 1.3194 1.5693 1.6019 1.7356 1.7412 2.1055 2.1338 2.4059 2.4363 2.6127 2.6284 2.7068 2.7469 2.9123 2.9828 3.2620 3.3478 3.5641 3.5787 3.7900 3.8479 6.1271 6.1748 6.4544 6.5623 7.4277 7.5091 7.8599 7.8820 8.0323 8.0717 8.1448 8.1484 k = 0.2750 0.1588-0.0000 ( 9236 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5535 -13.5486 -13.5486 -13.5486 -13.5486 -11.0178 -11.0177 -11.0174 -11.0173 -10.9928 -10.9928 -10.9927 -10.9927 -10.9760 -10.9760 -10.9760 -10.9760 -8.0254 -8.0254 -7.8815 -7.8814 -7.6475 -7.6473 -7.4760 -7.4760 -3.1452 -3.1440 -3.1187 -3.1172 0.9498 0.9660 1.2176 1.2628 1.5242 1.5742 1.7089 1.7345 2.0831 2.1005 2.3784 2.4049 2.5926 2.6059 2.6834 2.7152 2.9040 2.9740 3.2368 3.3297 3.5485 3.5632 3.7671 3.8277 6.1518 6.2015 6.4777 6.5923 7.4420 7.5331 7.8874 7.9011 8.0628 8.0919 8.1832 8.1843 k = 0.2875 0.1660-0.0000 ( 9232 PWs) bands (ev): -13.5538 -13.5538 -13.5537 -13.5537 -13.5486 -13.5486 -13.5485 -13.5485 -11.0192 -11.0191 -11.0188 -11.0187 -10.9927 -10.9927 -10.9927 -10.9927 -10.9755 -10.9755 -10.9755 -10.9755 -8.0012 -8.0012 -7.8608 -7.8607 -7.6352 -7.6350 -7.4698 -7.4697 -3.1676 -3.1661 -3.1447 -3.1431 0.9044 0.9231 1.1570 1.2070 1.4811 1.5431 1.6863 1.7292 2.0641 2.0686 2.3521 2.3752 2.5712 2.5823 2.6623 2.6835 2.8981 2.9656 3.2131 3.3121 3.5331 3.5485 3.7414 3.8048 6.1759 6.2276 6.4978 6.6184 7.4552 7.5551 7.9109 7.9175 8.0880 8.1085 8.2143 8.2193 k = 0.3000 0.1732-0.0000 ( 9224 PWs) bands (ev): -13.5540 -13.5539 -13.5539 -13.5539 -13.5485 -13.5485 -13.5485 -13.5484 -11.0205 -11.0205 -11.0201 -11.0201 -10.9927 -10.9927 -10.9926 -10.9926 -10.9751 -10.9751 -10.9751 -10.9751 -7.9768 -7.9767 -7.8401 -7.8400 -7.6233 -7.6231 -7.4641 -7.4640 -3.1911 -3.1896 -3.1697 -3.1681 0.8612 0.8824 1.0988 1.1524 1.4408 1.5107 1.6659 1.7240 2.0384 2.0484 2.3271 2.3474 2.5474 2.5573 2.6434 2.6532 2.8944 2.9582 3.1915 3.2954 3.5178 3.5343 3.7133 3.7797 6.1991 6.2528 6.5149 6.6410 7.4674 7.5746 7.9307 7.9318 8.1078 8.1217 8.2414 8.2492 k = 0.3125 0.1804-0.0000 ( 9236 PWs) bands (ev): -13.5541 -13.5541 -13.5541 -13.5541 -13.5484 -13.5484 -13.5484 -13.5484 -11.0219 -11.0218 -11.0214 -11.0214 -10.9926 -10.9926 -10.9925 -10.9925 -10.9746 -10.9746 -10.9746 -10.9746 -7.9522 -7.9522 -7.8195 -7.8193 -7.6117 -7.6115 -7.4589 -7.4589 -3.2154 -3.2140 -3.1937 -3.1921 0.8203 0.8438 1.0434 1.0998 1.4040 1.4789 1.6462 1.7179 2.0105 2.0359 2.3034 2.3216 2.5202 2.5311 2.6254 2.6259 2.8929 2.9519 3.1720 3.2798 3.5025 3.5206 3.6835 3.7530 6.2213 6.2770 6.5293 6.6600 7.4787 7.5916 7.9446 7.9473 8.1226 8.1317 8.2643 8.2742 k = 0.3250 0.1876-0.0000 ( 9224 PWs) bands (ev): -13.5543 -13.5543 -13.5543 -13.5543 -13.5483 -13.5483 -13.5483 -13.5483 -11.0232 -11.0231 -11.0227 -11.0227 -10.9925 -10.9925 -10.9925 -10.9925 -10.9742 -10.9742 -10.9742 -10.9742 -7.9276 -7.9276 -7.7990 -7.7989 -7.6007 -7.6005 -7.4545 -7.4544 -3.2399 -3.2387 -3.2168 -3.2155 0.7814 0.8072 0.9911 1.0495 1.3710 1.4490 1.6265 1.7105 1.9853 2.0261 2.2810 2.2980 2.4895 2.5045 2.6009 2.6094 2.8934 2.9473 3.1549 3.2655 3.4871 3.5070 3.6525 3.7252 6.2423 6.2999 6.5414 6.6757 7.4891 7.6058 7.9562 7.9611 8.1328 8.1387 8.2832 8.2946 k = 0.3375 0.1949-0.0000 ( 9220 PWs) bands (ev): -13.5545 -13.5545 -13.5545 -13.5545 -13.5482 -13.5482 -13.5482 -13.5482 -11.0244 -11.0243 -11.0240 -11.0239 -10.9925 -10.9925 -10.9924 -10.9924 -10.9738 -10.9738 -10.9738 -10.9738 -7.9032 -7.9032 -7.7790 -7.7788 -7.5903 -7.5901 -7.4508 -7.4507 -3.2642 -3.2632 -3.2394 -3.2382 0.7448 0.7725 0.9423 1.0016 1.3420 1.4218 1.6064 1.7010 1.9633 2.0187 2.2597 2.2766 2.4560 2.4779 2.5796 2.5933 2.8957 2.9445 3.1402 3.2526 3.4715 3.4933 3.6210 3.6968 6.2621 6.3212 6.5516 6.6883 7.4988 7.6173 7.9668 7.9723 8.1389 8.1431 8.2985 8.3107 k = 0.3500 0.2021-0.0000 ( 9214 PWs) bands (ev): -13.5547 -13.5547 -13.5546 -13.5546 -13.5481 -13.5481 -13.5481 -13.5481 -11.0256 -11.0255 -11.0251 -11.0251 -10.9924 -10.9924 -10.9924 -10.9924 -10.9734 -10.9734 -10.9734 -10.9734 -7.8791 -7.8791 -7.7594 -7.7592 -7.5807 -7.5804 -7.4479 -7.4478 -3.2878 -3.2869 -3.2614 -3.2604 0.7103 0.7394 0.8972 0.9566 1.3174 1.3980 1.5858 1.6890 1.9449 2.0132 2.2395 2.2571 2.4208 2.4521 2.5608 2.5772 2.8996 2.9437 3.1279 3.2413 3.4559 3.4793 3.5897 3.6683 6.2805 6.3409 6.5603 6.6979 7.5078 7.6262 7.9766 7.9813 8.1413 8.1452 8.3107 8.3232 k = 0.3625 0.2093-0.0000 ( 9218 PWs) bands (ev): -13.5548 -13.5548 -13.5548 -13.5548 -13.5480 -13.5480 -13.5480 -13.5480 -11.0267 -11.0266 -11.0262 -11.0262 -10.9924 -10.9924 -10.9923 -10.9923 -10.9730 -10.9730 -10.9730 -10.9730 -7.8554 -7.8554 -7.7404 -7.7403 -7.5718 -7.5715 -7.4457 -7.4456 -3.3103 -3.3095 -3.2828 -3.2819 0.6781 0.7080 0.8561 0.9144 1.2970 1.3779 1.5648 1.6743 1.9304 2.0093 2.2199 2.2394 2.3858 2.4278 2.5439 2.5610 2.9048 2.9448 3.1179 3.2317 3.4400 3.4645 3.5595 3.6402 6.2975 6.3585 6.5680 6.7048 7.5163 7.6325 7.9857 7.9885 8.1408 8.1454 8.3203 8.3326 k = 0.3750 0.2165-0.0000 ( 9214 PWs) bands (ev): -13.5550 -13.5550 -13.5550 -13.5550 -13.5479 -13.5479 -13.5479 -13.5479 -11.0277 -11.0277 -11.0273 -11.0272 -10.9923 -10.9923 -10.9923 -10.9922 -10.9726 -10.9726 -10.9726 -10.9726 -7.8324 -7.8324 -7.7222 -7.7221 -7.5637 -7.5635 -7.4444 -7.4443 -3.3314 -3.3308 -3.3035 -3.3027 0.6482 0.6782 0.8190 0.8753 1.2809 1.3616 1.5436 1.6570 1.9199 2.0066 2.2009 2.2226 2.3525 2.4054 2.5283 2.5446 2.9112 2.9477 3.1102 3.2237 3.4240 3.4481 3.5315 3.6128 6.3132 6.3741 6.5751 6.7092 7.5244 7.6365 7.9940 7.9942 8.1380 8.1441 8.3279 8.3397 k = 0.3875 0.2237-0.0000 ( 9214 PWs) bands (ev): -13.5552 -13.5551 -13.5551 -13.5551 -13.5479 -13.5479 -13.5479 -13.5479 -11.0287 -11.0286 -11.0283 -11.0282 -10.9923 -10.9923 -10.9922 -10.9922 -10.9723 -10.9723 -10.9723 -10.9723 -7.8103 -7.8102 -7.7050 -7.7048 -7.5566 -7.5563 -7.4438 -7.4437 -3.3510 -3.3504 -3.3232 -3.3225 0.6208 0.6500 0.7862 0.8393 1.2690 1.3491 1.5224 1.6374 1.9131 2.0048 2.1822 2.2054 2.3230 2.3856 2.5137 2.5282 2.9184 2.9520 3.1051 3.2175 3.4078 3.4293 3.5070 3.5865 6.3275 6.3873 6.5820 6.7114 7.5321 7.6384 7.9985 8.0016 8.1334 8.1415 8.3339 8.3448 k = 0.4000 0.2309-0.0000 ( 9206 PWs) bands (ev): -13.5553 -13.5553 -13.5552 -13.5552 -13.5478 -13.5478 -13.5478 -13.5478 -11.0296 -11.0295 -11.0291 -11.0291 -10.9922 -10.9922 -10.9922 -10.9922 -10.9720 -10.9720 -10.9719 -10.9719 -7.7891 -7.7891 -7.6888 -7.6886 -7.5505 -7.5502 -7.4440 -7.4439 -3.3688 -3.3682 -3.3418 -3.3412 0.5960 0.6236 0.7576 0.8065 1.2612 1.3404 1.5015 1.6160 1.9098 2.0038 2.1637 2.1863 2.2996 2.3685 2.5000 2.5120 2.9261 2.9572 3.1025 3.2132 3.3914 3.4074 3.4870 3.5617 6.3406 6.3981 6.5890 6.7114 7.5397 7.6384 8.0020 8.0083 8.1278 8.1381 8.3386 8.3484 k = 0.4125 0.2382-0.0000 ( 9224 PWs) bands (ev): -13.5554 -13.5554 -13.5554 -13.5554 -13.5477 -13.5477 -13.5477 -13.5477 -11.0303 -11.0303 -11.0299 -11.0299 -10.9922 -10.9922 -10.9921 -10.9921 -10.9717 -10.9717 -10.9717 -10.9717 -7.7693 -7.7693 -7.6739 -7.6737 -7.5453 -7.5450 -7.4448 -7.4447 -3.3846 -3.3841 -3.3590 -3.3585 0.5738 0.5992 0.7331 0.7771 1.2572 1.3352 1.4812 1.5932 1.9097 2.0034 2.1454 2.1640 2.2836 2.3543 2.4872 2.4962 2.9340 2.9627 3.1029 3.2107 3.3750 3.3828 3.4716 3.5388 6.3525 6.4064 6.5966 6.7097 7.5471 7.6368 8.0048 8.0140 8.1217 8.1340 8.3423 8.3509 k = 0.4250 0.2454-0.0000 ( 9224 PWs) bands (ev): -13.5555 -13.5555 -13.5555 -13.5555 -13.5477 -13.5477 -13.5477 -13.5477 -11.0310 -11.0310 -11.0306 -11.0306 -10.9922 -10.9922 -10.9921 -10.9921 -10.9714 -10.9714 -10.9714 -10.9714 -7.7511 -7.7511 -7.6604 -7.6602 -7.5411 -7.5408 -7.4462 -7.4461 -3.3984 -3.3979 -3.3748 -3.3743 0.5546 0.5772 0.7125 0.7511 1.2567 1.3328 1.4621 1.5696 1.9124 2.0036 2.1276 2.1391 2.2748 2.3426 2.4752 2.4812 2.9419 2.9679 3.1062 3.2101 3.3569 3.3585 3.4599 3.5179 6.3633 6.4122 6.6046 6.7063 7.5545 7.6338 8.0072 8.0187 8.1157 8.1296 8.3452 8.3526 k = 0.4375 0.2526-0.0000 ( 9208 PWs) bands (ev): -13.5556 -13.5556 -13.5556 -13.5556 -13.5476 -13.5476 -13.5476 -13.5476 -11.0316 -11.0316 -11.0312 -11.0312 -10.9921 -10.9921 -10.9921 -10.9921 -10.9712 -10.9712 -10.9712 -10.9712 -7.7347 -7.7347 -7.6485 -7.6483 -7.5378 -7.5375 -7.4479 -7.4478 -3.4099 -3.4094 -3.3888 -3.3883 0.5384 0.5577 0.6959 0.7284 1.2594 1.3325 1.4451 1.5458 1.9178 2.0044 2.1104 2.1130 2.2717 2.3330 2.4642 2.4674 2.9494 2.9722 3.1129 3.2111 3.3307 3.3421 3.4513 3.4993 6.3731 6.4159 6.6134 6.7014 7.5619 7.6297 8.0094 8.0222 8.1104 8.1249 8.3476 8.3536 k = 0.4500 0.2598-0.0000 ( 9224 PWs) bands (ev): -13.5557 -13.5557 -13.5556 -13.5556 -13.5476 -13.5476 -13.5476 -13.5476 -11.0321 -11.0321 -11.0317 -11.0317 -10.9921 -10.9921 -10.9920 -10.9920 -10.9710 -10.9710 -10.9710 -10.9710 -7.7206 -7.7205 -7.6384 -7.6382 -7.5354 -7.5352 -7.4498 -7.4498 -3.4191 -3.4187 -3.4008 -3.4004 0.5253 0.5410 0.6829 0.7092 1.2649 1.3327 1.4315 1.5223 1.9256 2.0055 2.0877 2.0943 2.2728 2.3251 2.4544 2.4553 2.9563 2.9754 3.1227 3.2132 3.3058 3.3260 3.4453 3.4832 6.3819 6.4174 6.6226 6.6953 7.5693 7.6247 8.0116 8.0244 8.1063 8.1202 8.3494 8.3542 k = 0.4625 0.2670-0.0000 ( 9228 PWs) bands (ev): -13.5558 -13.5557 -13.5557 -13.5557 -13.5476 -13.5476 -13.5475 -13.5475 -11.0325 -11.0325 -11.0321 -11.0321 -10.9921 -10.9921 -10.9920 -10.9920 -10.9709 -10.9709 -10.9709 -10.9709 -7.7090 -7.7090 -7.6303 -7.6301 -7.5338 -7.5335 -7.4517 -7.4516 -3.4259 -3.4256 -3.4107 -3.4104 0.5154 0.5274 0.6737 0.6935 1.2729 1.3312 1.4234 1.4995 1.9359 2.0060 2.0652 2.0794 2.2768 2.3180 2.4454 2.4460 2.9624 2.9772 3.1355 3.2151 3.2839 3.3104 3.4416 3.4697 6.3898 6.4172 6.6323 6.6881 7.5767 7.6189 8.0138 8.0252 8.1037 8.1157 8.3509 8.3544 k = 0.4750 0.2742-0.0000 ( 9236 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0327 -11.0323 -11.0323 -10.9921 -10.9921 -10.9920 -10.9920 -10.9708 -10.9708 -10.9708 -10.9708 -7.7003 -7.7003 -7.6243 -7.6242 -7.5327 -7.5326 -7.4533 -7.4532 -3.4305 -3.4302 -3.4183 -3.4179 0.5089 0.5170 0.6681 0.6814 1.2828 1.3261 1.4227 1.4781 1.9483 2.0031 2.0492 2.0663 2.2827 2.3112 2.4382 2.4394 2.9676 2.9776 3.1509 3.2129 3.2691 3.2957 3.4402 3.4587 6.3968 6.4155 6.6422 6.6800 7.5841 7.6126 8.0162 8.0247 8.1027 8.1115 8.3521 8.3544 k = 0.4875 0.2815-0.0000 ( 9234 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0325 -11.0325 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6950 -7.6950 -7.6206 -7.6206 -7.5321 -7.5321 -7.4543 -7.4543 -3.4329 -3.4328 -3.4230 -3.4228 0.5058 0.5098 0.6661 0.6727 1.2941 1.3172 1.4294 1.4586 1.9626 1.9931 2.0438 2.0553 2.2896 2.3042 2.4341 2.4349 2.9718 2.9769 3.1681 3.2025 3.2658 3.2824 3.4412 3.4504 6.4030 6.4124 6.6521 6.6712 7.5915 7.6058 8.0187 8.0232 8.1032 8.1079 8.3530 8.3542 k = 0.5000 0.2887-0.0000 ( 9222 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6932 -7.6932 -7.6194 -7.6194 -7.5319 -7.5319 -7.4546 -7.4546 -3.4336 -3.4336 -3.4246 -3.4246 0.5061 0.5061 0.6676 0.6676 1.3060 1.3060 1.4420 1.4420 1.9782 1.9782 2.0472 2.0472 2.2969 2.2969 2.4330 2.4330 2.9749 2.9749 3.1861 3.1861 3.2717 3.2717 3.4445 3.4445 6.4082 6.4082 6.6618 6.6618 7.5988 7.5988 8.0211 8.0211 8.1050 8.1050 8.3537 8.3537 k = 0.5000 0.2887-0.0000 ( 9222 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6932 -7.6932 -7.6194 -7.6194 -7.5319 -7.5319 -7.4546 -7.4546 -3.4336 -3.4336 -3.4246 -3.4246 0.5061 0.5061 0.6676 0.6676 1.3060 1.3060 1.4420 1.4420 1.9782 1.9782 2.0472 2.0472 2.2969 2.2969 2.4330 2.4330 2.9749 2.9749 3.1861 3.1861 3.2717 3.2717 3.4445 3.4445 6.4082 6.4082 6.6618 6.6618 7.5988 7.5988 8.0211 8.0211 8.1050 8.1050 8.3537 8.3537 k = 0.4928 0.3012-0.0000 ( 9238 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0325 -11.0325 -10.9921 -10.9921 -10.9921 -10.9921 -10.9707 -10.9707 -10.9707 -10.9707 -7.6927 -7.6927 -7.6191 -7.6191 -7.5318 -7.5318 -7.4546 -7.4546 -3.4338 -3.4337 -3.4250 -3.4249 0.5066 0.5075 0.6681 0.6686 1.3057 1.3060 1.4394 1.4413 1.9630 1.9830 2.0155 2.0703 2.2412 2.3507 2.4315 2.4410 2.9639 2.9863 3.1840 3.1943 3.2556 3.2879 3.4376 3.4471 6.4133 6.4137 6.6564 6.6704 7.5797 7.6216 8.0009 8.0306 8.0929 8.1282 8.3298 8.3752 k = 0.4855 0.3138-0.0000 ( 9232 PWs) bands (ev): -13.5558 -13.5558 -13.5557 -13.5557 -13.5476 -13.5476 -13.5475 -13.5475 -11.0328 -11.0328 -11.0324 -11.0324 -10.9923 -10.9923 -10.9922 -10.9922 -10.9708 -10.9708 -10.9707 -10.9707 -7.6914 -7.6913 -7.6181 -7.6181 -7.5313 -7.5313 -7.4546 -7.4546 -3.4344 -3.4342 -3.4259 -3.4257 0.5088 0.5107 0.6700 0.6710 1.3049 1.3058 1.4335 1.4376 1.9365 1.9769 1.9794 2.0812 2.1890 2.3964 2.4352 2.4579 2.9533 2.9980 3.1881 3.2082 3.2388 3.3048 3.4262 3.4463 6.4288 6.4297 6.6540 6.6821 7.5650 7.6479 7.9762 8.0239 8.0974 8.1564 8.3041 8.3943 k = 0.4783 0.3263-0.0000 ( 9236 PWs) bands (ev): -13.5557 -13.5557 -13.5557 -13.5557 -13.5476 -13.5476 -13.5476 -13.5476 -11.0326 -11.0325 -11.0322 -11.0321 -10.9925 -10.9925 -10.9924 -10.9924 -10.9708 -10.9708 -10.9708 -10.9708 -7.6891 -7.6891 -7.6166 -7.6165 -7.5306 -7.5305 -7.4546 -7.4545 -3.4354 -3.4351 -3.4274 -3.4270 0.5129 0.5157 0.6732 0.6748 1.3036 1.3053 1.4241 1.4308 1.8964 1.9449 1.9602 2.0700 2.1536 2.4250 2.4417 2.4890 2.9430 3.0098 3.1952 3.2234 3.2269 3.3219 3.4116 3.4438 6.4540 6.4555 6.6542 6.6967 7.5549 7.6772 7.9493 8.0096 8.1102 8.1872 8.2769 8.4108 k = 0.4710 0.3389-0.0000 ( 9230 PWs) bands (ev): -13.5557 -13.5557 -13.5556 -13.5556 -13.5477 -13.5477 -13.5477 -13.5477 -11.0322 -11.0322 -11.0318 -11.0318 -10.9929 -10.9929 -10.9928 -10.9928 -10.9709 -10.9709 -10.9709 -10.9709 -7.6860 -7.6859 -7.6144 -7.6142 -7.5295 -7.5294 -7.4545 -7.4545 -3.4367 -3.4363 -3.4294 -3.4290 0.5188 0.5224 0.6778 0.6800 1.3015 1.3045 1.4113 1.4210 1.8456 1.9126 1.9337 2.0312 2.1440 2.4384 2.4479 2.5299 2.9328 3.0217 3.1850 3.2285 3.2486 3.3350 3.3998 3.4414 6.4875 6.4900 6.6565 6.7139 7.5499 7.7093 7.9218 7.9951 8.1241 8.2197 8.2493 8.4249 k = 0.4638 0.3514-0.0000 ( 9234 PWs) bands (ev): -13.5556 -13.5556 -13.5555 -13.5555 -13.5478 -13.5478 -13.5478 -13.5478 -11.0318 -11.0318 -11.0314 -11.0314 -10.9933 -10.9933 -10.9932 -10.9932 -10.9710 -10.9710 -10.9710 -10.9710 -7.6820 -7.6819 -7.6116 -7.6114 -7.5282 -7.5280 -7.4545 -7.4545 -3.4384 -3.4378 -3.4320 -3.4314 0.5264 0.5310 0.6836 0.6864 1.2984 1.3033 1.3949 1.4084 1.7891 1.8804 1.8988 1.9827 2.1451 2.4439 2.4510 2.5713 2.9225 3.0335 3.1584 3.2521 3.2685 3.3352 3.4047 3.4403 6.5278 6.5318 6.6605 6.7329 7.5503 7.7438 7.8949 7.9831 8.1362 8.2227 8.2533 8.4367 k = 0.4565 0.3640-0.0000 ( 9232 PWs) bands (ev): -13.5555 -13.5555 -13.5554 -13.5554 -13.5479 -13.5479 -13.5479 -13.5479 -11.0313 -11.0313 -11.0309 -11.0309 -10.9939 -10.9938 -10.9938 -10.9938 -10.9712 -10.9712 -10.9711 -10.9711 -7.6771 -7.6771 -7.6082 -7.6080 -7.5266 -7.5264 -7.4546 -7.4546 -3.4404 -3.4397 -3.4351 -3.4344 0.5358 0.5413 0.6906 0.6941 1.2939 1.3016 1.3752 1.3932 1.7301 1.8476 1.8569 1.9356 2.1483 2.4441 2.4497 2.6096 2.9119 3.0450 3.1261 3.2694 3.2829 3.3381 3.4275 3.4417 6.5728 6.5792 6.6655 6.7534 7.5562 7.7804 7.8697 7.9744 8.1441 8.1999 8.2875 8.4465 k = 0.4493 0.3765-0.0000 ( 9228 PWs) bands (ev): -13.5554 -13.5553 -13.5553 -13.5553 -13.5480 -13.5480 -13.5480 -13.5480 -11.0307 -11.0307 -11.0304 -11.0303 -10.9945 -10.9945 -10.9944 -10.9944 -10.9713 -10.9713 -10.9713 -10.9713 -7.6715 -7.6714 -7.6043 -7.6041 -7.5248 -7.5246 -7.4548 -7.4547 -3.4427 -3.4420 -3.4386 -3.4378 0.5468 0.5532 0.6985 0.7028 1.2876 1.2990 1.3524 1.3756 1.6703 1.8097 1.8145 1.8928 2.1516 2.4405 2.4434 2.6431 2.9010 3.0558 3.0904 3.2435 3.3174 3.3602 3.4462 3.4589 6.6202 6.6302 6.6712 6.7747 7.5675 7.8186 7.8478 7.9690 8.1428 8.1875 8.3219 8.4548 k = 0.4420 0.3891-0.0000 ( 9208 PWs) bands (ev): -13.5552 -13.5552 -13.5552 -13.5552 -13.5482 -13.5482 -13.5482 -13.5482 -11.0301 -11.0300 -11.0297 -11.0297 -10.9952 -10.9952 -10.9952 -10.9951 -10.9714 -10.9714 -10.9714 -10.9714 -7.6651 -7.6650 -7.5999 -7.5997 -7.5228 -7.5226 -7.4551 -7.4550 -3.4454 -3.4446 -3.4425 -3.4416 0.5595 0.5668 0.7073 0.7124 1.2788 1.2953 1.3276 1.3562 1.6109 1.7595 1.7814 1.8547 2.1545 2.4327 2.4338 2.6700 2.8906 3.0535 3.0659 3.2059 3.3528 3.3891 3.4547 3.4954 6.6660 6.6788 6.6823 6.7970 7.5841 7.8302 7.8575 7.9662 8.1318 8.1879 8.3560 8.4618 k = 0.4348 0.4016-0.0000 ( 9200 PWs) bands (ev): -13.5551 -13.5550 -13.5550 -13.5550 -13.5484 -13.5484 -13.5483 -13.5483 -11.0293 -11.0293 -11.0290 -11.0289 -10.9961 -10.9960 -10.9960 -10.9960 -10.9715 -10.9715 -10.9715 -10.9715 -7.6580 -7.6579 -7.5951 -7.5949 -7.5208 -7.5205 -7.4556 -7.4555 -3.4484 -3.4475 -3.4468 -3.4459 0.5738 0.5819 0.7166 0.7228 1.2659 1.2898 1.3028 1.3360 1.5527 1.7082 1.7486 1.8206 2.1569 2.4187 2.4252 2.6880 2.8828 3.0170 3.0749 3.1635 3.3853 3.4190 3.4691 3.5350 6.6809 6.7145 6.7320 6.8214 7.6058 7.8182 7.8960 7.9648 8.1215 8.1939 8.3896 8.4683 k = 0.4275 0.4142-0.0000 ( 9196 PWs) bands (ev): -13.5549 -13.5549 -13.5548 -13.5548 -13.5485 -13.5485 -13.5485 -13.5485 -11.0285 -11.0285 -11.0282 -11.0281 -10.9970 -10.9969 -10.9969 -10.9969 -10.9717 -10.9717 -10.9717 -10.9717 -7.6502 -7.6501 -7.5899 -7.5896 -7.5186 -7.5184 -7.4563 -7.4562 -3.4518 -3.4514 -3.4508 -3.4503 0.5896 0.5985 0.7262 0.7335 1.2459 1.2811 1.2819 1.3168 1.4964 1.6570 1.7165 1.7899 2.1586 2.4031 2.4153 2.6940 2.8804 2.9823 3.0824 3.1188 3.4109 3.4481 3.4914 3.5763 6.6864 6.7547 6.7736 6.8516 7.6323 7.8123 7.9296 7.9654 8.1194 8.2019 8.4221 8.4747 k = 0.4203 0.4267-0.0000 ( 9188 PWs) bands (ev): -13.5547 -13.5547 -13.5547 -13.5546 -13.5487 -13.5487 -13.5487 -13.5487 -11.0276 -11.0276 -11.0273 -11.0273 -10.9980 -10.9979 -10.9979 -10.9979 -10.9718 -10.9718 -10.9718 -10.9718 -7.6418 -7.6417 -7.5844 -7.5841 -7.5164 -7.5162 -7.4573 -7.4572 -3.4564 -3.4553 -3.4552 -3.4542 0.6068 0.6165 0.7358 0.7443 1.2189 1.2657 1.2669 1.3016 1.4425 1.6068 1.6851 1.7618 2.1595 2.3878 2.4050 2.6866 2.8850 2.9508 3.0676 3.0935 3.4290 3.4759 3.5205 3.6179 6.6911 6.7887 6.8022 6.8908 7.6630 7.8126 7.9405 7.9826 8.1283 8.2116 8.4531 8.4816 k = 0.4130 0.4393-0.0000 ( 9190 PWs) bands (ev): -13.5545 -13.5545 -13.5545 -13.5544 -13.5489 -13.5489 -13.5489 -13.5489 -11.0267 -11.0266 -11.0264 -11.0263 -10.9991 -10.9990 -10.9990 -10.9990 -10.9719 -10.9719 -10.9719 -10.9719 -7.6328 -7.6327 -7.5785 -7.5782 -7.5143 -7.5140 -7.4587 -7.4586 -3.4614 -3.4602 -3.4591 -3.4580 0.6254 0.6358 0.7450 0.7549 1.1887 1.2473 1.2518 1.2908 1.3916 1.5583 1.6543 1.7351 2.1595 2.3747 2.3947 2.6683 2.8929 2.9253 3.0203 3.0982 3.4424 3.5021 3.5524 3.6585 6.6953 6.8155 6.8201 6.9355 7.6970 7.8191 7.9317 8.0127 8.1465 8.2248 8.4818 8.4899 k = 0.4058 0.4518-0.0000 ( 9188 PWs) bands (ev): -13.5543 -13.5543 -13.5543 -13.5542 -13.5492 -13.5492 -13.5491 -13.5491 -11.0257 -11.0256 -11.0254 -11.0254 -11.0002 -11.0002 -11.0002 -11.0001 -10.9720 -10.9720 -10.9720 -10.9720 -7.6234 -7.6232 -7.5725 -7.5722 -7.5123 -7.5120 -7.4605 -7.4604 -3.4664 -3.4652 -3.4631 -3.4620 0.6452 0.6561 0.7533 0.7647 1.1581 1.2252 1.2389 1.2818 1.3451 1.5123 1.6239 1.7087 2.1588 2.3654 2.3850 2.6434 2.8836 2.9231 2.9709 3.1031 3.4535 3.5267 3.5835 3.6969 6.6991 6.8315 6.8349 6.9806 7.7317 7.8320 7.9175 8.0422 8.1681 8.2449 8.4983 8.5094 k = 0.3986 0.4644-0.0000 ( 9188 PWs) bands (ev): -13.5541 -13.5541 -13.5540 -13.5540 -13.5494 -13.5494 -13.5494 -13.5494 -11.0246 -11.0246 -11.0244 -11.0243 -11.0014 -11.0014 -11.0014 -11.0013 -10.9720 -10.9720 -10.9720 -10.9720 -7.6135 -7.6133 -7.5663 -7.5660 -7.5105 -7.5102 -7.4628 -7.4627 -3.4715 -3.4702 -3.4673 -3.4661 0.6661 0.6773 0.7605 0.7734 1.1283 1.2015 1.2269 1.2713 1.3065 1.4695 1.5935 1.6814 2.1581 2.3610 2.3759 2.6156 2.8603 2.9206 2.9386 3.1070 3.4634 3.5495 3.6119 3.7322 6.7024 6.8390 6.8478 7.0233 7.7626 7.8531 7.9015 8.0688 8.1873 8.2746 8.5093 8.5332 k = 0.3913 0.4769-0.0000 ( 9198 PWs) bands (ev): -13.5539 -13.5538 -13.5538 -13.5538 -13.5496 -13.5496 -13.5496 -13.5496 -11.0236 -11.0235 -11.0233 -11.0233 -11.0027 -11.0026 -11.0026 -11.0026 -10.9721 -10.9721 -10.9721 -10.9721 -7.6032 -7.6031 -7.5601 -7.5597 -7.5089 -7.5086 -7.4657 -7.4656 -3.4764 -3.4751 -3.4715 -3.4703 0.6880 0.6992 0.7662 0.7803 1.1000 1.1748 1.2163 1.2539 1.2839 1.4309 1.5629 1.6521 2.1587 2.3616 2.3678 2.5876 2.8365 2.8699 2.9569 3.1098 3.4727 3.5707 3.6363 3.7639 6.7053 6.8440 6.8553 7.0622 7.7853 7.8841 7.8851 8.0917 8.2027 8.3125 8.5217 8.5540 k = 0.3841 0.4895-0.0000 ( 9198 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5499 -13.5499 -13.5498 -13.5498 -11.0224 -11.0224 -11.0222 -11.0222 -11.0040 -11.0039 -11.0039 -11.0039 -10.9721 -10.9721 -10.9721 -10.9721 -7.5927 -7.5926 -7.5538 -7.5534 -7.5076 -7.5073 -7.4691 -7.4691 -3.4811 -3.4798 -3.4758 -3.4745 0.7104 0.7213 0.7704 0.7855 1.0734 1.1432 1.2076 1.2355 1.2749 1.3975 1.5317 1.6203 2.1616 2.3605 2.3668 2.5612 2.8138 2.8189 2.9756 3.1113 3.4816 3.5902 3.6563 3.7913 6.7080 6.8473 6.8589 7.0964 7.7996 7.8694 7.9221 8.1102 8.2162 8.3547 8.5353 8.5715 k = 0.3768 0.5020-0.0000 ( 9192 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5501 -13.5501 -13.5501 -13.5501 -11.0213 -11.0213 -11.0211 -11.0210 -11.0053 -11.0052 -11.0052 -11.0052 -10.9722 -10.9722 -10.9721 -10.9721 -7.5820 -7.5818 -7.5476 -7.5473 -7.5068 -7.5065 -7.4733 -7.4732 -3.4855 -3.4841 -3.4799 -3.4786 0.7330 0.7430 0.7734 0.7891 1.0480 1.1073 1.2017 1.2247 1.2707 1.3702 1.4999 1.5859 2.1679 2.3536 2.3758 2.5375 2.7681 2.7932 2.9937 3.1115 3.4900 3.6081 3.6714 3.8144 6.7104 6.8494 6.8598 7.1257 7.8080 7.8548 7.9624 8.1236 8.2292 8.3977 8.5495 8.5852 k = 0.3696 0.5146-0.0000 ( 9188 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5503 -13.5503 -13.5503 -13.5503 -11.0201 -11.0201 -11.0200 -11.0199 -11.0066 -11.0065 -11.0065 -11.0065 -10.9722 -10.9722 -10.9722 -10.9722 -7.5711 -7.5710 -7.5416 -7.5412 -7.5064 -7.5061 -7.4783 -7.4782 -3.4893 -3.4879 -3.4839 -3.4826 0.7537 0.7622 0.7776 0.7931 1.0233 1.0696 1.1990 1.2216 1.2694 1.3498 1.4676 1.5494 2.1781 2.3466 2.3881 2.5176 2.7178 2.7750 3.0111 3.1102 3.4979 3.6243 3.6818 3.8329 6.7128 6.8510 6.8591 7.1497 7.8127 7.8419 8.0013 8.1323 8.2416 8.4391 8.5635 8.5950 k = 0.3623 0.5271-0.0000 ( 9198 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5529 -13.5505 -13.5505 -13.5505 -13.5505 -11.0190 -11.0190 -11.0188 -11.0188 -11.0079 -11.0078 -11.0078 -11.0077 -10.9722 -10.9722 -10.9722 -10.9722 -7.5602 -7.5601 -7.5359 -7.5355 -7.5066 -7.5063 -7.4841 -7.4840 -3.4926 -3.4912 -3.4876 -3.4862 0.7650 0.7735 0.7904 0.8029 0.9992 1.0323 1.1999 1.2240 1.2711 1.3364 1.4352 1.5118 2.1921 2.3383 2.4029 2.5024 2.6683 2.7598 3.0274 3.1074 3.5053 3.6388 3.6876 3.8471 6.7152 6.8522 6.8575 7.1686 7.8150 7.8312 8.0363 8.1366 8.2528 8.4774 8.5765 8.6010 k = 0.3551 0.5397-0.0000 ( 9206 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5528 -13.5507 -13.5507 -13.5507 -13.5507 -11.0179 -11.0179 -11.0178 -11.0177 -11.0091 -11.0090 -11.0090 -11.0089 -10.9722 -10.9722 -10.9722 -10.9722 -7.5494 -7.5493 -7.5305 -7.5301 -7.5074 -7.5070 -7.4907 -7.4906 -3.4952 -3.4938 -3.4909 -3.4895 0.7677 0.7760 0.8113 0.8195 0.9760 0.9970 1.2046 1.2296 1.2764 1.3294 1.4037 1.4745 2.2097 2.3273 2.4196 2.4933 2.6204 2.7480 3.0425 3.1031 3.5117 3.6516 3.6894 3.8572 6.7176 6.8532 6.8557 7.1824 7.8157 7.8230 8.0662 8.1371 8.2620 8.5111 8.5870 8.6034 k = 0.3478 0.5522-0.0000 ( 9202 PWs) bands (ev): -13.5527 -13.5526 -13.5526 -13.5526 -13.5509 -13.5509 -13.5509 -13.5509 -11.0169 -11.0168 -11.0168 -11.0167 -11.0103 -11.0101 -11.0101 -11.0100 -10.9722 -10.9722 -10.9722 -10.9722 -7.5388 -7.5386 -7.5256 -7.5252 -7.5088 -7.5084 -7.4983 -7.4982 -3.4969 -3.4955 -3.4936 -3.4922 0.7686 0.7751 0.8327 0.8369 0.9550 0.9654 1.2124 1.2351 1.2861 1.3268 1.3747 1.4403 2.2302 2.3128 2.4376 2.4911 2.5749 2.7397 3.0564 3.0971 3.5170 3.6625 3.6878 3.8636 6.7197 6.8539 6.8541 7.1915 7.8154 7.8175 8.0903 8.1345 8.2687 8.5394 8.5919 8.6048 k = 0.3406 0.5648-0.0000 ( 9198 PWs) bands (ev): -13.5526 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0160 -11.0160 -11.0160 -11.0160 -11.0111 -11.0110 -11.0110 -11.0109 -10.9722 -10.9722 -10.9722 -10.9722 -7.5286 -7.5284 -7.5215 -7.5211 -7.5109 -7.5105 -7.5063 -7.5062 -3.4978 -3.4964 -3.4956 -3.4942 0.7699 0.7735 0.8503 0.8506 0.9392 0.9410 1.2226 1.2373 1.3003 1.3242 1.3513 1.4145 2.2525 2.2949 2.4555 2.4955 2.5340 2.7348 3.0688 3.0893 3.5206 3.6715 3.6838 3.8670 6.7213 6.8533 6.8541 7.1966 7.8146 7.8148 8.1083 8.1289 8.2727 8.5616 8.5878 8.6077 k = 0.3333 0.5774-0.0000 ( 9186 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5183 -7.5181 -7.5150 -7.5149 -7.5103 -7.5101 -3.4979 -3.4965 -3.4965 -3.4951 0.7716 0.7717 0.8567 0.8567 0.9312 0.9332 1.2328 1.2328 1.3154 1.3154 1.3404 1.4049 2.2746 2.2746 2.4666 2.5059 2.5059 2.7333 3.0799 3.0799 3.5220 3.6784 3.6784 3.8679 6.7219 6.8536 6.8536 7.1981 7.8141 7.8141 8.1206 8.1206 8.2740 8.5775 8.5775 8.6092 k = 0.3333 0.5774-0.0000 ( 9186 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5183 -7.5181 -7.5150 -7.5149 -7.5103 -7.5101 -3.4979 -3.4965 -3.4965 -3.4951 0.7716 0.7717 0.8567 0.8567 0.9312 0.9332 1.2328 1.2328 1.3154 1.3154 1.3404 1.4049 2.2746 2.2746 2.4666 2.5059 2.5059 2.7333 3.0799 3.0799 3.5220 3.6784 3.6784 3.8679 6.7219 6.8536 6.8536 7.1981 7.8141 7.8141 8.1206 8.1206 8.2740 8.5775 8.5775 8.6092 k = 0.3261 0.5648-0.0000 ( 9196 PWs) bands (ev): -13.5526 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0160 -11.0160 -11.0159 -11.0159 -11.0112 -11.0110 -11.0110 -11.0109 -10.9722 -10.9722 -10.9722 -10.9722 -7.5290 -7.5290 -7.5213 -7.5211 -7.5107 -7.5103 -7.5061 -7.5060 -3.4978 -3.4965 -3.4954 -3.4941 0.7693 0.7735 0.8495 0.8548 0.9384 0.9393 1.2206 1.2364 1.3057 1.3217 1.3531 1.4127 2.2532 2.2929 2.4541 2.5111 2.5211 2.7347 3.0687 3.0894 3.5204 3.6729 3.6828 3.8672 6.7212 6.8520 6.8553 7.1968 7.8136 7.8157 8.1099 8.1276 8.2728 8.5628 8.5870 8.6074 k = 0.3188 0.5522-0.0000 ( 9198 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5509 -13.5509 -13.5509 -13.5509 -11.0168 -11.0167 -11.0166 -11.0166 -11.0104 -11.0102 -11.0102 -11.0101 -10.9722 -10.9722 -10.9722 -10.9722 -7.5407 -7.5406 -7.5259 -7.5256 -7.5081 -7.5077 -7.4972 -7.4971 -3.4971 -3.4957 -3.4928 -3.4914 0.7655 0.7735 0.8397 0.8511 0.9505 0.9558 1.2042 1.2246 1.3099 1.3271 1.3780 1.4312 2.2322 2.3008 2.4435 2.5306 2.5398 2.7389 3.0560 3.0974 3.5153 3.6685 3.6846 3.8656 6.7188 6.8493 6.8587 7.1933 7.8133 7.8191 8.0969 8.1298 8.2692 8.5443 8.5902 8.6018 k = 0.3116 0.5397-0.0000 ( 9196 PWs) bands (ev): -13.5528 -13.5527 -13.5527 -13.5527 -13.5508 -13.5508 -13.5508 -13.5508 -11.0176 -11.0176 -11.0175 -11.0174 -11.0094 -11.0093 -11.0092 -11.0091 -10.9722 -10.9722 -10.9722 -10.9722 -7.5537 -7.5537 -7.5319 -7.5316 -7.5061 -7.5057 -7.4883 -7.4882 -3.4953 -3.4939 -3.4887 -3.4874 0.7599 0.7692 0.8364 0.8509 0.9650 0.9733 1.1885 1.2024 1.3273 1.3361 1.4068 1.4559 2.2128 2.2935 2.4511 2.5525 2.5611 2.7457 3.0418 3.1038 3.5067 3.6660 3.6835 3.8639 6.7147 6.8450 6.8634 7.1879 7.8134 7.8239 8.0818 8.1279 8.2637 8.5225 8.5875 8.5923 k = 0.3043 0.5271-0.0000 ( 9210 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -13.5506 -13.5506 -13.5506 -13.5506 -11.0185 -11.0185 -11.0183 -11.0183 -11.0083 -11.0082 -11.0082 -11.0081 -10.9722 -10.9722 -10.9722 -10.9722 -7.5680 -7.5679 -7.5392 -7.5388 -7.5047 -7.5043 -7.4799 -7.4797 -3.4922 -3.4909 -3.4832 -3.4819 0.7530 0.7610 0.8414 0.8558 0.9800 0.9886 1.1773 1.1785 1.3476 1.3508 1.4379 1.4848 2.1961 2.2760 2.4738 2.5752 2.5838 2.7550 3.0264 3.1086 3.4947 3.6657 3.6796 3.8624 6.7090 6.8393 6.8692 7.1811 7.8136 7.8298 8.0648 8.1228 8.2562 8.4977 8.5792 8.5795 k = 0.2971 0.5146-0.0000 ( 9209 PWs) bands (ev): -13.5531 -13.5530 -13.5530 -13.5530 -13.5505 -13.5505 -13.5504 -13.5504 -11.0193 -11.0193 -11.0191 -11.0191 -11.0073 -11.0072 -11.0071 -11.0071 -10.9723 -10.9723 -10.9723 -10.9723 -7.5835 -7.5834 -7.5475 -7.5472 -7.5040 -7.5036 -7.4720 -7.4719 -3.4877 -3.4864 -3.4762 -3.4749 0.7462 0.7519 0.8520 0.8651 0.9949 1.0002 1.1565 1.1728 1.3608 1.3777 1.4706 1.5167 2.1830 2.2556 2.5048 2.5982 2.6070 2.7669 3.0099 3.1117 3.4804 3.6674 3.6729 3.8617 6.7020 6.8320 6.8754 7.1728 7.8138 7.8364 8.0464 8.1152 8.2472 8.4702 8.5628 8.5667 k = 0.2899 0.5020-0.0000 ( 9195 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5531 -13.5503 -13.5503 -13.5503 -13.5503 -11.0201 -11.0200 -11.0199 -11.0198 -11.0062 -11.0061 -11.0061 -11.0060 -10.9723 -10.9723 -10.9723 -10.9723 -7.6001 -7.6000 -7.5571 -7.5568 -7.5041 -7.5038 -7.4648 -7.4647 -3.4817 -3.4805 -3.4677 -3.4665 0.7409 0.7443 0.8653 0.8775 1.0085 1.0094 1.1383 1.1756 1.3755 1.4066 1.5046 1.5511 2.1743 2.2365 2.5400 2.6209 2.6295 2.7816 2.9928 3.1131 3.4647 3.6638 3.6708 3.8618 6.6941 6.8233 6.8813 7.1629 7.8137 7.8434 8.0269 8.1058 8.2366 8.4406 8.5437 8.5499 k = 0.2826 0.4895-0.0000 ( 9203 PWs) bands (ev): -13.5533 -13.5533 -13.5533 -13.5533 -13.5501 -13.5501 -13.5501 -13.5501 -11.0208 -11.0207 -11.0205 -11.0205 -11.0052 -11.0051 -11.0051 -11.0050 -10.9724 -10.9724 -10.9724 -10.9724 -7.6178 -7.6178 -7.5678 -7.5675 -7.5051 -7.5048 -7.4583 -7.4582 -3.4742 -3.4730 -3.4578 -3.4566 0.7381 0.7396 0.8787 0.8915 1.0162 1.0239 1.1248 1.1841 1.3919 1.4369 1.5397 1.5875 2.1705 2.2208 2.5774 2.6434 2.6503 2.7995 2.9755 3.1129 3.4488 3.6527 3.6754 3.8626 6.6853 6.8133 6.8865 7.1512 7.8133 7.8502 8.0070 8.0954 8.2246 8.4090 8.5221 8.5297 k = 0.2754 0.4769-0.0000 ( 9191 PWs) bands (ev): -13.5535 -13.5534 -13.5534 -13.5534 -13.5500 -13.5500 -13.5500 -13.5500 -11.0214 -11.0213 -11.0211 -11.0210 -11.0042 -11.0041 -11.0041 -11.0040 -10.9725 -10.9725 -10.9725 -10.9725 -7.6366 -7.6366 -7.5797 -7.5794 -7.5070 -7.5066 -7.4526 -7.4525 -3.4651 -3.4639 -3.4464 -3.4452 0.7382 0.7383 0.8901 0.9053 1.0271 1.0394 1.1167 1.1957 1.4103 1.4680 1.5755 1.6258 2.1719 2.2095 2.6161 2.6652 2.6686 2.8209 2.9586 3.1108 3.4337 3.6402 3.6808 3.8639 6.6760 6.8021 6.8902 7.1376 7.8121 7.8562 7.9874 8.0844 8.2112 8.3761 8.4987 8.5069 k = 0.2681 0.4644-0.0000 ( 9189 PWs) bands (ev): -13.5536 -13.5535 -13.5535 -13.5535 -13.5498 -13.5498 -13.5498 -13.5498 -11.0218 -11.0217 -11.0215 -11.0215 -11.0032 -11.0032 -11.0031 -11.0031 -10.9726 -10.9726 -10.9726 -10.9726 -7.6565 -7.6565 -7.5926 -7.5924 -7.5097 -7.5094 -7.4477 -7.4476 -3.4543 -3.4531 -3.4335 -3.4324 0.7407 0.7421 0.8980 0.9175 1.0441 1.0566 1.1141 1.2082 1.4313 1.4998 1.6121 1.6657 2.1785 2.2030 2.6549 2.6841 2.6863 2.8454 2.9426 3.1071 3.4201 3.6268 3.6868 3.8657 6.6662 6.7898 6.8919 7.1217 7.8100 7.8601 7.9696 8.0735 8.1966 8.3421 8.4739 8.4820 k = 0.2609 0.4518-0.0000 ( 9189 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5497 -13.5497 -13.5497 -13.5497 -11.0222 -11.0221 -11.0219 -11.0218 -11.0023 -11.0023 -11.0022 -11.0022 -10.9727 -10.9727 -10.9727 -10.9727 -7.6773 -7.6773 -7.6067 -7.6064 -7.5134 -7.5131 -7.4436 -7.4435 -3.4418 -3.4407 -3.4193 -3.4182 0.7471 0.7497 0.9029 0.9274 1.0677 1.0754 1.1180 1.2203 1.4553 1.5320 1.6492 1.7070 2.1903 2.2014 2.6920 2.6968 2.7078 2.8726 2.9284 3.1018 3.4089 3.6130 3.6933 3.8676 6.6558 6.7765 6.8913 7.1034 7.8067 7.8596 7.9556 8.0630 8.1808 8.3076 8.4480 8.4557 k = 0.2536 0.4393-0.0000 ( 9207 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5496 -13.5496 -13.5496 -13.5496 -11.0224 -11.0223 -11.0221 -11.0220 -11.0014 -11.0014 -11.0013 -11.0013 -10.9728 -10.9728 -10.9728 -10.9728 -7.6990 -7.6990 -7.6218 -7.6216 -7.5180 -7.5176 -7.4404 -7.4403 -3.4277 -3.4266 -3.4037 -3.4027 0.7576 0.7613 0.9061 0.9352 1.0917 1.0965 1.1322 1.2320 1.4821 1.5644 1.6868 1.7496 2.2047 2.2068 2.7073 2.7182 2.7374 2.9014 2.9172 3.0952 3.4004 3.5993 3.7001 3.8696 6.6449 6.7620 6.8880 7.0827 7.8020 7.8526 7.9477 8.0531 8.1641 8.2729 8.4214 8.4285 k = 0.2464 0.4267-0.0000 ( 9211 PWs) bands (ev): -13.5538 -13.5537 -13.5537 -13.5537 -13.5495 -13.5495 -13.5495 -13.5495 -11.0226 -11.0225 -11.0222 -11.0221 -11.0006 -11.0006 -11.0005 -11.0005 -10.9730 -10.9730 -10.9730 -10.9730 -7.7216 -7.7216 -7.6379 -7.6377 -7.5234 -7.5231 -7.4381 -7.4380 -3.4119 -3.4108 -3.3869 -3.3859 0.7722 0.7769 0.9091 0.9419 1.1025 1.1281 1.1585 1.2448 1.5113 1.5970 1.7250 1.7933 2.2126 2.2277 2.7160 2.7347 2.7725 2.9104 2.9309 3.0877 3.3950 3.5863 3.7072 3.8716 6.6331 6.7463 6.8819 7.0596 7.7956 7.8386 7.9460 8.0440 8.1467 8.2387 8.3945 8.4009 k = 0.2391 0.4142-0.0000 ( 9207 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5537 -13.5494 -13.5494 -13.5494 -13.5494 -11.0226 -11.0225 -11.0222 -11.0221 -10.9998 -10.9998 -10.9997 -10.9997 -10.9732 -10.9732 -10.9732 -10.9732 -7.7449 -7.7449 -7.6549 -7.6547 -7.5298 -7.5295 -7.4367 -7.4366 -3.3944 -3.3934 -3.3691 -3.3681 0.7910 0.7966 0.9132 0.9485 1.1110 1.1592 1.1929 1.2614 1.5422 1.6297 1.7638 1.8379 2.2247 2.2524 2.7236 2.7473 2.8052 2.9105 2.9595 3.0805 3.3928 3.5742 3.7144 3.8734 6.6204 6.7292 6.8727 7.0341 7.7875 7.8194 7.9482 8.0354 8.1290 8.2057 8.3674 8.3732 k = 0.2319 0.4016-0.0000 ( 9207 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5493 -13.5493 -13.5493 -13.5493 -11.0225 -11.0224 -11.0221 -11.0220 -10.9991 -10.9991 -10.9990 -10.9990 -10.9734 -10.9734 -10.9734 -10.9734 -7.7688 -7.7688 -7.6728 -7.6726 -7.5370 -7.5367 -7.4362 -7.4361 -3.3754 -3.3744 -3.3502 -3.3493 0.8139 0.8203 0.9189 0.9558 1.1199 1.1860 1.2319 1.2858 1.5739 1.6624 1.8033 1.8832 2.2406 2.2804 2.7306 2.7564 2.8318 2.9202 2.9845 3.0759 3.3938 3.5636 3.7219 3.8751 6.6064 6.7105 6.8605 7.0065 7.7773 7.7971 7.9519 8.0268 8.1116 8.1744 8.3405 8.3457 k = 0.2246 0.3891-0.0000 ( 9207 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5492 -13.5492 -13.5492 -13.5492 -11.0223 -11.0222 -11.0219 -11.0218 -10.9984 -10.9984 -10.9983 -10.9983 -10.9736 -10.9736 -10.9736 -10.9736 -7.7933 -7.7933 -7.6914 -7.6912 -7.5450 -7.5447 -7.4365 -7.4364 -3.3549 -3.3540 -3.3305 -3.3296 0.8408 0.8482 0.9266 0.9644 1.1304 1.2069 1.2739 1.3201 1.6055 1.6951 1.8438 1.9290 2.2597 2.3111 2.7374 2.7628 2.8509 2.9407 3.0010 3.0790 3.3979 3.5548 3.7296 3.8765 6.5909 6.6899 6.8454 6.9767 7.7648 7.7728 7.9551 8.0178 8.0950 8.1457 8.3140 8.3186 k = 0.2174 0.3765-0.0000 ( 9199 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5537 -13.5492 -13.5492 -13.5492 -13.5492 -11.0219 -11.0218 -11.0215 -11.0214 -10.9978 -10.9978 -10.9977 -10.9977 -10.9739 -10.9739 -10.9739 -10.9739 -7.8183 -7.8183 -7.7108 -7.7106 -7.5537 -7.5535 -7.4377 -7.4376 -3.3331 -3.3321 -3.3101 -3.3092 0.8715 0.8799 0.9366 0.9744 1.1435 1.2240 1.3177 1.3624 1.6362 1.7276 1.8856 1.9751 2.2818 2.3442 2.7442 2.7675 2.8646 2.9688 3.0051 3.0936 3.4047 3.5481 3.7376 3.8778 6.5735 6.6673 6.8274 6.9450 7.7470 7.7498 7.9564 8.0076 8.0801 8.1203 8.2879 8.2919 k = 0.2101 0.3640-0.0000 ( 9201 PWs) bands (ev): -13.5538 -13.5537 -13.5537 -13.5537 -13.5491 -13.5491 -13.5491 -13.5491 -11.0215 -11.0214 -11.0211 -11.0210 -10.9972 -10.9972 -10.9971 -10.9971 -10.9742 -10.9741 -10.9741 -10.9741 -7.8436 -7.8435 -7.7307 -7.7305 -7.5632 -7.5630 -7.4398 -7.4397 -3.3099 -3.3090 -3.2891 -3.2883 0.9059 0.9155 0.9490 0.9859 1.1599 1.2403 1.3626 1.4098 1.6655 1.7602 1.9287 2.0212 2.3063 2.3790 2.7513 2.7717 2.8759 3.0002 3.0005 3.1162 3.4142 3.5439 3.7459 3.8788 6.5541 6.6423 6.8066 6.9115 7.7201 7.7322 7.9547 7.9955 8.0675 8.0988 8.2624 8.2657 k = 0.2029 0.3514-0.0000 ( 9203 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5491 -13.5491 -13.5491 -13.5491 -11.0209 -11.0209 -11.0205 -11.0204 -10.9967 -10.9967 -10.9966 -10.9966 -10.9744 -10.9744 -10.9744 -10.9744 -7.8691 -7.8691 -7.7511 -7.7509 -7.5734 -7.5732 -7.4426 -7.4426 -3.2856 -3.2847 -3.2678 -3.2671 0.9427 0.9545 0.9648 0.9991 1.1800 1.2583 1.4076 1.4602 1.6931 1.7928 1.9732 2.0670 2.3329 2.4152 2.7588 2.7766 2.8861 2.9927 3.0326 3.1416 3.4260 3.5423 3.7545 3.8795 6.5325 6.6149 6.7832 6.8762 7.6923 7.7118 7.9491 7.9810 8.0575 8.0812 8.2375 8.2400 k = 0.1957 0.3389-0.0000 ( 9207 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5491 -13.5491 -13.5491 -13.5490 -11.0203 -11.0202 -11.0199 -11.0198 -10.9962 -10.9962 -10.9962 -10.9961 -10.9748 -10.9747 -10.9747 -10.9747 -7.8948 -7.8948 -7.7719 -7.7718 -7.5842 -7.5840 -7.4463 -7.4462 -3.2603 -3.2594 -3.2463 -3.2456 0.9740 0.9917 0.9958 1.0151 1.2044 1.2791 1.4521 1.5119 1.7193 1.8258 2.0192 2.1124 2.3614 2.4524 2.7666 2.7829 2.8957 2.9843 3.0648 3.1675 3.4398 3.5434 3.7633 3.8801 6.5084 6.5850 6.7573 6.8393 7.6635 7.6887 7.9395 7.9644 8.0497 8.0666 8.2133 8.2148 k = 0.1884 0.3263-0.0000 ( 9211 PWs) bands (ev): -13.5536 -13.5536 -13.5535 -13.5535 -13.5491 -13.5490 -13.5490 -13.5490 -11.0196 -11.0195 -11.0191 -11.0191 -10.9958 -10.9958 -10.9957 -10.9957 -10.9751 -10.9751 -10.9751 -10.9750 -7.9205 -7.9205 -7.7930 -7.7929 -7.5956 -7.5953 -7.4506 -7.4505 -3.2341 -3.2333 -3.2247 -3.2240 0.9954 1.0265 1.0339 1.0466 1.2332 1.3038 1.4951 1.5635 1.7448 1.8595 2.0663 2.1569 2.3916 2.4903 2.7746 2.7912 2.9048 2.9769 3.0962 3.1927 3.4556 3.5474 3.7725 3.8804 6.4819 6.5525 6.7290 6.8008 7.6341 7.6632 7.9259 7.9456 8.0434 8.0539 8.1898 8.1899 k = 0.1812 0.3138-0.0000 ( 9211 PWs) bands (ev): -13.5535 -13.5535 -13.5535 -13.5534 -13.5490 -13.5490 -13.5490 -13.5490 -11.0187 -11.0187 -11.0183 -11.0183 -10.9954 -10.9954 -10.9953 -10.9953 -10.9754 -10.9754 -10.9754 -10.9754 -7.9461 -7.9461 -7.8143 -7.8142 -7.6074 -7.6071 -7.4556 -7.4555 -3.2072 -3.2065 -3.2032 -3.2025 1.0170 1.0464 1.0809 1.0939 1.2665 1.3326 1.5358 1.6131 1.7712 1.8945 2.1144 2.2004 2.4233 2.5284 2.7825 2.8016 2.9135 2.9713 3.1265 3.2170 3.4729 3.5541 3.7818 3.8805 6.4530 6.5176 6.6985 6.7607 7.6042 7.6357 7.9089 7.9249 8.0373 8.0420 8.1653 8.1667 k = 0.1739 0.3012-0.0000 ( 9209 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5533 -13.5490 -13.5490 -13.5490 -13.5490 -11.0179 -11.0178 -11.0174 -11.0174 -10.9951 -10.9951 -10.9950 -10.9950 -10.9758 -10.9757 -10.9757 -10.9757 -7.9716 -7.9716 -7.8357 -7.8355 -7.6196 -7.6194 -7.4612 -7.4612 -3.1821 -3.1815 -3.1797 -3.1789 1.0408 1.0675 1.1306 1.1446 1.3043 1.3658 1.5738 1.6581 1.8010 1.9311 2.1631 2.2426 2.4563 2.5664 2.7900 2.8140 2.9221 2.9682 3.1556 3.2402 3.4917 3.5635 3.7912 3.8802 6.4216 6.4804 6.6657 6.7191 7.5741 7.6068 7.8884 7.9019 8.0299 8.0306 8.1406 8.1438 k = 0.1667 0.2887-0.0000 ( 9219 PWs) bands (ev): -13.5533 -13.5533 -13.5533 -13.5532 -13.5490 -13.5490 -13.5490 -13.5490 -11.0169 -11.0168 -11.0165 -11.0164 -10.9948 -10.9948 -10.9947 -10.9947 -10.9761 -10.9761 -10.9761 -10.9761 -7.9968 -7.9968 -7.8570 -7.8569 -7.6321 -7.6319 -7.4674 -7.4673 -3.1613 -3.1607 -3.1519 -3.1512 1.0670 1.0910 1.1820 1.1971 1.3464 1.4034 1.6087 1.6959 1.8369 1.9696 2.2121 2.2834 2.4904 2.6041 2.7972 2.8283 2.9307 2.9679 3.1835 3.2621 3.5117 3.5752 3.8005 3.8796 6.3881 6.4410 6.6307 6.6758 7.5440 7.5770 7.8644 7.8761 8.0169 8.0224 8.1155 8.1208 k = 0.1594 0.2761-0.0000 ( 9231 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5531 -13.5490 -13.5490 -13.5490 -13.5490 -11.0159 -11.0158 -11.0155 -11.0154 -10.9945 -10.9945 -10.9944 -10.9944 -10.9765 -10.9765 -10.9765 -10.9765 -8.0217 -8.0217 -7.8782 -7.8781 -7.6449 -7.6447 -7.4740 -7.4740 -3.1410 -3.1405 -3.1239 -3.1232 1.0960 1.1174 1.2344 1.2506 1.3926 1.4454 1.6407 1.7256 1.8802 2.0102 2.2610 2.3229 2.5254 2.6410 2.8040 2.8442 2.9396 2.9704 3.2103 3.2829 3.5328 3.5892 3.8095 3.8785 6.3526 6.3997 6.5936 6.6308 7.5143 7.5468 7.8368 7.8472 8.0025 8.0122 8.0897 8.0971 k = 0.1522 0.2636-0.0000 ( 9231 PWs) bands (ev): -13.5531 -13.5531 -13.5531 -13.5530 -13.5490 -13.5490 -13.5490 -13.5490 -11.0148 -11.0147 -11.0144 -11.0144 -10.9943 -10.9943 -10.9942 -10.9942 -10.9768 -10.9768 -10.9768 -10.9768 -8.0461 -8.0461 -7.8992 -7.8991 -7.6579 -7.6577 -7.4811 -7.4810 -3.1215 -3.1210 -3.0958 -3.0952 1.1280 1.1469 1.2869 1.3041 1.4425 1.4915 1.6704 1.7493 1.9293 2.0526 2.3095 2.3611 2.5608 2.6767 2.8111 2.8613 2.9490 2.9756 3.2359 3.3025 3.5550 3.6050 3.8178 3.8766 6.3153 6.3569 6.5542 6.5842 7.4853 7.5168 7.8055 7.8148 7.9863 7.9997 8.0628 8.0723 k = 0.1449 0.2510-0.0000 ( 9251 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5529 -13.5491 -13.5490 -13.5490 -13.5490 -11.0137 -11.0136 -11.0134 -11.0133 -10.9941 -10.9941 -10.9940 -10.9940 -10.9772 -10.9772 -10.9772 -10.9772 -8.0699 -8.0699 -7.9199 -7.9198 -7.6709 -7.6707 -7.4885 -7.4884 -3.1027 -3.1022 -3.0679 -3.0673 1.1629 1.1796 1.3384 1.3562 1.4956 1.5413 1.6992 1.7698 1.9819 2.0963 2.3573 2.3983 2.5964 2.7106 2.8193 2.8794 2.9592 2.9831 3.2603 3.3211 3.5781 3.6225 3.8250 3.8738 6.2766 6.3127 6.5126 6.5358 7.4572 7.4872 7.7704 7.7787 7.9680 7.9847 8.0342 8.0460 k = 0.1377 0.2385-0.0000 ( 9245 PWs) bands (ev): -13.5529 -13.5529 -13.5528 -13.5528 -13.5491 -13.5490 -13.5490 -13.5490 -11.0126 -11.0125 -11.0123 -11.0122 -10.9939 -10.9939 -10.9938 -10.9938 -10.9776 -10.9776 -10.9776 -10.9776 -8.0931 -8.0931 -7.9401 -7.9400 -7.6839 -7.6837 -7.4961 -7.4961 -3.0848 -3.0843 -3.0403 -3.0398 1.2011 1.2158 1.3876 1.4054 1.5512 1.5943 1.7290 1.7902 2.0362 2.1408 2.4043 2.4348 2.6319 2.7416 2.8300 2.8981 2.9704 2.9923 3.2837 3.3385 3.6022 3.6414 3.8307 3.8697 6.2369 6.2677 6.4687 6.4856 7.4302 7.4584 7.7314 7.7389 7.9472 7.9670 8.0037 8.0180 k = 0.1304 0.2259-0.0000 ( 9241 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5527 -13.5490 -13.5490 -13.5490 -13.5490 -11.0115 -11.0114 -11.0112 -11.0111 -10.9937 -10.9937 -10.9936 -10.9936 -10.9779 -10.9779 -10.9779 -10.9779 -8.1155 -8.1155 -7.9599 -7.9598 -7.6968 -7.6967 -7.5039 -7.5039 -3.0678 -3.0674 -3.0132 -3.0127 1.2424 1.2552 1.4330 1.4502 1.6083 1.6496 1.7620 1.8130 2.0910 2.1854 2.4500 2.4710 2.6667 2.7686 2.8449 2.9173 2.9826 3.0028 3.3060 3.3547 3.6271 3.6615 3.8343 3.8640 6.1964 6.2221 6.4224 6.4335 7.4044 7.4306 7.6889 7.6955 7.9236 7.9465 7.9717 7.9886 k = 0.1232 0.2134-0.0000 ( 9253 PWs) bands (ev): -13.5527 -13.5527 -13.5527 -13.5527 -13.5490 -13.5490 -13.5490 -13.5490 -11.0104 -11.0103 -11.0101 -11.0100 -10.9935 -10.9935 -10.9935 -10.9935 -10.9783 -10.9783 -10.9783 -10.9783 -8.1372 -8.1372 -7.9790 -7.9789 -7.7096 -7.7095 -7.5119 -7.5118 -3.0518 -3.0515 -2.9867 -2.9862 1.2870 1.2980 1.4731 1.4887 1.6657 1.7061 1.8010 1.8408 2.1452 2.2294 2.4945 2.5071 2.7008 2.7908 2.8654 2.9369 2.9957 3.0141 3.3271 3.3698 3.6527 3.6824 3.8355 3.8564 6.1555 6.1764 6.3738 6.3795 7.3799 7.4040 7.6428 7.6486 7.8973 7.9220 7.9397 7.9583 k = 0.1159 0.2008-0.0000 ( 9247 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5490 -13.5490 -13.5490 -13.5490 -11.0093 -11.0092 -11.0090 -11.0090 -10.9933 -10.9933 -10.9933 -10.9933 -10.9786 -10.9786 -10.9786 -10.9786 -8.1580 -8.1580 -7.9975 -7.9974 -7.7222 -7.7220 -7.5198 -7.5198 -3.0369 -3.0366 -2.9610 -2.9606 1.3346 1.3440 1.5066 1.5199 1.7222 1.7621 1.8474 1.8758 2.1984 2.2722 2.5374 2.5434 2.7338 2.8094 2.8908 2.9571 3.0098 3.0259 3.3470 3.3836 3.6788 3.7039 3.8340 3.8465 6.1145 6.1307 6.3227 6.3235 7.3568 7.3786 7.5936 7.5986 7.8682 7.8913 7.9108 7.9280 k = 0.1087 0.1883-0.0000 ( 9255 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5490 -13.5490 -13.5490 -13.5490 -11.0083 -11.0082 -11.0080 -11.0080 -10.9932 -10.9932 -10.9931 -10.9931 -10.9790 -10.9790 -10.9789 -10.9789 -8.1779 -8.1779 -8.0152 -8.0152 -7.7344 -7.7342 -7.5277 -7.5277 -3.0231 -3.0228 -2.9362 -2.9358 1.3851 1.3930 1.5331 1.5435 1.7776 1.8160 1.9011 1.9193 2.2499 2.3133 2.5786 2.5801 2.7657 2.8267 2.9191 2.9779 3.0247 3.0381 3.3654 3.3961 3.7045 3.7253 3.8298 3.8346 6.0736 6.0854 6.2655 6.2691 7.3349 7.3542 7.5417 7.5459 7.8372 7.8565 7.8845 7.8981 k = 0.1014 0.1757-0.0000 ( 9253 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0073 -11.0072 -11.0071 -11.0070 -10.9930 -10.9929 -10.9929 -10.9929 -10.9793 -10.9793 -10.9793 -10.9792 -8.1968 -8.1968 -8.0321 -8.0321 -7.7462 -7.7461 -7.5355 -7.5355 -3.0103 -3.0100 -2.9125 -2.9121 1.4384 1.4446 1.5528 1.5606 1.8319 1.8671 1.9605 1.9710 2.2994 2.3524 2.6169 2.6177 2.7965 2.8449 2.9487 2.9991 3.0407 3.0510 3.3822 3.4070 3.7281 3.7447 3.8218 3.8241 6.0330 6.0408 6.2057 6.2131 7.3140 7.3308 7.4876 7.4909 7.8056 7.8211 7.8589 7.8692 k = 0.0942 0.1632-0.0000 ( 9243 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5524 -13.5489 -13.5489 -13.5489 -13.5489 -11.0064 -11.0063 -11.0062 -11.0062 -10.9927 -10.9927 -10.9927 -10.9927 -10.9796 -10.9796 -10.9796 -10.9795 -8.2146 -8.2146 -8.0482 -8.0481 -7.7575 -7.7574 -7.5431 -7.5431 -2.9986 -2.9984 -2.8899 -2.8896 1.4940 1.4981 1.5666 1.5728 1.8850 1.9157 2.0234 2.0284 2.3462 2.3891 2.6537 2.6545 2.8265 2.8653 2.9783 3.0200 3.0589 3.0651 3.3973 3.4161 3.7442 3.7551 3.8147 3.8217 5.9928 5.9968 6.1440 6.1548 7.2938 7.3079 7.4319 7.4345 7.7752 7.7877 7.8336 7.8414 k = 0.0870 0.1506-0.0000 ( 9249 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0056 -11.0055 -11.0055 -11.0054 -10.9925 -10.9924 -10.9924 -10.9924 -10.9799 -10.9798 -10.9798 -10.9798 -8.2313 -8.2313 -8.0632 -8.0632 -7.7683 -7.7682 -7.5505 -7.5505 -2.9880 -2.9878 -2.8687 -2.8683 1.5512 1.5517 1.5757 1.5834 1.9365 1.9621 2.0877 2.0890 2.3900 2.4233 2.6886 2.6899 2.8562 2.8887 3.0061 3.0391 3.0807 3.0819 3.4102 3.4235 3.7442 3.7458 3.8236 3.8307 5.9530 5.9537 6.0808 6.0944 7.2739 7.2854 7.3755 7.3772 7.7480 7.7580 7.8087 7.8147 k = 0.0797 0.1381-0.0000 ( 9243 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0049 -11.0048 -11.0048 -11.0047 -10.9921 -10.9921 -10.9921 -10.9921 -10.9801 -10.9801 -10.9801 -10.9801 -8.2469 -8.2469 -8.0773 -8.0772 -7.7785 -7.7784 -7.5575 -7.5575 -2.9784 -2.9782 -2.8488 -2.8485 1.5785 1.5813 1.6109 1.6183 1.9857 2.0063 2.1504 2.1519 2.4304 2.4549 2.7201 2.7247 2.8862 2.9154 3.0300 3.0552 3.1037 3.1075 3.4208 3.4286 3.7213 3.7277 3.8439 3.8514 5.9112 5.9136 6.0165 6.0323 7.2541 7.2629 7.3191 7.3201 7.7254 7.7335 7.7847 7.7895 k = 0.0725 0.1255-0.0000 ( 9247 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5487 -13.5487 -13.5487 -13.5487 -11.0043 -11.0042 -11.0042 -11.0042 -10.9918 -10.9918 -10.9918 -10.9917 -10.9803 -10.9803 -10.9803 -10.9803 -8.2612 -8.2612 -8.0903 -8.0903 -7.7880 -7.7879 -7.5642 -7.5641 -2.9698 -2.9697 -2.8303 -2.8301 1.5830 1.5843 1.6712 1.6747 2.0320 2.0476 2.2110 2.2147 2.4671 2.4837 2.7492 2.7576 2.9169 2.9450 3.0489 3.0689 3.1319 3.1387 3.4288 3.4314 3.6892 3.7011 3.8678 3.8772 5.8692 5.8743 5.9519 5.9691 7.2340 7.2404 7.2638 7.2643 7.7087 7.7152 7.7619 7.7660 k = 0.0652 0.1130-0.0000 ( 9235 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0038 -11.0037 -11.0037 -11.0037 -10.9914 -10.9914 -10.9914 -10.9914 -10.9806 -10.9805 -10.9805 -10.9805 -8.2743 -8.2743 -8.1022 -8.1022 -7.7968 -7.7967 -7.5703 -7.5703 -2.9622 -2.9621 -2.8135 -2.8132 1.5844 1.5855 1.7317 1.7332 2.0744 2.0854 2.2698 2.2750 2.4997 2.5098 2.7767 2.7881 2.9483 2.9762 3.0639 3.0813 3.1657 3.1732 3.4312 3.4336 3.6521 3.6683 3.8931 3.9045 5.8271 5.8348 5.8886 5.9061 7.2096 7.2101 7.2145 7.2183 7.6981 7.7036 7.7409 7.7446 k = 0.0580 0.1004-0.0000 ( 9243 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0034 -11.0033 -11.0033 -11.0033 -10.9910 -10.9910 -10.9910 -10.9910 -10.9807 -10.9807 -10.9807 -10.9807 -8.2861 -8.2861 -8.1130 -8.1130 -7.8048 -7.8047 -7.5760 -7.5760 -2.9556 -2.9555 -2.7982 -2.7980 1.5843 1.5855 1.7916 1.7919 2.1123 2.1189 2.3255 2.3321 2.5281 2.5331 2.8033 2.8166 2.9794 3.0065 3.0781 3.0940 3.2032 3.2099 3.4274 3.4346 3.6120 3.6315 3.9186 3.9317 5.7826 5.7936 5.8298 5.8457 7.1597 7.1600 7.1937 7.1961 7.6932 7.6981 7.7222 7.7260 k = 0.0507 0.0879-0.0000 ( 9235 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5485 -13.5485 -13.5485 -13.5485 -11.0030 -11.0030 -11.0030 -11.0030 -10.9907 -10.9906 -10.9906 -10.9906 -10.9809 -10.9809 -10.9809 -10.9809 -8.2966 -8.2966 -8.1226 -8.1225 -7.8120 -7.8119 -7.5812 -7.5812 -2.9498 -2.9497 -2.7846 -2.7844 1.5836 1.5847 1.8487 1.8507 2.1450 2.1475 2.3774 2.3849 2.5523 2.5536 2.8302 2.8436 3.0079 3.0320 3.0955 3.1088 3.2423 3.2476 3.4190 3.4305 3.5708 3.5930 3.9439 3.9581 5.7326 5.7475 5.7802 5.7928 7.1133 7.1137 7.1741 7.1751 7.6911 7.6959 7.7084 7.7125 k = 0.0435 0.0753-0.0000 ( 9243 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0028 -11.0028 -11.0028 -11.0028 -10.9903 -10.9903 -10.9902 -10.9902 -10.9811 -10.9811 -10.9810 -10.9810 -8.3058 -8.3058 -8.1310 -8.1309 -7.8183 -7.8182 -7.5857 -7.5857 -2.9449 -2.9448 -2.7727 -2.7726 1.5824 1.5834 1.9036 1.9073 2.1707 2.1719 2.4246 2.4327 2.5712 2.5725 2.8581 2.8705 3.0311 3.0491 3.1193 3.1278 3.2812 3.2847 3.4044 3.4187 3.5321 3.5554 3.9684 3.9829 5.6782 5.6950 5.7407 5.7507 7.0716 7.0722 7.1556 7.1557 7.6846 7.6865 7.7087 7.7102 k = 0.0362 0.0628-0.0000 ( 9237 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0026 -11.0026 -11.0026 -11.0026 -10.9899 -10.9899 -10.9899 -10.9899 -10.9812 -10.9812 -10.9812 -10.9812 -8.3135 -8.3135 -8.1381 -8.1381 -7.8237 -7.8237 -7.5896 -7.5896 -2.9409 -2.9408 -2.7626 -2.7625 1.5810 1.5820 1.9551 1.9605 2.1883 2.1927 2.4663 2.4744 2.5859 2.5886 2.8878 2.8982 3.0472 3.0588 3.1477 3.1515 3.3177 3.3190 3.3823 3.3966 3.5008 3.5220 3.9916 4.0056 5.6251 5.6413 5.7079 5.7165 7.0355 7.0361 7.1385 7.1389 7.6742 7.6748 7.7168 7.7173 k = 0.0290 0.0502-0.0000 ( 9239 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0025 -11.0025 -11.0025 -11.0025 -10.9896 -10.9896 -10.9896 -10.9896 -10.9813 -10.9813 -10.9813 -10.9813 -8.3199 -8.3199 -8.1440 -8.1439 -7.8282 -7.8281 -7.5929 -7.5929 -2.9376 -2.9375 -2.7543 -2.7542 1.5798 1.5805 2.0021 2.0089 2.2003 2.2071 2.5018 2.5095 2.5977 2.6009 2.9196 2.9277 3.0570 3.0639 3.1769 3.1780 3.3390 3.3408 3.3632 3.3719 3.4789 3.4948 4.0128 4.0254 5.5771 5.5915 5.6807 5.6880 7.0054 7.0059 7.1238 7.1245 7.6647 7.6649 7.7272 7.7273 k = 0.0217 0.0377-0.0000 ( 9229 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0024 -11.0024 -11.0024 -11.0024 -10.9894 -10.9894 -10.9894 -10.9894 -10.9814 -10.9814 -10.9813 -10.9813 -8.3249 -8.3249 -8.1485 -8.1485 -7.8317 -7.8316 -7.5954 -7.5954 -2.9351 -2.9350 -2.7478 -2.7477 1.5786 1.5792 2.0433 2.0509 2.2069 2.2152 2.5304 2.5371 2.6067 2.6098 2.9532 2.9589 3.0624 3.0661 3.2037 3.2037 3.3091 3.3132 3.3846 3.3855 3.4636 3.4737 4.0313 4.0416 5.5371 5.5487 5.6590 5.6648 6.9816 6.9821 7.1121 7.1129 7.6570 7.6571 7.7375 7.7376 k = 0.0145 0.0251-0.0000 ( 9241 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9892 -10.9892 -10.9892 -10.9892 -10.9814 -10.9814 -10.9814 -10.9814 -8.3285 -8.3285 -8.1518 -8.1518 -7.8342 -7.8342 -7.5973 -7.5973 -2.9333 -2.9333 -2.7432 -2.7431 1.5778 1.5782 2.0770 2.0844 2.2092 2.2173 2.5519 2.5568 2.6128 2.6153 2.9869 2.9905 3.0643 3.0658 3.2254 3.2257 3.2725 3.2744 3.4053 3.4061 3.4522 3.4573 4.0460 4.0533 5.5074 5.5156 5.6433 5.6473 6.9646 6.9649 7.1037 7.1043 7.6515 7.6515 7.7463 7.7463 k = 0.0072 0.0126-0.0000 ( 9253 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9891 -10.9891 -10.9891 -10.9891 -10.9815 -10.9815 -10.9814 -10.9814 -8.3307 -8.3307 -8.1538 -8.1538 -7.8357 -7.8357 -7.5984 -7.5984 -2.9322 -2.9322 -2.7404 -2.7403 1.5773 1.5775 2.1010 2.1059 2.2097 2.2151 2.5657 2.5684 2.6166 2.6180 3.0167 3.0183 3.0623 3.0626 3.2380 3.2384 3.2450 3.2456 3.4196 3.4211 3.4436 3.4450 4.0561 4.0599 5.4897 5.4939 5.6340 5.6361 6.9543 6.9544 7.0987 7.0990 7.6482 7.6482 7.7521 7.7521 k = 0.0000 0.0000 0.0000 ( 9261 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3314 -8.3314 -8.1544 -8.1544 -7.8362 -7.8362 -7.5988 -7.5988 -2.9319 -2.9319 -2.7394 -2.7394 1.5772 1.5772 2.1117 2.1117 2.2114 2.2114 2.5713 2.5713 2.6183 2.6183 3.0317 3.0317 3.0587 3.0587 3.2300 3.2300 3.2466 3.2466 3.4268 3.4268 3.4392 3.4392 4.0609 4.0609 5.4851 5.4851 5.6316 5.6316 6.9509 6.9509 7.0971 7.0971 7.6471 7.6471 7.7541 7.7541 k = 0.0000 0.0000 0.0000 ( 9261 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3314 -8.3314 -8.1544 -8.1544 -7.8362 -7.8362 -7.5988 -7.5988 -2.9319 -2.9319 -2.7394 -2.7394 1.5772 1.5772 2.1117 2.1117 2.2114 2.2114 2.5713 2.5713 2.6183 2.6183 3.0317 3.0317 3.0587 3.0587 3.2300 3.2300 3.2466 3.2466 3.4268 3.4268 3.4392 3.4392 4.0609 4.0609 5.4851 5.4851 5.6316 5.6316 6.9509 6.9509 7.0971 7.0971 7.6471 7.6471 7.7541 7.7541 k = 0.0000 0.0000 0.0136 ( 9261 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3309 -8.3309 -8.1557 -8.1557 -7.8346 -7.8346 -7.5996 -7.5996 -2.9311 -2.9311 -2.7403 -2.7403 1.5788 1.5788 2.1033 2.1033 2.2191 2.2191 2.5699 2.5699 2.6198 2.6198 3.0272 3.0272 3.0591 3.0591 3.2235 3.2235 3.2532 3.2532 3.4322 3.4322 3.4387 3.4387 4.0589 4.0589 5.4857 5.4857 5.6311 5.6311 6.9515 6.9515 7.0964 7.0964 7.6476 7.6476 7.7536 7.7536 k = 0.0000 0.0000 0.0272 ( 9237 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3293 -8.3293 -8.1595 -8.1595 -7.8301 -7.8301 -7.6019 -7.6019 -2.9287 -2.9287 -2.7428 -2.7428 1.5836 1.5836 2.0829 2.0829 2.2372 2.2372 2.5661 2.5661 2.6240 2.6240 3.0145 3.0145 3.0602 3.0602 3.2125 3.2125 3.2645 3.2645 3.4374 3.4374 3.4477 3.4477 4.0528 4.0528 5.4878 5.4878 5.6293 5.6293 6.9532 6.9532 7.0943 7.0943 7.6490 7.6490 7.7523 7.7523 k = 0.0000 0.0000 0.0408 ( 9219 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3267 -8.3267 -8.1655 -8.1655 -7.8229 -7.8229 -7.6058 -7.6058 -2.9247 -2.9247 -2.7470 -2.7470 1.5915 1.5915 2.0568 2.0568 2.2595 2.2595 2.5605 2.5605 2.6304 2.6304 2.9953 2.9953 3.0620 3.0620 3.2010 3.2010 3.2764 3.2764 3.4351 3.4351 3.4714 3.4714 4.0429 4.0429 5.4912 5.4912 5.6265 5.6265 6.9559 6.9559 7.0909 7.0909 7.6512 7.6512 7.7500 7.7500 k = 0.0000 0.0000 0.0544 ( 9225 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3231 -8.3231 -8.1734 -8.1734 -7.8133 -7.8133 -7.6112 -7.6112 -2.9193 -2.9193 -2.7527 -2.7527 1.6025 1.6025 2.0280 2.0280 2.2830 2.2830 2.5533 2.5533 2.6387 2.6387 2.9718 2.9718 3.0646 3.0646 3.1895 3.1895 3.2886 3.2886 3.4319 3.4319 3.5012 3.5012 4.0290 4.0290 5.4959 5.4959 5.6225 5.6225 6.9598 6.9598 7.0863 7.0863 7.6543 7.6543 7.7469 7.7469 k = 0.0000 0.0000 0.0680 ( 9237 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3185 -8.3185 -8.1828 -8.1828 -7.8018 -7.8018 -7.6181 -7.6181 -2.9125 -2.9125 -2.7598 -2.7598 1.6164 1.6164 1.9977 1.9977 2.3067 2.3067 2.5448 2.5448 2.6486 2.6486 2.9456 2.9456 3.0678 3.0678 3.1782 3.1782 3.3006 3.3006 3.4279 3.4279 3.5352 3.5352 4.0116 4.0116 5.5017 5.5017 5.6176 5.6176 6.9647 6.9647 7.0805 7.0805 7.6582 7.6582 7.7430 7.7430 k = 0.0000 0.0000 0.0816 ( 9244 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5482 -13.5482 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3129 -8.3129 -8.1932 -8.1932 -7.7888 -7.7888 -7.6263 -7.6263 -2.9043 -2.9043 -2.7683 -2.7683 1.6330 1.6330 1.9665 1.9665 2.3300 2.3300 2.5351 2.5351 2.6601 2.6601 2.9181 2.9181 3.0718 3.0718 3.1671 3.1671 3.3126 3.3126 3.4230 3.4230 3.5721 3.5721 3.9906 3.9906 5.5084 5.5084 5.6117 5.6117 6.9705 6.9705 7.0737 7.0737 7.6628 7.6628 7.7384 7.7384 k = 0.0000 0.0000 0.0952 ( 9250 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.3064 -8.3064 -8.2043 -8.2043 -7.7747 -7.7747 -7.6359 -7.6359 -2.8950 -2.8950 -2.7780 -2.7780 1.6523 1.6523 1.9349 1.9349 2.3526 2.3526 2.5242 2.5242 2.6732 2.6732 2.8903 2.8903 3.0765 3.0765 3.1564 3.1564 3.3243 3.3243 3.4172 3.4172 3.6107 3.6107 3.9664 3.9664 5.5161 5.5161 5.6049 5.6049 6.9772 6.9772 7.0660 7.0660 7.6680 7.6680 7.7331 7.7331 k = 0.0000 0.0000 0.1088 ( 9262 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.2990 -8.2990 -8.2159 -8.2159 -7.7600 -7.7600 -7.6467 -7.6467 -2.8847 -2.8847 -2.7886 -2.7886 1.6739 1.6739 1.9031 1.9031 2.3744 2.3744 2.5121 2.5121 2.6879 2.6879 2.8628 2.8628 3.0818 3.0818 3.1461 3.1461 3.3358 3.3358 3.4107 3.4107 3.6503 3.6503 3.9392 3.9392 5.5245 5.5245 5.5973 5.5973 6.9847 6.9847 7.0576 7.0576 7.6738 7.6738 7.7273 7.7273 k = 0.0000 0.0000 0.1224 ( 9238 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.2907 -8.2907 -8.2276 -8.2276 -7.7448 -7.7448 -7.6585 -7.6585 -2.8736 -2.8736 -2.8000 -2.8000 1.6977 1.6977 1.8714 1.8714 2.3954 2.3954 2.4988 2.4988 2.7043 2.7043 2.8361 2.8361 3.0878 3.0878 3.1362 3.1362 3.3469 3.3469 3.4035 3.4035 3.6901 3.6901 3.9093 3.9093 5.5334 5.5334 5.5891 5.5891 6.9929 6.9929 7.0486 7.0486 7.6801 7.6801 7.7211 7.7211 k = 0.0000 0.0000 0.1360 ( 9238 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.2816 -8.2816 -8.2392 -8.2392 -7.7295 -7.7295 -7.6714 -7.6714 -2.8618 -2.8618 -2.8120 -2.8120 1.7233 1.7233 1.8400 1.8400 2.4153 2.4153 2.4844 2.4844 2.7223 2.7223 2.8104 2.8104 3.0944 3.0944 3.1268 3.1268 3.3577 3.3577 3.3956 3.3956 3.7296 3.7296 3.8770 3.8770 5.5427 5.5427 5.5803 5.5803 7.0016 7.0016 7.0393 7.0393 7.6867 7.6867 7.7144 7.7144 k = 0.0000 0.0000 0.1496 ( 9226 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5482 -13.5482 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9814 -10.9814 -8.2718 -8.2718 -8.2505 -8.2505 -7.7143 -7.7143 -7.6850 -7.6850 -2.8495 -2.8495 -2.8244 -2.8244 1.7507 1.7507 1.8093 1.8093 2.4342 2.4342 2.4688 2.4688 2.7420 2.7420 2.7861 2.7861 3.1016 3.1016 3.1178 3.1178 3.3679 3.3679 3.3869 3.3869 3.7685 3.7685 3.8425 3.8425 5.5522 5.5522 5.5711 5.5711 7.0108 7.0108 7.0298 7.0298 7.6936 7.6936 7.7076 7.7076 k = 0.0000 0.0000 0.1632 ( 9226 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9815 -10.9815 -8.2615 -8.2615 -8.2614 -8.2614 -7.6994 -7.6994 -7.6994 -7.6994 -2.8370 -2.8370 -2.8370 -2.8370 1.7794 1.7794 1.7794 1.7794 2.4520 2.4520 2.4521 2.4521 2.7632 2.7632 2.7633 2.7633 3.1094 3.1094 3.1095 3.1095 3.3777 3.3777 3.3778 3.3778 3.8062 3.8062 3.8063 3.8063 5.5617 5.5617 5.5617 5.5617 7.0202 7.0202 7.0202 7.0202 7.7006 7.7006 7.7006 7.7006 k = 0.0000 0.0000 0.1632 ( 9226 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9815 -10.9815 -8.2615 -8.2615 -8.2614 -8.2614 -7.6994 -7.6994 -7.6994 -7.6994 -2.8370 -2.8370 -2.8370 -2.8370 1.7794 1.7794 1.7794 1.7794 2.4520 2.4520 2.4521 2.4521 2.7632 2.7632 2.7633 2.7633 3.1094 3.1094 3.1095 3.1095 3.3777 3.3777 3.3778 3.3778 3.8062 3.8062 3.8063 3.8063 5.5617 5.5617 5.5617 5.5617 7.0202 7.0202 7.0202 7.0202 7.7006 7.7006 7.7006 7.7006 k = 0.0125 0.0072 0.1632 ( 9234 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9891 -10.9891 -10.9891 -10.9891 -10.9814 -10.9814 -10.9814 -10.9814 -8.2608 -8.2608 -8.2607 -8.2607 -7.6990 -7.6990 -7.6989 -7.6989 -2.8376 -2.8376 -2.8376 -2.8376 1.7776 1.7776 1.7777 1.7778 2.4483 2.4483 2.4484 2.4485 2.7610 2.7611 2.7615 2.7616 3.1103 3.1103 3.1104 3.1104 3.3730 3.3730 3.3730 3.3731 3.8072 3.8073 3.8081 3.8082 5.5660 5.5660 5.5666 5.5666 7.0227 7.0227 7.0228 7.0228 7.7005 7.7005 7.7005 7.7005 k = 0.0250 0.0144 0.1632 ( 9246 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9892 -10.9892 -10.9892 -10.9892 -10.9814 -10.9814 -10.9814 -10.9814 -8.2587 -8.2587 -8.2587 -8.2587 -7.6977 -7.6977 -7.6977 -7.6977 -2.8395 -2.8395 -2.8395 -2.8395 1.7723 1.7724 1.7725 1.7726 2.4372 2.4373 2.4376 2.4377 2.7552 2.7553 2.7561 2.7563 3.1125 3.1125 3.1126 3.1126 3.3594 3.3595 3.3596 3.3597 3.8109 3.8110 3.8127 3.8127 5.5793 5.5793 5.5806 5.5806 7.0304 7.0304 7.0304 7.0304 7.7002 7.7002 7.7002 7.7002 k = 0.0375 0.0217 0.1632 ( 9246 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0024 -11.0024 -11.0024 -11.0024 -10.9894 -10.9894 -10.9894 -10.9894 -10.9814 -10.9814 -10.9814 -10.9814 -8.2553 -8.2553 -8.2552 -8.2552 -7.6956 -7.6956 -7.6955 -7.6955 -2.8426 -2.8426 -2.8426 -2.8426 1.7636 1.7637 1.7640 1.7640 2.4191 2.4192 2.4196 2.4197 2.7461 2.7462 2.7476 2.7477 3.1149 3.1150 3.1150 3.1151 3.3389 3.3389 3.3395 3.3396 3.8164 3.8165 3.8187 3.8188 5.6010 5.6010 5.6030 5.6030 7.0430 7.0430 7.0432 7.0432 7.7001 7.7001 7.7001 7.7001 k = 0.0500 0.0289 0.1632 ( 9254 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0025 -11.0025 -11.0025 -11.0025 -10.9896 -10.9896 -10.9896 -10.9896 -10.9813 -10.9813 -10.9813 -10.9813 -8.2505 -8.2505 -8.2504 -8.2504 -7.6926 -7.6926 -7.6926 -7.6926 -2.8470 -2.8470 -2.8470 -2.8470 1.7516 1.7516 1.7520 1.7521 2.3944 2.3944 2.3948 2.3949 2.7344 2.7345 2.7364 2.7365 3.1156 3.1157 3.1157 3.1158 3.3144 3.3145 3.3156 3.3156 3.8225 3.8226 3.8253 3.8253 5.6303 5.6303 5.6330 5.6330 7.0605 7.0605 7.0609 7.0609 7.7004 7.7004 7.7005 7.7005 k = 0.0625 0.0361 0.1632 ( 9250 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0026 -11.0026 -11.0026 -11.0026 -10.9899 -10.9899 -10.9899 -10.9899 -10.9812 -10.9812 -10.9812 -10.9812 -8.2443 -8.2443 -8.2443 -8.2443 -7.6888 -7.6888 -7.6888 -7.6888 -2.8526 -2.8526 -2.8526 -2.8526 1.7363 1.7364 1.7368 1.7369 2.3633 2.3634 2.3637 2.3638 2.7205 2.7206 2.7232 2.7234 3.1113 3.1114 3.1122 3.1123 3.2901 3.2901 3.2915 3.2916 3.8282 3.8283 3.8311 3.8312 5.6660 5.6660 5.6695 5.6695 7.0827 7.0827 7.0835 7.0835 7.7016 7.7016 7.7018 7.7018 k = 0.0750 0.0433 0.1632 ( 9242 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0028 -11.0028 -11.0028 -11.0028 -10.9903 -10.9903 -10.9903 -10.9903 -10.9811 -10.9811 -10.9811 -10.9811 -8.2369 -8.2368 -8.2368 -8.2368 -7.6843 -7.6843 -7.6842 -7.6842 -2.8595 -2.8595 -2.8595 -2.8595 1.7179 1.7179 1.7184 1.7185 2.3267 2.3268 2.3269 2.3270 2.7048 2.7049 2.7085 2.7086 3.0986 3.0987 3.1014 3.1015 3.2704 3.2705 3.2715 3.2716 3.8326 3.8326 3.8355 3.8356 5.7070 5.7070 5.7114 5.7114 7.1094 7.1094 7.1108 7.1108 7.7044 7.7044 7.7047 7.7047 k = 0.0875 0.0505 0.1632 ( 9252 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5485 -13.5485 -13.5485 -13.5485 -11.0030 -11.0030 -11.0030 -11.0030 -10.9906 -10.9906 -10.9906 -10.9906 -10.9809 -10.9809 -10.9809 -10.9809 -8.2281 -8.2281 -8.2280 -8.2280 -7.6790 -7.6789 -7.6789 -7.6789 -2.8677 -2.8677 -2.8676 -2.8676 1.6965 1.6966 1.6970 1.6971 2.2851 2.2851 2.2852 2.2852 2.6873 2.6874 2.6925 2.6926 3.0755 3.0756 3.0816 3.0817 3.2582 3.2583 3.2585 3.2585 3.8349 3.8349 3.8377 3.8378 5.7521 5.7521 5.7574 5.7574 7.1403 7.1403 7.1425 7.1425 7.7091 7.7091 7.7096 7.7096 k = 0.1000 0.0577 0.1632 ( 9272 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0033 -11.0033 -11.0033 -11.0033 -10.9910 -10.9910 -10.9910 -10.9910 -10.9807 -10.9807 -10.9807 -10.9807 -8.2180 -8.2180 -8.2180 -8.2180 -7.6729 -7.6729 -7.6729 -7.6729 -2.8771 -2.8771 -2.8771 -2.8771 1.6722 1.6723 1.6727 1.6728 2.2391 2.2392 2.2393 2.2394 2.6682 2.6683 2.6752 2.6753 3.0433 3.0434 3.0537 3.0538 3.2517 3.2517 3.2537 3.2538 3.8347 3.8347 3.8374 3.8374 5.7999 5.7999 5.8062 5.8062 7.1749 7.1749 7.1781 7.1781 7.7164 7.7164 7.7171 7.7171 k = 0.1125 0.0650 0.1632 ( 9278 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0037 -11.0037 -11.0037 -11.0037 -10.9914 -10.9914 -10.9914 -10.9914 -10.9805 -10.9805 -10.9805 -10.9805 -8.2067 -8.2067 -8.2066 -8.2066 -7.6662 -7.6662 -7.6662 -7.6662 -2.8878 -2.8878 -2.8878 -2.8878 1.6453 1.6454 1.6457 1.6458 2.1896 2.1896 2.1901 2.1902 2.6472 2.6473 2.6566 2.6567 3.0054 3.0055 3.0208 3.0209 3.2497 3.2498 3.2537 3.2538 3.8316 3.8316 3.8341 3.8341 5.8495 5.8495 5.8569 5.8569 7.2127 7.2127 7.2171 7.2171 7.7266 7.7266 7.7276 7.7276 k = 0.1250 0.0722 0.1632 ( 9270 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5487 -13.5487 -13.5487 -13.5487 -11.0043 -11.0042 -11.0042 -11.0042 -10.9917 -10.9917 -10.9917 -10.9917 -10.9803 -10.9803 -10.9803 -10.9803 -8.1942 -8.1941 -8.1941 -8.1941 -7.6589 -7.6589 -7.6589 -7.6589 -2.8998 -2.8998 -2.8998 -2.8998 1.6159 1.6160 1.6161 1.6162 2.1374 2.1374 2.1383 2.1383 2.6243 2.6244 2.6367 2.6368 2.9648 2.9649 2.9857 2.9858 3.2501 3.2502 3.2561 3.2562 3.8254 3.8255 3.8277 3.8278 5.8999 5.8999 5.9084 5.9084 7.2530 7.2530 7.2588 7.2588 7.7402 7.7402 7.7416 7.7416 k = 0.1375 0.0794 0.1632 ( 9252 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0049 -11.0049 -11.0049 -11.0049 -10.9920 -10.9920 -10.9920 -10.9920 -10.9801 -10.9801 -10.9801 -10.9801 -8.1804 -8.1804 -8.1804 -8.1804 -7.6510 -7.6510 -7.6510 -7.6510 -2.9131 -2.9131 -2.9130 -2.9130 1.5841 1.5841 1.5842 1.5842 2.0833 2.0834 2.0846 2.0847 2.5994 2.5995 2.6153 2.6154 2.9238 2.9239 2.9506 2.9507 3.2514 3.2515 3.2594 3.2595 3.8162 3.8162 3.8183 3.8183 5.9502 5.9502 5.9598 5.9598 7.2949 7.2949 7.3024 7.3024 7.7574 7.7574 7.7593 7.7593 k = 0.1500 0.0866 0.1632 ( 9252 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0056 -11.0056 -11.0056 -11.0056 -10.9923 -10.9923 -10.9923 -10.9923 -10.9798 -10.9798 -10.9798 -10.9798 -8.1656 -8.1656 -8.1655 -8.1655 -7.6426 -7.6426 -7.6426 -7.6426 -2.9276 -2.9276 -2.9276 -2.9276 1.5498 1.5499 1.5500 1.5501 2.0282 2.0283 2.0300 2.0300 2.5725 2.5726 2.5921 2.5922 2.8837 2.8837 2.9166 2.9167 3.2527 3.2527 3.2627 3.2628 3.8039 3.8039 3.8059 3.8059 5.9998 5.9998 6.0105 6.0105 7.3375 7.3375 7.3469 7.3469 7.7784 7.7784 7.7808 7.7808 k = 0.1625 0.0938 0.1632 ( 9268 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0065 -11.0065 -11.0065 -11.0064 -10.9925 -10.9925 -10.9925 -10.9925 -10.9795 -10.9795 -10.9795 -10.9795 -8.1497 -8.1497 -8.1496 -8.1496 -7.6338 -7.6338 -7.6338 -7.6337 -2.9434 -2.9434 -2.9433 -2.9433 1.5132 1.5133 1.5137 1.5138 1.9729 1.9730 1.9751 1.9752 2.5438 2.5438 2.5672 2.5673 2.8454 2.8454 2.8845 2.8846 3.2534 3.2534 3.2656 3.2656 3.7887 3.7887 3.7906 3.7906 6.0481 6.0481 6.0599 6.0599 7.3800 7.3800 7.3913 7.3913 7.8033 7.8033 7.8061 7.8062 k = 0.1750 0.1010 0.1632 ( 9262 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0074 -11.0074 -11.0074 -11.0074 -10.9927 -10.9927 -10.9927 -10.9927 -10.9792 -10.9792 -10.9792 -10.9792 -8.1327 -8.1327 -8.1327 -8.1326 -7.6246 -7.6246 -7.6246 -7.6245 -2.9603 -2.9603 -2.9603 -2.9603 1.4744 1.4745 1.4753 1.4754 1.9183 1.9184 1.9210 1.9210 2.5133 2.5134 2.5404 2.5405 2.8094 2.8094 2.8545 2.8546 3.2532 3.2532 3.2676 3.2676 3.7709 3.7709 3.7727 3.7728 6.0947 6.0947 6.1076 6.1076 7.4214 7.4214 7.4345 7.4346 7.8320 7.8320 7.8352 7.8352 k = 0.1875 0.1083 0.1632 ( 9244 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5489 -13.5489 -13.5489 -13.5489 -11.0085 -11.0085 -11.0085 -11.0085 -10.9928 -10.9928 -10.9928 -10.9928 -10.9789 -10.9789 -10.9788 -10.9788 -8.1148 -8.1148 -8.1147 -8.1147 -7.6151 -7.6151 -7.6150 -7.6150 -2.9785 -2.9785 -2.9784 -2.9784 1.4335 1.4336 1.4347 1.4348 1.8651 1.8652 1.8683 1.8683 2.4816 2.4817 2.5120 2.5121 2.7759 2.7759 2.8266 2.8266 3.2519 3.2519 3.2685 3.2686 3.7508 3.7508 3.7527 3.7527 6.1393 6.1393 6.1531 6.1531 7.4610 7.4610 7.4758 7.4758 7.8640 7.8640 7.8674 7.8674 k = 0.2000 0.1155 0.1632 ( 9240 PWs) bands (ev): -13.5527 -13.5527 -13.5527 -13.5527 -13.5489 -13.5489 -13.5489 -13.5489 -11.0096 -11.0096 -11.0096 -11.0096 -10.9929 -10.9929 -10.9929 -10.9929 -10.9785 -10.9785 -10.9785 -10.9785 -8.0959 -8.0959 -8.0959 -8.0959 -7.6054 -7.6053 -7.6053 -7.6053 -2.9977 -2.9977 -2.9976 -2.9976 1.3906 1.3907 1.3921 1.3921 1.8142 1.8142 1.8178 1.8178 2.4489 2.4490 2.4822 2.4822 2.7448 2.7449 2.8004 2.8005 3.2492 3.2493 3.2683 3.2683 3.7289 3.7289 3.7310 3.7310 6.1815 6.1816 6.1962 6.1962 7.4981 7.4981 7.5145 7.5145 7.8988 7.8988 7.9022 7.9022 k = 0.2125 0.1227 0.1632 ( 9232 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5528 -13.5489 -13.5489 -13.5489 -13.5489 -11.0109 -11.0109 -11.0108 -11.0108 -10.9929 -10.9929 -10.9929 -10.9929 -10.9781 -10.9781 -10.9781 -10.9781 -8.0763 -8.0763 -8.0762 -8.0762 -7.5955 -7.5955 -7.5954 -7.5954 -3.0179 -3.0179 -3.0179 -3.0179 1.3456 1.3457 1.3474 1.3475 1.7661 1.7662 1.7701 1.7701 2.4158 2.4159 2.4513 2.4513 2.7159 2.7159 2.7758 2.7759 3.2451 3.2451 3.2666 3.2667 3.7056 3.7056 3.7081 3.7081 6.2213 6.2213 6.2366 6.2366 7.5325 7.5325 7.5500 7.5500 7.9355 7.9355 7.9387 7.9387 k = 0.2250 0.1299 0.1632 ( 9228 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -13.5489 -13.5489 -13.5489 -13.5489 -11.0121 -11.0121 -11.0121 -11.0121 -10.9929 -10.9929 -10.9929 -10.9929 -10.9777 -10.9777 -10.9777 -10.9777 -8.0559 -8.0558 -8.0558 -8.0558 -7.5855 -7.5855 -7.5855 -7.5855 -3.0392 -3.0392 -3.0391 -3.0391 1.2988 1.2989 1.3009 1.3009 1.7215 1.7215 1.7258 1.7258 2.3826 2.3826 2.4198 2.4199 2.6886 2.6886 2.7523 2.7523 3.2393 3.2394 3.2635 3.2635 3.6816 3.6816 3.6845 3.6846 6.2583 6.2583 6.2742 6.2743 7.5639 7.5639 7.5824 7.5824 7.9731 7.9731 7.9759 7.9759 k = 0.2375 0.1371 0.1632 ( 9222 PWs) bands (ev): -13.5531 -13.5531 -13.5531 -13.5531 -13.5488 -13.5488 -13.5488 -13.5488 -11.0135 -11.0135 -11.0135 -11.0135 -10.9929 -10.9929 -10.9929 -10.9929 -10.9773 -10.9773 -10.9773 -10.9773 -8.0348 -8.0347 -8.0347 -8.0347 -7.5756 -7.5756 -7.5756 -7.5756 -3.0612 -3.0612 -3.0611 -3.0611 1.2505 1.2506 1.2527 1.2528 1.6806 1.6806 1.6851 1.6852 2.3497 2.3497 2.3883 2.3883 2.6626 2.6627 2.7295 2.7295 3.2319 3.2319 3.2586 3.2586 3.6575 3.6575 3.6610 3.6610 6.2926 6.2926 6.3089 6.3089 7.5924 7.5925 7.6114 7.6115 8.0105 8.0105 8.0127 8.0127 k = 0.2500 0.1443 0.1632 ( 9206 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5488 -13.5488 -13.5488 -13.5488 -11.0148 -11.0148 -11.0148 -11.0148 -10.9929 -10.9929 -10.9929 -10.9929 -10.9769 -10.9769 -10.9769 -10.9769 -8.0131 -8.0131 -8.0130 -8.0130 -7.5658 -7.5658 -7.5658 -7.5658 -3.0840 -3.0840 -3.0839 -3.0839 1.2010 1.2011 1.2033 1.2034 1.6437 1.6437 1.6483 1.6484 2.3174 2.3175 2.3571 2.3571 2.6375 2.6375 2.7070 2.7071 3.2226 3.2226 3.2518 3.2519 3.6338 3.6338 3.6381 3.6381 6.3240 6.3240 6.3406 6.3406 7.6182 7.6182 7.6374 7.6374 8.0468 8.0468 8.0482 8.0482 k = 0.2625 0.1516 0.1632 ( 9206 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5487 -13.5487 -13.5487 -13.5487 -11.0162 -11.0162 -11.0162 -11.0162 -10.9928 -10.9928 -10.9928 -10.9928 -10.9764 -10.9764 -10.9764 -10.9764 -7.9909 -7.9909 -7.9909 -7.9909 -7.5562 -7.5562 -7.5562 -7.5562 -3.1074 -3.1074 -3.1073 -3.1073 1.1508 1.1508 1.1531 1.1532 1.6108 1.6108 1.6155 1.6155 2.2861 2.2861 2.3265 2.3266 2.6129 2.6129 2.6846 2.6847 3.2114 3.2115 3.2431 3.2431 3.6112 3.6112 3.6162 3.6163 6.3525 6.3525 6.3692 6.3692 7.6412 7.6412 7.6604 7.6604 8.0810 8.0810 8.0817 8.0817 k = 0.2750 0.1588 0.1632 ( 9220 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5486 -13.5486 -13.5486 -13.5486 -11.0176 -11.0176 -11.0176 -11.0176 -10.9928 -10.9928 -10.9928 -10.9928 -10.9760 -10.9760 -10.9760 -10.9760 -7.9684 -7.9684 -7.9683 -7.9683 -7.5469 -7.5469 -7.5469 -7.5468 -3.1313 -3.1313 -3.1312 -3.1312 1.1002 1.1003 1.1025 1.1026 1.5818 1.5819 1.5864 1.5864 2.2559 2.2560 2.2971 2.2971 2.5884 2.5885 2.6620 2.6620 3.1984 3.1984 3.2322 3.2322 3.5903 3.5903 3.5960 3.5960 6.3781 6.3781 6.3947 6.3947 7.6617 7.6617 7.6807 7.6807 8.1125 8.1125 8.1125 8.1125 k = 0.2875 0.1660 0.1632 ( 9220 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5485 -13.5485 -13.5485 -13.5485 -11.0190 -11.0189 -11.0189 -11.0189 -10.9927 -10.9927 -10.9927 -10.9927 -10.9755 -10.9755 -10.9755 -10.9755 -7.9456 -7.9455 -7.9455 -7.9455 -7.5380 -7.5380 -7.5379 -7.5379 -3.1554 -3.1554 -3.1554 -3.1554 1.0500 1.0500 1.0522 1.0522 1.5566 1.5566 1.5610 1.5611 2.2272 2.2272 2.2689 2.2690 2.5639 2.5639 2.6389 2.6389 3.1837 3.1837 3.2192 3.2193 3.5714 3.5714 3.5777 3.5778 6.4009 6.4009 6.4172 6.4172 7.6798 7.6798 7.6984 7.6984 8.1403 8.1403 8.1410 8.1410 k = 0.3000 0.1732 0.1632 ( 9226 PWs) bands (ev): -13.5539 -13.5539 -13.5539 -13.5539 -13.5485 -13.5485 -13.5485 -13.5485 -11.0203 -11.0203 -11.0203 -11.0203 -10.9926 -10.9926 -10.9926 -10.9926 -10.9751 -10.9751 -10.9751 -10.9751 -7.9226 -7.9226 -7.9225 -7.9225 -7.5295 -7.5295 -7.5295 -7.5294 -3.1797 -3.1797 -3.1796 -3.1796 1.0004 1.0004 1.0025 1.0025 1.5349 1.5349 1.5391 1.5392 2.2001 2.2001 2.2424 2.2424 2.5391 2.5391 2.6151 2.6151 3.1676 3.1676 3.2044 3.2044 3.5548 3.5549 3.5616 3.5616 6.4208 6.4208 6.4367 6.4367 7.6957 7.6957 7.7136 7.7136 8.1648 8.1648 8.1660 8.1660 k = 0.3125 0.1804 0.1632 ( 9224 PWs) bands (ev): -13.5541 -13.5541 -13.5541 -13.5541 -13.5484 -13.5484 -13.5484 -13.5484 -11.0216 -11.0216 -11.0216 -11.0216 -10.9926 -10.9926 -10.9926 -10.9926 -10.9746 -10.9746 -10.9746 -10.9746 -7.8996 -7.8996 -7.8995 -7.8995 -7.5216 -7.5215 -7.5215 -7.5215 -3.2039 -3.2039 -3.2039 -3.2039 0.9520 0.9520 0.9540 0.9540 1.5165 1.5165 1.5205 1.5205 2.1747 2.1748 2.2176 2.2177 2.5138 2.5138 2.5905 2.5906 3.1504 3.1504 3.1879 3.1879 3.5407 3.5407 3.5476 3.5477 6.4380 6.4380 6.4533 6.4534 7.7096 7.7096 7.7267 7.7267 8.1861 8.1861 8.1876 8.1876 k = 0.3250 0.1876 0.1632 ( 9214 PWs) bands (ev): -13.5543 -13.5543 -13.5543 -13.5543 -13.5483 -13.5483 -13.5483 -13.5483 -11.0229 -11.0229 -11.0229 -11.0229 -10.9925 -10.9925 -10.9925 -10.9925 -10.9742 -10.9742 -10.9742 -10.9742 -7.8767 -7.8766 -7.8766 -7.8766 -7.5143 -7.5142 -7.5142 -7.5142 -3.2279 -3.2279 -3.2279 -3.2279 0.9051 0.9052 0.9070 0.9070 1.5011 1.5012 1.5048 1.5048 2.1514 2.1514 2.1949 2.1949 2.4880 2.4881 2.5651 2.5651 3.1325 3.1325 3.1701 3.1701 3.5288 3.5289 3.5358 3.5358 6.4527 6.4527 6.4673 6.4674 7.7215 7.7215 7.7377 7.7377 8.2041 8.2041 8.2059 8.2059 k = 0.3375 0.1949 0.1632 ( 9218 PWs) bands (ev): -13.5545 -13.5545 -13.5545 -13.5545 -13.5482 -13.5482 -13.5482 -13.5482 -11.0241 -11.0241 -11.0241 -11.0241 -10.9925 -10.9925 -10.9924 -10.9924 -10.9738 -10.9738 -10.9738 -10.9738 -7.8540 -7.8539 -7.8539 -7.8539 -7.5077 -7.5076 -7.5076 -7.5076 -3.2514 -3.2514 -3.2514 -3.2514 0.8602 0.8602 0.8619 0.8620 1.4886 1.4886 1.4919 1.4919 2.1302 2.1302 2.1742 2.1743 2.4618 2.4618 2.5387 2.5388 3.1145 3.1145 3.1515 3.1516 3.5192 3.5192 3.5259 3.5259 6.4650 6.4650 6.4789 6.4789 7.7318 7.7318 7.7468 7.7468 8.2191 8.2191 8.2210 8.2210 k = 0.3500 0.2021 0.1632 ( 9230 PWs) bands (ev): -13.5547 -13.5547 -13.5547 -13.5547 -13.5481 -13.5481 -13.5481 -13.5481 -11.0253 -11.0253 -11.0253 -11.0253 -10.9924 -10.9924 -10.9924 -10.9924 -10.9734 -10.9734 -10.9734 -10.9734 -7.8317 -7.8316 -7.8316 -7.8316 -7.5018 -7.5018 -7.5017 -7.5017 -3.2743 -3.2743 -3.2743 -3.2743 0.8176 0.8176 0.8191 0.8191 1.4785 1.4785 1.4814 1.4815 2.1112 2.1113 2.1559 2.1560 2.4350 2.4350 2.5115 2.5115 3.0967 3.0967 3.1326 3.1327 3.5114 3.5114 3.5178 3.5178 6.4752 6.4752 6.4881 6.4881 7.7404 7.7404 7.7543 7.7543 8.2313 8.2313 8.2333 8.2333 k = 0.3625 0.2093 0.1632 ( 9206 PWs) bands (ev): -13.5548 -13.5548 -13.5548 -13.5548 -13.5480 -13.5480 -13.5480 -13.5480 -11.0264 -11.0264 -11.0264 -11.0264 -10.9923 -10.9923 -10.9923 -10.9923 -10.9730 -10.9730 -10.9730 -10.9730 -7.8099 -7.8099 -7.8098 -7.8098 -7.4967 -7.4967 -7.4967 -7.4966 -3.2963 -3.2963 -3.2963 -3.2963 0.7774 0.7775 0.7788 0.7789 1.4706 1.4706 1.4732 1.4732 2.0947 2.0947 2.1400 2.1401 2.4079 2.4079 2.4835 2.4835 3.0796 3.0796 3.1139 3.1140 3.5053 3.5053 3.5112 3.5112 6.4834 6.4834 6.4953 6.4953 7.7476 7.7476 7.7603 7.7603 8.2410 8.2410 8.2430 8.2430 k = 0.3750 0.2165 0.1632 ( 9206 PWs) bands (ev): -13.5550 -13.5550 -13.5550 -13.5550 -13.5479 -13.5479 -13.5479 -13.5479 -11.0275 -11.0275 -11.0275 -11.0275 -10.9923 -10.9923 -10.9923 -10.9923 -10.9726 -10.9726 -10.9726 -10.9726 -7.7888 -7.7888 -7.7888 -7.7887 -7.4925 -7.4925 -7.4924 -7.4924 -3.3172 -3.3172 -3.3172 -3.3172 0.7401 0.7401 0.7414 0.7414 1.4647 1.4648 1.4669 1.4670 2.0807 2.0807 2.1267 2.1267 2.3805 2.3806 2.4549 2.4549 3.0635 3.0635 3.0958 3.0958 3.5005 3.5005 3.5058 3.5059 6.4899 6.4899 6.5008 6.5008 7.7536 7.7536 7.7651 7.7651 8.2486 8.2486 8.2505 8.2505 k = 0.3875 0.2237 0.1632 ( 9206 PWs) bands (ev): -13.5551 -13.5551 -13.5551 -13.5551 -13.5479 -13.5479 -13.5479 -13.5479 -11.0284 -11.0284 -11.0284 -11.0284 -10.9922 -10.9922 -10.9922 -10.9922 -10.9723 -10.9723 -10.9723 -10.9723 -7.7686 -7.7686 -7.7686 -7.7686 -7.4891 -7.4891 -7.4891 -7.4890 -3.3369 -3.3369 -3.3369 -3.3369 0.7057 0.7058 0.7069 0.7069 1.4605 1.4605 1.4623 1.4624 2.0694 2.0694 2.1159 2.1159 2.3532 2.3532 2.4259 2.4260 3.0487 3.0487 3.0786 3.0786 3.4968 3.4968 3.5016 3.5016 6.4949 6.4949 6.5047 6.5047 7.7586 7.7586 7.7687 7.7687 8.2544 8.2544 8.2561 8.2561 k = 0.4000 0.2309 0.1632 ( 9204 PWs) bands (ev): -13.5553 -13.5553 -13.5553 -13.5553 -13.5478 -13.5478 -13.5478 -13.5478 -11.0293 -11.0293 -11.0293 -11.0293 -10.9922 -10.9922 -10.9922 -10.9922 -10.9719 -10.9719 -10.9719 -10.9719 -7.7495 -7.7495 -7.7495 -7.7495 -7.4866 -7.4866 -7.4865 -7.4865 -3.3551 -3.3551 -3.3550 -3.3550 0.6746 0.6746 0.6755 0.6756 1.4577 1.4577 1.4592 1.4592 2.0609 2.0609 2.1077 2.1078 2.3262 2.3262 2.3969 2.3969 3.0354 3.0354 3.0625 3.0625 3.4941 3.4941 3.4982 3.4983 6.4987 6.4987 6.5074 6.5074 7.7625 7.7625 7.7714 7.7714 8.2586 8.2586 8.2601 8.2601 k = 0.4125 0.2382 0.1632 ( 9206 PWs) bands (ev): -13.5554 -13.5554 -13.5554 -13.5554 -13.5477 -13.5477 -13.5477 -13.5477 -11.0301 -11.0301 -11.0301 -11.0301 -10.9922 -10.9922 -10.9922 -10.9922 -10.9717 -10.9717 -10.9717 -10.9717 -7.7317 -7.7317 -7.7317 -7.7316 -7.4849 -7.4848 -7.4848 -7.4848 -3.3716 -3.3716 -3.3716 -3.3716 0.6467 0.6467 0.6475 0.6476 1.4560 1.4560 1.4571 1.4571 2.0551 2.0552 2.1021 2.1022 2.2999 2.3000 2.3680 2.3681 3.0237 3.0237 3.0478 3.0479 3.4920 3.4920 3.4956 3.4956 6.5014 6.5014 6.5090 6.5090 7.7657 7.7657 7.7734 7.7734 8.2616 8.2616 8.2629 8.2629 k = 0.4250 0.2454 0.1632 ( 9204 PWs) bands (ev): -13.5555 -13.5555 -13.5555 -13.5555 -13.5477 -13.5477 -13.5477 -13.5477 -11.0308 -11.0308 -11.0308 -11.0308 -10.9921 -10.9921 -10.9921 -10.9921 -10.9714 -10.9714 -10.9714 -10.9714 -7.7154 -7.7154 -7.7154 -7.7153 -7.4839 -7.4839 -7.4838 -7.4838 -3.3863 -3.3863 -3.3863 -3.3863 0.6223 0.6223 0.6230 0.6230 1.4551 1.4551 1.4559 1.4560 2.0523 2.0523 2.0989 2.0989 2.2749 2.2749 2.3398 2.3398 3.0137 3.0138 3.0347 3.0347 3.4906 3.4906 3.4936 3.4936 6.5034 6.5034 6.5099 6.5099 7.7683 7.7683 7.7747 7.7747 8.2636 8.2636 8.2647 8.2647 k = 0.4375 0.2526 0.1632 ( 9212 PWs) bands (ev): -13.5556 -13.5556 -13.5556 -13.5556 -13.5476 -13.5476 -13.5476 -13.5476 -11.0314 -11.0314 -11.0314 -11.0314 -10.9921 -10.9921 -10.9921 -10.9921 -10.9712 -10.9712 -10.9712 -10.9712 -7.7009 -7.7009 -7.7008 -7.7008 -7.4835 -7.4835 -7.4835 -7.4834 -3.3991 -3.3991 -3.3990 -3.3990 0.6015 0.6015 0.6021 0.6021 1.4548 1.4548 1.4554 1.4554 2.0522 2.0523 2.0977 2.0977 2.2518 2.2519 2.3126 2.3126 3.0056 3.0056 3.0232 3.0232 3.4895 3.4895 3.4920 3.4920 6.5048 6.5048 6.5102 6.5102 7.7702 7.7703 7.7755 7.7755 8.2649 8.2649 8.2659 8.2659 k = 0.4500 0.2598 0.1632 ( 9204 PWs) bands (ev): -13.5557 -13.5557 -13.5557 -13.5557 -13.5476 -13.5476 -13.5476 -13.5476 -11.0319 -11.0319 -11.0319 -11.0319 -10.9921 -10.9921 -10.9921 -10.9921 -10.9710 -10.9710 -10.9710 -10.9710 -7.6884 -7.6884 -7.6884 -7.6883 -7.4836 -7.4836 -7.4836 -7.4836 -3.4097 -3.4097 -3.4096 -3.4096 0.5844 0.5844 0.5848 0.5848 1.4549 1.4549 1.4553 1.4553 2.0549 2.0549 2.0977 2.0977 2.2317 2.2318 2.2868 2.2869 2.9992 2.9992 3.0134 3.0134 3.4889 3.4889 3.4908 3.4908 6.5057 6.5057 6.5100 6.5100 7.7718 7.7718 7.7759 7.7760 8.2658 8.2658 8.2665 8.2665 k = 0.4625 0.2670 0.1632 ( 9192 PWs) bands (ev): -13.5557 -13.5557 -13.5557 -13.5557 -13.5475 -13.5475 -13.5475 -13.5475 -11.0323 -11.0323 -11.0323 -11.0323 -10.9921 -10.9921 -10.9921 -10.9921 -10.9709 -10.9709 -10.9709 -10.9709 -7.6783 -7.6783 -7.6782 -7.6782 -7.4840 -7.4840 -7.4840 -7.4840 -3.4180 -3.4180 -3.4180 -3.4180 0.5710 0.5710 0.5713 0.5713 1.4552 1.4552 1.4555 1.4555 2.0600 2.0600 2.0977 2.0978 2.2161 2.2161 2.2631 2.2631 2.9946 2.9946 3.0053 3.0053 3.4884 3.4885 3.4899 3.4899 6.5064 6.5064 6.5097 6.5097 7.7730 7.7730 7.7761 7.7761 8.2662 8.2662 8.2668 8.2668 k = 0.4750 0.2742 0.1632 ( 9196 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0325 -11.0325 -11.0325 -11.0325 -10.9921 -10.9921 -10.9921 -10.9921 -10.9708 -10.9708 -10.9708 -10.9708 -7.6708 -7.6708 -7.6707 -7.6707 -7.4845 -7.4845 -7.4845 -7.4845 -3.4241 -3.4241 -3.4241 -3.4241 0.5614 0.5614 0.5616 0.5616 1.4555 1.4555 1.4557 1.4557 2.0671 2.0672 2.0962 2.0962 2.2069 2.2069 2.2420 2.2421 2.9919 2.9919 2.9990 2.9991 3.4883 3.4883 3.4892 3.4892 6.5070 6.5070 6.5092 6.5092 7.7740 7.7740 7.7760 7.7760 8.2665 8.2665 8.2668 8.2669 k = 0.4875 0.2815 0.1632 ( 9188 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0327 -11.0327 -11.0327 -11.0327 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6661 -7.6661 -7.6661 -7.6661 -7.4849 -7.4849 -7.4849 -7.4849 -3.4277 -3.4277 -3.4277 -3.4277 0.5556 0.5556 0.5557 0.5557 1.4558 1.4558 1.4558 1.4558 2.0756 2.0756 2.0916 2.0916 2.2054 2.2055 2.2245 2.2246 2.9910 2.9910 2.9945 2.9946 3.4883 3.4883 3.4887 3.4887 6.5075 6.5075 6.5086 6.5086 7.7747 7.7748 7.7757 7.7758 8.2667 8.2667 8.2668 8.2668 k = 0.5000 0.2887 0.1632 ( 9168 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0328 -11.0328 -10.9920 -10.9920 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6646 -7.6646 -7.6645 -7.6645 -7.4851 -7.4851 -7.4850 -7.4850 -3.4290 -3.4290 -3.4290 -3.4290 0.5537 0.5537 0.5537 0.5537 1.4559 1.4559 1.4559 1.4559 2.0843 2.0843 2.0843 2.0843 2.2118 2.2118 2.2118 2.2118 2.9918 2.9918 2.9919 2.9919 3.4884 3.4884 3.4884 3.4884 6.5081 6.5081 6.5081 6.5081 7.7753 7.7753 7.7753 7.7753 8.2668 8.2668 8.2668 8.2668 k = 0.5000 0.2887 0.1632 ( 9168 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0328 -11.0328 -10.9920 -10.9920 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6646 -7.6646 -7.6645 -7.6645 -7.4851 -7.4851 -7.4850 -7.4850 -3.4290 -3.4290 -3.4290 -3.4290 0.5537 0.5537 0.5537 0.5537 1.4559 1.4559 1.4559 1.4559 2.0843 2.0843 2.0843 2.0843 2.2118 2.2118 2.2118 2.2118 2.9918 2.9918 2.9919 2.9919 3.4884 3.4884 3.4884 3.4884 6.5081 6.5081 6.5081 6.5081 7.7753 7.7753 7.7753 7.7753 8.2668 8.2668 8.2668 8.2668 k = 0.4928 0.3012 0.1632 ( 9188 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0327 -11.0327 -11.0327 -11.0327 -10.9921 -10.9921 -10.9921 -10.9921 -10.9707 -10.9707 -10.9707 -10.9707 -7.6643 -7.6642 -7.6641 -7.6640 -7.4851 -7.4850 -7.4849 -7.4848 -3.4292 -3.4292 -3.4292 -3.4292 0.5538 0.5539 0.5555 0.5556 1.4444 1.4444 1.4634 1.4634 2.0450 2.0450 2.1088 2.1088 2.1926 2.1926 2.2422 2.2422 2.9676 2.9676 3.0139 3.0139 3.4730 3.4730 3.5056 3.5056 6.4970 6.4970 6.5257 6.5257 7.7608 7.7608 7.7906 7.7906 8.2504 8.2504 8.2833 8.2833 k = 0.4855 0.3138 0.1632 ( 9190 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5476 -13.5476 -13.5476 -13.5475 -11.0326 -11.0326 -11.0326 -11.0326 -10.9922 -10.9922 -10.9922 -10.9922 -10.9708 -10.9708 -10.9707 -10.9707 -7.6631 -7.6631 -7.6628 -7.6627 -7.4850 -7.4849 -7.4846 -7.4845 -3.4300 -3.4300 -3.4298 -3.4298 0.5559 0.5559 0.5593 0.5593 1.4293 1.4294 1.4667 1.4667 2.0017 2.0017 2.0974 2.0974 2.2052 2.2052 2.2734 2.2734 2.9424 2.9424 3.0323 3.0323 3.4607 3.4607 3.5237 3.5237 6.4925 6.4925 6.5498 6.5498 7.7471 7.7472 7.8066 7.8066 8.2347 8.2347 8.2994 8.2994 k = 0.4783 0.3263 0.1632 ( 9186 PWs) bands (ev): -13.5557 -13.5557 -13.5557 -13.5557 -13.5476 -13.5476 -13.5476 -13.5476 -11.0323 -11.0323 -11.0323 -11.0323 -10.9925 -10.9925 -10.9925 -10.9925 -10.9708 -10.9708 -10.9708 -10.9708 -7.6612 -7.6612 -7.6607 -7.6606 -7.4848 -7.4847 -7.4841 -7.4841 -3.4312 -3.4312 -3.4309 -3.4309 0.5599 0.5599 0.5650 0.5650 1.4110 1.4111 1.4653 1.4653 1.9574 1.9574 2.0633 2.0633 2.2361 2.2361 2.3030 2.3030 2.9175 2.9175 3.0458 3.0458 3.4526 3.4526 3.5418 3.5418 6.4942 6.4942 6.5800 6.5800 7.7344 7.7344 7.8236 7.8236 8.2202 8.2202 8.3149 8.3149 k = 0.4710 0.3389 0.1632 ( 9194 PWs) bands (ev): -13.5556 -13.5556 -13.5556 -13.5556 -13.5477 -13.5477 -13.5477 -13.5477 -11.0320 -11.0320 -11.0320 -11.0320 -10.9928 -10.9928 -10.9928 -10.9928 -10.9709 -10.9709 -10.9709 -10.9709 -7.6585 -7.6585 -7.6578 -7.6578 -7.4844 -7.4844 -7.4836 -7.4835 -3.4328 -3.4328 -3.4325 -3.4325 0.5657 0.5657 0.5727 0.5727 1.3898 1.3898 1.4590 1.4590 1.9132 1.9132 2.0223 2.0224 2.2689 2.2689 2.3305 2.3305 2.8940 2.8940 3.0533 3.0534 3.4497 3.4497 3.5593 3.5593 6.5017 6.5017 6.6155 6.6155 7.7227 7.7227 7.8417 7.8417 8.2075 8.2075 8.3293 8.3293 k = 0.4638 0.3514 0.1632 ( 9198 PWs) bands (ev): -13.5556 -13.5556 -13.5556 -13.5556 -13.5478 -13.5478 -13.5478 -13.5478 -11.0316 -11.0316 -11.0316 -11.0316 -10.9933 -10.9933 -10.9933 -10.9933 -10.9710 -10.9710 -10.9710 -10.9710 -7.6551 -7.6550 -7.6542 -7.6541 -7.4840 -7.4839 -7.4829 -7.4829 -3.4349 -3.4349 -3.4346 -3.4346 0.5735 0.5735 0.5822 0.5822 1.3660 1.3660 1.4475 1.4475 1.8699 1.8699 1.9785 1.9785 2.2992 2.2992 2.3560 2.3560 2.8727 2.8728 3.0547 3.0547 3.4521 3.4521 3.5756 3.5756 6.5143 6.5143 6.6555 6.6555 7.7123 7.7123 7.8612 7.8612 8.1970 8.1970 8.3424 8.3424 k = 0.4565 0.3640 0.1632 ( 9198 PWs) bands (ev): -13.5555 -13.5555 -13.5554 -13.5554 -13.5479 -13.5479 -13.5479 -13.5479 -11.0311 -11.0311 -11.0311 -11.0311 -10.9938 -10.9938 -10.9938 -10.9938 -10.9712 -10.9712 -10.9711 -10.9711 -7.6509 -7.6508 -7.6498 -7.6498 -7.4835 -7.4834 -7.4823 -7.4822 -3.4374 -3.4374 -3.4370 -3.4370 0.5830 0.5830 0.5937 0.5937 1.3400 1.3400 1.4309 1.4309 1.8278 1.8278 1.9328 1.9329 2.3249 2.3249 2.3805 2.3805 2.8544 2.8544 3.0503 3.0503 3.4594 3.4594 3.5905 3.5905 6.5314 6.5314 6.6990 6.6990 7.7036 7.7036 7.8823 7.8823 8.1892 8.1892 8.3543 8.3543 k = 0.4493 0.3765 0.1632 ( 9196 PWs) bands (ev): -13.5553 -13.5553 -13.5553 -13.5553 -13.5480 -13.5480 -13.5480 -13.5480 -11.0305 -11.0305 -11.0305 -11.0305 -10.9945 -10.9945 -10.9944 -10.9944 -10.9713 -10.9713 -10.9713 -10.9713 -7.6460 -7.6459 -7.6447 -7.6447 -7.4830 -7.4829 -7.4815 -7.4815 -3.4404 -3.4404 -3.4399 -3.4399 0.5943 0.5943 0.6070 0.6071 1.3122 1.3122 1.4095 1.4095 1.7869 1.7869 1.8859 1.8859 2.3453 2.3453 2.4046 2.4046 2.8395 2.8395 3.0413 3.0413 3.4705 3.4705 3.6034 3.6034 6.5522 6.5522 6.7447 6.7447 7.6969 7.6969 7.9051 7.9051 8.1843 8.1843 8.3649 8.3649 k = 0.4420 0.3891 0.1632 ( 9192 PWs) bands (ev): -13.5552 -13.5552 -13.5552 -13.5552 -13.5482 -13.5482 -13.5482 -13.5482 -11.0299 -11.0299 -11.0299 -11.0299 -10.9952 -10.9952 -10.9952 -10.9952 -10.9714 -10.9714 -10.9714 -10.9714 -7.6404 -7.6404 -7.6390 -7.6390 -7.4825 -7.4824 -7.4809 -7.4808 -3.4437 -3.4437 -3.4432 -3.4432 0.6074 0.6074 0.6222 0.6222 1.2830 1.2831 1.3839 1.3839 1.7467 1.7467 1.8379 1.8379 2.3607 2.3608 2.4287 2.4287 2.8279 2.8279 3.0290 3.0290 3.4839 3.4840 3.6142 3.6142 6.5760 6.5760 6.7914 6.7914 7.6926 7.6926 7.9293 7.9293 8.1828 8.1828 8.3742 8.3742 k = 0.4348 0.4016 0.1632 ( 9188 PWs) bands (ev): -13.5550 -13.5550 -13.5550 -13.5550 -13.5483 -13.5483 -13.5483 -13.5483 -11.0291 -11.0291 -11.0291 -11.0291 -10.9960 -10.9960 -10.9960 -10.9960 -10.9715 -10.9715 -10.9715 -10.9715 -7.6343 -7.6342 -7.6327 -7.6326 -7.4820 -7.4820 -7.4802 -7.4802 -3.4473 -3.4473 -3.4468 -3.4468 0.6221 0.6221 0.6392 0.6392 1.2531 1.2531 1.3550 1.3550 1.7067 1.7068 1.7890 1.7890 2.3725 2.3726 2.4523 2.4523 2.8194 2.8194 3.0147 3.0147 3.4983 3.4984 3.6227 3.6227 6.6022 6.6022 6.8376 6.8376 7.6911 7.6911 7.9543 7.9543 8.1850 8.1850 8.3825 8.3825 k = 0.4275 0.4142 0.1632 ( 9194 PWs) bands (ev): -13.5549 -13.5549 -13.5549 -13.5549 -13.5485 -13.5485 -13.5485 -13.5485 -11.0283 -11.0283 -11.0283 -11.0283 -10.9970 -10.9970 -10.9969 -10.9969 -10.9717 -10.9717 -10.9717 -10.9717 -7.6275 -7.6275 -7.6258 -7.6258 -7.4817 -7.4816 -7.4797 -7.4797 -3.4513 -3.4513 -3.4507 -3.4507 0.6383 0.6383 0.6579 0.6579 1.2229 1.2229 1.3240 1.3240 1.6663 1.6664 1.7393 1.7393 2.3823 2.3823 2.4752 2.4752 2.8134 2.8134 2.9993 2.9994 3.5126 3.5126 3.6286 3.6286 6.6302 6.6302 6.8820 6.8820 7.6927 7.6927 7.9791 7.9791 8.1914 8.1914 8.3899 8.3899 k = 0.4203 0.4267 0.1632 ( 9196 PWs) bands (ev): -13.5547 -13.5547 -13.5547 -13.5547 -13.5487 -13.5487 -13.5487 -13.5487 -11.0275 -11.0275 -11.0274 -11.0274 -10.9980 -10.9980 -10.9979 -10.9979 -10.9718 -10.9718 -10.9718 -10.9718 -7.6203 -7.6202 -7.6184 -7.6184 -7.4815 -7.4815 -7.4794 -7.4793 -3.4555 -3.4555 -3.4549 -3.4549 0.6560 0.6561 0.6782 0.6782 1.1929 1.1929 1.2919 1.2919 1.6250 1.6251 1.6890 1.6890 2.3913 2.3914 2.4973 2.4973 2.8091 2.8091 2.9836 2.9836 3.5258 3.5259 3.6320 3.6320 6.6596 6.6596 6.9233 6.9233 7.6977 7.6977 8.0022 8.0023 8.2027 8.2027 8.3965 8.3965 k = 0.4130 0.4393 0.1632 ( 9200 PWs) bands (ev): -13.5545 -13.5545 -13.5545 -13.5545 -13.5489 -13.5489 -13.5489 -13.5489 -11.0265 -11.0265 -11.0265 -11.0265 -10.9990 -10.9990 -10.9990 -10.9990 -10.9719 -10.9719 -10.9719 -10.9719 -7.6126 -7.6125 -7.6106 -7.6105 -7.4816 -7.4816 -7.4793 -7.4793 -3.4599 -3.4599 -3.4593 -3.4593 0.6751 0.6751 0.7002 0.7002 1.1636 1.1636 1.2597 1.2597 1.5825 1.5826 1.6383 1.6383 2.4008 2.4008 2.5187 2.5187 2.8055 2.8056 2.9680 2.9680 3.5375 3.5375 3.6329 3.6329 6.6901 6.6901 6.9603 6.9603 7.7062 7.7062 8.0220 8.0221 8.2191 8.2191 8.4026 8.4026 k = 0.4058 0.4518 0.1632 ( 9212 PWs) bands (ev): -13.5543 -13.5543 -13.5543 -13.5543 -13.5492 -13.5492 -13.5492 -13.5492 -11.0255 -11.0255 -11.0255 -11.0255 -11.0002 -11.0002 -11.0002 -11.0002 -10.9720 -10.9720 -10.9720 -10.9720 -7.6045 -7.6044 -7.6023 -7.6023 -7.4820 -7.4819 -7.4796 -7.4795 -3.4644 -3.4644 -3.4638 -3.4638 0.6953 0.6954 0.7235 0.7236 1.1354 1.1354 1.2284 1.2284 1.5389 1.5389 1.5874 1.5874 2.4115 2.4115 2.5395 2.5395 2.8020 2.8020 2.9525 2.9525 3.5474 3.5474 3.6315 3.6315 6.7212 6.7212 6.9923 6.9923 7.7182 7.7183 8.0373 8.0373 8.2405 8.2405 8.4084 8.4084 k = 0.3986 0.4644 0.1632 ( 9194 PWs) bands (ev): -13.5541 -13.5541 -13.5541 -13.5541 -13.5494 -13.5494 -13.5494 -13.5494 -11.0245 -11.0245 -11.0245 -11.0245 -11.0014 -11.0014 -11.0014 -11.0014 -10.9720 -10.9720 -10.9720 -10.9720 -7.5961 -7.5960 -7.5938 -7.5937 -7.4827 -7.4826 -7.4802 -7.4801 -3.4690 -3.4690 -3.4684 -3.4684 0.7166 0.7166 0.7482 0.7482 1.1089 1.1090 1.1987 1.1987 1.4943 1.4943 1.5366 1.5367 2.4239 2.4239 2.5600 2.5600 2.7976 2.7976 2.9374 2.9374 3.5552 3.5552 3.6279 3.6280 6.7527 6.7527 7.0187 7.0187 7.7334 7.7334 8.0475 8.0475 8.2659 8.2659 8.4140 8.4141 k = 0.3913 0.4769 0.1632 ( 9202 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5496 -13.5496 -13.5496 -13.5496 -11.0234 -11.0234 -11.0234 -11.0234 -11.0027 -11.0027 -11.0026 -11.0026 -10.9721 -10.9721 -10.9721 -10.9721 -7.5874 -7.5874 -7.5850 -7.5850 -7.4839 -7.4838 -7.4812 -7.4812 -3.4736 -3.4736 -3.4730 -3.4730 0.7386 0.7386 0.7740 0.7740 1.0845 1.0845 1.1713 1.1713 1.4492 1.4492 1.4865 1.4865 2.4383 2.4383 2.5804 2.5804 2.7916 2.7917 2.9224 2.9224 3.5612 3.5612 3.6227 3.6227 6.7844 6.7844 7.0390 7.0390 7.7513 7.7514 8.0527 8.0527 8.2934 8.2934 8.4197 8.4197 k = 0.3841 0.4895 0.1632 ( 9206 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5499 -13.5498 -13.5498 -13.5498 -11.0223 -11.0223 -11.0223 -11.0223 -11.0039 -11.0039 -11.0039 -11.0039 -10.9721 -10.9721 -10.9721 -10.9721 -7.5786 -7.5785 -7.5761 -7.5760 -7.4855 -7.4855 -7.4828 -7.4827 -3.4781 -3.4781 -3.4775 -3.4775 0.7610 0.7611 0.8005 0.8006 1.0625 1.0625 1.1467 1.1467 1.4043 1.4043 1.4374 1.4374 2.4547 2.4548 2.6006 2.6006 2.7837 2.7837 2.9074 2.9074 3.5654 3.5654 3.6162 3.6163 6.8160 6.8160 7.0534 7.0534 7.7714 7.7714 8.0532 8.0533 8.3212 8.3212 8.4253 8.4253 k = 0.3768 0.5020 0.1632 ( 9210 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5501 -13.5501 -13.5501 -13.5501 -11.0212 -11.0212 -11.0212 -11.0212 -11.0053 -11.0052 -11.0052 -11.0052 -10.9722 -10.9722 -10.9721 -10.9721 -7.5696 -7.5696 -7.5670 -7.5670 -7.4878 -7.4877 -7.4850 -7.4849 -3.4823 -3.4823 -3.4818 -3.4818 0.7835 0.7836 0.8274 0.8274 1.0434 1.0434 1.1252 1.1252 1.3604 1.3604 1.3900 1.3900 2.4732 2.4732 2.6208 2.6208 2.7733 2.7733 2.8921 2.8921 3.5683 3.5683 3.6090 3.6090 6.8471 6.8471 7.0620 7.0620 7.7931 7.7931 8.0496 8.0496 8.3477 8.3477 8.4309 8.4309 k = 0.3696 0.5146 0.1632 ( 9204 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5503 -13.5503 -13.5503 -13.5503 -11.0201 -11.0201 -11.0200 -11.0200 -11.0066 -11.0066 -11.0065 -11.0065 -10.9722 -10.9722 -10.9722 -10.9722 -7.5607 -7.5606 -7.5580 -7.5579 -7.4907 -7.4906 -7.4878 -7.4877 -3.4862 -3.4862 -3.4857 -3.4857 0.8056 0.8057 0.8538 0.8539 1.0277 1.0278 1.1070 1.1070 1.3185 1.3185 1.3452 1.3452 2.4935 2.4935 2.6407 2.6407 2.7607 2.7607 2.8764 2.8765 3.5701 3.5701 3.6016 3.6016 6.8775 6.8775 7.0649 7.0650 7.8159 7.8159 8.0421 8.0421 8.3716 8.3716 8.4362 8.4362 k = 0.3623 0.5271 0.1632 ( 9212 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -13.5505 -13.5505 -13.5505 -13.5505 -11.0189 -11.0189 -11.0189 -11.0189 -11.0078 -11.0078 -11.0078 -11.0078 -10.9722 -10.9722 -10.9722 -10.9722 -7.5518 -7.5517 -7.5490 -7.5489 -7.4943 -7.4943 -7.4914 -7.4913 -3.4896 -3.4896 -3.4893 -3.4893 0.8266 0.8267 0.8784 0.8784 1.0165 1.0165 1.0918 1.0918 1.2799 1.2799 1.3039 1.3040 2.5153 2.5153 2.6592 2.6593 2.7466 2.7466 2.8601 2.8601 3.5712 3.5712 3.5945 3.5945 6.9068 6.9068 7.0628 7.0628 7.8390 7.8390 8.0311 8.0311 8.3919 8.3919 8.4410 8.4410 k = 0.3551 0.5397 0.1632 ( 9206 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5528 -13.5507 -13.5507 -13.5507 -13.5507 -11.0178 -11.0178 -11.0178 -11.0178 -11.0091 -11.0091 -11.0090 -11.0090 -10.9722 -10.9722 -10.9722 -10.9722 -7.5431 -7.5430 -7.5402 -7.5401 -7.4987 -7.4987 -7.4957 -7.4956 -3.4925 -3.4925 -3.4922 -3.4922 0.8457 0.8457 0.8989 0.8989 1.0111 1.0111 1.0790 1.0790 1.2464 1.2464 1.2678 1.2678 2.5383 2.5384 2.6732 2.6732 2.7346 2.7346 2.8430 2.8430 3.5720 3.5720 3.5882 3.5882 6.9347 6.9347 7.0559 7.0559 7.8620 7.8621 8.0172 8.0172 8.4081 8.4081 8.4449 8.4449 k = 0.3478 0.5522 0.1632 ( 9206 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5509 -13.5509 -13.5509 -13.5509 -11.0168 -11.0168 -11.0168 -11.0168 -11.0102 -11.0102 -11.0101 -11.0101 -10.9722 -10.9722 -10.9722 -10.9722 -7.5346 -7.5345 -7.5316 -7.5316 -7.5039 -7.5039 -7.5009 -7.5008 -3.4947 -3.4947 -3.4945 -3.4945 0.8616 0.8617 0.9125 0.9125 1.0133 1.0134 1.0672 1.0673 1.2203 1.2203 1.2387 1.2387 2.5618 2.5618 2.6742 2.6742 2.7331 2.7331 2.8256 2.8256 3.5726 3.5726 3.5831 3.5831 6.9605 6.9605 7.0448 7.0448 7.8838 7.8839 8.0017 8.0017 8.4200 8.4200 8.4476 8.4476 k = 0.3406 0.5648 0.1632 ( 9200 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0160 -11.0160 -11.0160 -11.0160 -11.0110 -11.0110 -11.0110 -11.0110 -10.9722 -10.9722 -10.9722 -10.9722 -7.5268 -7.5267 -7.5236 -7.5236 -7.5098 -7.5098 -7.5066 -7.5065 -3.4961 -3.4961 -3.4960 -3.4960 0.8727 0.8728 0.9185 0.9186 1.0222 1.0222 1.0554 1.0554 1.2040 1.2040 1.2193 1.2193 2.5834 2.5834 2.6619 2.6619 2.7431 2.7431 2.8094 2.8094 3.5732 3.5732 3.5796 3.5796 6.9834 6.9834 7.0308 7.0308 7.9020 7.9020 7.9871 7.9871 8.4274 8.4274 8.4490 8.4490 k = 0.3333 0.5774 0.1632 ( 9210 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0113 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5178 -7.5176 -7.5150 -7.5149 -7.5108 -7.5106 -3.4965 -3.4965 -3.4965 -3.4965 0.8768 0.8769 0.9199 0.9199 1.0294 1.0294 1.0478 1.0478 1.1986 1.1986 1.2125 1.2126 2.5946 2.5946 2.6527 2.6527 2.7503 2.7504 2.8011 2.8012 3.5734 3.5734 3.5784 3.5784 6.9967 6.9967 7.0203 7.0203 7.9101 7.9101 7.9801 7.9801 8.4299 8.4299 8.4494 8.4494 k = 0.3333 0.5774 0.1632 ( 9210 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0113 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5178 -7.5176 -7.5150 -7.5149 -7.5108 -7.5106 -3.4965 -3.4965 -3.4965 -3.4965 0.8768 0.8769 0.9199 0.9199 1.0294 1.0294 1.0478 1.0478 1.1986 1.1986 1.2125 1.2126 2.5946 2.5946 2.6527 2.6527 2.7503 2.7504 2.8011 2.8012 3.5734 3.5734 3.5784 3.5784 6.9967 6.9967 7.0203 7.0203 7.9101 7.9101 7.9801 7.9801 8.4299 8.4299 8.4494 8.4494 k = 0.3261 0.5648 0.1632 ( 9198 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0160 -11.0160 -11.0160 -11.0160 -11.0110 -11.0110 -11.0110 -11.0110 -10.9722 -10.9722 -10.9722 -10.9722 -7.5271 -7.5270 -7.5239 -7.5239 -7.5095 -7.5095 -7.5064 -7.5063 -3.4961 -3.4961 -3.4959 -3.4959 0.8729 0.8730 0.9184 0.9185 1.0235 1.0235 1.0547 1.0547 1.2040 1.2040 1.2188 1.2188 2.5822 2.5822 2.6636 2.6637 2.7419 2.7419 2.8102 2.8102 3.5734 3.5734 3.5794 3.5794 6.9832 6.9832 7.0310 7.0310 7.9017 7.9017 7.9875 7.9875 8.4274 8.4274 8.4491 8.4491 k = 0.3188 0.5522 0.1632 ( 9196 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5509 -13.5509 -13.5509 -13.5509 -11.0167 -11.0167 -11.0167 -11.0167 -11.0102 -11.0102 -11.0102 -11.0102 -10.9722 -10.9722 -10.9722 -10.9722 -7.5359 -7.5358 -7.5330 -7.5329 -7.5029 -7.5028 -7.4999 -7.4998 -3.4944 -3.4944 -3.4942 -3.4942 0.8628 0.8629 0.9123 0.9124 1.0187 1.0187 1.0655 1.0655 1.2193 1.2193 1.2354 1.2355 2.5560 2.5560 2.6845 2.6845 2.7257 2.7257 2.8297 2.8297 3.5741 3.5742 3.5817 3.5817 6.9599 6.9599 7.0459 7.0459 7.8822 7.8822 8.0042 8.0042 8.4205 8.4205 8.4478 8.4478 k = 0.3116 0.5397 0.1632 ( 9188 PWs) bands (ev): -13.5527 -13.5527 -13.5527 -13.5527 -13.5508 -13.5508 -13.5508 -13.5508 -11.0176 -11.0176 -11.0175 -11.0175 -11.0093 -11.0093 -11.0092 -11.0092 -10.9722 -10.9722 -10.9722 -10.9722 -7.5462 -7.5461 -7.5433 -7.5433 -7.4966 -7.4965 -7.4936 -7.4935 -3.4915 -3.4915 -3.4912 -3.4912 0.8494 0.8495 0.9007 0.9007 1.0215 1.0215 1.0774 1.0774 1.2420 1.2420 1.2598 1.2598 2.5255 2.5255 2.6900 2.6901 2.7252 2.7252 2.8526 2.8526 3.5758 3.5759 3.5850 3.5850 6.9335 6.9335 7.0586 7.0586 7.8583 7.8583 8.0237 8.0237 8.4100 8.4100 8.4454 8.4454 k = 0.3043 0.5271 0.1632 ( 9204 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -13.5506 -13.5506 -13.5506 -13.5506 -11.0184 -11.0184 -11.0184 -11.0184 -11.0082 -11.0082 -11.0082 -11.0082 -10.9722 -10.9722 -10.9722 -10.9722 -7.5577 -7.5576 -7.5549 -7.5549 -7.4908 -7.4908 -7.4879 -7.4879 -3.4873 -3.4873 -3.4868 -3.4868 0.8348 0.8349 0.8855 0.8856 1.0311 1.0311 1.0914 1.0915 1.2692 1.2692 1.2897 1.2897 2.4934 2.4935 2.6712 2.6713 2.7494 2.7495 2.8768 2.8768 3.5785 3.5785 3.5891 3.5891 6.9050 6.9050 7.0683 7.0683 7.8327 7.8327 8.0434 8.0434 8.3966 8.3966 8.4416 8.4416 k = 0.2971 0.5146 0.1632 ( 9216 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -13.5504 -13.5504 -13.5504 -13.5504 -11.0192 -11.0192 -11.0192 -11.0192 -11.0072 -11.0072 -11.0071 -11.0071 -10.9723 -10.9723 -10.9723 -10.9723 -7.5703 -7.5703 -7.5677 -7.5676 -7.4858 -7.4857 -7.4829 -7.4829 -3.4816 -3.4816 -3.4811 -3.4811 0.8206 0.8207 0.8696 0.8697 1.0455 1.0455 1.1085 1.1085 1.2994 1.2994 1.3234 1.3234 2.4612 2.4612 2.6492 2.6492 2.7777 2.7778 2.9015 2.9015 3.5818 3.5818 3.5939 3.5940 6.8751 6.8751 7.0746 7.0746 7.8067 7.8067 8.0623 8.0623 8.3809 8.3810 8.4365 8.4366 k = 0.2899 0.5020 0.1632 ( 9216 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5503 -13.5503 -13.5503 -13.5503 -11.0200 -11.0200 -11.0199 -11.0199 -11.0061 -11.0061 -11.0061 -11.0061 -10.9723 -10.9723 -10.9723 -10.9723 -7.5841 -7.5840 -7.5816 -7.5815 -7.4814 -7.4814 -7.4787 -7.4786 -3.4745 -3.4745 -3.4738 -3.4738 0.8079 0.8080 0.8550 0.8550 1.0633 1.0633 1.1288 1.1288 1.3315 1.3316 1.3595 1.3595 2.4296 2.4296 2.6274 2.6274 2.8067 2.8068 2.9264 2.9264 3.5857 3.5857 3.5994 3.5994 6.8442 6.8442 7.0776 7.0776 7.7810 7.7811 8.0794 8.0795 8.3638 8.3638 8.4302 8.4302 k = 0.2826 0.4895 0.1632 ( 9218 PWs) bands (ev): -13.5533 -13.5533 -13.5533 -13.5533 -13.5501 -13.5501 -13.5501 -13.5501 -11.0206 -11.0206 -11.0206 -11.0206 -11.0051 -11.0051 -11.0051 -11.0051 -10.9724 -10.9724 -10.9724 -10.9724 -7.5990 -7.5990 -7.5966 -7.5966 -7.4779 -7.4779 -7.4752 -7.4752 -3.4658 -3.4658 -3.4650 -3.4650 0.7975 0.7976 0.8427 0.8427 1.0837 1.0837 1.1521 1.1521 1.3653 1.3653 1.3971 1.3971 2.3994 2.3994 2.6070 2.6071 2.8357 2.8357 2.9512 2.9512 3.5900 3.5900 3.6053 3.6053 6.8126 6.8127 7.0771 7.0771 7.7561 7.7561 8.0942 8.0942 8.3458 8.3458 8.4228 8.4228 k = 0.2754 0.4769 0.1632 ( 9222 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5500 -13.5500 -13.5500 -13.5500 -11.0212 -11.0212 -11.0212 -11.0212 -11.0041 -11.0041 -11.0041 -11.0041 -10.9725 -10.9725 -10.9725 -10.9725 -7.6151 -7.6150 -7.6128 -7.6127 -7.4752 -7.4751 -7.4726 -7.4725 -3.4556 -3.4556 -3.4547 -3.4547 0.7900 0.7900 0.8334 0.8335 1.1060 1.1060 1.1782 1.1782 1.4002 1.4003 1.4355 1.4355 2.3714 2.3714 2.5888 2.5888 2.8643 2.8643 2.9758 2.9758 3.5946 3.5947 3.6115 3.6115 6.7808 6.7808 7.0732 7.0732 7.7322 7.7322 8.1057 8.1057 8.3279 8.3279 8.4143 8.4143 k = 0.2681 0.4644 0.1632 ( 9232 PWs) bands (ev): -13.5535 -13.5535 -13.5535 -13.5535 -13.5498 -13.5498 -13.5498 -13.5498 -11.0217 -11.0217 -11.0216 -11.0216 -11.0032 -11.0032 -11.0031 -11.0031 -10.9726 -10.9726 -10.9726 -10.9726 -7.6321 -7.6321 -7.6300 -7.6299 -7.4733 -7.4733 -7.4708 -7.4708 -3.4439 -3.4439 -3.4429 -3.4429 0.7857 0.7857 0.8276 0.8277 1.1298 1.1298 1.2066 1.2066 1.4363 1.4363 1.4742 1.4742 2.3462 2.3462 2.5731 2.5731 2.8922 2.8922 3.0001 3.0001 3.5995 3.5995 3.6179 3.6179 6.7488 6.7488 7.0661 7.0661 7.7095 7.7095 8.1130 8.1130 8.3110 8.3110 8.4049 8.4049 k = 0.2609 0.4518 0.1632 ( 9232 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5497 -13.5497 -13.5497 -13.5497 -11.0220 -11.0220 -11.0220 -11.0220 -11.0023 -11.0023 -11.0022 -11.0022 -10.9727 -10.9727 -10.9727 -10.9727 -7.6502 -7.6502 -7.6482 -7.6481 -7.4724 -7.4723 -7.4700 -7.4699 -3.4306 -3.4306 -3.4295 -3.4295 0.7849 0.7850 0.8255 0.8256 1.1545 1.1545 1.2368 1.2368 1.4735 1.4735 1.5129 1.5129 2.3246 2.3246 2.5604 2.5604 2.9191 2.9192 3.0238 3.0238 3.6045 3.6045 3.6243 3.6243 6.7171 6.7171 7.0560 7.0560 7.6881 7.6881 8.1151 8.1151 8.2960 8.2960 8.3947 8.3947 k = 0.2536 0.4393 0.1632 ( 9236 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5496 -13.5496 -13.5496 -13.5496 -11.0222 -11.0222 -11.0222 -11.0222 -11.0014 -11.0014 -11.0013 -11.0013 -10.9729 -10.9729 -10.9728 -10.9728 -7.6693 -7.6692 -7.6674 -7.6673 -7.4723 -7.4723 -7.4700 -7.4700 -3.4158 -3.4158 -3.4147 -3.4147 0.7879 0.7880 0.8273 0.8273 1.1797 1.1798 1.2681 1.2681 1.5119 1.5119 1.5514 1.5514 2.3071 2.3071 2.5510 2.5511 2.9450 2.9450 3.0470 3.0470 3.6097 3.6097 3.6306 3.6306 6.6857 6.6857 7.0431 7.0431 7.6682 7.6682 8.1113 8.1113 8.2837 8.2837 8.3837 8.3837 k = 0.2464 0.4267 0.1632 ( 9236 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5495 -13.5495 -13.5495 -13.5495 -11.0224 -11.0224 -11.0223 -11.0223 -11.0006 -11.0006 -11.0005 -11.0005 -10.9730 -10.9730 -10.9730 -10.9730 -7.6892 -7.6892 -7.6874 -7.6874 -7.4731 -7.4731 -7.4710 -7.4709 -3.3995 -3.3995 -3.3984 -3.3984 0.7948 0.7948 0.8330 0.8330 1.2051 1.2051 1.3000 1.3000 1.5516 1.5516 1.5898 1.5898 2.2944 2.2944 2.5453 2.5453 2.9695 2.9696 3.0696 3.0696 3.6151 3.6152 3.6366 3.6366 6.6547 6.6547 7.0275 7.0275 7.6497 7.6497 8.1015 8.1015 8.2739 8.2739 8.3721 8.3721 k = 0.2391 0.4142 0.1632 ( 9220 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5494 -13.5494 -13.5494 -13.5494 -11.0224 -11.0224 -11.0223 -11.0223 -10.9998 -10.9998 -10.9997 -10.9997 -10.9732 -10.9732 -10.9732 -10.9732 -7.7100 -7.7099 -7.7083 -7.7083 -7.4749 -7.4748 -7.4729 -7.4728 -3.3819 -3.3819 -3.3808 -3.3808 0.8056 0.8056 0.8427 0.8427 1.2302 1.2302 1.3317 1.3317 1.5928 1.5928 1.6282 1.6282 2.2868 2.2869 2.5432 2.5432 2.9925 2.9926 3.0914 3.0915 3.6207 3.6208 3.6423 3.6423 6.6242 6.6242 7.0094 7.0094 7.6326 7.6326 8.0864 8.0864 8.2657 8.2657 8.3600 8.3600 k = 0.2319 0.4016 0.1632 ( 9224 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5493 -13.5493 -13.5493 -13.5493 -11.0223 -11.0223 -11.0222 -11.0222 -10.9991 -10.9991 -10.9990 -10.9990 -10.9734 -10.9734 -10.9734 -10.9734 -7.7315 -7.7314 -7.7299 -7.7299 -7.4775 -7.4775 -7.4756 -7.4756 -3.3630 -3.3630 -3.3619 -3.3619 0.8204 0.8204 0.8563 0.8563 1.2548 1.2548 1.3623 1.3624 1.6356 1.6356 1.6668 1.6668 2.2849 2.2849 2.5447 2.5448 3.0139 3.0139 3.1126 3.1126 3.6266 3.6266 3.6478 3.6478 6.5943 6.5943 6.9889 6.9889 7.6169 7.6169 8.0671 8.0671 8.2575 8.2575 8.3475 8.3475 k = 0.2246 0.3891 0.1632 ( 9226 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5492 -13.5492 -13.5492 -13.5492 -11.0220 -11.0220 -11.0220 -11.0220 -10.9984 -10.9984 -10.9983 -10.9983 -10.9736 -10.9736 -10.9736 -10.9736 -7.7536 -7.7535 -7.7522 -7.7521 -7.4810 -7.4810 -7.4792 -7.4792 -3.3430 -3.3430 -3.3418 -3.3418 0.8390 0.8391 0.8738 0.8739 1.2787 1.2787 1.3914 1.3914 1.6803 1.6803 1.7062 1.7062 2.2886 2.2886 2.5498 2.5498 3.0334 3.0334 3.1329 3.1329 3.6326 3.6326 3.6530 3.6530 6.5650 6.5650 6.9662 6.9662 7.6026 7.6026 8.0448 8.0448 8.2480 8.2480 8.3347 8.3347 k = 0.2174 0.3765 0.1632 ( 9238 PWs) bands (ev): -13.5538 -13.5538 -13.5538 -13.5538 -13.5492 -13.5492 -13.5492 -13.5492 -11.0217 -11.0217 -11.0217 -11.0217 -10.9978 -10.9978 -10.9977 -10.9977 -10.9739 -10.9739 -10.9739 -10.9739 -7.7762 -7.7762 -7.7750 -7.7749 -7.4854 -7.4853 -7.4837 -7.4837 -3.3218 -3.3218 -3.3207 -3.3207 0.8616 0.8616 0.8951 0.8951 1.3020 1.3020 1.4183 1.4184 1.7267 1.7267 1.7467 1.7468 2.2978 2.2979 2.5582 2.5582 3.0511 3.0511 3.1524 3.1524 3.6385 3.6386 3.6584 3.6584 6.5360 6.5361 6.9413 6.9413 7.5897 7.5897 8.0204 8.0204 8.2360 8.2360 8.3216 8.3216 k = 0.2101 0.3640 0.1632 ( 9226 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5491 -13.5491 -13.5491 -13.5491 -11.0213 -11.0213 -11.0212 -11.0212 -10.9972 -10.9972 -10.9971 -10.9971 -10.9742 -10.9742 -10.9741 -10.9741 -7.7994 -7.7993 -7.7982 -7.7982 -7.4905 -7.4905 -7.4890 -7.4890 -3.2998 -3.2998 -3.2987 -3.2987 0.8878 0.8879 0.9199 0.9199 1.3248 1.3248 1.4429 1.4429 1.7747 1.7748 1.7891 1.7892 2.3124 2.3125 2.5696 2.5696 3.0668 3.0669 3.1711 3.1711 3.6442 3.6442 3.6642 3.6642 6.5075 6.5075 6.9142 6.9142 7.5779 7.5779 7.9944 7.9944 8.2210 8.2210 8.3080 8.3080 k = 0.2029 0.3514 0.1632 ( 9210 PWs) bands (ev): -13.5537 -13.5537 -13.5537 -13.5537 -13.5491 -13.5491 -13.5491 -13.5491 -11.0207 -11.0207 -11.0207 -11.0207 -10.9967 -10.9967 -10.9966 -10.9966 -10.9744 -10.9744 -10.9744 -10.9744 -7.8228 -7.8228 -7.8218 -7.8217 -7.4965 -7.4964 -7.4951 -7.4950 -3.2769 -3.2769 -3.2759 -3.2759 0.9177 0.9177 0.9481 0.9481 1.3475 1.3475 1.4652 1.4652 1.8236 1.8236 1.8341 1.8342 2.3318 2.3318 2.5836 2.5836 3.0807 3.0808 3.1888 3.1889 3.6490 3.6490 3.6712 3.6712 6.4791 6.4792 6.8847 6.8847 7.5674 7.5674 7.9672 7.9672 8.2027 8.2027 8.2935 8.2935 k = 0.1957 0.3389 0.1632 ( 9210 PWs) bands (ev): -13.5536 -13.5536 -13.5536 -13.5536 -13.5491 -13.5491 -13.5491 -13.5491 -11.0201 -11.0201 -11.0200 -11.0200 -10.9962 -10.9962 -10.9961 -10.9961 -10.9747 -10.9747 -10.9747 -10.9747 -7.8465 -7.8465 -7.8456 -7.8455 -7.5031 -7.5031 -7.5018 -7.5018 -3.2535 -3.2535 -3.2525 -3.2525 0.9509 0.9509 0.9793 0.9794 1.3705 1.3705 1.4857 1.4857 1.8721 1.8722 1.8827 1.8828 2.3554 2.3555 2.5997 2.5998 3.0929 3.0929 3.2057 3.2057 3.6529 3.6529 3.6796 3.6796 6.4509 6.4509 6.8530 6.8530 7.5578 7.5578 7.9389 7.9389 8.1813 8.1813 8.2775 8.2775 k = 0.1884 0.3263 0.1632 ( 9218 PWs) bands (ev): -13.5536 -13.5535 -13.5535 -13.5535 -13.5490 -13.5490 -13.5490 -13.5490 -11.0193 -11.0193 -11.0193 -11.0193 -10.9958 -10.9958 -10.9957 -10.9957 -10.9751 -10.9751 -10.9750 -10.9750 -7.8704 -7.8703 -7.8695 -7.8695 -7.5104 -7.5104 -7.5093 -7.5092 -3.2296 -3.2296 -3.2286 -3.2286 0.9872 0.9872 1.0133 1.0133 1.3944 1.3944 1.5050 1.5050 1.9202 1.9203 1.9346 1.9346 2.3827 2.3827 2.6176 2.6176 3.1034 3.1034 3.2215 3.2216 3.6559 3.6560 3.6896 3.6896 6.4225 6.4225 6.8189 6.8189 7.5489 7.5489 7.9097 7.9097 8.1572 8.1572 8.2596 8.2596 k = 0.1812 0.3138 0.1632 ( 9226 PWs) bands (ev): -13.5535 -13.5535 -13.5535 -13.5535 -13.5490 -13.5490 -13.5490 -13.5490 -11.0185 -11.0185 -11.0185 -11.0185 -10.9954 -10.9954 -10.9953 -10.9953 -10.9754 -10.9754 -10.9754 -10.9754 -7.8942 -7.8942 -7.8935 -7.8935 -7.5183 -7.5183 -7.5173 -7.5173 -3.2053 -3.2053 -3.2044 -3.2044 1.0263 1.0263 1.0495 1.0496 1.4197 1.4198 1.5239 1.5239 1.9687 1.9688 1.9882 1.9882 2.4130 2.4131 2.6367 2.6367 3.1125 3.1125 3.2364 3.2364 3.6584 3.6584 3.7009 3.7009 6.3939 6.3939 6.7823 6.7823 7.5406 7.5406 7.8796 7.8796 8.1305 8.1305 8.2394 8.2394 k = 0.1739 0.3012 0.1632 ( 9232 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -13.5490 -13.5490 -13.5490 -13.5490 -11.0176 -11.0176 -11.0176 -11.0176 -10.9951 -10.9951 -10.9950 -10.9950 -10.9758 -10.9758 -10.9757 -10.9757 -7.9181 -7.9180 -7.9174 -7.9174 -7.5268 -7.5267 -7.5259 -7.5258 -3.1810 -3.1809 -3.1801 -3.1801 1.0677 1.0677 1.0877 1.0878 1.4472 1.4472 1.5433 1.5434 2.0177 2.0177 2.0427 2.0427 2.4458 2.4459 2.6565 2.6566 3.1204 3.1205 3.2501 3.2502 3.6607 3.6607 3.7134 3.7135 6.3649 6.3649 6.7433 6.7433 7.5324 7.5324 7.8484 7.8484 8.1016 8.1016 8.2166 8.2166 k = 0.1667 0.2887 0.1632 ( 9246 PWs) bands (ev): -13.5533 -13.5533 -13.5533 -13.5533 -13.5490 -13.5490 -13.5490 -13.5490 -11.0167 -11.0167 -11.0166 -11.0166 -10.9948 -10.9948 -10.9947 -10.9947 -10.9761 -10.9761 -10.9761 -10.9761 -7.9417 -7.9416 -7.9411 -7.9411 -7.5357 -7.5357 -7.5349 -7.5348 -3.1566 -3.1566 -3.1558 -3.1558 1.1109 1.1110 1.1272 1.1273 1.4774 1.4775 1.5641 1.5641 2.0669 2.0670 2.0975 2.0975 2.4806 2.4807 2.6768 2.6769 3.1274 3.1275 3.2627 3.2628 3.6630 3.6630 3.7270 3.7270 6.3352 6.3353 6.7017 6.7017 7.5240 7.5241 7.8161 7.8161 8.0708 8.0708 8.1911 8.1911 k = 0.1594 0.2761 0.1632 ( 9250 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -13.5490 -13.5490 -13.5490 -13.5490 -11.0157 -11.0157 -11.0156 -11.0156 -10.9945 -10.9945 -10.9944 -10.9944 -10.9765 -10.9765 -10.9765 -10.9765 -7.9651 -7.9650 -7.9646 -7.9645 -7.5450 -7.5450 -7.5443 -7.5442 -3.1324 -3.1324 -3.1317 -3.1317 1.1554 1.1555 1.1677 1.1678 1.5109 1.5110 1.5870 1.5870 2.1160 2.1161 2.1521 2.1522 2.5170 2.5171 2.6971 2.6972 3.1338 3.1338 3.2741 3.2741 3.6657 3.6657 3.7415 3.7415 6.3049 6.3049 6.6575 6.6576 7.5150 7.5150 7.7827 7.7827 8.0385 8.0385 8.1629 8.1629 k = 0.1522 0.2636 0.1632 ( 9242 PWs) bands (ev): -13.5531 -13.5531 -13.5531 -13.5531 -13.5490 -13.5490 -13.5490 -13.5490 -11.0146 -11.0146 -11.0146 -11.0146 -10.9943 -10.9943 -10.9942 -10.9942 -10.9768 -10.9768 -10.9768 -10.9768 -7.9881 -7.9880 -7.9877 -7.9876 -7.5546 -7.5546 -7.5540 -7.5539 -3.1085 -3.1085 -3.1079 -3.1079 1.2001 1.2002 1.2090 1.2091 1.5482 1.5482 1.6127 1.6128 2.1646 2.1646 2.2063 2.2063 2.5546 2.5547 2.7172 2.7173 3.1398 3.1398 3.2842 3.2842 3.6690 3.6690 3.7567 3.7567 6.2736 6.2736 6.6108 6.6108 7.5049 7.5049 7.7479 7.7479 8.0050 8.0050 8.1321 8.1321 k = 0.1449 0.2510 0.1632 ( 9234 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -13.5490 -13.5490 -13.5490 -13.5490 -11.0135 -11.0135 -11.0135 -11.0135 -10.9941 -10.9941 -10.9940 -10.9940 -10.9772 -10.9772 -10.9772 -10.9772 -8.0106 -8.0106 -8.0103 -8.0102 -7.5645 -7.5644 -7.5639 -7.5639 -3.0851 -3.0851 -3.0846 -3.0846 1.2435 1.2436 1.2516 1.2516 1.5894 1.5894 1.6421 1.6421 2.2122 2.2123 2.2595 2.2596 2.5930 2.5931 2.7370 2.7370 3.1456 3.1457 3.2928 3.2928 3.6733 3.6733 3.7723 3.7723 6.2413 6.2413 6.5615 6.5615 7.4931 7.4931 7.7118 7.7118 7.9708 7.9708 8.0988 8.0988 k = 0.1377 0.2385 0.1632 ( 9218 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -13.5490 -13.5490 -13.5490 -13.5490 -11.0124 -11.0124 -11.0124 -11.0124 -10.9939 -10.9939 -10.9938 -10.9938 -10.9776 -10.9776 -10.9776 -10.9776 -8.0326 -8.0326 -8.0323 -8.0323 -7.5745 -7.5744 -7.5740 -7.5740 -3.0623 -3.0623 -3.0618 -3.0618 1.2847 1.2848 1.2953 1.2954 1.6346 1.6347 1.6755 1.6756 2.2587 2.2587 2.3115 2.3115 2.6320 2.6321 2.7563 2.7564 3.1515 3.1515 3.2998 3.2998 3.6787 3.6787 3.7882 3.7882 6.2080 6.2080 6.5097 6.5098 7.4793 7.4793 7.6742 7.6742 7.9364 7.9364 8.0635 8.0635 k = 0.1304 0.2259 0.1632 ( 9214 PWs) bands (ev): -13.5528 -13.5528 -13.5528 -13.5528 -13.5490 -13.5490 -13.5490 -13.5490 -11.0113 -11.0113 -11.0113 -11.0113 -10.9937 -10.9937 -10.9936 -10.9936 -10.9779 -10.9779 -10.9779 -10.9779 -8.0540 -8.0540 -8.0537 -8.0537 -7.5846 -7.5845 -7.5842 -7.5841 -3.0402 -3.0402 -3.0398 -3.0398 1.3244 1.3245 1.3389 1.3390 1.6836 1.6837 1.7134 1.7135 2.3036 2.3037 2.3619 2.3619 2.6713 2.6714 2.7756 2.7756 3.1575 3.1575 3.3051 3.3052 3.6854 3.6854 3.8039 3.8039 6.1735 6.1735 6.4555 6.4555 7.4631 7.4631 7.6350 7.6350 7.9025 7.9025 8.0266 8.0266 k = 0.1232 0.2134 0.1632 ( 9218 PWs) bands (ev): -13.5527 -13.5527 -13.5527 -13.5527 -13.5490 -13.5490 -13.5490 -13.5490 -11.0102 -11.0102 -11.0102 -11.0102 -10.9935 -10.9935 -10.9935 -10.9935 -10.9783 -10.9783 -10.9783 -10.9783 -8.0747 -8.0746 -8.0744 -8.0744 -7.5946 -7.5946 -7.5943 -7.5942 -3.0190 -3.0190 -3.0186 -3.0186 1.3630 1.3631 1.3812 1.3813 1.7358 1.7359 1.7559 1.7560 2.3469 2.3469 2.4102 2.4103 2.7104 2.7105 2.7951 2.7952 3.1636 3.1637 3.3087 3.3088 3.6936 3.6936 3.8192 3.8193 6.1379 6.1379 6.3989 6.3989 7.4439 7.4439 7.5942 7.5942 7.8698 7.8698 7.9886 7.9886 k = 0.1159 0.2008 0.1632 ( 9224 PWs) bands (ev): -13.5526 -13.5526 -13.5526 -13.5526 -13.5490 -13.5490 -13.5490 -13.5490 -11.0092 -11.0092 -11.0091 -11.0091 -10.9933 -10.9933 -10.9933 -10.9933 -10.9786 -10.9786 -10.9786 -10.9786 -8.0945 -8.0945 -8.0944 -8.0943 -7.6046 -7.6046 -7.6043 -7.6043 -2.9987 -2.9987 -2.9984 -2.9984 1.4008 1.4009 1.4218 1.4219 1.7904 1.7905 1.8031 1.8031 2.3883 2.3883 2.4562 2.4563 2.7490 2.7491 2.8158 2.8158 3.1699 3.1699 3.3104 3.3105 3.7033 3.7033 3.8337 3.8337 6.1011 6.1011 6.3402 6.3402 7.4216 7.4216 7.5517 7.5518 7.8389 7.8389 7.9505 7.9505 k = 0.1087 0.1883 0.1632 ( 9236 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5490 -13.5490 -13.5490 -13.5490 -11.0081 -11.0081 -11.0081 -11.0081 -10.9932 -10.9932 -10.9931 -10.9931 -10.9790 -10.9790 -10.9789 -10.9789 -8.1136 -8.1135 -8.1134 -8.1134 -7.6145 -7.6144 -7.6142 -7.6142 -2.9794 -2.9794 -2.9792 -2.9792 1.4379 1.4380 1.4604 1.4605 1.8460 1.8460 1.8549 1.8550 2.4277 2.4278 2.4994 2.4995 2.7865 2.7865 2.8387 2.8387 3.1762 3.1763 3.3103 3.3103 3.7143 3.7143 3.8469 3.8470 6.0632 6.0632 6.2795 6.2795 7.3961 7.3961 7.5076 7.5077 7.8105 7.8105 7.9129 7.9129 k = 0.1014 0.1757 0.1632 ( 9248 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0072 -11.0072 -11.0071 -11.0071 -10.9930 -10.9930 -10.9929 -10.9929 -10.9793 -10.9793 -10.9793 -10.9793 -8.1317 -8.1316 -8.1315 -8.1315 -7.6240 -7.6240 -7.6239 -7.6238 -2.9612 -2.9612 -2.9610 -2.9610 1.4742 1.4743 1.4971 1.4972 1.9016 1.9017 1.9110 1.9110 2.4651 2.4652 2.5391 2.5392 2.8222 2.8222 2.8652 2.8652 3.1825 3.1825 3.3083 3.3084 3.7264 3.7264 3.8585 3.8585 6.0242 6.0242 6.2171 6.2172 7.3675 7.3675 7.4621 7.4621 7.7852 7.7852 7.8769 7.8770 k = 0.0942 0.1632 0.1632 ( 9240 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5489 -13.5489 -13.5489 -13.5489 -11.0063 -11.0063 -11.0063 -11.0063 -10.9927 -10.9927 -10.9927 -10.9927 -10.9796 -10.9796 -10.9796 -10.9796 -8.1488 -8.1487 -8.1487 -8.1486 -7.6333 -7.6333 -7.6332 -7.6331 -2.9442 -2.9442 -2.9440 -2.9440 1.5098 1.5099 1.5319 1.5320 1.9577 1.9578 1.9690 1.9690 2.5006 2.5006 2.5749 2.5750 2.8561 2.8561 2.8960 2.8960 3.1886 3.1886 3.3047 3.3047 3.7394 3.7394 3.8679 3.8679 5.9842 5.9842 6.1535 6.1535 7.3361 7.3361 7.4153 7.4153 7.7633 7.7633 7.8433 7.8433 k = 0.0870 0.1506 0.1632 ( 9256 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0055 -11.0055 -11.0055 -11.0055 -10.9924 -10.9924 -10.9924 -10.9924 -10.9798 -10.9798 -10.9798 -10.9798 -8.1648 -8.1648 -8.1648 -8.1647 -7.6422 -7.6422 -7.6421 -7.6421 -2.9283 -2.9283 -2.9282 -2.9282 1.5444 1.5444 1.5648 1.5649 2.0145 2.0145 2.0271 2.0272 2.5340 2.5340 2.6064 2.6065 2.8896 2.8897 2.9301 2.9302 3.1945 3.1945 3.2997 3.2997 3.7527 3.7528 3.8748 3.8748 5.9433 5.9433 6.0890 6.0890 7.3027 7.3027 7.3679 7.3679 7.7450 7.7450 7.8128 7.8128 k = 0.0797 0.1381 0.1632 ( 9264 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5488 -13.5488 -13.5488 -13.5488 -11.0048 -11.0048 -11.0048 -11.0048 -10.9921 -10.9921 -10.9921 -10.9921 -10.9801 -10.9801 -10.9801 -10.9801 -8.1798 -8.1797 -8.1797 -8.1797 -7.6507 -7.6506 -7.6506 -7.6505 -2.9137 -2.9137 -2.9136 -2.9136 1.5777 1.5778 1.5959 1.5960 2.0712 2.0712 2.0842 2.0843 2.5654 2.5655 2.6334 2.6335 2.9245 2.9245 2.9659 2.9659 3.2002 3.2002 3.2936 3.2937 3.7660 3.7660 3.8789 3.8789 5.9017 5.9017 6.0242 6.0242 7.2680 7.2680 7.3205 7.3205 7.7301 7.7301 7.7860 7.7860 k = 0.0725 0.1255 0.1632 ( 9264 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5487 -13.5487 -13.5487 -13.5487 -11.0042 -11.0042 -11.0042 -11.0042 -10.9918 -10.9918 -10.9918 -10.9918 -10.9803 -10.9803 -10.9803 -10.9803 -8.1936 -8.1936 -8.1936 -8.1935 -7.6586 -7.6586 -7.6585 -7.6585 -2.9003 -2.9003 -2.9002 -2.9002 1.6096 1.6097 1.6251 1.6252 2.1270 2.1271 2.1394 2.1395 2.5948 2.5949 2.6563 2.6564 2.9612 2.9613 3.0016 3.0017 3.2060 3.2061 3.2872 3.2872 3.7786 3.7786 3.8800 3.8800 5.8597 5.8597 5.9599 5.9599 7.2329 7.2329 7.2741 7.2741 7.7187 7.7187 7.7630 7.7630 k = 0.0652 0.1130 0.1632 ( 9270 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0037 -11.0037 -11.0037 -11.0037 -10.9914 -10.9914 -10.9914 -10.9914 -10.9805 -10.9805 -10.9805 -10.9805 -8.2063 -8.2062 -8.2062 -8.2062 -7.6660 -7.6659 -7.6659 -7.6659 -2.8882 -2.8882 -2.8882 -2.8882 1.6397 1.6398 1.6523 1.6524 2.1810 2.1811 2.1921 2.1921 2.6224 2.6224 2.6756 2.6757 2.9989 2.9990 3.0360 3.0361 3.2126 3.2127 3.2814 3.2814 3.7900 3.7900 3.8779 3.8780 5.8175 5.8175 5.8968 5.8968 7.1982 7.1982 7.2295 7.2295 7.7102 7.7102 7.7442 7.7442 k = 0.0580 0.1004 0.1632 ( 9268 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5486 -13.5486 -13.5486 -13.5486 -11.0033 -11.0033 -11.0033 -11.0033 -10.9910 -10.9910 -10.9910 -10.9910 -10.9807 -10.9807 -10.9807 -10.9807 -8.2177 -8.2176 -8.2176 -8.2176 -7.6727 -7.6727 -7.6727 -7.6726 -2.8774 -2.8774 -2.8774 -2.8774 1.6676 1.6677 1.6773 1.6774 2.2323 2.2324 2.2415 2.2415 2.6480 2.6481 2.6919 2.6920 3.0354 3.0355 3.0672 3.0673 3.2213 3.2214 3.2778 3.2778 3.7998 3.7998 3.8729 3.8729 5.7757 5.7757 5.8359 5.8359 7.1649 7.1649 7.1877 7.1878 7.7044 7.7044 7.7293 7.7293 k = 0.0507 0.0879 0.1632 ( 9260 PWs) bands (ev): -13.5524 -13.5524 -13.5524 -13.5524 -13.5485 -13.5485 -13.5485 -13.5485 -11.0030 -11.0030 -11.0030 -11.0030 -10.9906 -10.9906 -10.9906 -10.9906 -10.9809 -10.9809 -10.9809 -10.9809 -8.2278 -8.2278 -8.2278 -8.2277 -7.6788 -7.6788 -7.6787 -7.6787 -2.8679 -2.8679 -2.8679 -2.8679 1.6929 1.6930 1.7000 1.7001 2.2800 2.2801 2.2870 2.2871 2.6718 2.6719 2.7061 2.7062 3.0673 3.0674 3.0927 3.0929 3.2341 3.2341 3.2787 3.2788 3.8074 3.8075 3.8652 3.8652 5.7349 5.7349 5.7783 5.7783 7.1338 7.1338 7.1496 7.1496 7.7008 7.7008 7.7181 7.7181 k = 0.0435 0.0753 0.1632 ( 9256 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0028 -11.0028 -11.0028 -11.0028 -10.9903 -10.9903 -10.9903 -10.9903 -10.9811 -10.9811 -10.9811 -10.9811 -8.2367 -8.2366 -8.2366 -8.2366 -7.6841 -7.6841 -7.6841 -7.6841 -2.8597 -2.8597 -2.8597 -2.8597 1.7154 1.7155 1.7202 1.7203 2.3232 2.3233 2.3282 2.3282 2.6935 2.6936 2.7186 2.7187 3.0911 3.0912 3.1102 3.1103 3.2532 3.2533 3.2865 3.2866 3.8127 3.8127 3.8553 3.8553 5.6958 5.6958 5.7252 5.7252 7.1054 7.1055 7.1157 7.1157 7.6989 7.6989 7.7102 7.7102 k = 0.0362 0.0628 0.1632 ( 9246 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5484 -13.5484 -13.5484 -13.5484 -11.0026 -11.0026 -11.0026 -11.0026 -10.9899 -10.9899 -10.9899 -10.9899 -10.9812 -10.9812 -10.9812 -10.9812 -8.2442 -8.2442 -8.2441 -8.2441 -7.6887 -7.6887 -7.6887 -7.6887 -2.8528 -2.8527 -2.8527 -2.8527 1.7348 1.7348 1.7377 1.7378 2.3612 2.3613 2.3644 2.3644 2.7132 2.7133 2.7299 2.7300 3.1053 3.1054 3.1186 3.1187 3.2788 3.2789 3.3015 3.3015 3.8153 3.8154 3.8440 3.8441 5.6596 5.6596 5.6777 5.6777 7.0805 7.0805 7.0866 7.0866 7.6984 7.6984 7.7051 7.7051 k = 0.0290 0.0502 0.1632 ( 9242 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0025 -11.0025 -11.0025 -11.0025 -10.9896 -10.9896 -10.9896 -10.9896 -10.9813 -10.9813 -10.9813 -10.9813 -8.2504 -8.2504 -8.2503 -8.2503 -7.6925 -7.6925 -7.6925 -7.6925 -2.8471 -2.8471 -2.8471 -2.8470 1.7508 1.7508 1.7524 1.7525 2.3932 2.3933 2.3950 2.3951 2.7303 2.7304 2.7401 2.7402 3.1117 3.1118 3.1197 3.1198 3.3078 3.3079 3.3213 3.3214 3.8154 3.8155 3.8325 3.8325 5.6272 5.6272 5.6372 5.6372 7.0594 7.0594 7.0626 7.0626 7.6987 7.6987 7.7022 7.7022 k = 0.0217 0.0377 0.1632 ( 9250 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0024 -11.0024 -11.0024 -11.0024 -10.9894 -10.9894 -10.9894 -10.9894 -10.9814 -10.9814 -10.9814 -10.9814 -8.2552 -8.2552 -8.2552 -8.2552 -7.6955 -7.6955 -7.6955 -7.6955 -2.8427 -2.8427 -2.8427 -2.8427 1.7633 1.7633 1.7641 1.7641 2.4187 2.4187 2.4195 2.4196 2.7443 2.7444 2.7491 2.7492 3.1131 3.1132 3.1169 3.1170 3.3357 3.3358 3.3421 3.3422 3.8135 3.8135 3.8218 3.8219 5.6000 5.6000 5.6046 5.6046 7.0426 7.0426 7.0439 7.0439 7.6993 7.6993 7.7008 7.7008 k = 0.0145 0.0251 0.1632 ( 9250 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9892 -10.9892 -10.9892 -10.9892 -10.9814 -10.9814 -10.9814 -10.9814 -8.2587 -8.2587 -8.2586 -8.2586 -7.6977 -7.6977 -7.6976 -7.6976 -2.8395 -2.8395 -2.8395 -2.8395 1.7722 1.7723 1.7725 1.7726 2.4371 2.4371 2.4375 2.4376 2.7547 2.7548 2.7565 2.7566 3.1119 3.1120 3.1132 3.1133 3.3583 3.3584 3.3604 3.3605 3.8102 3.8103 3.8134 3.8135 5.5791 5.5792 5.5810 5.5810 7.0303 7.0303 7.0307 7.0307 7.7000 7.7000 7.7004 7.7004 k = 0.0072 0.0126 0.1632 ( 9234 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9891 -10.9891 -10.9891 -10.9891 -10.9814 -10.9814 -10.9814 -10.9814 -8.2608 -8.2608 -8.2607 -8.2607 -7.6990 -7.6990 -7.6989 -7.6989 -2.8376 -2.8376 -2.8376 -2.8376 1.7775 1.7776 1.7777 1.7778 2.4482 2.4483 2.4484 2.4485 2.7610 2.7611 2.7615 2.7616 3.1102 3.1103 3.1104 3.1105 3.3728 3.3729 3.3731 3.3732 3.8072 3.8073 3.8082 3.8083 5.5660 5.5660 5.5667 5.5667 7.0227 7.0227 7.0228 7.0228 7.7004 7.7004 7.7005 7.7005 k = 0.0000 0.0000 0.1632 ( 9226 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5483 -13.5483 -13.5483 -13.5483 -11.0023 -11.0023 -11.0023 -11.0023 -10.9890 -10.9890 -10.9890 -10.9890 -10.9815 -10.9815 -10.9815 -10.9815 -8.2615 -8.2615 -8.2614 -8.2614 -7.6994 -7.6994 -7.6994 -7.6994 -2.8370 -2.8370 -2.8370 -2.8370 1.7794 1.7794 1.7794 1.7794 2.4520 2.4520 2.4521 2.4521 2.7632 2.7632 2.7633 2.7633 3.1094 3.1094 3.1095 3.1095 3.3777 3.3777 3.3778 3.3778 3.8062 3.8062 3.8063 3.8063 5.5617 5.5617 5.5617 5.5617 7.0202 7.0202 7.0202 7.0202 7.7006 7.7006 7.7006 7.7006 k = 0.5000 0.2887 0.1632 ( 9168 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0328 -11.0328 -10.9920 -10.9920 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6646 -7.6646 -7.6645 -7.6645 -7.4851 -7.4851 -7.4850 -7.4850 -3.4290 -3.4290 -3.4290 -3.4290 0.5537 0.5537 0.5537 0.5537 1.4559 1.4559 1.4559 1.4559 2.0843 2.0843 2.0843 2.0843 2.2118 2.2118 2.2118 2.2118 2.9918 2.9918 2.9919 2.9919 3.4884 3.4884 3.4884 3.4884 6.5081 6.5081 6.5081 6.5081 7.7753 7.7753 7.7753 7.7753 8.2668 8.2668 8.2668 8.2668 k = 0.5000 0.2887 0.1496 ( 9184 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0327 -11.0327 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6688 -7.6688 -7.6601 -7.6601 -7.4897 -7.4897 -7.4805 -7.4805 -3.4295 -3.4295 -3.4284 -3.4284 0.5444 0.5444 0.5641 0.5641 1.4406 1.4406 1.4687 1.4687 2.0673 2.0673 2.0987 2.0987 2.1919 2.1919 2.2370 2.2370 2.9743 2.9743 3.0119 3.0119 3.4684 3.4684 3.5043 3.5043 6.4909 6.4909 6.5262 6.5262 7.7481 7.7481 7.8035 7.8035 8.2463 8.2463 8.2862 8.2862 k = 0.5000 0.2887 0.1360 ( 9184 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0327 -11.0327 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6728 -7.6728 -7.6554 -7.6554 -7.4946 -7.4946 -7.4763 -7.4763 -3.4301 -3.4301 -3.4278 -3.4278 0.5362 0.5362 0.5753 0.5753 1.4237 1.4237 1.4784 1.4784 2.0516 2.0516 2.1022 2.1022 2.1856 2.1856 2.2634 2.2634 2.9599 2.9599 3.0339 3.0339 3.4448 3.4448 3.5158 3.5158 6.4751 6.4751 6.5448 6.5448 7.7223 7.7223 7.8322 7.8322 8.2256 8.2256 8.3040 8.3040 k = 0.5000 0.2887 0.1224 ( 9180 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0328 -11.0328 -11.0327 -11.0327 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6765 -7.6765 -7.6506 -7.6506 -7.4996 -7.4996 -7.4724 -7.4724 -3.4307 -3.4307 -3.4273 -3.4273 0.5292 0.5292 0.5873 0.5873 1.4060 1.4060 1.4844 1.4844 2.0388 2.0388 2.0910 2.0910 2.1966 2.1966 2.2890 2.2890 2.9490 2.9490 3.0574 3.0574 3.4182 3.4182 3.5225 3.5226 6.4608 6.4608 6.5635 6.5635 7.6983 7.6983 7.8608 7.8608 8.2052 8.2052 8.3196 8.3196 k = 0.5000 0.2887 0.1088 ( 9194 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0327 -11.0327 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6799 -7.6799 -7.6458 -7.6458 -7.5046 -7.5046 -7.4688 -7.4688 -3.4312 -3.4312 -3.4268 -3.4268 0.5233 0.5233 0.5997 0.5997 1.3882 1.3882 1.4864 1.4864 2.0294 2.0294 2.0732 2.0732 2.2165 2.2165 2.3129 2.3129 2.9421 2.9421 3.0821 3.0821 3.3894 3.3894 3.5246 3.5246 6.4484 6.4484 6.5817 6.5817 7.6767 7.6767 7.8888 7.8888 8.1857 8.1857 8.3325 8.3325 k = 0.5000 0.2887 0.0952 ( 9212 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6829 -7.6829 -7.6410 -7.6410 -7.5097 -7.5097 -7.4656 -7.4656 -3.4317 -3.4317 -3.4263 -3.4263 0.5184 0.5184 0.6123 0.6123 1.3709 1.3709 1.4845 1.4845 2.0231 2.0231 2.0552 2.0552 2.2384 2.2384 2.3347 2.3347 2.9393 2.9393 3.1075 3.1075 3.3592 3.3592 3.5220 3.5220 6.4378 6.4378 6.5989 6.5989 7.6575 7.6575 7.9157 7.9157 8.1675 8.1675 8.3424 8.3424 k = 0.5000 0.2887 0.0816 ( 9220 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6856 -7.6856 -7.6363 -7.6363 -7.5145 -7.5145 -7.4627 -7.4627 -3.4322 -3.4322 -3.4259 -3.4259 0.5146 0.5146 0.6246 0.6246 1.3549 1.3549 1.4795 1.4795 2.0180 2.0180 2.0411 2.0411 2.2584 2.2584 2.3548 2.3548 2.9404 2.9404 3.1331 3.1331 3.3289 3.3289 3.5150 3.5150 6.4290 6.4290 6.6146 6.6146 7.6411 7.6411 7.9408 7.9408 8.1512 8.1512 8.3493 8.3493 k = 0.5000 0.2887 0.0680 ( 9226 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6879 -7.6879 -7.6319 -7.6319 -7.5191 -7.5191 -7.4603 -7.4603 -3.4326 -3.4326 -3.4255 -3.4255 0.5116 0.5116 0.6362 0.6362 1.3406 1.3406 1.4720 1.4721 2.0100 2.0100 2.0351 2.0351 2.2744 2.2744 2.3739 2.3739 2.9449 2.9449 3.1581 3.1581 3.2999 3.2999 3.5042 3.5042 6.4221 6.4221 6.6285 6.6285 7.6276 7.6276 7.9636 7.9636 8.1370 8.1370 8.3534 8.3534 k = 0.5000 0.2887 0.0544 ( 9240 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0329 -11.0329 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6898 -7.6898 -7.6278 -7.6278 -7.5233 -7.5233 -7.4583 -7.4583 -3.4330 -3.4330 -3.4252 -3.4252 0.5094 0.5094 0.6466 0.6466 1.3284 1.3284 1.4635 1.4635 1.9998 1.9998 2.0360 2.0360 2.2856 2.2856 2.3919 2.3919 2.9518 2.9518 3.1804 3.1804 3.2749 3.2749 3.4905 3.4905 6.4167 6.4167 6.6403 6.6403 7.6168 7.6168 7.9834 7.9834 8.1253 8.1253 8.3552 8.3552 k = 0.5000 0.2887 0.0408 ( 9238 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6913 -7.6913 -7.6244 -7.6244 -7.5268 -7.5268 -7.4567 -7.4567 -3.4332 -3.4332 -3.4250 -3.4250 0.5079 0.5079 0.6554 0.6554 1.3187 1.3187 1.4552 1.4552 1.9906 1.9906 2.0395 2.0395 2.2921 2.2921 2.4083 2.4083 2.9598 2.9598 3.1950 3.1950 3.2593 3.2593 3.4752 3.4752 6.4128 6.4128 6.6496 6.6496 7.6087 7.6087 7.9996 7.9996 8.1162 8.1162 8.3554 8.3554 k = 0.5000 0.2887 0.0272 ( 9238 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6923 -7.6923 -7.6217 -7.6217 -7.5296 -7.5296 -7.4556 -7.4556 -3.4334 -3.4334 -3.4248 -3.4248 0.5069 0.5069 0.6620 0.6620 1.3117 1.3117 1.4482 1.4482 1.9838 1.9838 2.0433 2.0433 2.2954 2.2954 2.4215 2.4215 2.9673 2.9673 3.1955 3.1955 3.2597 3.2597 3.4603 3.4603 6.4102 6.4102 6.6563 6.6563 7.6031 7.6031 8.0115 8.0115 8.1099 8.1099 8.3548 8.3548 k = 0.5000 0.2887 0.0136 ( 9246 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6930 -7.6930 -7.6200 -7.6200 -7.5313 -7.5313 -7.4549 -7.4549 -3.4336 -3.4336 -3.4247 -3.4247 0.5063 0.5063 0.6662 0.6662 1.3074 1.3074 1.4436 1.4436 1.9796 1.9796 2.0462 2.0462 2.2966 2.2966 2.4300 2.4300 2.9729 2.9729 3.1892 3.1892 3.2677 3.2677 3.4489 3.4489 6.4087 6.4087 6.6604 6.6604 7.5998 7.5998 8.0187 8.0187 8.1062 8.1062 8.3540 8.3540 k = 0.5000 0.2887-0.0000 ( 9222 PWs) bands (ev): -13.5558 -13.5558 -13.5558 -13.5558 -13.5475 -13.5475 -13.5475 -13.5475 -11.0330 -11.0330 -11.0326 -11.0326 -10.9921 -10.9921 -10.9920 -10.9920 -10.9707 -10.9707 -10.9707 -10.9707 -7.6932 -7.6932 -7.6194 -7.6194 -7.5319 -7.5319 -7.4546 -7.4546 -3.4336 -3.4336 -3.4246 -3.4246 0.5061 0.5061 0.6676 0.6676 1.3060 1.3060 1.4420 1.4420 1.9782 1.9782 2.0472 2.0472 2.2969 2.2969 2.4330 2.4330 2.9749 2.9749 3.1861 3.1861 3.2717 3.2717 3.4445 3.4445 6.4082 6.4082 6.6618 6.6618 7.5988 7.5988 8.0211 8.0211 8.1050 8.1050 8.3537 8.3537 k = 0.3333 0.5774-0.0000 ( 9186 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5183 -7.5181 -7.5150 -7.5149 -7.5103 -7.5101 -3.4979 -3.4965 -3.4965 -3.4951 0.7716 0.7717 0.8567 0.8567 0.9312 0.9332 1.2328 1.2328 1.3154 1.3154 1.3404 1.4049 2.2746 2.2746 2.4666 2.5059 2.5059 2.7333 3.0799 3.0799 3.5220 3.6784 3.6784 3.8679 6.7219 6.8536 6.8536 7.1981 7.8141 7.8141 8.1206 8.1206 8.2740 8.5775 8.5775 8.6092 k = 0.3333 0.5774 0.0136 ( 9204 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5182 -7.5181 -7.5150 -7.5149 -7.5103 -7.5102 -3.4979 -3.4965 -3.4965 -3.4951 0.7728 0.7728 0.8576 0.8576 0.9324 0.9342 1.2299 1.2299 1.3137 1.3137 1.3385 1.4023 2.2786 2.2786 2.4700 2.5082 2.5082 2.7350 3.0769 3.0769 3.5211 3.6767 3.6767 3.8649 6.7246 6.8561 6.8561 7.1967 7.8155 7.8155 8.1185 8.1185 8.2752 8.5755 8.5755 8.6076 k = 0.3333 0.5774 0.0272 ( 9216 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5182 -7.5181 -7.5150 -7.5149 -7.5103 -7.5102 -3.4978 -3.4965 -3.4965 -3.4952 0.7762 0.7762 0.8602 0.8603 0.9358 0.9374 1.2215 1.2215 1.3087 1.3087 1.3327 1.3944 2.2905 2.2906 2.4802 2.5148 2.5148 2.7402 3.0681 3.0681 3.5187 3.6718 3.6719 3.8560 6.7325 6.8636 6.8636 7.1926 7.8199 7.8199 8.1124 8.1124 8.2787 8.5695 8.5695 8.6029 k = 0.3333 0.5774 0.0408 ( 9210 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5182 -7.5181 -7.5150 -7.5149 -7.5103 -7.5102 -3.4978 -3.4965 -3.4965 -3.4952 0.7818 0.7818 0.8646 0.8646 0.9416 0.9427 1.2081 1.2081 1.3005 1.3005 1.3235 1.3818 2.3098 2.3098 2.4964 2.5254 2.5254 2.7482 3.0536 3.0536 3.5152 3.6640 3.6640 3.8414 6.7455 6.8757 6.8757 7.1857 7.8269 7.8269 8.1024 8.1024 8.2845 8.5599 8.5599 8.5950 k = 0.3333 0.5774 0.0544 ( 9216 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5181 -7.5180 -7.5150 -7.5149 -7.5104 -7.5103 -3.4977 -3.4965 -3.4965 -3.4953 0.7895 0.7895 0.8704 0.8704 0.9495 0.9499 1.1907 1.1907 1.2896 1.2896 1.3111 1.3651 2.3356 2.3357 2.5181 2.5393 2.5393 2.7582 3.0338 3.0338 3.5111 3.6537 3.6537 3.8217 6.7632 6.8917 6.8917 7.1759 7.8362 7.8362 8.0890 8.0890 8.2926 8.5472 8.5472 8.5843 k = 0.3333 0.5774 0.0680 ( 9198 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0115 -11.0113 -11.0113 -11.0112 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5181 -7.5180 -7.5150 -7.5149 -7.5104 -7.5103 -3.4976 -3.4965 -3.4965 -3.4954 0.7991 0.7992 0.8775 0.8776 0.9589 0.9593 1.1703 1.1703 1.2764 1.2764 1.2964 1.3453 2.3670 2.3670 2.5441 2.5555 2.5555 2.7688 3.0090 3.0090 3.5074 3.6415 3.6415 3.7974 6.7849 6.9108 6.9108 7.1632 7.8473 7.8473 8.0730 8.0730 8.3031 8.5323 8.5323 8.5709 k = 0.3333 0.5774 0.0816 ( 9204 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5180 -7.5179 -7.5150 -7.5149 -7.5105 -7.5104 -3.4975 -3.4965 -3.4965 -3.4955 0.8106 0.8106 0.8856 0.8856 0.9695 0.9707 1.1480 1.1480 1.2618 1.2618 1.2799 1.3233 2.4028 2.4028 2.5731 2.5732 2.5733 2.7787 2.9799 2.9799 3.5052 3.6281 3.6281 3.7693 6.8102 6.9319 6.9319 7.1474 7.8596 7.8596 8.0551 8.0551 8.3159 8.5161 8.5161 8.5551 k = 0.3333 0.5774 0.0952 ( 9195 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5180 -7.5178 -7.5150 -7.5149 -7.5106 -7.5104 -3.4974 -3.4965 -3.4965 -3.4957 0.8234 0.8234 0.8941 0.8942 0.9812 0.9834 1.1249 1.1249 1.2466 1.2467 1.2626 1.3002 2.4416 2.4417 2.5911 2.5911 2.6047 2.7863 2.9471 2.9471 3.5057 3.6145 3.6145 3.7384 6.8383 6.9536 6.9536 7.1288 7.8722 7.8722 8.0366 8.0366 8.3308 8.4995 8.4995 8.5372 k = 0.3333 0.5774 0.1088 ( 9198 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5179 -7.5178 -7.5150 -7.5149 -7.5106 -7.5105 -3.4972 -3.4965 -3.4965 -3.4958 0.8372 0.8372 0.9025 0.9025 0.9937 0.9966 1.1022 1.1022 1.2319 1.2319 1.2456 1.2770 2.4821 2.4822 2.6083 2.6083 2.6369 2.7902 2.9118 2.9118 3.5100 3.6014 3.6014 3.7056 6.8685 6.9745 6.9745 7.1072 7.8844 7.8844 8.0187 8.0187 8.3477 8.4836 8.4836 8.5176 k = 0.3333 0.5774 0.1224 ( 9186 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5179 -7.5177 -7.5150 -7.5149 -7.5107 -7.5105 -3.4971 -3.4965 -3.4965 -3.4960 0.8511 0.8511 0.9099 0.9100 1.0060 1.0094 1.0812 1.0812 1.2186 1.2186 1.2302 1.2550 2.5221 2.5222 2.6238 2.6238 2.6688 2.7890 2.8754 2.8754 3.5192 3.5900 3.5900 3.6719 6.9002 6.9931 6.9931 7.0829 7.8951 7.8951 8.0028 8.0028 8.3663 8.4697 8.4697 8.4966 k = 0.3333 0.5774 0.1360 ( 9201 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5178 -7.5177 -7.5150 -7.5149 -7.5107 -7.5106 -3.4969 -3.4965 -3.4965 -3.4962 0.8638 0.8638 0.9156 0.9157 1.0172 1.0203 1.0638 1.0638 1.2079 1.2079 1.2183 1.2357 2.5583 2.5583 2.6372 2.6372 2.6991 2.7820 2.8406 2.8406 3.5337 3.5810 3.5810 3.6387 6.9326 7.0077 7.0077 7.0562 7.9033 7.9033 7.9905 7.9905 8.3865 8.4588 8.4588 8.4747 k = 0.3333 0.5774 0.1496 ( 9207 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0114 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5178 -7.5177 -7.5150 -7.5149 -7.5108 -7.5106 -3.4967 -3.4965 -3.4965 -3.4964 0.8732 0.8733 0.9189 0.9189 1.0255 1.0275 1.0520 1.0520 1.2010 1.2010 1.2118 1.2209 2.5848 2.5848 2.6478 2.6479 2.7267 2.7691 2.8126 2.8127 3.5536 3.5753 3.5753 3.6071 6.9650 7.0171 7.0171 7.0273 7.9084 7.9084 7.9827 7.9827 8.4078 8.4518 8.4518 8.4523 k = 0.3333 0.5774 0.1632 ( 9210 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -13.5510 -13.5510 -13.5510 -13.5510 -11.0157 -11.0157 -11.0157 -11.0157 -11.0113 -11.0113 -11.0113 -11.0113 -10.9722 -10.9722 -10.9722 -10.9722 -7.5220 -7.5218 -7.5178 -7.5176 -7.5150 -7.5149 -7.5108 -7.5106 -3.4965 -3.4965 -3.4965 -3.4965 0.8768 0.8769 0.9199 0.9199 1.0294 1.0294 1.0478 1.0478 1.1986 1.1986 1.2125 1.2126 2.5946 2.5946 2.6527 2.6527 2.7503 2.7504 2.8011 2.8012 3.5734 3.5734 3.5784 3.5784 6.9967 6.9967 7.0203 7.0203 7.9101 7.9101 7.9801 7.9801 8.4299 8.4299 8.4494 8.4494 Writing output data file PbI2.save init_run : 3.21s CPU 13.61s WALL ( 1 calls) electrons : 894.81s CPU 904.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 894.72s CPU 903.67s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.58s WALL ( 1 calls) newd : 0.61s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.28s WALL ( 263 calls) cegterg : 772.27s CPU 776.89s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 400.20s CPU 405.43s WALL ( 5843 calls) s_psi : 47.63s CPU 47.83s WALL ( 5843 calls) g_psi : 1.10s CPU 1.08s WALL ( 5221 calls) cdiaghg : 202.02s CPU 201.09s WALL ( 5484 calls) cegterg:over : 79.51s CPU 78.48s WALL ( 5221 calls) cegterg:upda : 25.76s CPU 27.27s WALL ( 5221 calls) cegterg:last : 21.98s CPU 22.44s WALL ( 1148 calls) Called by h_psi: h_psi:vloc : 308.40s CPU 311.60s WALL ( 5843 calls) h_psi:vnl : 91.00s CPU 92.43s WALL ( 5843 calls) add_vuspsi : 36.37s CPU 38.25s WALL ( 5843 calls) General routines calbec : 54.59s CPU 54.12s WALL ( 5843 calls) fft : 0.58s CPU 1.24s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 295.64s CPU 298.57s WALL ( 972768 calls) interpolate : 0.03s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 7.24s WALL ( 526 calls) Parallel routines fft_scatter : 188.10s CPU 187.25s WALL ( 972791 calls) PWSCF : 17m22.81s CPU 24m42.85s WALL This run was terminated on: 7:55: 9 21Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=