Program PWSCF v.5.1.1 starts on 31Jul2015 at 10: 1:43 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: ./Si2Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 33 21 6 1538 801 124 Max 35 22 7 1542 816 131 Sum 1615 1039 301 73899 38797 6067 bravais-lattice index = 14 lattice parameter (alat) = 8.6958 a.u. unit-cell volume = 813.0369 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.695763 celldm(2)= 1.000000 celldm(3)= 1.427764 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 1.427764 ) 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 0.700396 ) PseudoPot. # 1 for Mo read from file: /home/autes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 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 1229 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops. (no inversion) found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 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 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4759214 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4759214 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4759214 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4759214 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4759214 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4759214 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4759214 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4759214 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 -E -1 -2C6 -5 -6 -2C3 -7 -8 Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0033445 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0033445 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0033445 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0033445 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0033445 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0033445 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0033445 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0033445 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0033445 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0033445 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0033445 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0033445 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0033445 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0033445 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0033445 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0033445 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0033445 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0033445 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0033445 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0033445 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033445 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0033445 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0033445 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0033445 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0033445 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0033445 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0033445 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0033445 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 114) = ( 0.0000000 0.0000000 0.0145916), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0291832), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0437747), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0583663), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.0729579), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.0875495), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.1021410), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.1167326), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.1313242), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.1459158), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.1605074), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.1750989), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.1896905), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.2042821), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.2188737), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.2334652), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.2480568), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.2626484), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.2772400), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.2918316), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.3064231), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.3210147), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.3356063), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.3501979), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.3501979), wk = 0.0033445 k( 139) = ( 0.0125000 0.0072169 0.3501979), wk = 0.0033445 k( 140) = ( 0.0250000 0.0144338 0.3501979), wk = 0.0033445 k( 141) = ( 0.0375000 0.0216506 0.3501979), wk = 0.0033445 k( 142) = ( 0.0500000 0.0288675 0.3501979), wk = 0.0033445 k( 143) = ( 0.0625000 0.0360844 0.3501979), wk = 0.0033445 k( 144) = ( 0.0750000 0.0433013 0.3501979), wk = 0.0033445 k( 145) = ( 0.0875000 0.0505181 0.3501979), wk = 0.0033445 k( 146) = ( 0.1000000 0.0577350 0.3501979), wk = 0.0033445 k( 147) = ( 0.1125000 0.0649519 0.3501979), wk = 0.0033445 k( 148) = ( 0.1250000 0.0721688 0.3501979), wk = 0.0033445 k( 149) = ( 0.1375000 0.0793857 0.3501979), wk = 0.0033445 k( 150) = ( 0.1500000 0.0866025 0.3501979), wk = 0.0033445 k( 151) = ( 0.1625000 0.0938194 0.3501979), wk = 0.0033445 k( 152) = ( 0.1750000 0.1010363 0.3501979), wk = 0.0033445 k( 153) = ( 0.1875000 0.1082532 0.3501979), wk = 0.0033445 k( 154) = ( 0.2000000 0.1154701 0.3501979), wk = 0.0033445 k( 155) = ( 0.2125000 0.1226869 0.3501979), wk = 0.0033445 k( 156) = ( 0.2250000 0.1299038 0.3501979), wk = 0.0033445 k( 157) = ( 0.2375000 0.1371207 0.3501979), wk = 0.0033445 k( 158) = ( 0.2500000 0.1443376 0.3501979), wk = 0.0033445 k( 159) = ( 0.2625000 0.1515544 0.3501979), wk = 0.0033445 k( 160) = ( 0.2750000 0.1587713 0.3501979), wk = 0.0033445 k( 161) = ( 0.2875000 0.1659882 0.3501979), wk = 0.0033445 k( 162) = ( 0.3000000 0.1732051 0.3501979), wk = 0.0033445 k( 163) = ( 0.3125000 0.1804220 0.3501979), wk = 0.0033445 k( 164) = ( 0.3250000 0.1876388 0.3501979), wk = 0.0033445 k( 165) = ( 0.3375000 0.1948557 0.3501979), wk = 0.0033445 k( 166) = ( 0.3500000 0.2020726 0.3501979), wk = 0.0033445 k( 167) = ( 0.3625000 0.2092895 0.3501979), wk = 0.0033445 k( 168) = ( 0.3750000 0.2165064 0.3501979), wk = 0.0033445 k( 169) = ( 0.3875000 0.2237232 0.3501979), wk = 0.0033445 k( 170) = ( 0.4000000 0.2309401 0.3501979), wk = 0.0033445 k( 171) = ( 0.4125000 0.2381570 0.3501979), wk = 0.0033445 k( 172) = ( 0.4250000 0.2453739 0.3501979), wk = 0.0033445 k( 173) = ( 0.4375000 0.2525907 0.3501979), wk = 0.0033445 k( 174) = ( 0.4500000 0.2598076 0.3501979), wk = 0.0033445 k( 175) = ( 0.4625000 0.2670245 0.3501979), wk = 0.0033445 k( 176) = ( 0.4750000 0.2742414 0.3501979), wk = 0.0033445 k( 177) = ( 0.4875000 0.2814583 0.3501979), wk = 0.0033445 k( 178) = ( 0.5000000 0.2886751 0.3501979), wk = 0.0033445 k( 179) = ( 0.5000000 0.2886751 0.3501979), wk = 0.0033445 k( 180) = ( 0.4927536 0.3012262 0.3501979), wk = 0.0033445 k( 181) = ( 0.4855073 0.3137773 0.3501979), wk = 0.0033445 k( 182) = ( 0.4782609 0.3263284 0.3501979), wk = 0.0033445 k( 183) = ( 0.4710145 0.3388795 0.3501979), wk = 0.0033445 k( 184) = ( 0.4637681 0.3514306 0.3501979), wk = 0.0033445 k( 185) = ( 0.4565217 0.3639817 0.3501979), wk = 0.0033445 k( 186) = ( 0.4492754 0.3765328 0.3501979), wk = 0.0033445 k( 187) = ( 0.4420290 0.3890839 0.3501979), wk = 0.0033445 k( 188) = ( 0.4347826 0.4016350 0.3501979), wk = 0.0033445 k( 189) = ( 0.4275362 0.4141861 0.3501979), wk = 0.0033445 k( 190) = ( 0.4202899 0.4267372 0.3501979), wk = 0.0033445 k( 191) = ( 0.4130435 0.4392882 0.3501979), wk = 0.0033445 k( 192) = ( 0.4057971 0.4518393 0.3501979), wk = 0.0033445 k( 193) = ( 0.3985507 0.4643904 0.3501979), wk = 0.0033445 k( 194) = ( 0.3913044 0.4769415 0.3501979), wk = 0.0033445 k( 195) = ( 0.3840580 0.4894926 0.3501979), wk = 0.0033445 k( 196) = ( 0.3768116 0.5020437 0.3501979), wk = 0.0033445 k( 197) = ( 0.3695652 0.5145948 0.3501979), wk = 0.0033445 k( 198) = ( 0.3623188 0.5271459 0.3501979), wk = 0.0033445 k( 199) = ( 0.3550725 0.5396970 0.3501979), wk = 0.0033445 k( 200) = ( 0.3478261 0.5522481 0.3501979), wk = 0.0033445 k( 201) = ( 0.3405797 0.5647992 0.3501979), wk = 0.0033445 k( 202) = ( 0.3333333 0.5773503 0.3501979), wk = 0.0033445 k( 203) = ( 0.3333333 0.5773503 0.3501979), wk = 0.0033445 k( 204) = ( 0.3260870 0.5647992 0.3501979), wk = 0.0033445 k( 205) = ( 0.3188406 0.5522481 0.3501979), wk = 0.0033445 k( 206) = ( 0.3115942 0.5396970 0.3501979), wk = 0.0033445 k( 207) = ( 0.3043478 0.5271459 0.3501979), wk = 0.0033445 k( 208) = ( 0.2971014 0.5145948 0.3501979), wk = 0.0033445 k( 209) = ( 0.2898551 0.5020437 0.3501979), wk = 0.0033445 k( 210) = ( 0.2826087 0.4894926 0.3501979), wk = 0.0033445 k( 211) = ( 0.2753623 0.4769415 0.3501979), wk = 0.0033445 k( 212) = ( 0.2681159 0.4643904 0.3501979), wk = 0.0033445 k( 213) = ( 0.2608696 0.4518393 0.3501979), wk = 0.0033445 k( 214) = ( 0.2536232 0.4392883 0.3501979), wk = 0.0033445 k( 215) = ( 0.2463768 0.4267372 0.3501979), wk = 0.0033445 k( 216) = ( 0.2391304 0.4141861 0.3501979), wk = 0.0033445 k( 217) = ( 0.2318841 0.4016350 0.3501979), wk = 0.0033445 k( 218) = ( 0.2246377 0.3890839 0.3501979), wk = 0.0033445 k( 219) = ( 0.2173913 0.3765328 0.3501979), wk = 0.0033445 k( 220) = ( 0.2101449 0.3639817 0.3501979), wk = 0.0033445 k( 221) = ( 0.2028986 0.3514306 0.3501979), wk = 0.0033445 k( 222) = ( 0.1956522 0.3388795 0.3501979), wk = 0.0033445 k( 223) = ( 0.1884058 0.3263284 0.3501979), wk = 0.0033445 k( 224) = ( 0.1811594 0.3137773 0.3501979), wk = 0.0033445 k( 225) = ( 0.1739130 0.3012262 0.3501979), wk = 0.0033445 k( 226) = ( 0.1666667 0.2886751 0.3501979), wk = 0.0033445 k( 227) = ( 0.1594203 0.2761240 0.3501979), wk = 0.0033445 k( 228) = ( 0.1521739 0.2635729 0.3501979), wk = 0.0033445 k( 229) = ( 0.1449275 0.2510219 0.3501979), wk = 0.0033445 k( 230) = ( 0.1376812 0.2384708 0.3501979), wk = 0.0033445 k( 231) = ( 0.1304348 0.2259197 0.3501979), wk = 0.0033445 k( 232) = ( 0.1231884 0.2133686 0.3501979), wk = 0.0033445 k( 233) = ( 0.1159420 0.2008175 0.3501979), wk = 0.0033445 k( 234) = ( 0.1086957 0.1882664 0.3501979), wk = 0.0033445 k( 235) = ( 0.1014493 0.1757153 0.3501979), wk = 0.0033445 k( 236) = ( 0.0942029 0.1631642 0.3501979), wk = 0.0033445 k( 237) = ( 0.0869565 0.1506131 0.3501979), wk = 0.0033445 k( 238) = ( 0.0797101 0.1380620 0.3501979), wk = 0.0033445 k( 239) = ( 0.0724638 0.1255109 0.3501979), wk = 0.0033445 k( 240) = ( 0.0652174 0.1129598 0.3501979), wk = 0.0033445 k( 241) = ( 0.0579710 0.1004087 0.3501979), wk = 0.0033445 k( 242) = ( 0.0507246 0.0878577 0.3501979), wk = 0.0033445 k( 243) = ( 0.0434783 0.0753066 0.3501979), wk = 0.0033445 k( 244) = ( 0.0362319 0.0627555 0.3501979), wk = 0.0033445 k( 245) = ( 0.0289855 0.0502044 0.3501979), wk = 0.0033445 k( 246) = ( 0.0217391 0.0376533 0.3501979), wk = 0.0033445 k( 247) = ( 0.0144928 0.0251022 0.3501979), wk = 0.0033445 k( 248) = ( 0.0072464 0.0125511 0.3501979), wk = 0.0033445 k( 249) = ( 0.0000000 0.0000000 0.3501979), wk = 0.0033445 k( 250) = ( 0.5000000 0.2886751 0.3501979), wk = 0.0033445 k( 251) = ( 0.5000000 0.2886751 0.3356063), wk = 0.0033445 k( 252) = ( 0.5000000 0.2886751 0.3210147), wk = 0.0033445 k( 253) = ( 0.5000000 0.2886751 0.3064231), wk = 0.0033445 k( 254) = ( 0.5000000 0.2886751 0.2918316), wk = 0.0033445 k( 255) = ( 0.5000000 0.2886751 0.2772400), wk = 0.0033445 k( 256) = ( 0.5000000 0.2886751 0.2626484), wk = 0.0033445 k( 257) = ( 0.5000000 0.2886751 0.2480568), wk = 0.0033445 k( 258) = ( 0.5000000 0.2886751 0.2334652), wk = 0.0033445 k( 259) = ( 0.5000000 0.2886751 0.2188737), wk = 0.0033445 k( 260) = ( 0.5000000 0.2886751 0.2042821), wk = 0.0033445 k( 261) = ( 0.5000000 0.2886751 0.1896905), wk = 0.0033445 k( 262) = ( 0.5000000 0.2886751 0.1750989), wk = 0.0033445 k( 263) = ( 0.5000000 0.2886751 0.1605074), wk = 0.0033445 k( 264) = ( 0.5000000 0.2886751 0.1459158), wk = 0.0033445 k( 265) = ( 0.5000000 0.2886751 0.1313242), wk = 0.0033445 k( 266) = ( 0.5000000 0.2886751 0.1167326), wk = 0.0033445 k( 267) = ( 0.5000000 0.2886751 0.1021410), wk = 0.0033445 k( 268) = ( 0.5000000 0.2886751 0.0875495), wk = 0.0033445 k( 269) = ( 0.5000000 0.2886751 0.0729579), wk = 0.0033445 k( 270) = ( 0.5000000 0.2886751 0.0583663), wk = 0.0033445 k( 271) = ( 0.5000000 0.2886751 0.0437747), wk = 0.0033445 k( 272) = ( 0.5000000 0.2886751 0.0291832), wk = 0.0033445 k( 273) = ( 0.5000000 0.2886751 0.0145916), wk = 0.0033445 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 276) = ( 0.3333333 0.5773503 0.0145916), wk = 0.0033445 k( 277) = ( 0.3333333 0.5773503 0.0291832), wk = 0.0033445 k( 278) = ( 0.3333333 0.5773503 0.0437747), wk = 0.0033445 k( 279) = ( 0.3333333 0.5773503 0.0583663), wk = 0.0033445 k( 280) = ( 0.3333333 0.5773503 0.0729579), wk = 0.0033445 k( 281) = ( 0.3333333 0.5773503 0.0875495), wk = 0.0033445 k( 282) = ( 0.3333333 0.5773503 0.1021410), wk = 0.0033445 k( 283) = ( 0.3333333 0.5773503 0.1167326), wk = 0.0033445 k( 284) = ( 0.3333333 0.5773503 0.1313242), wk = 0.0033445 k( 285) = ( 0.3333333 0.5773503 0.1459158), wk = 0.0033445 k( 286) = ( 0.3333333 0.5773503 0.1605074), wk = 0.0033445 k( 287) = ( 0.3333333 0.5773503 0.1750989), wk = 0.0033445 k( 288) = ( 0.3333333 0.5773503 0.1896905), wk = 0.0033445 k( 289) = ( 0.3333333 0.5773503 0.2042821), wk = 0.0033445 k( 290) = ( 0.3333333 0.5773503 0.2188737), wk = 0.0033445 k( 291) = ( 0.3333333 0.5773503 0.2334652), wk = 0.0033445 k( 292) = ( 0.3333333 0.5773503 0.2480568), wk = 0.0033445 k( 293) = ( 0.3333333 0.5773503 0.2626484), wk = 0.0033445 k( 294) = ( 0.3333333 0.5773503 0.2772400), wk = 0.0033445 k( 295) = ( 0.3333333 0.5773503 0.2918316), wk = 0.0033445 k( 296) = ( 0.3333333 0.5773503 0.3064231), wk = 0.0033445 k( 297) = ( 0.3333333 0.5773503 0.3210147), wk = 0.0033445 k( 298) = ( 0.3333333 0.5773503 0.3356063), wk = 0.0033445 k( 299) = ( 0.3333333 0.5773503 0.3501979), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0033445 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0033445 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0033445 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0033445 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0033445 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0033445 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0033445 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0033445 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0033445 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0033445 k( 55) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0033445 k( 56) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0033445 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0033445 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0033445 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0033445 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0033445 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0033445 k( 63) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0033445 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0033445 k( 69) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0033445 k( 71) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0033445 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0033445 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0033445 k( 74) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0033445 k( 76) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0033445 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0033445 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0033445 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0033445 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0033445 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0033445 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0033445 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0033445 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0033445 k( 86) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0033445 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0033445 k( 88) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0033445 k( 89) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033445 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0033445 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0033445 k( 92) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0033445 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0033445 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0033445 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0033445 k( 99) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0033445 k( 100) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0033445 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0033445 k( 102) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0033445 k( 103) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0033445 k( 106) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0033445 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0033445 k( 109) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0144928 0.0144927 0.0000000), wk = 0.0033445 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0033445 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 114) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 139) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0033445 k( 140) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0033445 k( 141) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0033445 k( 142) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0033445 k( 143) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0033445 k( 144) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0033445 k( 145) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0033445 k( 146) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033445 k( 147) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0033445 k( 148) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033445 k( 149) = ( 0.1375000 -0.0000000 0.5000000), wk = 0.0033445 k( 150) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0033445 k( 151) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0033445 k( 152) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0033445 k( 153) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0033445 k( 154) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033445 k( 155) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0033445 k( 156) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0033445 k( 157) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0033445 k( 158) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033445 k( 159) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0033445 k( 160) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0033445 k( 161) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0033445 k( 162) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033445 k( 163) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0033445 k( 164) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0033445 k( 165) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0033445 k( 166) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0033445 k( 167) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0033445 k( 168) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033445 k( 169) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0033445 k( 170) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033445 k( 171) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0033445 k( 172) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0033445 k( 173) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0033445 k( 174) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0033445 k( 175) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0033445 k( 176) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0033445 k( 177) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0033445 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 180) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0033445 k( 181) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0033445 k( 182) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0033445 k( 183) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0033445 k( 184) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0033445 k( 185) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0033445 k( 186) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0033445 k( 187) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0033445 k( 188) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0033445 k( 189) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0033445 k( 190) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0033445 k( 191) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0033445 k( 192) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0033445 k( 193) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0033445 k( 194) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0033445 k( 195) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0033445 k( 196) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0033445 k( 197) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0033445 k( 198) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0033445 k( 199) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0033445 k( 200) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0033445 k( 201) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0033445 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 204) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0033445 k( 205) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0033445 k( 206) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0033445 k( 207) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0033445 k( 208) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0033445 k( 209) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0033445 k( 210) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0033445 k( 211) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0033445 k( 212) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0033445 k( 213) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0033445 k( 214) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0033445 k( 215) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0033445 k( 216) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0033445 k( 217) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0033445 k( 218) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0033445 k( 219) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0033445 k( 220) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0033445 k( 221) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0033445 k( 222) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0033445 k( 223) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0033445 k( 224) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0033445 k( 225) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0033445 k( 226) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033445 k( 227) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0033445 k( 228) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0033445 k( 229) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0033445 k( 230) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0033445 k( 231) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0033445 k( 232) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0033445 k( 233) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0033445 k( 234) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0033445 k( 235) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0033445 k( 236) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0033445 k( 237) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0033445 k( 238) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0033445 k( 239) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0033445 k( 240) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0033445 k( 241) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0033445 k( 242) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0033445 k( 243) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0033445 k( 244) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0033445 k( 245) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0033445 k( 246) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0033445 k( 247) = ( 0.0144928 0.0144927 0.5000000), wk = 0.0033445 k( 248) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0033445 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 251) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0033445 k( 252) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0033445 k( 253) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0033445 k( 254) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033445 k( 255) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0033445 k( 256) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033445 k( 257) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0033445 k( 258) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033445 k( 259) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0033445 k( 260) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0033445 k( 261) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0033445 k( 262) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033445 k( 263) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0033445 k( 264) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0033445 k( 265) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0033445 k( 266) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033445 k( 267) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0033445 k( 268) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033445 k( 269) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0033445 k( 270) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033445 k( 271) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0033445 k( 272) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0033445 k( 273) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0033445 k( 274) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 275) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 276) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0033445 k( 277) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0033445 k( 278) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0033445 k( 279) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033445 k( 280) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0033445 k( 281) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033445 k( 282) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0033445 k( 283) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033445 k( 284) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0033445 k( 285) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0033445 k( 286) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0033445 k( 287) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445 k( 288) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0033445 k( 289) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0033445 k( 290) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0033445 k( 291) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033445 k( 292) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0033445 k( 293) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033445 k( 294) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0033445 k( 295) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033445 k( 296) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0033445 k( 297) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0033445 k( 298) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0033445 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 Dense grid: 73899 G-vectors FFT dimensions: ( 50, 50, 72) Smooth grid: 38797 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 208, 80) NL pseudopotentials 0.30 Mb ( 104, 186) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1541) G-vector shells 0.01 Mb ( 727) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 208, 320) Each subspace H/S matrix 1.56 Mb ( 320, 320) Each matrix 0.45 Mb ( 186, 2, 80) The potential is recalculated from file : ./Si2Mo.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 49.0 secs Computing kpt #: 3 total cpu time spent up to now is 54.6 secs Computing kpt #: 4 total cpu time spent up to now is 59.9 secs Computing kpt #: 5 total cpu time spent up to now is 65.3 secs Computing kpt #: 6 total cpu time spent up to now is 70.2 secs Computing kpt #: 7 total cpu time spent up to now is 75.1 secs Computing kpt #: 8 total cpu time spent up to now is 80.2 secs Computing kpt #: 9 total cpu time spent up to now is 85.3 secs Computing kpt #: 10 total cpu time spent up to now is 90.4 secs Computing kpt #: 11 total cpu time spent up to now is 95.6 secs Computing kpt #: 12 total cpu time spent up to now is 101.1 secs Computing kpt #: 13 total cpu time spent up to now is 106.5 secs Computing kpt #: 14 total cpu time spent up to now is 111.7 secs Computing kpt #: 15 total cpu time spent up to now is 117.0 secs Computing kpt #: 16 total cpu time spent up to now is 121.9 secs Computing kpt #: 17 total cpu time spent up to now is 126.5 secs Computing kpt #: 18 total cpu time spent up to now is 130.9 secs Computing kpt #: 19 total cpu time spent up to now is 135.4 secs Computing kpt #: 20 total cpu time spent up to now is 139.8 secs Computing kpt #: 21 total cpu time spent up to now is 144.2 secs Computing kpt #: 22 total cpu time spent up to now is 148.7 secs Computing kpt #: 23 total cpu time spent up to now is 153.1 secs Computing kpt #: 24 total cpu time spent up to now is 157.6 secs Computing kpt #: 25 total cpu time spent up to now is 162.4 secs Computing kpt #: 26 total cpu time spent up to now is 167.3 secs Computing kpt #: 27 total cpu time spent up to now is 172.3 secs Computing kpt #: 28 total cpu time spent up to now is 177.3 secs Computing kpt #: 29 total cpu time spent up to now is 182.7 secs Computing kpt #: 30 total cpu time spent up to now is 188.7 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.5 secs Computing kpt #: 32 total cpu time spent up to now is 205.4 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.6 secs Computing kpt #: 35 total cpu time spent up to now is 230.0 secs Computing kpt #: 36 total cpu time spent up to now is 236.1 secs Computing kpt #: 37 total cpu time spent up to now is 240.3 secs Computing kpt #: 38 total cpu time spent up to now is 244.3 secs Computing kpt #: 39 total cpu time spent up to now is 248.2 secs Computing kpt #: 40 total cpu time spent up to now is 251.8 secs Computing kpt #: 41 total cpu time spent up to now is 255.4 secs Computing kpt #: 42 total cpu time spent up to now is 258.9 secs Computing kpt #: 43 total cpu time spent up to now is 262.5 secs Computing kpt #: 44 total cpu time spent up to now is 266.2 secs Computing kpt #: 45 total cpu time spent up to now is 270.0 secs Computing kpt #: 46 total cpu time spent up to now is 274.0 secs Computing kpt #: 47 total cpu time spent up to now is 281.3 secs Computing kpt #: 48 total cpu time spent up to now is 286.2 secs Computing kpt #: 49 total cpu time spent up to now is 290.6 secs Computing kpt #: 50 total cpu time spent up to now is 295.4 secs Computing kpt #: 51 total cpu time spent up to now is 299.5 secs Computing kpt #: 52 total cpu time spent up to now is 303.4 secs Computing kpt #: 53 total cpu time spent up to now is 307.6 secs Computing kpt #: 54 total cpu time spent up to now is 311.8 secs Computing kpt #: 55 total cpu time spent up to now is 316.1 secs Computing kpt #: 56 total cpu time spent up to now is 320.7 secs Computing kpt #: 57 total cpu time spent up to now is 325.3 secs Computing kpt #: 58 total cpu time spent up to now is 329.7 secs Computing kpt #: 59 total cpu time spent up to now is 334.2 secs Computing kpt #: 60 total cpu time spent up to now is 338.6 secs Computing kpt #: 61 total cpu time spent up to now is 343.1 secs Computing kpt #: 62 total cpu time spent up to now is 347.5 secs Computing kpt #: 63 total cpu time spent up to now is 351.9 secs Computing kpt #: 64 total cpu time spent up to now is 356.2 secs Computing kpt #: 65 total cpu time spent up to now is 360.7 secs Computing kpt #: 66 total cpu time spent up to now is 365.2 secs Computing kpt #: 67 total cpu time spent up to now is 369.7 secs Computing kpt #: 68 total cpu time spent up to now is 374.1 secs Computing kpt #: 69 total cpu time spent up to now is 378.3 secs Computing kpt #: 70 total cpu time spent up to now is 382.7 secs Computing kpt #: 71 total cpu time spent up to now is 387.0 secs Computing kpt #: 72 total cpu time spent up to now is 391.4 secs Computing kpt #: 73 total cpu time spent up to now is 395.7 secs Computing kpt #: 74 total cpu time spent up to now is 400.2 secs Computing kpt #: 75 total cpu time spent up to now is 405.0 secs Computing kpt #: 76 total cpu time spent up to now is 409.4 secs Computing kpt #: 77 total cpu time spent up to now is 414.0 secs Computing kpt #: 78 total cpu time spent up to now is 418.2 secs Computing kpt #: 79 total cpu time spent up to now is 422.3 secs Computing kpt #: 80 total cpu time spent up to now is 426.4 secs Computing kpt #: 81 total cpu time spent up to now is 430.6 secs Computing kpt #: 82 total cpu time spent up to now is 434.6 secs Computing kpt #: 83 total cpu time spent up to now is 438.6 secs Computing kpt #: 84 total cpu time spent up to now is 442.6 secs Computing kpt #: 85 total cpu time spent up to now is 446.7 secs Computing kpt #: 86 total cpu time spent up to now is 450.7 secs Computing kpt #: 87 total cpu time spent up to now is 454.8 secs Computing kpt #: 88 total cpu time spent up to now is 458.9 secs Computing kpt #: 89 total cpu time spent up to now is 463.0 secs Computing kpt #: 90 total cpu time spent up to now is 467.2 secs Computing kpt #: 91 total cpu time spent up to now is 471.5 secs Computing kpt #: 92 total cpu time spent up to now is 475.7 secs Computing kpt #: 93 total cpu time spent up to now is 480.0 secs Computing kpt #: 94 total cpu time spent up to now is 484.4 secs Computing kpt #: 95 total cpu time spent up to now is 488.6 secs Computing kpt #: 96 total cpu time spent up to now is 492.9 secs Computing kpt #: 97 total cpu time spent up to now is 497.1 secs Computing kpt #: 98 total cpu time spent up to now is 501.5 secs Computing kpt #: 99 total cpu time spent up to now is 506.0 secs Computing kpt #: 100 total cpu time spent up to now is 510.5 secs Computing kpt #: 101 total cpu time spent up to now is 515.2 secs Computing kpt #: 102 total cpu time spent up to now is 520.1 secs Computing kpt #: 103 total cpu time spent up to now is 525.1 secs Computing kpt #: 104 total cpu time spent up to now is 530.3 secs Computing kpt #: 105 total cpu time spent up to now is 535.4 secs Computing kpt #: 106 total cpu time spent up to now is 540.5 secs Computing kpt #: 107 total cpu time spent up to now is 545.7 secs Computing kpt #: 108 total cpu time spent up to now is 551.3 secs Computing kpt #: 109 total cpu time spent up to now is 556.3 secs Computing kpt #: 110 total cpu time spent up to now is 561.5 secs Computing kpt #: 111 total cpu time spent up to now is 566.7 secs Computing kpt #: 112 total cpu time spent up to now is 571.1 secs Computing kpt #: 113 total cpu time spent up to now is 575.4 secs Computing kpt #: 114 total cpu time spent up to now is 580.3 secs Computing kpt #: 115 total cpu time spent up to now is 585.9 secs Computing kpt #: 116 total cpu time spent up to now is 591.3 secs Computing kpt #: 117 total cpu time spent up to now is 596.7 secs Computing kpt #: 118 total cpu time spent up to now is 601.2 secs Computing kpt #: 119 total cpu time spent up to now is 606.4 secs Computing kpt #: 120 total cpu time spent up to now is 611.2 secs Computing kpt #: 121 total cpu time spent up to now is 616.2 secs Computing kpt #: 122 total cpu time spent up to now is 621.0 secs Computing kpt #: 123 total cpu time spent up to now is 626.0 secs Computing kpt #: 124 total cpu time spent up to now is 630.9 secs Computing kpt #: 125 total cpu time spent up to now is 636.0 secs Computing kpt #: 126 total cpu time spent up to now is 640.8 secs Computing kpt #: 127 total cpu time spent up to now is 645.9 secs Computing kpt #: 128 total cpu time spent up to now is 651.7 secs Computing kpt #: 129 total cpu time spent up to now is 656.7 secs Computing kpt #: 130 total cpu time spent up to now is 661.3 secs Computing kpt #: 131 total cpu time spent up to now is 666.4 secs Computing kpt #: 132 total cpu time spent up to now is 671.6 secs Computing kpt #: 133 total cpu time spent up to now is 677.1 secs Computing kpt #: 134 total cpu time spent up to now is 682.5 secs Computing kpt #: 135 total cpu time spent up to now is 687.6 secs Computing kpt #: 136 total cpu time spent up to now is 692.8 secs Computing kpt #: 137 total cpu time spent up to now is 697.8 secs Computing kpt #: 138 total cpu time spent up to now is 702.9 secs Computing kpt #: 139 total cpu time spent up to now is 708.2 secs Computing kpt #: 140 total cpu time spent up to now is 713.2 secs Computing kpt #: 141 total cpu time spent up to now is 718.1 secs Computing kpt #: 142 total cpu time spent up to now is 723.1 secs Computing kpt #: 143 total cpu time spent up to now is 727.9 secs Computing kpt #: 144 total cpu time spent up to now is 732.8 secs Computing kpt #: 145 total cpu time spent up to now is 737.9 secs Computing kpt #: 146 total cpu time spent up to now is 742.9 secs Computing kpt #: 147 total cpu time spent up to now is 748.1 secs Computing kpt #: 148 total cpu time spent up to now is 756.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 764.9 secs Computing kpt #: 150 total cpu time spent up to now is 771.9 secs Computing kpt #: 151 total cpu time spent up to now is 777.5 secs Computing kpt #: 152 total cpu time spent up to now is 782.1 secs Computing kpt #: 153 total cpu time spent up to now is 786.6 secs Computing kpt #: 154 total cpu time spent up to now is 790.8 secs Computing kpt #: 155 total cpu time spent up to now is 795.4 secs Computing kpt #: 156 total cpu time spent up to now is 799.7 secs Computing kpt #: 157 total cpu time spent up to now is 804.0 secs Computing kpt #: 158 total cpu time spent up to now is 808.5 secs Computing kpt #: 159 total cpu time spent up to now is 812.8 secs Computing kpt #: 160 total cpu time spent up to now is 817.5 secs Computing kpt #: 161 total cpu time spent up to now is 821.9 secs Computing kpt #: 162 total cpu time spent up to now is 826.5 secs Computing kpt #: 163 total cpu time spent up to now is 831.5 secs Computing kpt #: 164 total cpu time spent up to now is 837.1 secs Computing kpt #: 165 total cpu time spent up to now is 843.3 secs Computing kpt #: 166 total cpu time spent up to now is 848.6 secs Computing kpt #: 167 total cpu time spent up to now is 853.3 secs Computing kpt #: 168 total cpu time spent up to now is 857.8 secs Computing kpt #: 169 total cpu time spent up to now is 862.2 secs Computing kpt #: 170 total cpu time spent up to now is 866.4 secs Computing kpt #: 171 total cpu time spent up to now is 870.2 secs Computing kpt #: 172 total cpu time spent up to now is 873.9 secs Computing kpt #: 173 total cpu time spent up to now is 877.6 secs Computing kpt #: 174 total cpu time spent up to now is 881.3 secs Computing kpt #: 175 total cpu time spent up to now is 884.9 secs Computing kpt #: 176 total cpu time spent up to now is 888.6 secs Computing kpt #: 177 total cpu time spent up to now is 892.2 secs Computing kpt #: 178 total cpu time spent up to now is 895.7 secs Computing kpt #: 179 total cpu time spent up to now is 899.3 secs Computing kpt #: 180 total cpu time spent up to now is 902.8 secs Computing kpt #: 181 total cpu time spent up to now is 906.5 secs Computing kpt #: 182 total cpu time spent up to now is 910.5 secs Computing kpt #: 183 total cpu time spent up to now is 914.4 secs Computing kpt #: 184 total cpu time spent up to now is 918.3 secs Computing kpt #: 185 total cpu time spent up to now is 922.5 secs Computing kpt #: 186 total cpu time spent up to now is 926.6 secs Computing kpt #: 187 total cpu time spent up to now is 930.7 secs Computing kpt #: 188 total cpu time spent up to now is 934.9 secs Computing kpt #: 189 total cpu time spent up to now is 939.4 secs Computing kpt #: 190 total cpu time spent up to now is 945.4 secs Computing kpt #: 191 total cpu time spent up to now is 950.6 secs Computing kpt #: 192 total cpu time spent up to now is 955.6 secs Computing kpt #: 193 total cpu time spent up to now is 960.9 secs Computing kpt #: 194 total cpu time spent up to now is 965.5 secs Computing kpt #: 195 total cpu time spent up to now is 970.0 secs Computing kpt #: 196 total cpu time spent up to now is 974.4 secs Computing kpt #: 197 total cpu time spent up to now is 978.8 secs Computing kpt #: 198 total cpu time spent up to now is 983.3 secs Computing kpt #: 199 total cpu time spent up to now is 987.6 secs Computing kpt #: 200 total cpu time spent up to now is 992.0 secs Computing kpt #: 201 total cpu time spent up to now is 996.6 secs Computing kpt #: 202 total cpu time spent up to now is 1001.3 secs Computing kpt #: 203 total cpu time spent up to now is 1006.1 secs Computing kpt #: 204 total cpu time spent up to now is 1010.4 secs Computing kpt #: 205 total cpu time spent up to now is 1015.0 secs Computing kpt #: 206 total cpu time spent up to now is 1019.2 secs Computing kpt #: 207 total cpu time spent up to now is 1023.5 secs Computing kpt #: 208 total cpu time spent up to now is 1027.8 secs Computing kpt #: 209 total cpu time spent up to now is 1032.1 secs Computing kpt #: 210 total cpu time spent up to now is 1036.4 secs Computing kpt #: 211 total cpu time spent up to now is 1040.7 secs Computing kpt #: 212 total cpu time spent up to now is 1045.1 secs Computing kpt #: 213 total cpu time spent up to now is 1049.7 secs Computing kpt #: 214 total cpu time spent up to now is 1054.4 secs Computing kpt #: 215 total cpu time spent up to now is 1059.1 secs Computing kpt #: 216 total cpu time spent up to now is 1064.5 secs Computing kpt #: 217 total cpu time spent up to now is 1069.9 secs Computing kpt #: 218 total cpu time spent up to now is 1074.8 secs Computing kpt #: 219 total cpu time spent up to now is 1079.7 secs Computing kpt #: 220 total cpu time spent up to now is 1084.4 secs Computing kpt #: 221 total cpu time spent up to now is 1089.2 secs Computing kpt #: 222 total cpu time spent up to now is 1093.9 secs Computing kpt #: 223 total cpu time spent up to now is 1098.8 secs Computing kpt #: 224 total cpu time spent up to now is 1104.1 secs Computing kpt #: 225 total cpu time spent up to now is 1109.3 secs Computing kpt #: 226 total cpu time spent up to now is 1114.5 secs Computing kpt #: 227 total cpu time spent up to now is 1119.6 secs Computing kpt #: 228 total cpu time spent up to now is 1124.8 secs Computing kpt #: 229 total cpu time spent up to now is 1129.9 secs Computing kpt #: 230 total cpu time spent up to now is 1134.6 secs Computing kpt #: 231 total cpu time spent up to now is 1139.6 secs Computing kpt #: 232 total cpu time spent up to now is 1144.3 secs Computing kpt #: 233 total cpu time spent up to now is 1148.6 secs Computing kpt #: 234 total cpu time spent up to now is 1153.0 secs Computing kpt #: 235 total cpu time spent up to now is 1157.5 secs Computing kpt #: 236 total cpu time spent up to now is 1162.3 secs Computing kpt #: 237 total cpu time spent up to now is 1166.9 secs Computing kpt #: 238 total cpu time spent up to now is 1171.7 secs Computing kpt #: 239 total cpu time spent up to now is 1176.8 secs Computing kpt #: 240 total cpu time spent up to now is 1181.9 secs Computing kpt #: 241 total cpu time spent up to now is 1187.1 secs Computing kpt #: 242 total cpu time spent up to now is 1192.0 secs Computing kpt #: 243 total cpu time spent up to now is 1196.8 secs Computing kpt #: 244 total cpu time spent up to now is 1201.6 secs Computing kpt #: 245 total cpu time spent up to now is 1206.5 secs Computing kpt #: 246 total cpu time spent up to now is 1211.8 secs Computing kpt #: 247 total cpu time spent up to now is 1217.2 secs Computing kpt #: 248 total cpu time spent up to now is 1222.6 secs Computing kpt #: 249 total cpu time spent up to now is 1227.6 secs Computing kpt #: 250 total cpu time spent up to now is 1231.1 secs Computing kpt #: 251 total cpu time spent up to now is 1234.6 secs Computing kpt #: 252 total cpu time spent up to now is 1238.1 secs Computing kpt #: 253 total cpu time spent up to now is 1241.7 secs Computing kpt #: 254 total cpu time spent up to now is 1245.4 secs Computing kpt #: 255 total cpu time spent up to now is 1249.3 secs Computing kpt #: 256 total cpu time spent up to now is 1253.5 secs Computing kpt #: 257 total cpu time spent up to now is 1257.9 secs Computing kpt #: 258 total cpu time spent up to now is 1262.7 secs Computing kpt #: 259 total cpu time spent up to now is 1267.7 secs Computing kpt #: 260 total cpu time spent up to now is 1272.3 secs Computing kpt #: 261 total cpu time spent up to now is 1277.1 secs Computing kpt #: 262 total cpu time spent up to now is 1281.6 secs Computing kpt #: 263 total cpu time spent up to now is 1286.3 secs Computing kpt #: 264 total cpu time spent up to now is 1290.7 secs Computing kpt #: 265 total cpu time spent up to now is 1295.1 secs Computing kpt #: 266 total cpu time spent up to now is 1299.4 secs Computing kpt #: 267 total cpu time spent up to now is 1303.8 secs Computing kpt #: 268 total cpu time spent up to now is 1307.5 secs Computing kpt #: 269 total cpu time spent up to now is 1311.3 secs Computing kpt #: 270 total cpu time spent up to now is 1315.1 secs Computing kpt #: 271 total cpu time spent up to now is 1318.7 secs Computing kpt #: 272 total cpu time spent up to now is 1322.3 secs Computing kpt #: 273 total cpu time spent up to now is 1325.9 secs Computing kpt #: 274 total cpu time spent up to now is 1329.6 secs Computing kpt #: 275 total cpu time spent up to now is 1334.2 secs Computing kpt #: 276 total cpu time spent up to now is 1338.6 secs Computing kpt #: 277 total cpu time spent up to now is 1343.0 secs Computing kpt #: 278 total cpu time spent up to now is 1347.3 secs Computing kpt #: 279 total cpu time spent up to now is 1351.6 secs Computing kpt #: 280 total cpu time spent up to now is 1355.9 secs Computing kpt #: 281 total cpu time spent up to now is 1360.2 secs Computing kpt #: 282 total cpu time spent up to now is 1364.5 secs Computing kpt #: 283 total cpu time spent up to now is 1368.6 secs Computing kpt #: 284 total cpu time spent up to now is 1372.8 secs Computing kpt #: 285 total cpu time spent up to now is 1376.7 secs Computing kpt #: 286 total cpu time spent up to now is 1380.9 secs Computing kpt #: 287 total cpu time spent up to now is 1385.0 secs Computing kpt #: 288 total cpu time spent up to now is 1389.2 secs Computing kpt #: 289 total cpu time spent up to now is 1393.2 secs Computing kpt #: 290 total cpu time spent up to now is 1397.4 secs Computing kpt #: 291 total cpu time spent up to now is 1401.5 secs Computing kpt #: 292 total cpu time spent up to now is 1405.7 secs Computing kpt #: 293 total cpu time spent up to now is 1409.8 secs Computing kpt #: 294 total cpu time spent up to now is 1414.1 secs Computing kpt #: 295 total cpu time spent up to now is 1418.3 secs Computing kpt #: 296 total cpu time spent up to now is 1422.7 secs Computing kpt #: 297 total cpu time spent up to now is 1427.1 secs Computing kpt #: 298 total cpu time spent up to now is 1431.5 secs Computing kpt #: 299 total cpu time spent up to now is 1436.2 secs ethr = 1.52E-11, avg # of iterations = 38.2 total cpu time spent up to now is 1436.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4791 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4053 -20.3166 -20.3166 -17.9872 -17.9872 -17.9741 -17.9741 -17.9355 -17.9355 -17.9034 -17.9034 -17.8399 -17.8399 -17.8085 -17.8085 2.6205 2.6205 5.6970 5.6970 5.6971 5.6971 9.3897 9.3897 10.0520 10.0520 10.0623 10.0623 10.5165 10.5165 10.5232 10.5232 11.3717 11.3717 11.7054 11.7054 11.7272 11.7272 12.0097 12.0097 12.9945 12.9945 12.9971 12.9971 13.3316 13.3316 13.3377 13.3377 13.6369 13.6369 13.6447 13.6447 13.8923 13.8923 14.4351 14.4351 15.7968 15.7968 18.6064 18.6064 18.9027 18.9027 18.9107 18.9107 19.0825 19.0825 19.1243 19.1243 19.4594 19.4594 19.4802 19.4802 k = 0.0125 0.0072-0.0000 ( 4791 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4053 -20.3167 -20.3166 -17.9889 -17.9855 -17.9741 -17.9741 -17.9364 -17.9345 -17.9051 -17.9018 -17.8399 -17.8399 -17.8095 -17.8076 2.6220 2.6220 5.6978 5.6981 5.6981 5.6986 9.3805 9.3808 10.0347 10.0368 10.0464 10.0470 10.5306 10.5335 10.5443 10.5483 11.3407 11.3477 11.7121 11.7148 11.7433 11.7543 12.0131 12.0151 12.9911 12.9921 12.9953 12.9970 13.3298 13.3322 13.3395 13.3407 13.6353 13.6353 13.6427 13.6442 13.8901 13.8941 14.4312 14.4356 15.7962 15.7973 18.5854 18.5962 18.8873 18.9063 18.9130 18.9137 19.0774 19.0873 19.1100 19.1126 19.4564 19.4584 19.4752 19.4842 k = 0.0250 0.0144-0.0000 ( 4799 PWs) bands (ev): -44.4954 -44.4954 -44.4653 -44.4653 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4052 -20.3168 -20.3167 -17.9906 -17.9839 -17.9743 -17.9743 -17.9371 -17.9334 -17.9067 -17.9002 -17.8399 -17.8399 -17.8105 -17.8068 2.6268 2.6268 5.7006 5.7013 5.7017 5.7026 9.3531 9.3535 9.9925 9.9977 10.0068 10.0071 10.5649 10.5699 10.6081 10.6154 11.2748 11.2844 11.7158 11.7192 11.8077 11.8238 12.0253 12.0294 12.9811 12.9854 12.9904 12.9963 13.3249 13.3358 13.3414 13.3498 13.6298 13.6302 13.6388 13.6413 13.8878 13.8958 14.4239 14.4327 15.7955 15.7978 18.5401 18.5583 18.8597 18.8890 18.9196 18.9223 19.0713 19.0741 19.0759 19.0931 19.4440 19.4554 19.4645 19.4925 k = 0.0375 0.0217-0.0000 ( 4799 PWs) bands (ev): -44.4954 -44.4954 -44.4653 -44.4653 -44.4652 -44.4652 -20.4056 -20.4055 -20.4052 -20.4051 -20.3170 -20.3169 -17.9922 -17.9822 -17.9746 -17.9745 -17.9377 -17.9321 -17.9084 -17.8986 -17.8400 -17.8400 -17.8116 -17.8061 2.6347 2.6347 5.7055 5.7066 5.7077 5.7091 9.3073 9.3075 9.9339 9.9447 9.9589 9.9610 10.6123 10.6179 10.6951 10.7050 11.1965 11.2058 11.7188 11.7228 11.8930 11.9118 12.0462 12.0523 12.9658 12.9724 12.9851 12.9943 13.3183 13.3382 13.3469 13.3630 13.6205 13.6214 13.6337 13.6366 13.8857 13.8975 14.4132 14.4263 15.7944 15.7979 18.4800 18.5023 18.8207 18.8554 18.9197 18.9206 19.0249 19.0287 19.0674 19.0894 19.4219 19.4419 19.4503 19.4910 k = 0.0500 0.0289-0.0000 ( 4799 PWs) bands (ev): -44.4953 -44.4953 -44.4654 -44.4654 -44.4652 -44.4652 -20.4056 -20.4054 -20.4051 -20.4049 -20.3173 -20.3171 -17.9938 -17.9806 -17.9749 -17.9747 -17.9382 -17.9307 -17.9101 -17.8971 -17.8401 -17.8401 -17.8128 -17.8054 2.6457 2.6457 5.7124 5.7139 5.7162 5.7180 9.2433 9.2436 9.8640 9.8767 9.9205 9.9213 10.6661 10.6715 10.7890 10.8025 11.1193 11.1260 11.7225 11.7271 11.9861 12.0071 12.0755 12.0838 12.9458 12.9536 12.9803 12.9917 13.3100 13.3354 13.3588 13.3792 13.6082 13.6093 13.6273 13.6303 13.8843 13.8996 14.3993 14.4165 15.7927 15.7973 18.4116 18.4360 18.7708 18.8060 18.8986 18.9082 18.9693 18.9840 19.0584 19.0779 19.3936 19.4137 19.4259 19.4487 k = 0.0625 0.0361-0.0000 ( 4805 PWs) bands (ev): -44.4952 -44.4952 -44.4655 -44.4655 -44.4652 -44.4652 -20.4057 -20.4054 -20.4049 -20.4047 -20.3177 -20.3174 -17.9954 -17.9791 -17.9754 -17.9750 -17.9385 -17.9292 -17.9117 -17.8956 -17.8402 -17.8402 -17.8140 -17.8049 2.6599 2.6599 5.7213 5.7232 5.7271 5.7294 9.1635 9.1645 9.7876 9.8016 9.8909 9.8920 10.7218 10.7267 10.8640 10.8848 11.0661 11.0664 11.7269 11.7324 12.0818 12.1049 12.1129 12.1233 12.9216 12.9299 12.9768 12.9894 13.2997 13.3287 13.3742 13.3976 13.5943 13.5950 13.6197 13.6225 13.8842 13.9026 14.3823 14.4035 15.7899 15.7957 18.3389 18.3643 18.7104 18.7425 18.8606 18.8790 18.9163 18.9427 19.0436 19.0554 19.3597 19.3621 19.3842 19.4043 k = 0.0750 0.0433-0.0000 ( 4819 PWs) bands (ev): -44.4952 -44.4952 -44.4657 -44.4657 -44.4654 -44.4654 -20.4058 -20.4055 -20.4047 -20.4045 -20.3182 -20.3179 -17.9970 -17.9780 -17.9759 -17.9750 -17.9386 -17.9276 -17.9134 -17.8942 -17.8404 -17.8404 -17.8153 -17.8044 2.6772 2.6772 5.7322 5.7343 5.7405 5.7432 9.0713 9.0729 9.7076 9.7225 9.8693 9.8726 10.7770 10.7810 10.8602 10.8827 11.0935 11.0959 11.7322 11.7385 12.1574 12.1700 12.1768 12.2026 12.8934 12.9016 12.9762 12.9889 13.2869 13.3180 13.3922 13.4177 13.5797 13.5800 13.6111 13.6134 13.8859 13.9069 14.3625 14.3874 15.7855 15.7925 18.2641 18.2898 18.6409 18.6694 18.8128 18.8329 18.8701 18.8997 19.0212 19.0222 19.2893 19.2988 19.3493 19.3917 k = 0.0875 0.0505-0.0000 ( 4831 PWs) bands (ev): -44.4951 -44.4951 -44.4659 -44.4659 -44.4655 -44.4655 -20.4059 -20.4055 -20.4044 -20.4042 -20.3187 -20.3183 -17.9985 -17.9777 -17.9766 -17.9744 -17.9387 -17.9260 -17.9150 -17.8929 -17.8406 -17.8405 -17.8166 -17.8039 2.6976 2.6976 5.7449 5.7474 5.7562 5.7594 8.9701 8.9723 9.6256 9.6412 9.8547 9.8603 10.7939 10.8112 10.8336 10.8355 11.1875 11.1887 11.7383 11.7454 12.2083 12.2230 12.2684 12.2972 12.8617 12.8693 12.9805 12.9922 13.2718 13.3030 13.4124 13.4388 13.5645 13.5666 13.6021 13.6037 13.8897 13.9129 14.3399 14.3683 15.7789 15.7872 18.1888 18.2145 18.5655 18.5914 18.7588 18.7767 18.8252 18.8509 18.9829 18.9936 19.2118 19.2187 19.3377 19.3882 k = 0.1000 0.0577-0.0000 ( 4835 PWs) bands (ev): -44.4950 -44.4950 -44.4660 -44.4660 -44.4655 -44.4655 -20.4060 -20.4056 -20.4041 -20.4039 -20.3193 -20.3189 -17.9999 -17.9779 -17.9772 -17.9732 -17.9386 -17.9242 -17.9165 -17.8916 -17.8408 -17.8408 -17.8180 -17.8036 2.7211 2.7211 5.7594 5.7622 5.7744 5.7780 8.8627 8.8654 9.5427 9.5589 9.8452 9.8532 10.7166 10.7326 10.8830 10.8852 11.2925 11.2958 11.7452 11.7531 12.2639 12.2808 12.3535 12.3857 12.8268 12.8336 12.9926 13.0020 13.2549 13.2843 13.4342 13.4602 13.5507 13.5548 13.5933 13.5942 13.8958 13.9206 14.3149 14.3465 15.7698 15.7793 18.1142 18.1396 18.4872 18.5120 18.6996 18.7151 18.7758 18.7946 18.9450 18.9664 19.1313 19.1367 19.3366 19.3924 k = 0.1125 0.0650-0.0000 ( 4833 PWs) bands (ev): -44.4948 -44.4948 -44.4662 -44.4662 -44.4655 -44.4655 -20.4061 -20.4056 -20.4037 -20.4035 -20.3199 -20.3195 -18.0012 -17.9784 -17.9779 -17.9720 -17.9384 -17.9224 -17.9179 -17.8904 -17.8410 -17.8410 -17.8194 -17.8033 2.7476 2.7476 5.7756 5.7787 5.7949 5.7990 8.7511 8.7543 9.4595 9.4763 9.8391 9.8496 10.6370 10.6510 10.9318 10.9332 11.3978 11.4022 11.7529 11.7615 12.3220 12.3411 12.4283 12.4641 12.7899 12.7957 13.0156 13.0216 13.2377 13.2638 13.4574 13.4806 13.5396 13.5451 13.5857 13.5863 13.9043 13.9303 14.2878 14.3223 15.7575 15.7684 18.0409 18.0659 18.4086 18.4337 18.6360 18.6494 18.7194 18.7309 18.9148 18.9441 19.0500 19.0550 19.3429 19.4022 k = 0.1250 0.0722-0.0000 ( 4829 PWs) bands (ev): -44.4945 -44.4945 -44.4664 -44.4664 -44.4654 -44.4654 -20.4062 -20.4056 -20.4033 -20.4031 -20.3206 -20.3201 -18.0025 -17.9791 -17.9787 -17.9707 -17.9382 -17.9206 -17.9192 -17.8892 -17.8412 -17.8412 -17.8208 -17.8031 2.7772 2.7772 5.7933 5.7968 5.8177 5.8222 8.6371 8.6407 9.3765 9.3939 9.8349 9.8481 10.5591 10.5710 10.9783 10.9788 11.4983 11.5034 11.7613 11.7707 12.3791 12.3998 12.4892 12.5277 12.7536 12.7579 13.0521 13.0540 13.2238 13.2445 13.4815 13.4964 13.5341 13.5375 13.5802 13.5820 13.9150 13.9421 14.2588 14.2960 15.7417 15.7540 17.9696 17.9943 18.3313 18.3577 18.5688 18.5807 18.6565 18.6616 18.8951 18.9256 18.9688 18.9780 19.3542 19.4155 k = 0.1375 0.0794-0.0000 ( 4825 PWs) bands (ev): -44.4944 -44.4944 -44.4666 -44.4666 -44.4653 -44.4653 -20.4062 -20.4056 -20.4028 -20.4026 -20.3214 -20.3209 -18.0038 -17.9798 -17.9794 -17.9695 -17.9378 -17.9205 -17.9186 -17.8881 -17.8415 -17.8414 -17.8222 -17.8030 2.8098 2.8098 5.8126 5.8164 5.8427 5.8477 8.5216 8.5255 9.2943 9.3121 9.8309 9.8472 10.4846 10.4942 11.0222 11.0225 11.5909 11.5964 11.7704 11.7806 12.4283 12.4492 12.5335 12.5726 12.7243 12.7255 13.0982 13.1012 13.2199 13.2325 13.5012 13.5053 13.5330 13.5388 13.5779 13.5842 13.9280 13.9559 14.2283 14.2679 15.7221 15.7359 17.9011 17.9254 18.2564 18.2848 18.4988 18.5097 18.5895 18.5896 18.8797 18.8830 18.8911 18.9380 19.3680 19.4290 k = 0.1500 0.0866-0.0000 ( 4825 PWs) bands (ev): -44.4941 -44.4941 -44.4668 -44.4668 -44.4653 -44.4653 -20.4063 -20.4056 -20.4023 -20.4020 -20.3223 -20.3217 -18.0049 -17.9805 -17.9801 -17.9685 -17.9374 -17.9215 -17.9167 -17.8871 -17.8418 -17.8417 -17.8236 -17.8029 2.8454 2.8454 5.8331 5.8372 5.8699 5.8754 8.4055 8.4097 9.2130 9.2312 9.8258 9.8455 10.4149 10.4220 11.0635 11.0645 11.6729 11.6782 11.7803 11.7911 12.4570 12.4746 12.5607 12.5975 12.7098 12.7150 13.1426 13.1512 13.2414 13.2425 13.4985 13.5205 13.5393 13.5480 13.5798 13.5959 13.9433 13.9718 14.1968 14.2386 15.6985 15.7139 17.8357 17.8596 18.1847 18.2155 18.4267 18.4370 18.5172 18.5210 18.8047 18.8092 18.8858 18.9365 19.3815 19.4304 k = 0.1625 0.0938-0.0000 ( 4833 PWs) bands (ev): -44.4939 -44.4939 -44.4671 -44.4671 -44.4653 -44.4653 -20.4064 -20.4057 -20.4017 -20.4015 -20.3232 -20.3226 -18.0060 -17.9813 -17.9809 -17.9677 -17.9369 -17.9224 -17.9148 -17.8861 -17.8422 -17.8420 -17.8250 -17.8029 2.8840 2.8840 5.8548 5.8591 5.8993 5.9053 8.2894 8.2940 9.1329 9.1516 9.8178 9.8412 10.3517 10.3557 11.1030 11.1045 11.7418 11.7466 11.7907 11.8023 12.4517 12.4633 12.5720 12.6038 12.7219 12.7363 13.1747 13.1821 13.2956 13.3015 13.4952 13.5216 13.5575 13.5608 13.5883 13.6158 13.9608 13.9902 14.1649 14.2088 15.6708 15.6879 17.7740 17.7976 18.1165 18.1498 18.3528 18.3629 18.4464 18.4535 18.7281 18.7322 18.8937 18.9461 19.3864 19.3969 k = 0.1750 0.1010-0.0000 ( 4839 PWs) bands (ev): -44.4937 -44.4937 -44.4675 -44.4675 -44.4653 -44.4653 -20.4065 -20.4058 -20.4012 -20.4009 -20.3241 -20.3235 -18.0071 -17.9821 -17.9817 -17.9670 -17.9364 -17.9231 -17.9129 -17.8853 -17.8427 -17.8423 -17.8264 -17.8030 2.9254 2.9255 5.8773 5.8819 5.9307 5.9372 8.1739 8.1788 9.0541 9.0733 9.8049 9.8324 10.2966 10.2974 11.1407 11.1428 11.7962 11.7994 11.8017 11.8146 12.4166 12.4238 12.5680 12.5933 12.7569 12.7790 13.2074 13.2083 13.3759 13.3843 13.4956 13.5240 13.5693 13.5815 13.6064 13.6401 13.9803 14.0111 14.1335 14.1797 15.6393 15.6581 17.7164 17.7396 18.0520 18.0878 18.2774 18.2873 18.3785 18.3885 18.6530 18.6570 18.9092 18.9637 19.3464 19.3641 k = 0.1875 0.1083-0.0000 ( 4843 PWs) bands (ev): -44.4934 -44.4934 -44.4678 -44.4678 -44.4654 -44.4654 -20.4066 -20.4058 -20.4005 -20.4003 -20.3252 -20.3245 -18.0081 -17.9830 -17.9824 -17.9666 -17.9359 -17.9236 -17.9109 -17.8845 -17.8432 -17.8426 -17.8277 -17.8032 2.9698 2.9698 5.9005 5.9052 5.9642 5.9711 8.0595 8.0646 8.9770 8.9965 9.7853 9.8167 10.2489 10.2515 11.1768 11.1792 11.8129 11.8242 11.8358 11.8399 12.3651 12.3698 12.5496 12.5684 12.8010 12.8283 13.2454 13.2501 13.4564 13.4610 13.5169 13.5387 13.5853 13.6011 13.6325 13.6665 14.0011 14.0336 14.1052 14.1536 15.6042 15.6249 17.6633 17.6861 17.9915 18.0293 18.2007 18.2102 18.3148 18.3275 18.5798 18.5840 18.9315 18.9884 19.2921 19.3176 k = 0.2000 0.1155-0.0000 ( 4847 PWs) bands (ev): -44.4931 -44.4931 -44.4680 -44.4680 -44.4654 -44.4654 -20.4068 -20.4059 -20.3998 -20.3996 -20.3262 -20.3255 -18.0090 -17.9838 -17.9831 -17.9664 -17.9352 -17.9239 -17.9090 -17.8838 -17.8437 -17.8429 -17.8289 -17.8034 3.0169 3.0170 5.9239 5.9288 5.9995 6.0070 7.9465 7.9520 8.9015 8.9214 9.7575 9.7924 10.2122 10.2175 11.2111 11.2138 11.8241 11.8363 11.8610 11.8632 12.3061 12.3091 12.5190 12.5322 12.8450 12.8762 13.2939 13.3003 13.4894 13.5004 13.5943 13.5981 13.6069 13.6277 13.6621 13.6941 14.0195 14.0469 14.0933 14.1365 15.5659 15.5885 17.6149 17.6375 17.9350 17.9742 18.1229 18.1318 18.2560 18.2710 18.5090 18.5132 18.9601 19.0197 19.2373 19.2638 k = 0.2125 0.1227-0.0000 ( 4847 PWs) bands (ev): -44.4928 -44.4928 -44.4683 -44.4683 -44.4655 -44.4655 -20.4069 -20.4060 -20.3991 -20.3988 -20.3273 -20.3266 -18.0098 -17.9847 -17.9838 -17.9665 -17.9346 -17.9239 -17.9071 -17.8831 -17.8444 -17.8433 -17.8300 -17.8037 3.0669 3.0669 5.9473 5.9522 6.0367 6.0446 7.8355 7.8413 8.8278 8.8480 9.7215 9.7585 10.1877 10.1947 11.2434 11.2462 11.8349 11.8473 11.8735 11.8741 12.2444 12.2459 12.4789 12.4877 12.8844 12.9187 13.3454 13.3463 13.5189 13.5247 13.6286 13.6379 13.6929 13.6995 13.6999 13.7221 14.0276 14.0341 14.1187 14.1397 15.5249 15.5496 17.5716 17.5939 17.8829 17.9226 18.0443 18.0523 18.2024 18.2192 18.4406 18.4446 18.9941 19.0570 19.1841 19.2090 k = 0.2250 0.1299-0.0000 ( 4857 PWs) bands (ev): -44.4925 -44.4925 -44.4687 -44.4687 -44.4655 -44.4655 -20.4070 -20.4061 -20.3983 -20.3981 -20.3285 -20.3277 -18.0106 -17.9856 -17.9845 -17.9667 -17.9339 -17.9238 -17.9052 -17.8826 -17.8451 -17.8436 -17.8310 -17.8041 3.1196 3.1196 5.9699 5.9749 6.0756 6.0840 7.7270 7.7332 8.7559 8.7765 9.6781 9.7163 10.1742 10.1819 11.2733 11.2759 11.8441 11.8566 11.8743 11.8752 12.1836 12.1837 12.4319 12.4375 12.9176 12.9541 13.3744 13.3851 13.5638 13.5738 13.6538 13.6640 13.7239 13.7499 13.7907 13.7969 14.0216 14.0264 14.1622 14.1693 15.4819 15.5088 17.5334 17.5555 17.8355 17.8749 17.9652 17.9722 18.1538 18.1720 18.3748 18.3783 19.0315 19.0994 19.1350 19.1560 k = 0.2375 0.1371-0.0000 ( 4855 PWs) bands (ev): -44.4922 -44.4922 -44.4690 -44.4690 -44.4655 -44.4655 -20.4071 -20.4062 -20.3975 -20.3973 -20.3297 -20.3289 -18.0112 -17.9865 -17.9851 -17.9672 -17.9332 -17.9234 -17.9034 -17.8821 -17.8460 -17.8440 -17.8319 -17.8045 3.1749 3.1749 5.9913 5.9962 6.1161 6.1250 7.6215 7.6281 8.6860 8.7069 9.6292 9.6676 10.1696 10.1772 11.2998 11.3021 11.8501 11.8622 11.8660 11.8684 12.1258 12.1280 12.3803 12.3834 12.9438 12.9821 13.3852 13.4049 13.6236 13.6499 13.6784 13.6877 13.7541 13.7774 13.8662 13.8736 14.0341 14.0411 14.2169 14.2182 15.4377 15.4669 17.5003 17.5223 17.7934 17.8314 17.8863 17.8920 18.1098 18.1288 18.3113 18.3142 19.0563 19.1030 19.1066 19.1493 k = 0.2500 0.1443-0.0000 ( 4855 PWs) bands (ev): -44.4918 -44.4918 -44.4693 -44.4693 -44.4655 -44.4655 -20.4072 -20.4063 -20.3967 -20.3964 -20.3309 -20.3301 -18.0118 -17.9873 -17.9857 -17.9678 -17.9324 -17.9228 -17.9016 -17.8817 -17.8470 -17.8444 -17.8325 -17.8050 3.2328 3.2329 6.0107 6.0154 6.1581 6.1675 7.5199 7.5270 8.6180 8.6392 9.5766 9.6146 10.1716 10.1785 11.3217 11.3234 11.8479 11.8504 11.8574 11.8622 12.0774 12.0826 12.3258 12.3272 12.9635 13.0030 13.3869 13.4109 13.6870 13.6998 13.7089 13.7298 13.7826 13.8040 13.9122 13.9123 14.0926 14.1024 14.2804 14.2816 15.3929 15.4247 17.4722 17.4941 17.7570 17.7924 17.8087 17.8127 18.0698 18.0891 18.2503 18.2521 19.0286 19.0565 19.1388 19.2008 k = 0.2625 0.1516-0.0000 ( 4851 PWs) bands (ev): -44.4914 -44.4914 -44.4696 -44.4696 -44.4655 -44.4655 -20.4073 -20.4064 -20.3957 -20.3955 -20.3321 -20.3313 -18.0122 -17.9882 -17.9862 -17.9686 -17.9316 -17.9221 -17.8999 -17.8814 -17.8480 -17.8448 -17.8330 -17.8055 3.2934 3.2934 6.0270 6.0314 6.2015 6.2113 7.4229 7.4306 8.5521 8.5735 9.5219 9.5592 10.1781 10.1843 11.3371 11.3376 11.8302 11.8315 11.8467 11.8531 12.0440 12.0529 12.2698 12.2699 12.9772 13.0177 13.3845 13.4101 13.7168 13.7182 13.7367 13.7842 13.8108 13.8303 13.9497 13.9581 14.1825 14.1962 14.3531 14.3553 15.3487 15.3832 17.4483 17.4704 17.7237 17.7306 17.7385 17.7615 18.0330 18.0522 18.1917 18.1920 18.9914 19.0140 19.1889 19.2564 k = 0.2750 0.1588-0.0000 ( 4861 PWs) bands (ev): -44.4911 -44.4911 -44.4700 -44.4700 -44.4656 -44.4656 -20.4074 -20.4065 -20.3949 -20.3946 -20.3334 -20.3326 -18.0127 -17.9892 -17.9867 -17.9696 -17.9308 -17.9213 -17.8983 -17.8811 -17.8491 -17.8452 -17.8334 -17.8061 3.3563 3.3564 6.0390 6.0430 6.2460 6.2564 7.3318 7.3401 8.4881 8.5099 9.4663 9.5027 10.1877 10.1931 11.3422 11.3431 11.8063 11.8087 11.8308 11.8368 12.0284 12.0404 12.2125 12.2134 12.9856 13.0268 13.3801 13.4060 13.7228 13.7279 13.7510 13.7898 13.8434 13.8630 14.0212 14.0267 14.2831 14.3009 14.4337 14.4367 15.3059 15.3435 17.4270 17.4495 17.6580 17.6581 17.7077 17.7354 17.9986 18.0173 18.1336 18.1353 18.9580 18.9767 19.2435 19.3148 k = 0.2875 0.1660-0.0000 ( 4859 PWs) bands (ev): -44.4907 -44.4907 -44.4704 -44.4704 -44.4656 -44.4656 -20.4075 -20.4066 -20.3939 -20.3937 -20.3347 -20.3339 -18.0130 -17.9900 -17.9871 -17.9707 -17.9299 -17.9204 -17.8967 -17.8810 -17.8502 -17.8456 -17.8337 -17.8068 3.4217 3.4218 6.0453 6.0488 6.2916 6.3024 7.2478 7.2569 8.4263 8.4482 9.4106 9.4461 10.1992 10.2039 11.3345 11.3372 11.7799 11.7832 11.8135 11.8205 12.0272 12.0413 12.1557 12.1574 12.9896 13.0312 13.3747 13.4002 13.7130 13.7324 13.7533 13.7731 13.8784 13.8967 14.1097 14.1106 14.3874 14.4091 14.5202 14.5237 15.2659 15.3069 17.4048 17.4278 17.5912 17.5928 17.6936 17.7168 17.9659 17.9838 18.0771 18.0813 18.9304 18.9456 19.3002 19.3749 k = 0.3000 0.1732-0.0000 ( 4857 PWs) bands (ev): -44.4903 -44.4903 -44.4707 -44.4707 -44.4656 -44.4656 -20.4076 -20.4067 -20.3929 -20.3927 -20.3360 -20.3352 -18.0132 -17.9909 -17.9875 -17.9718 -17.9291 -17.9194 -17.8953 -17.8809 -17.8513 -17.8460 -17.8337 -17.8075 3.4894 3.4895 6.0442 6.0471 6.3381 6.3493 7.1725 7.1823 8.3665 8.3886 9.3555 9.3901 10.2118 10.2159 11.3131 11.3174 11.7519 11.7559 11.8024 11.8111 12.0349 12.0499 12.1004 12.1028 12.9896 13.0315 13.3690 13.3936 13.6931 13.7268 13.7521 13.7541 13.9138 13.9305 14.1951 14.2015 14.4928 14.5186 14.6105 14.6146 15.2302 15.2749 17.3747 17.3968 17.5400 17.5422 17.6888 17.7060 17.9340 17.9507 18.0227 18.0301 18.9095 18.9210 19.3577 19.4355 k = 0.3125 0.1804-0.0000 ( 4863 PWs) bands (ev): -44.4899 -44.4899 -44.4711 -44.4711 -44.4657 -44.4657 -20.4077 -20.4068 -20.3919 -20.3918 -20.3374 -20.3366 -18.0134 -17.9919 -17.9878 -17.9730 -17.9282 -17.9184 -17.8940 -17.8808 -17.8524 -17.8465 -17.8337 -17.8083 3.5593 3.5594 6.0340 6.0362 6.3852 6.3969 7.1075 7.1181 8.3088 8.3310 9.3015 9.3351 10.2250 10.2286 11.2788 11.2844 11.7232 11.7276 11.8014 11.8118 12.0402 12.0452 12.0545 12.0679 12.9863 13.0283 13.3632 13.3867 13.6686 13.7064 13.7431 13.7480 13.9494 13.9647 14.2755 14.2865 14.5978 14.6278 14.7027 14.7074 15.2010 15.2496 17.3298 17.3487 17.5126 17.5131 17.6935 17.7032 17.9021 17.9169 17.9712 17.9826 18.8956 18.9033 19.4148 19.4956 k = 0.3250 0.1876-0.0000 ( 4863 PWs) bands (ev): -44.4895 -44.4895 -44.4715 -44.4715 -44.4656 -44.4656 -20.4077 -20.4069 -20.3909 -20.3908 -20.3387 -20.3380 -18.0134 -17.9928 -17.9881 -17.9742 -17.9273 -17.9174 -17.8927 -17.8809 -17.8534 -17.8469 -17.8336 -17.8091 3.6313 3.6314 6.0132 6.0147 6.4328 6.4448 7.0540 7.0653 8.2533 8.2755 9.2491 9.2815 10.2383 10.2415 11.2345 11.2408 11.6944 11.6988 11.8104 11.8219 11.9932 11.9957 12.0661 12.0824 12.9800 13.0219 13.3576 13.3798 13.6423 13.6791 13.7347 13.7410 13.9852 13.9991 14.3469 14.3619 14.7003 14.7343 14.7950 14.8006 15.1816 15.2339 17.2719 17.2874 17.5036 17.5048 17.7072 17.7076 17.8695 17.8812 17.9242 17.9410 18.8887 18.8926 19.4698 19.5537 k = 0.3375 0.1949-0.0000 ( 4865 PWs) bands (ev): -44.4891 -44.4891 -44.4720 -44.4720 -44.4656 -44.4656 -20.4078 -20.4070 -20.3899 -20.3898 -20.3400 -20.3393 -18.0134 -17.9937 -17.9884 -17.9754 -17.9263 -17.9165 -17.8917 -17.8810 -17.8543 -17.8474 -17.8333 -17.8099 3.7054 3.7055 5.9808 5.9817 6.4805 6.4929 7.0128 7.0248 8.1999 8.2221 9.1984 9.2296 10.2512 10.2541 11.1836 11.1903 11.6661 11.6704 11.8270 11.8392 11.9442 11.9468 12.0840 12.1005 12.9712 13.0128 13.3523 13.3732 13.6156 13.6504 13.7251 13.7313 14.0209 14.0336 14.4068 14.4250 14.7964 14.8331 14.8860 14.8926 15.1776 15.2321 17.2077 17.2209 17.5062 17.5080 17.7150 17.7301 17.8361 17.8431 17.8842 17.9091 18.8885 18.8887 19.5210 19.6084 k = 0.3500 0.2021-0.0000 ( 4869 PWs) bands (ev): -44.4887 -44.4887 -44.4724 -44.4724 -44.4656 -44.4656 -20.4078 -20.4071 -20.3889 -20.3888 -20.3414 -20.3406 -18.0133 -17.9947 -17.9886 -17.9766 -17.9254 -17.9155 -17.8907 -17.8811 -17.8551 -17.8478 -17.8330 -17.8108 3.7813 3.7814 5.9369 5.9372 6.5281 6.5408 6.9838 6.9962 8.1487 8.1707 9.1499 9.1798 10.2636 10.2662 11.1292 11.1359 11.6389 11.6428 11.8489 11.8615 11.8979 11.9004 12.1032 12.1197 12.9603 13.0012 13.3476 13.3672 13.5890 13.6217 13.7135 13.7194 14.0564 14.0679 14.4541 14.4746 14.8798 14.9138 14.9764 14.9826 15.1979 15.2497 17.1421 17.1538 17.5148 17.5161 17.7193 17.7534 17.8042 17.8087 17.8542 17.8934 18.8903 18.8948 19.5656 19.6563 k = 0.3625 0.2093-0.0000 ( 4861 PWs) bands (ev): -44.4883 -44.4883 -44.4727 -44.4727 -44.4656 -44.4656 -20.4079 -20.4072 -20.3879 -20.3878 -20.3426 -20.3419 -18.0131 -17.9956 -17.9887 -17.9778 -17.9244 -17.9146 -17.8899 -17.8813 -17.8557 -17.8483 -17.8326 -17.8117 3.8589 3.8590 5.8821 5.8822 6.5754 6.5882 6.9659 6.9785 8.0998 8.1215 9.1038 9.1322 10.2751 10.2776 11.0738 11.0804 11.6130 11.6165 11.8531 11.8562 11.8758 11.8879 12.1229 12.1393 12.9476 12.9877 13.3434 13.3618 13.5631 13.5937 13.7005 13.7058 14.0913 14.1017 14.4886 14.5100 14.9438 14.9671 15.0663 15.0704 15.2496 15.2916 17.0774 17.0881 17.5241 17.5242 17.7111 17.7481 17.7776 17.7902 17.8542 17.9020 18.8965 18.9056 19.5999 19.6854 k = 0.3750 0.2165-0.0000 ( 4857 PWs) bands (ev): -44.4878 -44.4878 -44.4731 -44.4731 -44.4656 -44.4656 -20.4079 -20.4073 -20.3868 -20.3868 -20.3439 -20.3432 -18.0129 -17.9966 -17.9888 -17.9789 -17.9234 -17.9139 -17.8892 -17.8815 -17.8562 -17.8488 -17.8321 -17.8127 3.9380 3.9381 5.8178 5.8182 6.6219 6.6347 6.9576 6.9701 8.0533 8.0746 9.0603 9.0871 10.2856 10.2880 11.0192 11.0255 11.5889 11.5919 11.8134 11.8159 11.9028 11.9152 12.1427 12.1588 12.9336 12.9724 13.3400 13.3572 13.5381 13.5666 13.6863 13.6911 14.1253 14.1347 14.5115 14.5324 14.9875 14.9988 15.1531 15.1555 15.3272 15.3566 17.0150 17.0253 17.5255 17.5275 17.6923 17.7243 17.7588 17.7691 17.8976 17.9356 18.9052 18.9191 19.6191 19.6715 k = 0.3875 0.2237-0.0000 ( 4869 PWs) bands (ev): -44.4875 -44.4875 -44.4736 -44.4736 -44.4656 -44.4656 -20.4080 -20.4074 -20.3859 -20.3858 -20.3451 -20.3445 -18.0126 -17.9976 -17.9889 -17.9801 -17.9224 -17.9132 -17.8886 -17.8818 -17.8566 -17.8493 -17.8315 -17.8137 4.0183 4.0184 5.7462 5.7468 6.6671 6.6799 6.9568 6.9690 8.0093 8.0299 9.0199 9.0448 10.2951 10.2973 10.9667 10.9726 11.5668 11.5694 11.7765 11.7788 11.9313 11.9435 12.1622 12.1779 12.9186 12.9559 13.3375 13.3536 13.5143 13.5408 13.6715 13.6757 14.1580 14.1664 14.5245 14.5438 15.0166 15.0199 15.2348 15.2366 15.4180 15.4367 16.9561 16.9660 17.5143 17.5183 17.6694 17.7004 17.7532 17.7563 17.9597 17.9874 18.9132 18.9322 19.6182 19.6285 k = 0.4000 0.2309-0.0000 ( 4859 PWs) bands (ev): -44.4870 -44.4870 -44.4739 -44.4739 -44.4656 -44.4656 -20.4080 -20.4075 -20.3849 -20.3849 -20.3462 -20.3457 -18.0121 -17.9986 -17.9888 -17.9811 -17.9214 -17.9127 -17.8881 -17.8821 -17.8568 -17.8498 -17.8308 -17.8148 4.0996 4.0998 5.6692 5.6699 6.7108 6.7232 6.9615 6.9731 7.9681 7.9878 8.9826 9.0055 10.3034 10.3055 10.9175 10.9229 11.5470 11.5490 11.7431 11.7451 11.9600 11.9716 12.1810 12.1961 12.9031 12.9385 13.3358 13.3510 13.4917 13.5163 13.6565 13.6601 14.1890 14.1965 14.5300 14.5468 15.0368 15.0375 15.3107 15.3123 15.5126 15.5237 16.9014 16.9109 17.4905 17.4958 17.6423 17.6706 17.7652 17.7659 18.0316 18.0516 18.9170 18.9409 19.5897 19.5906 k = 0.4125 0.2382-0.0000 ( 4859 PWs) bands (ev): -44.4867 -44.4867 -44.4742 -44.4742 -44.4655 -44.4655 -20.4080 -20.4075 -20.3840 -20.3840 -20.3473 -20.3468 -18.0116 -17.9996 -17.9888 -17.9821 -17.9204 -17.9123 -17.8877 -17.8825 -17.8568 -17.8504 -17.8301 -17.8158 4.1815 4.1816 5.5886 5.5893 6.7522 6.7642 6.9698 6.9806 7.9300 7.9485 8.9490 8.9696 10.3105 10.3124 10.8724 10.8773 11.5295 11.5310 11.7133 11.7151 11.9879 11.9988 12.1987 12.2130 12.8878 12.9206 13.3351 13.3495 13.4705 13.4934 13.6417 13.6448 14.2180 14.2245 14.5302 14.5442 15.0513 15.0536 15.3799 15.3815 15.6053 15.6113 16.8516 16.8608 17.4593 17.4653 17.6116 17.6363 17.7910 17.7935 18.1100 18.1241 18.9131 18.9410 19.5610 19.5638 k = 0.4250 0.2454-0.0000 ( 4865 PWs) bands (ev): -44.4864 -44.4864 -44.4746 -44.4746 -44.4656 -44.4656 -20.4080 -20.4076 -20.3831 -20.3831 -20.3483 -20.3479 -18.0111 -18.0006 -17.9887 -17.9830 -17.9194 -17.9121 -17.8874 -17.8829 -17.8567 -17.8509 -17.8293 -17.8169 4.2632 4.2634 5.5061 5.5068 6.7908 6.8020 6.9802 6.9900 7.8953 7.9124 8.9192 8.9374 10.3165 10.3183 10.8320 10.8363 11.5144 11.5155 11.6873 11.6888 12.0145 12.0244 12.2150 12.2283 12.8731 12.9030 13.3355 13.3493 13.4508 13.4720 13.6277 13.6303 14.2443 14.2500 14.5271 14.5384 15.0640 15.0665 15.4419 15.4434 15.6930 15.6954 16.8073 16.8160 17.4258 17.4321 17.5795 17.6007 17.8260 17.8298 18.1920 18.2015 18.8992 18.9293 19.5446 19.5534 k = 0.4375 0.2526-0.0000 ( 4867 PWs) bands (ev): -44.4861 -44.4861 -44.4748 -44.4748 -44.4656 -44.4656 -20.4080 -20.4077 -20.3824 -20.3824 -20.3492 -20.3489 -18.0105 -18.0016 -17.9885 -17.9838 -17.9184 -17.9120 -17.8871 -17.8833 -17.8566 -17.8515 -17.8285 -17.8180 4.3439 4.3441 5.4235 5.4241 6.8258 6.8360 6.9913 7.0000 7.8646 7.8798 8.8935 8.9091 10.3214 10.3229 10.7970 10.8006 11.5017 11.5025 11.6652 11.6664 12.0389 12.0477 12.2296 12.2416 12.8596 12.8859 13.3370 13.3503 13.4327 13.4523 13.6150 13.6171 14.2675 14.2724 14.5224 14.5311 15.0746 15.0769 15.4960 15.4972 15.7727 15.7729 16.7691 16.7772 17.3935 17.3996 17.5481 17.5659 17.8654 17.8702 18.2744 18.2804 18.8758 18.9058 19.5182 19.5405 k = 0.4500 0.2598-0.0000 ( 4867 PWs) bands (ev): -44.4859 -44.4859 -44.4751 -44.4751 -44.4657 -44.4657 -20.4081 -20.4078 -20.3817 -20.3817 -20.3500 -20.3497 -18.0098 -18.0026 -17.9883 -17.9846 -17.9174 -17.9121 -17.8868 -17.8837 -17.8562 -17.8521 -17.8275 -17.8191 4.4220 4.4222 5.3431 5.3437 6.8565 6.8652 7.0021 7.0094 7.8384 7.8514 8.8724 8.8851 10.3252 10.3266 10.7678 10.7707 11.4914 11.4919 11.6470 11.6480 12.0606 12.0679 12.2423 12.2525 12.8481 12.8702 13.3398 13.3527 13.4163 13.4344 13.6039 13.6055 14.2874 14.2913 14.5173 14.5238 15.0832 15.0850 15.5414 15.5424 15.8412 15.8423 16.7376 16.7447 17.3647 17.3701 17.5190 17.5336 17.9056 17.9110 18.3536 18.3569 18.8463 18.8739 19.4796 19.4980 k = 0.4625 0.2670-0.0000 ( 4865 PWs) bands (ev): -44.4856 -44.4856 -44.4753 -44.4753 -44.4657 -44.4657 -20.4080 -20.4078 -20.3812 -20.3811 -20.3506 -20.3504 -18.0090 -18.0036 -17.9881 -17.9853 -17.9165 -17.9124 -17.8864 -17.8841 -17.8559 -17.8527 -17.8266 -17.8202 4.4949 4.4951 5.2680 5.2685 6.8820 6.8889 7.0117 7.0173 7.8175 7.8277 8.8560 8.8658 10.3282 10.3292 10.7447 10.7470 11.4835 11.4838 11.6328 11.6335 12.0787 12.0844 12.2527 12.2608 12.8391 12.8564 13.3438 13.3565 13.4017 13.4184 13.5949 13.5960 14.3033 14.3064 14.5127 14.5172 15.0898 15.0910 15.5774 15.5782 15.8978 15.8995 16.7130 16.7188 17.3409 17.3453 17.4942 17.5053 17.9432 17.9485 18.4248 18.4264 18.8158 18.8389 19.4416 19.4561 k = 0.4750 0.2742-0.0000 ( 4873 PWs) bands (ev): -44.4856 -44.4856 -44.4755 -44.4755 -44.4657 -44.4657 -20.4080 -20.4079 -20.3808 -20.3807 -20.3511 -20.3509 -18.0082 -18.0046 -17.9878 -17.9859 -17.9156 -17.9128 -17.8861 -17.8846 -17.8554 -17.8533 -17.8256 -17.8213 4.5579 4.5581 5.2033 5.2036 6.9013 6.9062 7.0193 7.0232 7.8025 7.8096 8.8447 8.8512 10.3303 10.3310 10.7282 10.7297 11.4779 11.4781 11.6226 11.6231 12.0925 12.0964 12.2606 12.2663 12.8331 12.8450 13.3490 13.3613 13.3893 13.4042 13.5882 13.5889 14.3151 14.3172 14.5092 14.5121 15.0944 15.0952 15.6037 15.6041 15.9405 15.9420 16.6956 16.6997 17.3233 17.3264 17.4754 17.4830 17.9747 17.9790 18.4825 18.4831 18.7900 18.8068 19.4091 19.4193 k = 0.4875 0.2815-0.0000 ( 4862 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4656 -44.4656 -20.4080 -20.4079 -20.3805 -20.3805 -20.3513 -20.3512 -18.0074 -18.0056 -17.9874 -17.9865 -17.9147 -17.9133 -17.8857 -17.8850 -17.8549 -17.8538 -17.8246 -17.8224 4.6030 4.6031 5.1571 5.1573 6.9138 6.9163 7.0245 7.0265 7.7940 7.7977 8.8384 8.8417 10.3316 10.3320 10.7183 10.7191 11.4746 11.4746 11.6166 11.6168 12.1015 12.1035 12.2661 12.2690 12.8307 12.8367 13.3555 13.3654 13.3808 13.3921 13.5842 13.5845 14.3224 14.3235 14.5073 14.5086 15.0972 15.0976 15.6196 15.6198 15.9672 15.9681 16.6856 16.6877 17.3127 17.3143 17.4642 17.4680 17.9963 17.9987 18.5205 18.5207 18.7740 18.7830 19.3875 19.3929 k = 0.5000 0.2887-0.0000 ( 4862 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4656 -44.4656 -20.4080 -20.4080 -20.3804 -20.3804 -20.3514 -20.3514 -18.0065 -18.0065 -17.9869 -17.9869 -17.9139 -17.9139 -17.8854 -17.8854 -17.8544 -17.8544 -17.8235 -17.8235 4.6200 4.6200 5.1399 5.1399 6.9189 6.9189 7.0269 7.0269 7.7924 7.7924 8.8374 8.8374 10.3322 10.3322 10.7153 10.7153 11.4735 11.4735 11.6146 11.6146 12.1053 12.1053 12.2689 12.2689 12.8319 12.8319 13.3624 13.3624 13.3829 13.3829 13.5829 13.5829 14.3253 14.3253 14.5070 14.5070 15.0983 15.0983 15.6250 15.6250 15.9766 15.9766 16.6830 16.6830 17.3097 17.3097 17.4616 17.4616 18.0048 18.0048 18.5339 18.5339 18.7714 18.7714 19.3815 19.3815 k = 0.5000 0.2887-0.0000 ( 4862 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4656 -44.4656 -20.4080 -20.4080 -20.3804 -20.3804 -20.3514 -20.3514 -18.0065 -18.0065 -17.9869 -17.9869 -17.9139 -17.9139 -17.8854 -17.8854 -17.8544 -17.8544 -17.8235 -17.8235 4.6200 4.6200 5.1399 5.1399 6.9189 6.9189 7.0269 7.0269 7.7924 7.7924 8.8374 8.8374 10.3322 10.3322 10.7153 10.7153 11.4735 11.4735 11.6146 11.6146 12.1053 12.1053 12.2689 12.2689 12.8319 12.8319 13.3624 13.3624 13.3829 13.3829 13.5829 13.5829 14.3253 14.3253 14.5070 14.5070 15.0983 15.0983 15.6250 15.6250 15.9766 15.9766 16.6830 16.6830 17.3097 17.3097 17.4616 17.4616 18.0048 18.0048 18.5339 18.5339 18.7714 18.7714 19.3815 19.3815 k = 0.4928 0.3012-0.0000 ( 4852 PWs) bands (ev): -44.4853 -44.4853 -44.4754 -44.4754 -44.4655 -44.4655 -20.4080 -20.4079 -20.3804 -20.3803 -20.3514 -20.3514 -18.0072 -18.0057 -17.9875 -17.9863 -17.9144 -17.9134 -17.8861 -17.8847 -17.8551 -17.8536 -17.8237 -17.8233 4.6209 4.6211 5.1409 5.1413 6.9027 6.9089 7.0366 7.0432 7.7922 7.7929 8.8381 8.8387 10.3098 10.3118 10.7330 10.7343 11.4576 11.4615 11.5970 11.5979 12.1196 12.1234 12.2860 12.2861 12.8318 12.8337 13.3637 13.3640 13.3816 13.3827 13.5835 13.5849 14.3241 14.3243 14.5041 14.5041 15.0980 15.1014 15.6230 15.6275 15.9738 15.9753 16.6860 16.6896 17.3049 17.3132 17.4600 17.4684 18.0018 18.0049 18.5261 18.5363 18.7677 18.7819 19.3846 19.3865 k = 0.4855 0.3138-0.0000 ( 4848 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4655 -44.4655 -20.4080 -20.4079 -20.3803 -20.3802 -20.3515 -20.3514 -18.0079 -18.0051 -17.9881 -17.9858 -17.9148 -17.9129 -17.8868 -17.8842 -17.8557 -17.8527 -17.8240 -17.8231 4.6241 4.6244 5.1442 5.1451 6.8720 6.8805 7.0643 7.0736 7.7922 7.7938 8.8407 8.8418 10.2550 10.2582 10.7770 10.7788 11.4192 11.4263 11.5497 11.5514 12.1627 12.1694 12.3328 12.3329 12.8334 12.8373 13.3662 13.3668 13.3808 13.3829 13.5867 13.5894 14.3207 14.3211 14.4954 14.4954 15.1006 15.1074 15.6216 15.6305 15.9669 15.9698 16.6985 16.7055 17.2995 17.3152 17.4639 17.4797 17.9962 18.0022 18.5138 18.5326 18.7715 18.7980 19.3955 19.3994 k = 0.4783 0.3263-0.0000 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4755 -44.4755 -44.4656 -44.4656 -20.4080 -20.4078 -20.3803 -20.3800 -20.3517 -20.3516 -18.0086 -18.0044 -17.9886 -17.9852 -17.9151 -17.9123 -17.8877 -17.8838 -17.8562 -17.8518 -17.8244 -17.8230 4.6294 4.6299 5.1500 5.1513 6.8357 6.8449 7.0989 7.1093 7.7926 7.7949 8.8452 8.8469 10.1833 10.1872 10.8283 10.8300 11.3705 11.3799 11.4823 11.4845 12.2256 12.2344 12.3998 12.3999 12.8369 12.8426 13.3642 13.3645 13.3874 13.3890 13.5920 13.5960 14.3152 14.3158 14.4811 14.4812 15.1061 15.1162 15.6206 15.6338 15.9568 15.9606 16.7198 16.7299 17.2942 17.3156 17.4733 17.4949 17.9882 17.9971 18.4982 18.5229 18.7827 18.8189 19.4138 19.4195 k = 0.4710 0.3389-0.0000 ( 4844 PWs) bands (ev): -44.4850 -44.4850 -44.4755 -44.4755 -44.4655 -44.4655 -20.4081 -20.4078 -20.3801 -20.3797 -20.3519 -20.3518 -18.0092 -18.0038 -17.9891 -17.9846 -17.9153 -17.9117 -17.8885 -17.8835 -17.8565 -17.8508 -17.8248 -17.8229 4.6368 4.6375 5.1581 5.1599 6.7964 6.8058 7.1365 7.1473 7.7933 7.7964 8.8516 8.8538 10.1041 10.1084 10.8701 10.8716 11.3258 11.3371 11.4028 11.4051 12.3006 12.3107 12.4788 12.4792 12.8423 12.8498 13.3566 13.3579 13.4012 13.4023 13.5991 13.6043 14.3077 14.3085 14.4614 14.4617 15.1145 15.1278 15.6202 15.6374 15.9442 15.9488 16.7487 16.7615 17.2893 17.3148 17.4876 17.5132 17.9784 17.9899 18.4799 18.5078 18.8007 18.8438 19.4386 19.4463 k = 0.4638 0.3514-0.0000 ( 4848 PWs) bands (ev): -44.4850 -44.4850 -44.4757 -44.4757 -44.4655 -44.4655 -20.4081 -20.4078 -20.3799 -20.3795 -20.3522 -20.3521 -18.0099 -18.0033 -17.9896 -17.9841 -17.9156 -17.9111 -17.8894 -17.8835 -17.8567 -17.8499 -17.8253 -17.8230 4.6464 4.6472 5.1686 5.1708 6.7551 6.7644 7.1757 7.1869 7.7944 7.7982 8.8598 8.8626 10.0221 10.0267 10.8863 10.8880 11.2976 11.3140 11.3187 11.3207 12.3822 12.3933 12.5645 12.5652 12.8497 12.8591 13.3469 13.3487 13.4198 13.4206 13.6075 13.6137 14.2983 14.2991 14.4367 14.4373 15.1256 15.1422 15.6201 15.6411 15.9301 15.9349 16.7841 16.7991 17.2851 17.3133 17.5061 17.5342 17.9676 17.9813 18.4594 18.4883 18.8245 18.8723 19.4646 19.4651 k = 0.4565 0.3640-0.0000 ( 4852 PWs) bands (ev): -44.4849 -44.4849 -44.4758 -44.4758 -44.4656 -44.4656 -20.4081 -20.4077 -20.3797 -20.3792 -20.3525 -20.3524 -18.0105 -18.0030 -17.9900 -17.9837 -17.9157 -17.9105 -17.8903 -17.8836 -17.8566 -17.8489 -17.8258 -17.8230 4.6581 4.6591 5.1814 5.1840 6.7116 6.7208 7.2163 7.2276 7.7957 7.8002 8.8699 8.8731 9.9398 9.9446 10.8666 10.8693 11.2226 11.2282 11.3129 11.3215 12.4669 12.4789 12.6535 12.6546 12.8594 12.8706 13.3361 13.3381 13.4425 13.4429 13.6167 13.6239 14.2869 14.2878 14.4075 14.4084 15.1395 15.1592 15.6205 15.6450 15.9152 15.9200 16.8247 16.8415 17.2818 17.3115 17.5279 17.5574 17.9563 17.9720 18.4370 18.4655 18.8533 18.9042 19.4021 19.4126 k = 0.4493 0.3765-0.0000 ( 4846 PWs) bands (ev): -44.4847 -44.4847 -44.4759 -44.4759 -44.4656 -44.4656 -20.4082 -20.4077 -20.3793 -20.3788 -20.3529 -20.3528 -18.0110 -18.0027 -17.9902 -17.9832 -17.9158 -17.9098 -17.8912 -17.8839 -17.8564 -17.8480 -17.8263 -17.8231 4.6718 4.6729 5.1964 5.1995 6.6661 6.6751 7.2579 7.2694 7.7974 7.8026 8.8816 8.8854 9.8587 9.8638 10.8162 10.8202 11.1305 11.1358 11.3471 11.3551 12.5526 12.5653 12.7433 12.7448 12.8720 12.8849 13.3245 13.3267 13.4686 13.4686 13.6263 13.6345 14.2739 14.2747 14.3744 14.3758 15.1560 15.1788 15.6211 15.6488 15.9000 15.9046 16.8694 16.8877 17.2793 17.3097 17.5525 17.5824 17.9454 17.9627 18.4131 18.4401 18.8864 18.9391 19.3357 19.3469 k = 0.4420 0.3891-0.0000 ( 4842 PWs) bands (ev): -44.4845 -44.4845 -44.4760 -44.4760 -44.4656 -44.4656 -20.4082 -20.4077 -20.3790 -20.3783 -20.3534 -20.3532 -18.0115 -18.0026 -17.9904 -17.9828 -17.9158 -17.9092 -17.8921 -17.8844 -17.8560 -17.8470 -17.8269 -17.8233 4.6875 4.6888 5.2137 5.2173 6.6184 6.6271 7.3006 7.3122 7.7993 7.8052 8.8951 8.8993 9.7799 9.7850 10.7478 10.7529 11.0374 11.0428 11.3961 11.4032 12.6375 12.6508 12.8305 12.8330 12.8900 12.9038 13.3125 13.3150 13.4973 13.4977 13.6362 13.6454 14.2590 14.2594 14.3383 14.3401 15.1751 15.2008 15.6220 15.6525 15.8850 15.8891 16.9171 16.9365 17.2775 17.3080 17.5791 17.6087 17.9354 17.9540 18.3878 18.4128 18.9231 18.9765 19.2675 19.2791 k = 0.4348 0.4016-0.0000 ( 4838 PWs) bands (ev): -44.4843 -44.4843 -44.4761 -44.4761 -44.4655 -44.4655 -20.4082 -20.4077 -20.3785 -20.3778 -20.3540 -20.3538 -18.0120 -18.0027 -17.9904 -17.9824 -17.9158 -17.9085 -17.8929 -17.8851 -17.8555 -17.8461 -17.8275 -17.8236 4.7053 4.7067 5.2332 5.2373 6.5681 6.5766 7.3443 7.3560 7.8016 7.8082 8.9101 8.9147 9.7039 9.7091 10.6710 10.6769 10.9444 10.9501 11.4505 11.4568 12.7199 12.7333 12.8927 12.9031 12.9355 12.9431 13.3005 13.3031 13.5284 13.5293 13.6459 13.6563 14.2416 14.2420 14.3004 14.3023 15.1967 15.2252 15.6229 15.6560 15.8705 15.8741 16.9671 16.9873 17.2764 17.3064 17.6071 17.6356 17.9270 17.9465 18.3617 18.3844 18.9624 19.0151 19.2001 19.2126 k = 0.4275 0.4142-0.0000 ( 4840 PWs) bands (ev): -44.4842 -44.4842 -44.4763 -44.4763 -44.4656 -44.4656 -20.4082 -20.4077 -20.3780 -20.3773 -20.3546 -20.3544 -18.0123 -18.0029 -17.9903 -17.9821 -17.9156 -17.9079 -17.8937 -17.8859 -17.8548 -17.8451 -17.8281 -17.8239 4.7249 4.7265 5.2549 5.2594 6.5153 6.5236 7.3888 7.4005 7.8042 7.8114 8.9265 8.9315 9.6311 9.6363 10.5912 10.5977 10.8524 10.8585 11.5053 11.5109 12.7972 12.8091 12.9245 12.9375 13.0163 13.0210 13.2886 13.2917 13.5610 13.5627 13.6555 13.6673 14.2189 14.2214 14.2638 14.2647 15.2207 15.2516 15.6239 15.6592 15.8567 15.8595 17.0185 17.0394 17.2757 17.3050 17.6357 17.6625 17.9206 17.9407 18.3354 18.3557 19.0017 19.0486 19.1369 19.1548 k = 0.4203 0.4267-0.0000 ( 4834 PWs) bands (ev): -44.4839 -44.4839 -44.4764 -44.4764 -44.4655 -44.4655 -20.4082 -20.4077 -20.3775 -20.3767 -20.3552 -20.3550 -18.0126 -18.0032 -17.9901 -17.9817 -17.9153 -17.9072 -17.8945 -17.8868 -17.8539 -17.8442 -17.8288 -17.8243 4.7464 4.7481 5.2786 5.2836 6.4599 6.4678 7.4341 7.4458 7.8070 7.8148 8.9443 8.9496 9.5617 9.5670 10.5117 10.5184 10.7620 10.7684 11.5579 11.5628 12.8643 12.8698 12.9661 12.9736 13.0979 13.1037 13.2771 13.2815 13.5946 13.5969 13.6648 13.6783 14.1871 14.1930 14.2323 14.2335 15.2467 15.2800 15.6248 15.6620 15.8436 15.8457 17.0708 17.0920 17.2753 17.3034 17.6642 17.6886 17.9166 17.9370 18.3098 18.3276 19.0256 19.0444 19.0937 19.1390 k = 0.4130 0.4393-0.0000 ( 4842 PWs) bands (ev): -44.4837 -44.4837 -44.4767 -44.4767 -44.4656 -44.4656 -20.4082 -20.4077 -20.3769 -20.3761 -20.3559 -20.3557 -18.0129 -18.0037 -17.9899 -17.9815 -17.9150 -17.9066 -17.8952 -17.8879 -17.8530 -17.8434 -17.8295 -17.8248 4.7696 4.7714 5.3044 5.3099 6.4016 6.4093 7.4799 7.4917 7.8101 7.8185 8.9632 8.9688 9.4958 9.5011 10.4344 10.4414 10.6739 10.6806 11.6068 11.6111 12.9107 12.9150 13.0237 13.0260 13.1728 13.1829 13.2670 13.2755 13.6281 13.6308 13.6738 13.6898 14.1461 14.1545 14.2082 14.2103 15.2746 15.3099 15.6256 15.6644 15.8313 15.8325 17.1235 17.1447 17.2749 17.3016 17.6912 17.7127 17.9154 17.9357 18.2859 18.3014 18.9938 18.9972 19.1096 19.1691 k = 0.4058 0.4518-0.0000 ( 4842 PWs) bands (ev): -44.4835 -44.4835 -44.4769 -44.4769 -44.4656 -44.4656 -20.4082 -20.4077 -20.3762 -20.3755 -20.3567 -20.3564 -18.0131 -18.0042 -17.9896 -17.9813 -17.9146 -17.9060 -17.8959 -17.8890 -17.8519 -17.8425 -17.8302 -17.8253 4.7944 4.7964 5.3321 5.3381 6.3407 6.3482 7.5260 7.5377 7.8134 7.8224 8.9829 8.9887 9.4334 9.4386 10.3611 10.3682 10.5885 10.5954 11.6513 11.6551 12.9402 12.9514 13.0857 13.0953 13.2223 13.2417 13.2735 13.2911 13.6601 13.6625 13.6832 13.7029 14.1005 14.1106 14.1885 14.1905 15.3040 15.3410 15.6262 15.6664 15.8198 15.8201 17.1762 17.1972 17.2743 17.2994 17.7154 17.7333 17.9173 17.9372 18.2654 18.2785 18.9457 18.9459 19.1389 19.1981 k = 0.3986 0.4644-0.0000 ( 4838 PWs) bands (ev): -44.4832 -44.4832 -44.4772 -44.4772 -44.4656 -44.4656 -20.4082 -20.4077 -20.3755 -20.3748 -20.3575 -20.3572 -18.0132 -18.0048 -17.9892 -17.9811 -17.9142 -17.9054 -17.8965 -17.8902 -17.8508 -17.8417 -17.8309 -17.8259 4.8207 4.8227 5.3616 5.3682 6.2771 6.2845 7.5720 7.5837 7.8169 7.8264 9.0033 9.0092 9.3744 9.3795 10.2930 10.3002 10.5064 10.5136 11.6911 11.6944 12.9660 12.9808 13.1515 13.1660 13.2283 13.2404 13.3361 13.3456 13.6844 13.6882 13.6985 13.7208 14.0528 14.0645 14.1709 14.1723 15.3346 15.3729 15.6264 15.6677 15.8085 15.8090 17.2284 17.2489 17.2734 17.2966 17.7349 17.7489 17.9225 17.9418 18.2498 18.2606 18.8996 18.9016 19.1430 19.1892 k = 0.3913 0.4769-0.0000 ( 4838 PWs) bands (ev): -44.4829 -44.4829 -44.4774 -44.4774 -44.4656 -44.4656 -20.4082 -20.4077 -20.3747 -20.3740 -20.3583 -20.3580 -18.0133 -18.0054 -17.9889 -17.9809 -17.9136 -17.9050 -17.8971 -17.8914 -17.8497 -17.8410 -17.8316 -17.8265 4.8482 4.8503 5.3929 5.4000 6.2112 6.2184 7.6174 7.6292 7.8206 7.8306 9.0239 9.0299 9.3188 9.3236 10.2314 10.2385 10.4283 10.4357 11.7261 11.7290 12.9905 13.0074 13.2102 13.2212 13.2351 13.2382 13.4003 13.4077 13.6953 13.7055 13.7245 13.7451 14.0041 14.0177 14.1547 14.1555 15.3658 15.4051 15.6263 15.6683 15.7977 15.7991 17.2713 17.2807 17.2917 17.3011 17.7479 17.7577 17.9313 17.9497 18.2408 18.2493 18.8612 18.8646 19.0997 19.1238 k = 0.3841 0.4895-0.0000 ( 4842 PWs) bands (ev): -44.4827 -44.4827 -44.4777 -44.4777 -44.4657 -44.4657 -20.4082 -20.4078 -20.3739 -20.3732 -20.3592 -20.3589 -18.0132 -18.0061 -17.9886 -17.9808 -17.9129 -17.9046 -17.8976 -17.8927 -17.8485 -17.8403 -17.8323 -17.8272 4.8766 4.8787 5.4259 5.4335 6.1434 6.1505 7.6617 7.6734 7.8244 7.8348 9.0444 9.0502 9.2665 9.2710 10.1772 10.1842 10.3548 10.3624 11.7564 11.7589 13.0144 13.0325 13.2121 13.2164 13.2857 13.3008 13.4580 13.4656 13.7038 13.7187 13.7496 13.7711 13.9552 13.9708 14.1402 14.1403 15.3973 15.4371 15.6255 15.6681 15.7879 15.7901 17.2698 17.2886 17.3308 17.3495 17.7530 17.7587 17.9440 17.9613 18.2395 18.2452 18.8313 18.8340 19.0271 19.0348 k = 0.3768 0.5020-0.0000 ( 4850 PWs) bands (ev): -44.4824 -44.4824 -44.4780 -44.4780 -44.4658 -44.4658 -20.4082 -20.4079 -20.3730 -20.3724 -20.3602 -20.3599 -18.0132 -18.0068 -17.9884 -17.9807 -17.9122 -17.9043 -17.8980 -17.8939 -17.8474 -17.8396 -17.8329 -17.8280 4.9056 4.9077 5.4604 5.4686 6.0741 6.0811 7.7039 7.7156 7.8282 7.8391 9.0642 9.0697 9.2177 9.2219 10.1312 10.1379 10.2868 10.2945 11.7822 11.7842 13.0377 13.0564 13.2024 13.2082 13.3443 13.3628 13.5079 13.5167 13.7124 13.7311 13.7708 13.7948 13.9068 13.9246 14.1270 14.1278 15.4283 15.4681 15.6239 15.6667 15.7792 15.7822 17.2673 17.2838 17.3799 17.3971 17.7498 17.7518 17.9609 17.9770 18.2452 18.2478 18.8041 18.8080 18.9460 18.9550 k = 0.3696 0.5146-0.0000 ( 4862 PWs) bands (ev): -44.4822 -44.4822 -44.4784 -44.4784 -44.4658 -44.4658 -20.4082 -20.4079 -20.3722 -20.3716 -20.3612 -20.3608 -18.0130 -18.0076 -17.9881 -17.9806 -17.9115 -17.9041 -17.8983 -17.8950 -17.8463 -17.8390 -17.8335 -17.8289 4.9345 4.9365 5.4963 5.5052 6.0041 6.0111 7.7432 7.7548 7.8320 7.8434 9.0826 9.0876 9.1731 9.1769 10.0941 10.1004 10.2251 10.2328 11.8036 11.8053 13.0599 13.0789 13.1927 13.1994 13.3998 13.4206 13.5490 13.5592 13.7220 13.7440 13.7869 13.8136 13.8600 13.8801 14.1163 14.1179 15.4584 15.4975 15.6212 15.6638 15.7720 15.7753 17.2644 17.2785 17.4270 17.4423 17.7379 17.7390 17.9825 17.9974 18.2553 18.2558 18.7595 18.7763 18.8812 18.9103 k = 0.3623 0.5271-0.0000 ( 4858 PWs) bands (ev): -44.4818 -44.4818 -44.4787 -44.4787 -44.4658 -44.4658 -20.4082 -20.4079 -20.3712 -20.3706 -20.3622 -20.3618 -18.0127 -18.0083 -17.9879 -17.9805 -17.9106 -17.9042 -17.8986 -17.8961 -17.8452 -17.8384 -17.8339 -17.8297 4.9626 4.9644 5.5334 5.5430 5.9344 5.9415 7.7783 7.7897 7.8358 7.8477 9.0990 9.1028 9.1335 9.1374 10.0661 10.0721 10.1707 10.1782 11.8208 11.8221 13.0808 13.0998 13.1832 13.1907 13.4515 13.4740 13.5807 13.5920 13.7325 13.7578 13.7957 13.8062 13.8355 13.8398 14.1084 14.1107 15.4869 15.5247 15.6171 15.6590 15.7665 15.7698 17.2615 17.2730 17.4715 17.4846 17.7186 17.7225 18.0093 18.0231 18.2636 18.2671 18.6952 18.7139 18.8679 18.9048 k = 0.3551 0.5397-0.0000 ( 4860 PWs) bands (ev): -44.4815 -44.4815 -44.4791 -44.4791 -44.4658 -44.4658 -20.4082 -20.4079 -20.3702 -20.3697 -20.3633 -20.3628 -18.0124 -18.0089 -17.9878 -17.9805 -17.9096 -17.9044 -17.8987 -17.8969 -17.8443 -17.8379 -17.8342 -17.8306 4.9886 4.9901 5.5715 5.5820 5.8666 5.8738 7.8075 7.8184 7.8395 7.8521 9.0988 9.0993 9.1142 9.1198 10.0473 10.0529 10.1246 10.1318 11.8340 11.8350 13.0996 13.1184 13.1739 13.1822 13.4994 13.5230 13.6033 13.6149 13.7403 13.7620 13.7727 13.7882 13.8167 13.8430 14.1037 14.1062 15.5133 15.5490 15.6111 15.6523 15.7628 15.7657 17.2588 17.2677 17.5126 17.5231 17.6960 17.7025 18.0421 18.0545 18.2673 18.2734 18.6282 18.6427 18.8902 18.9273 k = 0.3478 0.5522-0.0000 ( 4850 PWs) bands (ev): -44.4811 -44.4811 -44.4794 -44.4794 -44.4657 -44.4657 -20.4081 -20.4080 -20.3692 -20.3688 -20.3643 -20.3638 -18.0119 -18.0096 -17.9876 -17.9804 -17.9086 -17.9049 -17.8987 -17.8976 -17.8436 -17.8374 -17.8342 -17.8316 5.0108 5.0119 5.6102 5.6218 5.8030 5.8100 7.8289 7.8387 7.8435 7.8575 9.0735 9.0746 9.1243 9.1277 10.0377 10.0429 10.0877 10.0945 11.8434 11.8441 13.1157 13.1343 13.1652 13.1740 13.5438 13.5673 13.6179 13.6293 13.7188 13.7280 13.7800 13.7846 13.8121 13.8480 14.1017 14.1039 15.5371 15.5694 15.6032 15.6439 15.7609 15.7630 17.2569 17.2630 17.5491 17.5566 17.6719 17.6813 18.0812 18.0921 18.2585 18.2668 18.5742 18.5838 18.9336 18.9694 k = 0.3406 0.5648-0.0000 ( 4850 PWs) bands (ev): -44.4806 -44.4806 -44.4798 -44.4798 -44.4657 -44.4657 -20.4081 -20.4080 -20.3682 -20.3680 -20.3653 -20.3646 -18.0114 -18.0102 -17.9876 -17.9804 -17.9076 -17.9056 -17.8986 -17.8981 -17.8432 -17.8371 -17.8339 -17.8325 5.0267 5.0273 5.6480 5.6620 5.7473 5.7533 7.8399 7.8487 7.8487 7.8638 9.0572 9.0578 9.1311 9.1328 10.0370 10.0414 10.0609 10.0672 11.8491 11.8494 13.1278 13.1470 13.1576 13.1661 13.5846 13.6042 13.6255 13.6386 13.6776 13.6976 13.7883 13.7935 13.8072 13.8498 14.1017 14.1030 15.5574 15.5840 15.5938 15.6355 15.7604 15.7615 17.2561 17.2592 17.5790 17.5824 17.6492 17.6626 18.1270 18.1354 18.2301 18.2407 18.5432 18.5477 18.9934 19.0271 k = 0.3333 0.5774-0.0000 ( 4854 PWs) bands (ev): -44.4803 -44.4803 -44.4803 -44.4803 -44.4657 -44.4657 -20.4080 -20.4080 -20.3676 -20.3676 -20.3658 -20.3651 -18.0109 -18.0109 -17.9876 -17.9804 -17.9066 -17.9066 -17.8984 -17.8984 -17.8431 -17.8369 -17.8333 -17.8333 5.0330 5.0330 5.6725 5.6940 5.7156 5.7156 7.8427 7.8515 7.8515 7.8667 9.0517 9.0517 9.1340 9.1340 10.0441 10.0451 10.0451 10.0535 11.8511 11.8511 13.1328 13.1541 13.1541 13.1607 13.6176 13.6176 13.6207 13.6508 13.6508 13.6765 13.7966 13.7966 13.8014 13.8501 14.1024 14.1024 15.5683 15.5883 15.5883 15.6315 15.7608 15.7608 17.2568 17.2568 17.5934 17.5934 17.6370 17.6541 18.1716 18.1716 18.1907 18.2080 18.5356 18.5356 19.0527 19.0886 k = 0.3333 0.5774-0.0000 ( 4854 PWs) bands (ev): -44.4803 -44.4803 -44.4803 -44.4803 -44.4657 -44.4657 -20.4080 -20.4080 -20.3676 -20.3676 -20.3658 -20.3651 -18.0109 -18.0109 -17.9876 -17.9804 -17.9066 -17.9066 -17.8984 -17.8984 -17.8431 -17.8369 -17.8333 -17.8333 5.0330 5.0330 5.6725 5.6940 5.7156 5.7156 7.8427 7.8515 7.8515 7.8667 9.0517 9.0517 9.1340 9.1340 10.0441 10.0451 10.0451 10.0535 11.8511 11.8511 13.1328 13.1541 13.1541 13.1607 13.6176 13.6176 13.6207 13.6508 13.6508 13.6765 13.7966 13.7966 13.8014 13.8501 14.1024 14.1024 15.5683 15.5883 15.5883 15.6315 15.7608 15.7608 17.2568 17.2568 17.5934 17.5934 17.6370 17.6541 18.1716 18.1716 18.1907 18.2080 18.5356 18.5356 19.0527 19.0886 k = 0.3261 0.5648-0.0000 ( 4846 PWs) bands (ev): -44.4806 -44.4806 -44.4798 -44.4798 -44.4657 -44.4657 -20.4081 -20.4080 -20.3682 -20.3680 -20.3652 -20.3646 -18.0114 -18.0102 -17.9876 -17.9804 -17.9077 -17.9055 -17.8987 -17.8980 -17.8432 -17.8371 -17.8339 -17.8324 5.0255 5.0262 5.6541 5.6696 5.7409 5.7483 7.8379 7.8474 7.8505 7.8650 9.0574 9.0580 9.1311 9.1331 10.0388 10.0416 10.0602 10.0655 11.8491 11.8494 13.1288 13.1486 13.1565 13.1647 13.5871 13.6001 13.6300 13.6448 13.6691 13.6979 13.7885 13.7931 13.8074 13.8499 14.1012 14.1029 15.5587 15.5795 15.5976 15.6348 15.7602 15.7613 17.2562 17.2594 17.5806 17.5844 17.6471 17.6611 18.1210 18.1264 18.2414 18.2501 18.5407 18.5446 18.9899 19.0206 k = 0.3188 0.5522-0.0000 ( 4842 PWs) bands (ev): -44.4810 -44.4810 -44.4794 -44.4794 -44.4656 -44.4656 -20.4081 -20.4079 -20.3692 -20.3690 -20.3641 -20.3637 -18.0120 -18.0095 -17.9876 -17.9804 -17.9088 -17.9046 -17.8989 -17.8975 -17.8434 -17.8377 -17.8341 -17.8314 5.0024 5.0035 5.6387 5.6533 5.7800 5.7897 7.8207 7.8317 7.8504 7.8635 9.0753 9.0762 9.1250 9.1291 10.0432 10.0452 10.0830 10.0877 11.8434 11.8442 13.1207 13.1406 13.1597 13.1679 13.5500 13.5696 13.6279 13.6377 13.7016 13.7264 13.7789 13.7841 13.8127 13.8488 14.0989 14.1029 15.5414 15.5626 15.6092 15.6405 15.7591 15.7611 17.2575 17.2640 17.5579 17.5657 17.6621 17.6732 18.0581 18.0631 18.3061 18.3112 18.5558 18.5632 18.9169 18.9469 k = 0.3116 0.5397-0.0000 ( 4848 PWs) bands (ev): -44.4815 -44.4815 -44.4789 -44.4789 -44.4657 -44.4657 -20.4081 -20.4079 -20.3704 -20.3701 -20.3629 -20.3626 -18.0125 -18.0087 -17.9877 -17.9804 -17.9101 -17.9037 -17.8991 -17.8967 -17.8438 -17.8387 -17.8341 -17.8302 4.9632 4.9645 5.6390 5.6536 5.8206 5.8315 7.7925 7.8043 7.8504 7.8628 9.1042 9.1046 9.1172 9.1244 10.0570 10.0579 10.1125 10.1170 11.8341 11.8352 13.1114 13.1323 13.1613 13.1687 13.5134 13.5365 13.6226 13.6305 13.7330 13.7396 13.7711 13.7795 13.8167 13.8461 14.0958 14.1025 15.5207 15.5413 15.6184 15.6451 15.7567 15.7596 17.2612 17.2708 17.5327 17.5437 17.6740 17.6835 17.9964 18.0000 18.3750 18.3762 18.5765 18.5871 18.8510 18.8795 k = 0.3043 0.5271-0.0000 ( 4848 PWs) bands (ev): -44.4820 -44.4820 -44.4785 -44.4785 -44.4657 -44.4657 -20.4082 -20.4079 -20.3715 -20.3712 -20.3616 -20.3614 -18.0130 -18.0079 -17.9878 -17.9804 -17.9113 -17.9029 -17.8994 -17.8958 -17.8443 -17.8399 -17.8340 -17.8289 4.9100 4.9114 5.6543 5.6691 5.8612 5.8729 7.7554 7.7677 7.8500 7.8620 9.1064 9.1127 9.1458 9.1495 10.0790 10.0791 10.1481 10.1525 11.8210 11.8227 13.1016 13.1237 13.1609 13.1675 13.4779 13.5033 13.6153 13.6222 13.7304 13.7553 13.7605 13.7914 13.8240 13.8413 14.0930 14.1028 15.4972 15.5166 15.6248 15.6474 15.7520 15.7559 17.2674 17.2800 17.5057 17.5193 17.6812 17.6898 17.9394 17.9415 18.4402 18.4441 18.6005 18.6138 18.7975 18.8230 k = 0.2971 0.5146-0.0000 ( 4856 PWs) bands (ev): -44.4824 -44.4824 -44.4781 -44.4781 -44.4657 -44.4657 -20.4082 -20.4078 -20.3728 -20.3724 -20.3603 -20.3602 -18.0135 -18.0070 -17.9880 -17.9804 -17.9126 -17.9022 -17.8998 -17.8947 -17.8447 -17.8412 -17.8338 -17.8276 4.8460 4.8473 5.6816 5.6967 5.9012 5.9137 7.7109 7.7238 7.8492 7.8609 9.0971 9.1059 9.1953 9.1989 10.1074 10.1084 10.1894 10.1936 11.8043 11.8064 13.0915 13.1149 13.1591 13.1648 13.4433 13.4701 13.6065 13.6129 13.7137 13.7373 13.7818 13.7945 13.8345 13.8377 14.0928 14.1061 15.4708 15.4889 15.6281 15.6470 15.7443 15.7492 17.2762 17.2914 17.4763 17.4918 17.6831 17.6912 17.8896 17.8903 18.4935 18.5054 18.6263 18.6420 18.7668 18.7858 k = 0.2899 0.5020-0.0000 ( 4856 PWs) bands (ev): -44.4828 -44.4828 -44.4776 -44.4776 -44.4658 -44.4658 -20.4083 -20.4078 -20.3740 -20.3736 -20.3589 -20.3589 -18.0139 -18.0060 -17.9881 -17.9804 -17.9139 -17.9015 -17.9002 -17.8934 -17.8451 -17.8425 -17.8337 -17.8263 4.7742 4.7753 5.7181 5.7336 5.9403 5.9533 7.6607 7.6742 7.8481 7.8595 9.0891 9.0996 9.2529 9.2568 10.1420 10.1438 10.2357 10.2400 11.7841 11.7867 13.0812 13.1059 13.1564 13.1614 13.4094 13.4370 13.5967 13.6029 13.6942 13.7174 13.7908 13.7946 13.8260 13.8488 14.0986 14.1147 15.4414 15.4582 15.6279 15.6436 15.7325 15.7385 17.2879 17.3050 17.4438 17.4603 17.6798 17.6875 17.8485 17.8488 18.5206 18.5420 18.6527 18.6711 18.7749 18.7847 k = 0.2826 0.4895-0.0000 ( 4856 PWs) bands (ev): -44.4833 -44.4833 -44.4772 -44.4772 -44.4658 -44.4658 -20.4083 -20.4078 -20.3752 -20.3749 -20.3576 -20.3575 -18.0143 -18.0051 -17.9882 -17.9803 -17.9151 -17.9009 -17.9008 -17.8919 -17.8456 -17.8439 -17.8335 -17.8249 4.6970 4.6980 5.7613 5.7773 5.9778 5.9915 7.6065 7.6207 7.8471 7.8582 9.0833 9.0955 9.3171 9.3212 10.1818 10.1843 10.2866 10.2909 11.7604 11.7635 13.0710 13.0969 13.1533 13.1577 13.3755 13.4034 13.5865 13.5927 13.6727 13.6954 13.7842 13.7974 13.8164 13.8504 14.1132 14.1305 15.4090 15.4243 15.6242 15.6371 15.7159 15.7231 17.3026 17.3200 17.4089 17.4244 17.6713 17.6790 17.8170 17.8178 18.5182 18.5441 18.6789 18.7000 18.8251 18.8292 k = 0.2754 0.4769-0.0000 ( 4856 PWs) bands (ev): -44.4838 -44.4838 -44.4768 -44.4768 -44.4658 -44.4658 -20.4083 -20.4077 -20.3765 -20.3761 -20.3562 -20.3561 -18.0146 -18.0040 -17.9884 -17.9802 -17.9163 -17.9014 -17.9004 -17.8904 -17.8459 -17.8453 -17.8334 -17.8236 4.6164 4.6172 5.8094 5.8261 6.0136 6.0276 7.5495 7.5646 7.8464 7.8572 9.0806 9.0943 9.3865 9.3909 10.2258 10.2289 10.3416 10.3460 11.7335 11.7372 13.0610 13.0879 13.1502 13.1543 13.3414 13.3691 13.5762 13.5824 13.6491 13.6708 13.7763 13.7899 13.8069 13.8416 14.1370 14.1540 15.3733 15.3869 15.6165 15.6271 15.6935 15.7021 17.3202 17.3311 17.3773 17.3846 17.6584 17.6663 17.7956 17.7964 18.5019 18.5270 18.7041 18.7271 18.9002 18.9032 k = 0.2681 0.4644-0.0000 ( 4856 PWs) bands (ev): -44.4842 -44.4842 -44.4764 -44.4764 -44.4658 -44.4658 -20.4083 -20.4076 -20.3778 -20.3773 -20.3548 -20.3547 -18.0149 -18.0029 -17.9885 -17.9800 -17.9175 -17.9021 -17.8999 -17.8889 -17.8467 -17.8463 -17.8333 -17.8223 4.5335 4.5342 5.8609 5.8785 6.0469 6.0613 7.4912 7.5073 7.8467 7.8572 9.0817 9.0966 9.4599 9.4646 10.2733 10.2768 10.4002 10.4047 11.7039 11.7080 13.0515 13.0791 13.1477 13.1517 13.3066 13.3337 13.5665 13.5725 13.6233 13.6432 13.7676 13.7746 13.7976 13.8247 14.1680 14.1839 15.3340 15.3458 15.6046 15.6133 15.6645 15.6747 17.3129 17.3368 17.3463 17.3755 17.6423 17.6507 17.7831 17.7838 18.4833 18.5048 18.7277 18.7522 18.9834 18.9839 k = 0.2609 0.4518-0.0000 ( 4864 PWs) bands (ev): -44.4848 -44.4848 -44.4759 -44.4759 -44.4658 -44.4658 -20.4083 -20.4076 -20.3790 -20.3786 -20.3535 -20.3532 -18.0152 -18.0019 -17.9886 -17.9798 -17.9187 -17.9029 -17.8995 -17.8873 -17.8481 -17.8466 -17.8332 -17.8209 4.4494 4.4500 5.9148 5.9334 6.0775 6.0922 7.4328 7.4500 7.8486 7.8587 9.0868 9.1029 9.5364 9.5413 10.3234 10.3273 10.4620 10.4667 11.6720 11.6767 13.0425 13.0708 13.1460 13.1499 13.2711 13.2971 13.5574 13.5628 13.5950 13.6119 13.7551 13.7584 13.7881 13.8035 14.2035 14.2183 15.2908 15.3008 15.5882 15.5953 15.6285 15.6406 17.2749 17.2986 17.3654 17.3958 17.6248 17.6336 17.7780 17.7783 18.4659 18.4824 18.7489 18.7746 18.9757 18.9963 k = 0.2536 0.4393-0.0000 ( 4858 PWs) bands (ev): -44.4851 -44.4851 -44.4755 -44.4755 -44.4658 -44.4658 -20.4083 -20.4075 -20.3803 -20.3798 -20.3520 -20.3517 -18.0154 -18.0008 -17.9887 -17.9796 -17.9198 -17.9038 -17.8990 -17.8856 -17.8495 -17.8467 -17.8332 -17.8196 4.3647 4.3652 5.9699 5.9898 6.1049 6.1197 7.3753 7.3939 7.8527 7.8624 9.0963 9.1134 9.6147 9.6199 10.3756 10.3798 10.5265 10.5315 11.6384 11.6437 13.0343 13.0631 13.1451 13.1490 13.2347 13.2595 13.5491 13.5517 13.5652 13.5765 13.7338 13.7474 13.7787 13.7822 14.2415 14.2553 15.2435 15.2514 15.5671 15.5719 15.5848 15.6002 17.2353 17.2572 17.3919 17.4214 17.6074 17.6168 17.7785 17.7787 18.4493 18.4599 18.7669 18.7938 18.9196 18.9338 k = 0.2464 0.4267-0.0000 ( 4854 PWs) bands (ev): -44.4855 -44.4855 -44.4751 -44.4751 -44.4657 -44.4657 -20.4082 -20.4074 -20.3815 -20.3810 -20.3506 -20.3502 -18.0155 -17.9997 -17.9887 -17.9792 -17.9209 -17.9047 -17.8986 -17.8841 -17.8508 -17.8469 -17.8331 -17.8183 4.2800 4.2804 6.0251 6.0466 6.1287 6.1435 7.3201 7.3402 7.8597 7.8690 9.1102 9.1282 9.6940 9.6994 10.4292 10.4336 10.5934 10.5986 11.6040 11.6098 13.0269 13.0560 13.1447 13.1486 13.1983 13.2213 13.5249 13.5351 13.5433 13.5481 13.7125 13.7321 13.7662 13.7702 14.2800 14.2931 15.1918 15.1976 15.5327 15.5375 15.5422 15.5590 17.1978 17.2188 17.4210 17.4499 17.5921 17.6018 17.7834 17.7840 18.4317 18.4358 18.7812 18.8094 18.8739 18.8798 k = 0.2391 0.4142-0.0000 ( 4854 PWs) bands (ev): -44.4860 -44.4860 -44.4746 -44.4746 -44.4657 -44.4657 -20.4082 -20.4073 -20.3827 -20.3823 -20.3492 -20.3487 -18.0156 -17.9986 -17.9888 -17.9788 -17.9219 -17.9058 -17.8982 -17.8825 -17.8520 -17.8470 -17.8331 -17.8171 4.1957 4.1960 6.0790 6.1024 6.1488 6.1633 7.2685 7.2903 7.8704 7.8792 9.1286 9.1474 9.7731 9.7788 10.4836 10.4882 10.6622 10.6678 11.5698 11.5762 13.0201 13.0491 13.1443 13.1453 13.1657 13.1835 13.4869 13.4928 13.5352 13.5386 13.6919 13.7122 13.7575 13.7628 14.3177 14.3305 15.1354 15.1389 15.4736 15.4842 15.5122 15.5250 17.1642 17.1849 17.4525 17.4804 17.5803 17.5903 17.7919 17.7929 18.4093 18.4112 18.7909 18.8212 18.8410 18.8423 k = 0.2319 0.4016-0.0000 ( 4848 PWs) bands (ev): -44.4863 -44.4863 -44.4742 -44.4742 -44.4657 -44.4657 -20.4082 -20.4073 -20.3839 -20.3835 -20.3477 -20.3472 -18.0157 -17.9975 -17.9888 -17.9783 -17.9229 -17.9069 -17.8979 -17.8811 -17.8531 -17.8470 -17.8331 -17.8159 4.1121 4.1124 6.1290 6.1546 6.1661 6.1801 7.2221 7.2458 7.8852 7.8935 9.1513 9.1708 9.8508 9.8568 10.5383 10.5430 10.7326 10.7385 11.5368 11.5438 13.0136 13.0410 13.1218 13.1366 13.1539 13.1558 13.4455 13.4468 13.5281 13.5294 13.6725 13.6909 13.7539 13.7570 14.3530 14.3658 15.0742 15.0754 15.4065 15.4193 15.4788 15.4918 17.1359 17.1567 17.4860 17.5123 17.5733 17.5831 17.8034 17.8046 18.3806 18.3870 18.7945 18.8200 18.8243 18.8299 k = 0.2246 0.3891-0.0000 ( 4860 PWs) bands (ev): -44.4869 -44.4869 -44.4738 -44.4738 -44.4658 -44.4658 -20.4082 -20.4072 -20.3852 -20.3847 -20.3463 -20.3457 -18.0158 -17.9965 -17.9887 -17.9778 -17.9239 -17.9081 -17.8977 -17.8798 -17.8541 -17.8470 -17.8331 -17.8147 4.0296 4.0298 6.1639 6.1844 6.1899 6.2107 7.1828 7.2085 7.9048 7.9125 9.1783 9.1984 9.9259 9.9322 10.5928 10.5976 10.8040 10.8104 11.5064 11.5140 13.0058 13.0279 13.0949 13.1066 13.1488 13.1555 13.3991 13.4019 13.5194 13.5204 13.6542 13.6704 13.7532 13.7538 14.3845 14.3977 15.0068 15.0080 15.3324 15.3463 15.4432 15.4574 17.1138 17.1350 17.5208 17.5438 17.5734 17.5813 17.8173 17.8187 18.3511 18.3601 18.7930 18.8148 18.8185 18.8356 k = 0.2174 0.3765-0.0000 ( 4866 PWs) bands (ev): -44.4874 -44.4874 -44.4734 -44.4734 -44.4658 -44.4658 -20.4081 -20.4071 -20.3863 -20.3859 -20.3448 -20.3443 -18.0157 -17.9955 -17.9886 -17.9771 -17.9249 -17.9094 -17.8976 -17.8787 -17.8548 -17.8470 -17.8332 -17.8136 3.9483 3.9485 6.1748 6.1916 6.2269 6.2529 7.1530 7.1806 7.9295 7.9365 9.2094 9.2300 9.9969 10.0035 10.6465 10.6513 10.8761 10.8830 11.4802 11.4884 12.9935 13.0043 13.0786 13.0795 13.1469 13.1550 13.3509 13.3573 13.5083 13.5116 13.6369 13.6513 13.7519 13.7569 14.4105 14.4244 14.9333 14.9368 15.2517 15.2663 15.4069 15.4231 17.0985 17.1206 17.5559 17.5651 17.5861 17.5902 17.8331 17.8347 18.3229 18.3327 18.7950 18.8150 18.8213 18.8403 k = 0.2101 0.3640-0.0000 ( 4854 PWs) bands (ev): -44.4878 -44.4878 -44.4729 -44.4729 -44.4657 -44.4657 -20.4080 -20.4070 -20.3875 -20.3870 -20.3434 -20.3428 -18.0156 -17.9945 -17.9884 -17.9763 -17.9258 -17.9107 -17.8975 -17.8779 -17.8552 -17.8469 -17.8332 -17.8125 3.8684 3.8686 6.1771 6.1926 6.2597 6.2877 7.1354 7.1644 7.9596 7.9659 9.2445 9.2654 10.0620 10.0689 10.6990 10.7038 10.9485 10.9559 11.4597 11.4687 12.9721 12.9725 13.0612 13.0752 13.1431 13.1522 13.3039 13.3132 13.4957 13.5011 13.6207 13.6338 13.7532 13.7628 14.4294 14.4440 14.8549 14.8608 15.1653 15.1801 15.3722 15.3907 17.0904 17.1136 17.5773 17.5846 17.6036 17.6228 17.8507 17.8523 18.2979 18.3074 18.8023 18.8172 18.8288 18.8467 k = 0.2029 0.3514-0.0000 ( 4856 PWs) bands (ev): -44.4883 -44.4883 -44.4725 -44.4725 -44.4657 -44.4657 -20.4080 -20.4069 -20.3886 -20.3882 -20.3419 -20.3413 -18.0155 -17.9936 -17.9883 -17.9755 -17.9266 -17.9121 -17.8975 -17.8773 -17.8554 -17.8467 -17.8332 -17.8115 3.7902 3.7903 6.1742 6.1889 6.2828 6.3117 7.1325 7.1622 7.9952 8.0007 9.2834 9.3047 10.1197 10.1268 10.7497 10.7544 11.0205 11.0287 11.4470 11.4566 12.9365 12.9433 13.0545 13.0770 13.1356 13.1450 13.2599 13.2711 13.4815 13.4884 13.6055 13.6180 13.7574 13.7715 14.4391 14.4545 14.7720 14.7803 15.0740 15.0887 15.3419 15.3628 17.0897 17.1143 17.5924 17.6030 17.6376 17.6585 17.8698 17.8714 18.2778 18.2860 18.8102 18.8246 18.8361 18.8587 k = 0.1957 0.3389-0.0000 ( 4856 PWs) bands (ev): -44.4887 -44.4887 -44.4721 -44.4721 -44.4657 -44.4657 -20.4079 -20.4068 -20.3897 -20.3893 -20.3405 -20.3398 -18.0153 -17.9928 -17.9880 -17.9746 -17.9275 -17.9134 -17.8977 -17.8770 -17.8551 -17.8465 -17.8332 -17.8105 3.7137 3.7138 6.1669 6.1809 6.2945 6.3232 7.1458 7.1752 8.0362 8.0409 9.3259 9.3474 10.1681 10.1755 10.7981 10.8028 11.0919 11.1007 11.4435 11.4539 12.9004 12.9102 13.0542 13.0826 13.1230 13.1304 13.2218 13.2324 13.4656 13.4733 13.5914 13.6039 13.7643 13.7828 14.4383 14.4541 14.6849 14.6957 14.9788 14.9930 15.3186 15.3417 17.0963 17.1225 17.6123 17.6231 17.6754 17.6951 17.8905 17.8920 18.2636 18.2703 18.8153 18.8396 18.8427 18.8762 k = 0.1884 0.3263-0.0000 ( 4852 PWs) bands (ev): -44.4892 -44.4892 -44.4717 -44.4717 -44.4656 -44.4656 -20.4078 -20.4067 -20.3908 -20.3904 -20.3391 -20.3384 -18.0150 -17.9919 -17.9877 -17.9736 -17.9283 -17.9148 -17.8980 -17.8770 -17.8546 -17.8463 -17.8332 -17.8095 3.6391 3.6392 6.1557 6.1690 6.2945 6.3220 7.1755 7.2037 8.0826 8.0865 9.3719 9.3937 10.2060 10.2134 10.8438 10.8484 11.1619 11.1716 11.4508 11.4619 12.8650 12.8762 13.0563 13.0908 13.1053 13.1062 13.1913 13.1979 13.4479 13.4558 13.5784 13.5917 13.7737 13.7963 14.4259 14.4414 14.5943 14.6082 14.8804 14.8939 15.3047 15.3296 17.1101 17.1379 17.6371 17.6475 17.7141 17.7321 17.9126 17.9140 18.2560 18.2610 18.8213 18.8511 18.8578 18.8964 k = 0.1812 0.3138-0.0000 ( 4852 PWs) bands (ev): -44.4897 -44.4897 -44.4713 -44.4713 -44.4655 -44.4655 -20.4077 -20.4066 -20.3919 -20.3914 -20.3377 -20.3370 -18.0147 -17.9911 -17.9873 -17.9727 -17.9290 -17.9162 -17.8984 -17.8773 -17.8538 -17.8461 -17.8332 -17.8086 3.5665 3.5666 6.1410 6.1537 6.2840 6.3096 7.2204 7.2467 8.1340 8.1371 9.4212 9.4432 10.2324 10.2398 10.8863 10.8909 11.2300 11.2406 11.4694 11.4812 12.8311 12.8430 13.0537 13.0745 13.0888 13.1009 13.1659 13.1666 13.4286 13.4356 13.5668 13.5813 13.7853 13.8116 14.4021 14.4156 14.5010 14.5193 14.7798 14.7923 15.3014 15.3274 17.1306 17.1601 17.6665 17.6761 17.7533 17.7694 17.9362 17.9374 18.2553 18.2589 18.8298 18.8627 18.8770 18.9175 k = 0.1739 0.3012-0.0000 ( 4858 PWs) bands (ev): -44.4902 -44.4902 -44.4709 -44.4709 -44.4655 -44.4655 -20.4076 -20.4065 -20.3929 -20.3925 -20.3363 -20.3356 -18.0144 -17.9903 -17.9870 -17.9717 -17.9298 -17.9176 -17.8991 -17.8777 -17.8528 -17.8458 -17.8331 -17.8078 3.4961 3.4962 6.1234 6.1353 6.2647 6.2880 7.2782 7.3022 8.1902 8.1925 9.4737 9.4959 10.2472 10.2546 10.9252 10.9297 11.2957 11.3072 11.4993 11.5116 12.7990 12.8113 13.0359 13.0406 13.0856 13.1114 13.1357 13.1410 13.4078 13.4132 13.5567 13.5729 13.7985 13.8283 14.3674 14.3743 14.4071 14.4342 14.6778 14.6893 15.3086 15.3352 17.1574 17.1886 17.7003 17.7088 17.7930 17.8072 17.9614 17.9623 18.2617 18.2640 18.8415 18.8780 18.8957 18.9379 k = 0.1667 0.2887-0.0000 ( 4842 PWs) bands (ev): -44.4905 -44.4905 -44.4703 -44.4703 -44.4655 -44.4655 -20.4075 -20.4064 -20.3938 -20.3934 -20.3349 -20.3342 -18.0139 -17.9896 -17.9865 -17.9707 -17.9304 -17.9188 -17.8998 -17.8782 -17.8516 -17.8455 -17.8329 -17.8070 3.4279 3.4280 6.1033 6.1146 6.2389 6.2598 7.3465 7.3683 8.2510 8.2525 9.5293 9.5516 10.2513 10.2584 10.9602 10.9646 11.3586 11.3709 11.5391 11.5519 12.7691 12.7814 13.0078 13.0105 13.0856 13.1061 13.1065 13.1279 13.3857 13.3886 13.5481 13.5663 13.8123 13.8456 14.3049 14.3081 14.3329 14.3664 14.5753 14.5858 15.3253 15.3518 17.1900 17.2227 17.7381 17.7453 17.8336 17.8455 17.9885 17.9888 18.2750 18.2765 18.8563 18.8974 18.9134 18.9566 k = 0.1594 0.2761-0.0000 ( 4842 PWs) bands (ev): -44.4909 -44.4909 -44.4700 -44.4700 -44.4655 -44.4655 -20.4074 -20.4063 -20.3948 -20.3944 -20.3336 -20.3328 -18.0135 -17.9888 -17.9860 -17.9697 -17.9311 -17.9200 -17.9007 -17.8789 -17.8504 -17.8452 -17.8327 -17.8063 3.3621 3.3621 6.0813 6.0918 6.2083 6.2271 7.4233 7.4430 8.3159 8.3166 9.5878 9.6102 10.2459 10.2527 10.9910 10.9953 11.4181 11.4310 11.5866 11.5997 12.7415 12.7537 12.9782 12.9859 13.0562 13.0723 13.1022 13.1363 13.3628 13.3630 13.5412 13.5614 13.8251 13.8617 14.2130 14.2246 14.2850 14.3135 14.4734 14.4834 15.3497 15.3759 17.2278 17.2618 17.7796 17.7854 17.8753 17.8848 18.0170 18.0176 18.2953 18.2963 18.8731 18.9209 18.9301 18.9724 k = 0.1522 0.2636-0.0000 ( 4836 PWs) bands (ev): -44.4913 -44.4913 -44.4695 -44.4695 -44.4654 -44.4654 -20.4073 -20.4062 -20.3957 -20.3953 -20.3323 -20.3315 -18.0129 -17.9881 -17.9854 -17.9688 -17.9317 -17.9211 -17.9018 -17.8795 -17.8491 -17.8449 -17.8323 -17.8057 3.2986 3.2987 6.0577 6.0675 6.1747 6.1915 7.5070 7.5247 8.3846 8.3847 9.6492 9.6717 10.2327 10.2392 11.0172 11.0214 11.4738 11.4871 11.6391 11.6522 12.7162 12.7282 12.9524 12.9649 13.0116 13.0313 13.1044 13.1422 13.3374 13.3407 13.5358 13.5579 13.8334 13.8734 14.1245 14.1419 14.2363 14.2644 14.3732 14.3841 15.3801 15.4056 17.2701 17.3052 17.8246 17.8287 17.9188 17.9252 18.0470 18.0491 18.3222 18.3229 18.8897 18.9472 18.9481 18.9841 k = 0.1449 0.2510-0.0000 ( 4836 PWs) bands (ev): -44.4917 -44.4917 -44.4691 -44.4691 -44.4654 -44.4654 -20.4072 -20.4062 -20.3966 -20.3962 -20.3310 -20.3303 -18.0123 -17.9873 -17.9849 -17.9681 -17.9323 -17.9221 -17.9031 -17.8802 -17.8479 -17.8445 -17.8319 -17.8051 3.2377 3.2377 6.0329 6.0422 6.1393 6.1543 7.5961 7.6121 8.4563 8.4569 9.7133 9.7359 10.2133 10.2195 11.0387 11.0429 11.5252 11.5386 11.6935 11.7064 12.6931 12.7046 12.9291 12.9480 12.9621 12.9876 13.1013 13.1394 13.3157 13.3206 13.5317 13.5555 13.8302 13.8716 14.0495 14.0710 14.1858 14.2176 14.2767 14.2923 15.4148 15.4394 17.3165 17.3523 17.8729 17.8752 17.9645 17.9672 18.0791 18.0832 18.3554 18.3562 18.9023 18.9677 18.9778 18.9920 k = 0.1377 0.2385-0.0000 ( 4838 PWs) bands (ev): -44.4920 -44.4920 -44.4689 -44.4689 -44.4654 -44.4654 -20.4071 -20.4061 -20.3974 -20.3971 -20.3298 -20.3290 -18.0116 -17.9866 -17.9843 -17.9675 -17.9330 -17.9229 -17.9045 -17.8810 -17.8467 -17.8442 -17.8313 -17.8046 3.1793 3.1793 6.0075 6.0161 6.1031 6.1165 7.6898 7.7043 8.5312 8.5324 9.7800 9.8026 10.1894 10.1954 11.0554 11.0597 11.5715 11.5847 11.7462 11.7588 12.6720 12.6828 12.8990 12.9037 12.9422 12.9529 13.0885 13.1224 13.3016 13.3045 13.5287 13.5539 13.8048 13.8402 14.0021 14.0220 14.1305 14.1741 14.1877 14.2174 15.4522 15.4758 17.3664 17.4026 17.9243 17.9246 18.0109 18.0128 18.1135 18.1205 18.3946 18.3956 18.9085 18.9902 18.9938 19.0148 k = 0.1304 0.2259-0.0000 ( 4838 PWs) bands (ev): -44.4924 -44.4924 -44.4685 -44.4685 -44.4654 -44.4654 -20.4070 -20.4060 -20.3983 -20.3979 -20.3286 -20.3278 -18.0109 -17.9858 -17.9837 -17.9670 -17.9336 -17.9234 -17.9061 -17.8817 -17.8457 -17.8438 -17.8306 -17.8041 3.1235 3.1235 5.9817 5.9897 6.0667 6.0788 7.7873 7.8005 8.6090 8.6109 9.8493 9.8719 10.1625 10.1682 11.0673 11.0716 11.6122 11.6246 11.7935 11.8054 12.6524 12.6620 12.8471 12.8530 12.9398 12.9406 13.0635 13.0889 13.2927 13.2953 13.5265 13.5527 13.7550 13.7801 13.9724 13.9896 14.0730 14.1148 14.1367 14.1700 15.4910 15.5135 17.4195 17.4556 17.9768 17.9785 18.0564 18.0640 18.1507 18.1614 18.4394 18.4408 18.9088 18.9870 19.0252 19.0507 k = 0.1232 0.2134-0.0000 ( 4838 PWs) bands (ev): -44.4927 -44.4927 -44.4682 -44.4682 -44.4654 -44.4654 -20.4069 -20.4060 -20.3990 -20.3987 -20.3274 -20.3267 -18.0101 -17.9850 -17.9830 -17.9668 -17.9343 -17.9237 -17.9077 -17.8825 -17.8447 -17.8434 -17.8297 -17.8038 3.0704 3.0705 5.9558 5.9632 6.0308 6.0416 7.8881 7.9001 8.6896 8.6920 9.9208 9.9436 10.1336 10.1392 11.0744 11.0787 11.6465 11.6579 11.8308 11.8417 12.6336 12.6416 12.7926 12.8020 12.9418 12.9471 13.0264 13.0412 13.2825 13.2917 13.5251 13.5516 13.6940 13.7122 13.9241 13.9446 14.0333 14.0746 14.1092 14.1496 15.5300 15.5514 17.4754 17.5111 18.0316 18.0356 18.1036 18.1178 18.1912 18.2065 18.4893 18.4913 18.9054 18.9793 19.0604 19.0890 k = 0.1159 0.2008-0.0000 ( 4836 PWs) bands (ev): -44.4931 -44.4931 -44.4679 -44.4679 -44.4654 -44.4654 -20.4068 -20.4059 -20.3998 -20.3994 -20.3263 -20.3256 -18.0092 -17.9842 -17.9823 -17.9667 -17.9349 -17.9238 -17.9094 -17.8833 -17.8440 -17.8431 -17.8287 -17.8034 3.0201 3.0201 5.9302 5.9371 5.9957 6.0054 7.9917 8.0025 8.7726 8.7755 9.9945 10.0173 10.1040 10.1096 11.0767 11.0811 11.6742 11.6838 11.8534 11.8624 12.6147 12.6201 12.7455 12.7559 12.9539 12.9606 12.9802 12.9831 13.2688 13.2838 13.5244 13.5503 13.6354 13.6504 13.8570 13.8811 14.0086 14.0510 14.1046 14.1508 15.5683 15.5884 17.5341 17.5689 18.0889 18.0952 18.1523 18.1732 18.2364 18.2563 18.5439 18.5464 18.9006 18.9695 19.0979 19.1287 k = 0.1087 0.1883-0.0000 ( 4832 PWs) bands (ev): -44.4933 -44.4933 -44.4675 -44.4675 -44.4654 -44.4654 -20.4067 -20.4058 -20.4004 -20.4001 -20.3252 -20.3245 -18.0083 -17.9834 -17.9816 -17.9669 -17.9355 -17.9236 -17.9112 -17.8841 -17.8433 -17.8428 -17.8276 -17.8032 2.9726 2.9726 5.9051 5.9114 5.9619 5.9706 8.0976 8.1074 8.8579 8.8612 10.0653 10.0760 10.0793 10.0969 11.0743 11.0789 11.6948 11.7017 11.8568 11.8627 12.5941 12.5961 12.7112 12.7212 12.9174 12.9228 12.9747 12.9854 13.2460 13.2644 13.5242 13.5484 13.5892 13.6028 13.7879 13.8149 13.9867 14.0266 14.1201 14.1660 15.6048 15.6237 17.5955 17.6291 18.1484 18.1572 18.2025 18.2285 18.2882 18.3109 18.6028 18.6057 18.8964 18.9594 19.1370 19.1691 k = 0.1014 0.1757-0.0000 ( 4839 PWs) bands (ev): -44.4937 -44.4937 -44.4673 -44.4673 -44.4655 -44.4655 -20.4066 -20.4058 -20.4011 -20.4008 -20.3242 -20.3236 -18.0073 -17.9826 -17.9810 -17.9673 -17.9362 -17.9231 -17.9131 -17.8850 -17.8427 -17.8425 -17.8264 -17.8030 2.9279 2.9279 5.8808 5.8865 5.9294 5.9373 8.2054 8.2144 8.9451 8.9488 10.0439 10.0493 10.1494 10.1725 11.0674 11.0723 11.7076 11.7097 11.8396 11.8404 12.5674 12.5702 12.6933 12.7020 12.8473 12.8624 13.0025 13.0148 13.2110 13.2301 13.5243 13.5442 13.5609 13.5744 13.7237 13.7529 13.9662 14.0037 14.1440 14.1885 15.6389 15.6565 17.6596 17.6919 18.2097 18.2213 18.2541 18.2824 18.3477 18.3702 18.6654 18.6683 18.8950 18.9512 19.1768 19.2097 k = 0.0942 0.1632-0.0000 ( 4835 PWs) bands (ev): -44.4939 -44.4939 -44.4671 -44.4671 -44.4655 -44.4655 -20.4065 -20.4057 -20.4017 -20.4014 -20.3232 -20.3226 -18.0062 -17.9818 -17.9802 -17.9679 -17.9367 -17.9225 -17.9149 -17.8859 -17.8422 -17.8421 -17.8250 -17.8029 2.8861 2.8861 5.8573 5.8626 5.8987 5.9058 8.3149 8.3230 9.0339 9.0380 10.0161 10.0215 10.2287 10.2522 11.0562 11.0613 11.7013 11.7081 11.8002 11.8088 12.5321 12.5403 12.6924 12.6983 12.7756 12.7981 13.0360 13.0503 13.1664 13.1839 13.5239 13.5380 13.5503 13.5640 13.6663 13.6969 13.9478 13.9834 14.1716 14.2145 15.6699 15.6862 17.7265 17.7574 18.2724 18.2869 18.3076 18.3354 18.4139 18.4337 18.7310 18.7329 18.8984 18.9465 19.2164 19.2497 k = 0.0870 0.1506-0.0000 ( 4831 PWs) bands (ev): -44.4942 -44.4942 -44.4668 -44.4668 -44.4654 -44.4654 -20.4064 -20.4057 -20.4023 -20.4020 -20.3223 -20.3217 -18.0051 -17.9810 -17.9795 -17.9687 -17.9372 -17.9216 -17.9168 -17.8869 -17.8418 -17.8418 -17.8236 -17.8029 2.8473 2.8473 5.8350 5.8398 5.8698 5.8761 8.4255 8.4328 9.1242 9.1286 9.9900 9.9955 10.3095 10.3333 11.0408 11.0463 11.6615 11.6769 11.7657 11.7831 12.4890 12.5025 12.6872 12.7044 12.7246 12.7316 13.0725 13.0900 13.1191 13.1343 13.5234 13.5337 13.5519 13.5624 13.6170 13.6471 13.9318 13.9658 14.2008 14.2420 15.6974 15.7123 17.7962 17.8258 18.3359 18.3531 18.3638 18.3892 18.4846 18.5005 18.7970 18.7985 18.9103 18.9472 19.2553 19.2886 k = 0.0797 0.1381-0.0000 ( 4831 PWs) bands (ev): -44.4944 -44.4944 -44.4666 -44.4666 -44.4654 -44.4654 -20.4063 -20.4056 -20.4028 -20.4025 -20.3215 -20.3209 -18.0039 -17.9802 -17.9789 -17.9697 -17.9377 -17.9205 -17.9187 -17.8880 -17.8415 -17.8415 -17.8222 -17.8029 2.8114 2.8114 5.8140 5.8184 5.8428 5.8485 8.5367 8.5432 9.2156 9.2203 9.9662 9.9719 10.3909 10.4153 11.0217 11.0278 11.5878 11.6024 11.7540 11.7705 12.4385 12.4557 12.6185 12.6565 12.7306 12.7403 13.0759 13.0806 13.1182 13.1322 13.5235 13.5285 13.5596 13.5622 13.5810 13.6037 13.9184 13.9507 14.2304 14.2697 15.7211 15.7346 17.8686 17.8971 18.3993 18.4171 18.4251 18.4450 18.5578 18.5696 18.8533 18.8653 18.9380 18.9560 19.2926 19.3256 k = 0.0725 0.1255-0.0000 ( 4839 PWs) bands (ev): -44.4946 -44.4946 -44.4665 -44.4665 -44.4655 -44.4655 -20.4062 -20.4056 -20.4033 -20.4030 -20.3207 -20.3202 -18.0026 -17.9795 -17.9782 -17.9708 -17.9381 -17.9206 -17.9194 -17.8891 -17.8413 -17.8412 -17.8208 -17.8031 2.7785 2.7785 5.7944 5.7983 5.8179 5.8229 8.6479 8.6536 9.3079 9.3128 9.9454 9.9513 10.4720 10.4971 10.9998 11.0065 11.4935 11.5059 11.7493 11.7631 12.3824 12.4012 12.5408 12.5783 12.7601 12.7692 13.0413 13.0436 13.1554 13.1747 13.5098 13.5217 13.5547 13.5683 13.5708 13.5763 13.9073 13.9380 14.2597 14.2967 15.7409 15.7530 17.9436 17.9710 18.4618 18.4786 18.4912 18.5034 18.6317 18.6398 18.8936 18.9209 18.9832 18.9899 19.3276 19.3601 k = 0.0652 0.1130-0.0000 ( 4851 PWs) bands (ev): -44.4948 -44.4948 -44.4663 -44.4663 -44.4656 -44.4656 -20.4062 -20.4056 -20.4038 -20.4035 -20.3200 -20.3195 -18.0014 -17.9788 -17.9776 -17.9721 -17.9384 -17.9224 -17.9181 -17.8903 -17.8410 -17.8410 -17.8194 -17.8033 2.7487 2.7487 5.7764 5.7798 5.7952 5.7996 8.7584 8.7633 9.4006 9.4057 9.9282 9.9345 10.5504 10.5765 10.9769 10.9845 11.3874 11.3982 11.7452 11.7569 12.3236 12.3421 12.4580 12.4932 12.7930 12.8021 13.0146 13.0168 13.1927 13.2153 13.4799 13.5074 13.5535 13.5549 13.5817 13.5835 13.8985 13.9274 14.2880 14.3224 15.7569 15.7677 18.0206 18.0473 18.5227 18.5412 18.5577 18.5646 18.7043 18.7096 18.9254 18.9527 19.0405 19.0580 19.3593 19.3912 k = 0.0580 0.1004-0.0000 ( 4847 PWs) bands (ev): -44.4950 -44.4950 -44.4661 -44.4661 -44.4656 -44.4656 -20.4061 -20.4056 -20.4041 -20.4039 -20.3193 -20.3189 -18.0000 -17.9782 -17.9769 -17.9734 -17.9386 -17.9242 -17.9166 -17.8916 -17.8408 -17.8408 -17.8180 -17.8036 2.7219 2.7219 5.7600 5.7630 5.7747 5.7786 8.8669 8.8710 9.4932 9.4985 9.9156 9.9223 10.6216 10.6485 10.9578 10.9663 11.2744 11.2842 11.7408 11.7506 12.2650 12.2821 12.3702 12.4021 12.8268 12.8362 12.9953 13.0013 13.2264 13.2519 13.4499 13.4806 13.5567 13.5602 13.5928 13.5933 13.8919 13.9187 14.3147 14.3463 15.7694 15.7789 18.0991 18.1254 18.5813 18.6046 18.6239 18.6285 18.7737 18.7773 18.9570 18.9757 19.1112 19.1324 19.3869 19.4183 k = 0.0507 0.0879-0.0000 ( 4831 PWs) bands (ev): -44.4951 -44.4951 -44.4659 -44.4659 -44.4654 -44.4654 -20.4059 -20.4055 -20.4044 -20.4042 -20.3187 -20.3184 -17.9985 -17.9778 -17.9763 -17.9745 -17.9387 -17.9260 -17.9150 -17.8929 -17.8406 -17.8406 -17.8167 -17.8039 2.6982 2.6982 5.7453 5.7480 5.7566 5.7599 8.9721 8.9752 9.5853 9.5906 9.9086 9.9157 10.6751 10.7012 10.9544 10.9619 11.1576 11.1667 11.7360 11.7443 12.2092 12.2243 12.2778 12.3065 12.8600 12.8696 12.9843 12.9929 13.2550 13.2825 13.4224 13.4525 13.5669 13.5689 13.6024 13.6043 13.8874 13.9117 14.3395 14.3680 15.7787 15.7870 18.1783 18.2043 18.6371 18.6662 18.6906 18.6944 18.8378 18.8410 18.9902 18.9980 19.1839 19.2085 19.4100 19.4417 k = 0.0435 0.0753-0.0000 ( 4819 PWs) bands (ev): -44.4952 -44.4952 -44.4657 -44.4657 -44.4653 -44.4653 -20.4058 -20.4055 -20.4047 -20.4045 -20.3182 -20.3179 -17.9970 -17.9780 -17.9758 -17.9751 -17.9386 -17.9276 -17.9134 -17.8942 -17.8404 -17.8404 -17.8153 -17.8043 2.6776 2.6776 5.7325 5.7347 5.7407 5.7435 9.0717 9.0740 9.6759 9.6812 9.9087 9.9163 10.6965 10.7177 10.9829 10.9859 11.0400 11.0483 11.7311 11.7382 12.1579 12.1704 12.1828 12.2083 12.8912 12.9010 12.9795 12.9898 13.2780 13.3062 13.3982 13.4262 13.5803 13.5805 13.6117 13.6143 13.8847 13.9064 14.3621 14.3870 15.7853 15.7924 18.2572 18.2830 18.6897 18.7236 18.7584 18.7611 18.8943 18.8983 19.0195 19.0228 19.2545 19.2831 19.4293 19.4638 k = 0.0362 0.0628-0.0000 ( 4807 PWs) bands (ev): -44.4952 -44.4952 -44.4655 -44.4655 -44.4652 -44.4652 -20.4057 -20.4054 -20.4049 -20.4047 -20.3177 -20.3175 -17.9954 -17.9791 -17.9753 -17.9751 -17.9385 -17.9292 -17.9118 -17.8956 -17.8402 -17.8402 -17.8140 -17.8048 2.6602 2.6602 5.7216 5.7234 5.7273 5.7296 9.1630 9.1644 9.7642 9.7693 9.9175 9.9255 10.6836 10.6987 10.9214 10.9303 11.0413 11.0452 11.7265 11.7324 12.0847 12.1056 12.1160 12.1243 12.9197 12.9291 12.9791 12.9899 13.2955 13.3226 13.3773 13.4024 13.5939 13.5949 13.6202 13.6232 13.8837 13.9024 14.3820 14.4032 15.7898 15.7956 18.3347 18.3601 18.7389 18.7755 18.8243 18.8253 18.9424 18.9477 19.0387 19.0514 19.3190 19.3518 19.4464 19.4856 k = 0.0290 0.0502-0.0000 ( 4803 PWs) bands (ev): -44.4953 -44.4953 -44.4654 -44.4654 -44.4652 -44.4652 -20.4056 -20.4054 -20.4051 -20.4049 -20.3173 -20.3171 -17.9939 -17.9806 -17.9749 -17.9748 -17.9382 -17.9307 -17.9101 -17.8971 -17.8401 -17.8401 -17.8128 -17.8054 2.6459 2.6459 5.7126 5.7140 5.7163 5.7182 9.2426 9.2431 9.8482 9.8529 9.9370 9.9451 10.6494 10.6604 10.8081 10.8165 11.1146 11.1223 11.7223 11.7272 11.9880 12.0088 12.0762 12.0844 12.9445 12.9531 12.9816 12.9918 13.3084 13.3327 13.3602 13.3816 13.6077 13.6091 13.6275 13.6306 13.8841 13.8996 14.3991 14.4163 15.7926 15.7973 18.4094 18.4338 18.7843 18.8215 18.8794 18.8806 18.9845 18.9903 19.0543 19.0727 19.3730 19.4067 19.4592 19.5009 k = 0.0217 0.0377-0.0000 ( 4803 PWs) bands (ev): -44.4954 -44.4954 -44.4654 -44.4654 -44.4652 -44.4652 -20.4056 -20.4055 -20.4053 -20.4051 -20.3171 -20.3169 -17.9922 -17.9822 -17.9745 -17.9745 -17.9377 -17.9321 -17.9084 -17.8986 -17.8400 -17.8400 -17.8116 -17.8061 2.6348 2.6348 5.7056 5.7067 5.7078 5.7092 9.3067 9.3069 9.9254 9.9291 9.9677 9.9751 10.6063 10.6146 10.7021 10.7099 11.1950 11.2046 11.7188 11.7229 11.8942 11.9129 12.0465 12.0527 12.9651 12.9721 12.9857 12.9943 13.3179 13.3372 13.3474 13.3639 13.6202 13.6212 13.6337 13.6367 13.8856 13.8975 14.4130 14.4262 15.7944 15.7979 18.4789 18.5012 18.8254 18.8603 18.9111 18.9143 19.0281 19.0332 19.0659 19.0853 19.4137 19.4422 19.4623 19.5013 k = 0.0145 0.0251-0.0000 ( 4797 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4052 -20.3168 -20.3167 -17.9906 -17.9838 -17.9743 -17.9743 -17.9371 -17.9334 -17.9068 -17.9002 -17.8399 -17.8399 -17.8105 -17.8068 2.6268 2.6268 5.7006 5.7013 5.7017 5.7027 9.3528 9.3532 9.9909 9.9921 10.0076 10.0122 10.5635 10.5694 10.6102 10.6169 11.2742 11.2838 11.7158 11.7193 11.8083 11.8244 12.0254 12.0295 12.9808 12.9853 12.9905 12.9962 13.3248 13.3356 13.3414 13.3501 13.6297 13.6301 13.6388 13.6413 13.8877 13.8958 14.4238 14.4326 15.7955 15.7978 18.5396 18.5579 18.8606 18.8897 18.9179 18.9216 19.0708 19.0734 19.0799 19.0899 19.4412 19.4592 19.4643 19.4925 k = 0.0072 0.0126-0.0000 ( 4791 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4053 -20.3167 -20.3166 -17.9889 -17.9855 -17.9741 -17.9741 -17.9364 -17.9345 -17.9051 -17.9018 -17.8399 -17.8399 -17.8095 -17.8076 2.6221 2.6221 5.6978 5.6981 5.6981 5.6986 9.3805 9.3808 10.0347 10.0363 10.0464 10.0470 10.5306 10.5336 10.5446 10.5485 11.3405 11.3475 11.7121 11.7148 11.7434 11.7545 12.0131 12.0151 12.9910 12.9921 12.9953 12.9970 13.3298 13.3322 13.3395 13.3407 13.6352 13.6353 13.6427 13.6442 13.8901 13.8941 14.4312 14.4356 15.7962 15.7973 18.5853 18.5961 18.8873 18.9063 18.9129 18.9138 19.0773 19.0874 19.1099 19.1124 19.4559 19.4589 19.4752 19.4842 k = 0.0000 0.0000 0.0000 ( 4791 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4053 -20.3166 -20.3166 -17.9872 -17.9872 -17.9741 -17.9741 -17.9355 -17.9355 -17.9034 -17.9034 -17.8399 -17.8399 -17.8085 -17.8085 2.6205 2.6205 5.6970 5.6970 5.6971 5.6971 9.3897 9.3897 10.0520 10.0520 10.0623 10.0623 10.5165 10.5165 10.5232 10.5232 11.3717 11.3717 11.7054 11.7054 11.7272 11.7272 12.0097 12.0097 12.9945 12.9945 12.9971 12.9971 13.3316 13.3316 13.3377 13.3377 13.6369 13.6369 13.6447 13.6447 13.8923 13.8923 14.4351 14.4351 15.7968 15.7968 18.6064 18.6064 18.9027 18.9027 18.9107 18.9107 19.0825 19.0825 19.1243 19.1243 19.4594 19.4594 19.4802 19.4802 k = 0.0000 0.0000 0.0000 ( 4791 PWs) bands (ev): -44.4954 -44.4954 -44.4652 -44.4652 -44.4652 -44.4652 -20.4055 -20.4055 -20.4053 -20.4053 -20.3166 -20.3166 -17.9872 -17.9872 -17.9741 -17.9741 -17.9355 -17.9355 -17.9034 -17.9034 -17.8399 -17.8399 -17.8085 -17.8085 2.6205 2.6205 5.6970 5.6970 5.6971 5.6971 9.3897 9.3897 10.0520 10.0520 10.0623 10.0623 10.5165 10.5165 10.5232 10.5232 11.3717 11.3717 11.7054 11.7054 11.7272 11.7272 12.0097 12.0097 12.9945 12.9945 12.9971 12.9971 13.3316 13.3316 13.3377 13.3377 13.6369 13.6369 13.6447 13.6447 13.8923 13.8923 14.4351 14.4351 15.7968 15.7968 18.6064 18.6064 18.9027 18.9027 18.9107 18.9107 19.0825 19.0825 19.1243 19.1243 19.4594 19.4594 19.4802 19.4802 k = 0.0000 0.0000 0.0146 ( 4803 PWs) bands (ev): -44.4954 -44.4954 -44.4660 -44.4660 -44.4645 -44.4645 -20.4076 -20.4075 -20.4034 -20.4032 -20.3167 -20.3166 -17.9893 -17.9852 -17.9765 -17.9717 -17.9365 -17.9346 -17.9039 -17.9029 -17.8411 -17.8387 -17.8097 -17.8076 2.6221 2.6221 5.5962 5.5963 5.7976 5.7977 9.3909 9.3911 10.0224 10.0328 10.0847 10.0949 10.4783 10.4857 10.5556 10.5615 11.3713 11.3723 11.6277 11.6474 11.7642 11.7878 12.0053 12.0055 12.9986 13.0027 13.0106 13.0109 13.3094 13.3172 13.3546 13.3563 13.5883 13.6027 13.6874 13.6911 13.8802 13.8970 14.4251 14.4481 15.7997 15.8021 18.6048 18.6109 18.8981 18.9045 18.9070 18.9162 19.0762 19.0862 19.1233 19.1263 19.4377 19.4486 19.4748 19.5056 k = 0.0000 0.0000 0.0292 ( 4798 PWs) bands (ev): -44.4953 -44.4953 -44.4668 -44.4668 -44.4638 -44.4638 -20.4096 -20.4095 -20.4012 -20.4009 -20.3169 -20.3167 -17.9912 -17.9831 -17.9788 -17.9693 -17.9375 -17.9336 -17.9042 -17.9022 -17.8423 -17.8375 -17.8109 -17.8067 2.6269 2.6269 5.4954 5.4954 5.8981 5.8982 9.3948 9.3951 9.9962 10.0067 10.1201 10.1302 10.4412 10.4492 10.5956 10.6006 11.3713 11.3731 11.5362 11.5539 11.7999 11.8247 11.9925 11.9929 13.0274 13.0316 13.0390 13.0412 13.2887 13.2962 13.3699 13.3771 13.5428 13.5683 13.7391 13.7401 13.8616 13.8941 14.4185 14.4632 15.8107 15.8155 18.6060 18.6185 18.8931 18.8971 18.9115 18.9214 19.0675 19.0876 19.1232 19.1292 19.4107 19.4110 19.4811 19.5249 k = 0.0000 0.0000 0.0438 ( 4792 PWs) bands (ev): -44.4952 -44.4952 -44.4675 -44.4675 -44.4631 -44.4631 -20.4116 -20.4115 -20.3989 -20.3986 -20.3173 -20.3170 -17.9931 -17.9810 -17.9810 -17.9669 -17.9385 -17.9326 -17.9044 -17.9015 -17.8436 -17.8363 -17.8123 -17.8060 2.6350 2.6350 5.3947 5.3948 5.9982 5.9982 9.4012 9.4016 9.9737 9.9843 10.1575 10.1674 10.4053 10.4137 10.6363 10.6403 11.3716 11.3734 11.4362 11.4530 11.8110 11.8363 11.9716 11.9722 13.0765 13.0811 13.0827 13.0845 13.2707 13.2755 13.3730 13.3956 13.5041 13.5470 13.7909 13.7917 13.8376 13.8833 14.4153 14.4795 15.8293 15.8366 18.6095 18.6288 18.8869 18.8882 18.9163 18.9264 19.0568 19.0871 19.1241 19.1330 19.3683 19.3791 19.4672 19.4900 k = 0.0000 0.0000 0.0584 ( 4786 PWs) bands (ev): -44.4950 -44.4950 -44.4682 -44.4682 -44.4624 -44.4624 -20.4135 -20.4134 -20.3966 -20.3962 -20.3177 -20.3173 -17.9950 -17.9832 -17.9790 -17.9645 -17.9395 -17.9316 -17.9044 -17.9006 -17.8449 -17.8352 -17.8138 -17.8054 2.6463 2.6463 5.2942 5.2943 6.0978 6.0979 9.4102 9.4108 9.9550 9.9657 10.1956 10.2053 10.3706 10.3793 10.6776 10.6804 11.3323 11.3405 11.3722 11.3818 11.7994 11.8243 11.9430 11.9438 13.1191 13.1262 13.1540 13.1629 13.2554 13.2614 13.3610 13.3975 13.4849 13.5437 13.8089 13.8428 13.8449 13.8651 14.4153 14.4960 15.8550 15.8647 18.6149 18.6417 18.8772 18.8791 18.9219 18.9316 19.0446 19.0854 19.1259 19.1376 19.3225 19.3442 19.4243 19.4278 k = 0.0000 0.0000 0.0730 ( 4810 PWs) bands (ev): -44.4949 -44.4949 -44.4691 -44.4691 -44.4620 -44.4620 -20.4154 -20.4154 -20.3943 -20.3939 -20.3184 -20.3178 -17.9969 -17.9855 -17.9770 -17.9621 -17.9405 -17.9308 -17.9043 -17.8998 -17.8463 -17.8342 -17.8155 -17.8050 2.6608 2.6608 5.1941 5.1942 6.1969 6.1969 9.4218 9.4225 9.9400 9.9508 10.2327 10.2420 10.3371 10.3461 10.7194 10.7210 11.2290 11.2387 11.3731 11.3805 11.7687 11.7928 11.9074 11.9082 13.1636 13.1729 13.1984 13.2361 13.2639 13.2986 13.3360 13.3732 13.4951 13.5564 13.7766 13.8405 13.8954 13.8985 14.4176 14.5121 15.8869 15.8989 18.6214 18.6565 18.8634 18.8687 18.9283 18.9369 19.0320 19.0834 19.1285 19.1428 19.2763 19.3077 19.3630 19.3659 k = 0.0000 0.0000 0.0875 ( 4828 PWs) bands (ev): -44.4949 -44.4949 -44.4701 -44.4701 -44.4614 -44.4614 -20.4172 -20.4171 -20.3920 -20.3915 -20.3191 -20.3185 -17.9986 -17.9876 -17.9750 -17.9597 -17.9415 -17.9299 -17.9041 -17.8989 -17.8477 -17.8331 -17.8174 -17.8048 2.6785 2.6785 5.0945 5.0945 6.2952 6.2953 9.4358 9.4368 9.9287 9.9398 10.2659 10.2746 10.3051 10.3142 10.7615 10.7617 11.1313 11.1396 11.3742 11.3824 11.7236 11.7467 11.8653 11.8662 13.1950 13.2070 13.2178 13.2189 13.3042 13.3380 13.3807 13.4008 13.5196 13.5791 13.7417 13.8102 13.9483 13.9521 14.4213 14.5268 15.9239 15.9383 18.6282 18.6724 18.8465 18.8548 18.9360 18.9425 19.0203 19.0822 19.1320 19.1478 19.2334 19.2718 19.2973 19.3015 k = 0.0000 0.0000 0.1021 ( 4840 PWs) bands (ev): -44.4947 -44.4947 -44.4712 -44.4712 -44.4608 -44.4608 -20.4189 -20.4188 -20.3897 -20.3891 -20.3199 -20.3192 -18.0002 -17.9897 -17.9731 -17.9574 -17.9424 -17.9291 -17.9037 -17.8978 -17.8490 -17.8321 -17.8194 -17.8047 2.6993 2.6993 4.9954 4.9954 6.3928 6.3929 9.4524 9.4535 9.9212 9.9324 10.2745 10.2837 10.2904 10.2981 10.8026 10.8037 11.0452 11.0515 11.3756 11.3847 11.6681 11.6901 11.8177 11.8185 13.1823 13.2005 13.2460 13.2619 13.2700 13.3026 13.5078 13.5257 13.5491 13.6075 13.7064 13.7754 14.0013 14.0056 14.4255 14.5397 15.9647 15.9815 18.6344 18.6882 18.8264 18.8368 18.9452 18.9486 19.0109 19.0828 19.1362 19.1499 19.1974 19.2343 19.2343 19.2387 k = 0.0000 0.0000 0.1167 ( 4852 PWs) bands (ev): -44.4944 -44.4944 -44.4721 -44.4721 -44.4604 -44.4604 -20.4205 -20.4204 -20.3873 -20.3866 -20.3209 -20.3200 -18.0018 -17.9917 -17.9713 -17.9551 -17.9434 -17.9283 -17.9031 -17.8968 -17.8505 -17.8311 -17.8215 -17.8046 2.7233 2.7233 4.8970 4.8971 6.4895 6.4895 9.4714 9.4728 9.9172 9.9287 10.2454 10.2545 10.2995 10.3055 10.8433 10.8458 10.9787 10.9824 11.3771 11.3873 11.6055 11.6265 11.7652 11.7660 13.1684 13.1843 13.2356 13.2553 13.2936 13.3003 13.5811 13.6210 13.6396 13.6617 13.6919 13.7371 14.0539 14.0586 14.4294 14.5503 16.0082 16.0272 18.6389 18.7025 18.8038 18.8151 18.9551 18.9558 19.0062 19.0861 19.1309 19.1412 19.1657 19.1711 19.1928 19.2102 k = 0.0000 0.0000 0.1313 ( 4852 PWs) bands (ev): -44.4941 -44.4941 -44.4730 -44.4730 -44.4598 -44.4598 -20.4220 -20.4219 -20.3848 -20.3841 -20.3219 -20.3210 -18.0032 -17.9936 -17.9695 -17.9527 -17.9442 -17.9276 -17.9022 -17.8957 -17.8519 -17.8300 -17.8237 -17.8047 2.7505 2.7505 4.7995 4.7996 6.5850 6.5851 9.4929 9.4944 9.9167 9.9284 10.2178 10.2268 10.2856 10.2895 10.8837 10.8871 10.9404 10.9404 11.3786 11.3900 11.5382 11.5583 11.7086 11.7093 13.1550 13.1691 13.2022 13.2245 13.3209 13.3328 13.6112 13.6146 13.6741 13.6960 13.8049 13.8057 14.1060 14.1110 14.4322 14.5583 16.0528 16.0740 18.6410 18.7141 18.7803 18.7915 18.9622 18.9662 19.0096 19.0755 19.0919 19.0968 19.1467 19.1565 19.1869 19.1888 k = 0.0000 0.0000 0.1459 ( 4852 PWs) bands (ev): -44.4938 -44.4938 -44.4738 -44.4738 -44.4593 -44.4593 -20.4235 -20.4234 -20.3824 -20.3816 -20.3230 -20.3220 -18.0045 -17.9954 -17.9678 -17.9504 -17.9451 -17.9269 -17.9012 -17.8945 -17.8533 -17.8290 -17.8261 -17.8049 2.7808 2.7808 4.7030 4.7030 6.6793 6.6793 9.5166 9.5184 9.9193 9.9313 10.1919 10.2007 10.2450 10.2467 10.9211 10.9237 10.9295 10.9401 11.3802 11.3927 11.4683 11.4877 11.6489 11.6493 13.1423 13.1550 13.1706 13.1925 13.3450 13.3584 13.5717 13.6493 13.6530 13.7106 13.9526 13.9531 14.1572 14.1624 14.4333 14.5632 16.0971 16.1204 18.6402 18.7220 18.7578 18.7691 18.9699 18.9740 19.0109 19.0247 19.0285 19.0980 19.1528 19.1556 19.1690 19.1957 k = 0.0000 0.0000 0.1605 ( 4852 PWs) bands (ev): -44.4934 -44.4934 -44.4747 -44.4747 -44.4588 -44.4588 -20.4248 -20.4247 -20.3799 -20.3790 -20.3242 -20.3231 -18.0057 -17.9972 -17.9662 -17.9482 -17.9459 -17.9263 -17.8999 -17.8932 -17.8548 -17.8285 -17.8280 -17.8052 2.8142 2.8142 4.6075 4.6075 6.7722 6.7722 9.5426 9.5446 9.9250 9.9373 10.1675 10.1761 10.1809 10.1810 10.9455 10.9468 10.9631 10.9763 11.3817 11.3954 11.3971 11.4160 11.5867 11.5868 13.1304 13.1413 13.1420 13.1625 13.3625 13.3762 13.5295 13.6087 13.6850 13.7486 14.1043 14.1049 14.2072 14.2128 14.4324 14.5649 16.1396 16.1648 18.6369 18.7267 18.7385 18.7508 18.9458 18.9615 18.9783 18.9804 19.0509 19.1022 19.1556 19.1593 19.1693 19.2052 k = 0.0000 0.0000 0.1751 ( 4870 PWs) bands (ev): -44.4930 -44.4930 -44.4758 -44.4758 -44.4585 -44.4585 -20.4261 -20.4260 -20.3774 -20.3765 -20.3256 -20.3244 -18.0069 -17.9989 -17.9648 -17.9467 -17.9461 -17.9258 -17.8985 -17.8920 -17.8562 -17.8311 -17.8271 -17.8056 2.8506 2.8506 4.5131 4.5132 6.8633 6.8633 9.5707 9.5730 9.9333 9.9459 10.0999 10.1008 10.1449 10.1531 10.9833 10.9847 11.0016 11.0182 11.3261 11.3443 11.3832 11.3978 11.5226 11.5228 13.1145 13.1195 13.1300 13.1354 13.3723 13.3857 13.4865 13.5639 13.7214 13.7879 14.2493 14.2555 14.2597 14.2699 14.4291 14.5632 16.1785 16.2056 18.6324 18.7245 18.7289 18.7385 18.8821 18.8964 18.9872 18.9873 19.0856 19.1052 19.1459 19.1661 19.1950 19.2158 k = 0.0000 0.0000 0.1897 ( 4882 PWs) bands (ev): -44.4926 -44.4926 -44.4767 -44.4767 -44.4582 -44.4582 -20.4273 -20.4272 -20.3749 -20.3739 -20.3270 -20.3258 -18.0079 -18.0005 -17.9635 -17.9475 -17.9440 -17.9253 -17.8968 -17.8907 -17.8578 -17.8339 -17.8261 -17.8061 2.8901 2.8901 4.4201 4.4202 6.9524 6.9524 9.6008 9.6035 9.9438 9.9568 10.0102 10.0117 10.1240 10.1318 11.0300 11.0364 11.0390 11.0634 11.2561 11.2740 11.3842 11.4000 11.4572 11.4579 13.0905 13.1096 13.1112 13.1190 13.3743 13.3866 13.4433 13.5191 13.7587 13.8283 14.3020 14.3055 14.4148 14.4157 14.4230 14.5580 16.2125 16.2411 18.6289 18.7171 18.7302 18.7325 18.8208 18.8339 18.9953 18.9972 19.1087 19.1267 19.1390 19.1731 19.2270 19.2293 k = 0.0000 0.0000 0.2043 ( 4864 PWs) bands (ev): -44.4920 -44.4920 -44.4775 -44.4775 -44.4577 -44.4577 -20.4283 -20.4282 -20.3724 -20.3713 -20.3285 -20.3272 -18.0088 -18.0019 -17.9622 -17.9483 -17.9419 -17.9249 -17.8949 -17.8893 -17.8592 -17.8365 -17.8251 -17.8066 2.9325 2.9325 4.3285 4.3285 7.0391 7.0391 9.6328 9.6358 9.9170 9.9187 9.9560 9.9694 10.1049 10.1122 11.0752 11.0760 11.0964 11.1161 11.1884 11.2060 11.3848 11.3916 11.3928 11.4018 13.0697 13.0903 13.1006 13.1090 13.3687 13.3788 13.4005 13.4752 13.7965 13.8695 14.3462 14.3500 14.4142 14.5483 14.5690 14.5728 16.2399 16.2699 18.6287 18.7173 18.7321 18.7324 18.7625 18.7744 19.0048 19.0080 19.1130 19.1341 19.1729 19.1799 19.2385 19.2700 k = 0.0000 0.0000 0.2189 ( 4864 PWs) bands (ev): -44.4915 -44.4915 -44.4783 -44.4783 -44.4574 -44.4574 -20.4293 -20.4292 -20.3699 -20.3687 -20.3301 -20.3288 -18.0095 -18.0033 -17.9611 -17.9490 -17.9399 -17.9246 -17.8928 -17.8880 -17.8608 -17.8394 -17.8241 -17.8073 2.9779 2.9779 4.2384 4.2384 7.1228 7.1229 9.6664 9.6698 9.8235 9.8253 9.9693 9.9831 10.0875 10.0943 11.1099 11.1166 11.1237 11.1412 11.1611 11.1771 11.3262 11.3281 11.3848 11.4030 13.0522 13.0730 13.0926 13.1001 13.3560 13.3584 13.3622 13.4331 13.8349 13.9115 14.3878 14.3915 14.4024 14.5367 14.7227 14.7274 16.2592 16.2902 18.6331 18.7079 18.7185 18.7252 18.7356 18.7379 19.0157 19.0197 19.1181 19.1305 19.1863 19.2232 19.2501 19.3156 k = 0.0000 0.0000 0.2335 ( 4864 PWs) bands (ev): -44.4909 -44.4909 -44.4792 -44.4792 -44.4571 -44.4571 -20.4302 -20.4300 -20.3674 -20.3662 -20.3318 -20.3304 -18.0102 -18.0046 -17.9601 -17.9497 -17.9380 -17.9244 -17.8905 -17.8866 -17.8623 -17.8423 -17.8231 -17.8080 3.0262 3.0263 4.1499 4.1500 7.2030 7.2031 9.7015 9.7054 9.7323 9.7340 9.9829 9.9971 10.0720 10.0782 11.0634 11.0807 11.1428 11.1532 11.2278 11.2423 11.2619 11.2647 11.3841 11.4037 13.0382 13.0593 13.0854 13.0921 13.3174 13.3372 13.3374 13.3939 13.8737 13.9540 14.3877 14.4264 14.4298 14.5210 14.8747 14.8810 16.2691 16.3007 18.6426 18.6574 18.6668 18.7404 18.7416 18.7486 19.0277 19.0326 19.1237 19.1275 19.1916 19.2614 19.2643 19.2766 k = 0.0000 0.0000 0.2481 ( 4840 PWs) bands (ev): -44.4903 -44.4903 -44.4800 -44.4800 -44.4564 -44.4564 -20.4308 -20.4307 -20.3648 -20.3636 -20.3335 -20.3321 -18.0106 -18.0057 -17.9590 -17.9502 -17.9363 -17.9243 -17.8880 -17.8851 -17.8638 -17.8453 -17.8221 -17.8087 3.0774 3.0775 4.0632 4.0632 7.2788 7.2789 9.6451 9.6467 9.7376 9.7421 9.9959 10.0104 10.0583 10.0638 11.0084 11.0256 11.1726 11.1870 11.1993 11.2043 11.2937 11.3081 11.3825 11.4041 13.0280 13.0495 13.0793 13.0850 13.2778 13.3058 13.3135 13.3575 13.9128 13.9969 14.3701 14.4616 14.4647 14.5018 15.0240 15.0320 16.2682 16.3000 18.6115 18.6198 18.6569 18.7509 18.7616 18.7646 19.0411 19.0467 19.1245 19.1294 19.1934 19.2133 19.2677 19.2721 k = 0.0000 0.0000 0.2626 ( 4852 PWs) bands (ev): -44.4898 -44.4898 -44.4809 -44.4809 -44.4563 -44.4563 -20.4315 -20.4314 -20.3624 -20.3611 -20.3354 -20.3340 -18.0111 -18.0068 -17.9582 -17.9508 -17.9346 -17.9244 -17.8854 -17.8837 -17.8653 -17.8485 -17.8212 -17.8096 3.1315 3.1315 3.9782 3.9782 7.3493 7.3494 9.5639 9.5653 9.7745 9.7795 10.0071 10.0216 10.0468 10.0513 10.9602 10.9772 11.1391 11.1421 11.2046 11.2182 11.3546 11.3718 11.3799 11.4061 13.0215 13.0437 13.0740 13.0789 13.2400 13.2704 13.2866 13.3229 13.9519 14.0398 14.3497 14.4794 14.4930 14.4957 15.1696 15.1794 16.2555 16.2871 18.5708 18.5779 18.6753 18.7638 18.7852 18.7871 19.0557 19.0623 19.1194 19.1348 19.1653 19.1815 19.2326 19.2818 k = 0.0000 0.0000 0.2772 ( 4870 PWs) bands (ev): -44.4892 -44.4892 -44.4817 -44.4817 -44.4563 -44.4563 -20.4322 -20.4321 -20.3599 -20.3586 -20.3374 -20.3359 -18.0114 -18.0079 -17.9575 -17.9515 -17.9331 -17.9245 -17.8827 -17.8822 -17.8669 -17.8516 -17.8202 -17.8105 3.1882 3.1883 3.8952 3.8952 7.4130 7.4131 9.4904 9.4916 9.8116 9.8174 10.0153 10.0282 10.0385 10.0406 10.9201 10.9368 11.0821 11.0866 11.2312 11.2468 11.3760 11.3872 11.4308 11.4313 13.0190 13.0419 13.0696 13.0737 13.2042 13.2342 13.2585 13.2896 13.9909 14.0828 14.3265 14.4539 14.5203 14.5226 15.3106 15.3222 16.2302 16.2612 18.5356 18.5415 18.6973 18.7807 18.8095 18.8146 19.0716 19.0796 19.0988 19.1344 19.1394 19.1443 19.2219 19.2892 k = 0.0000 0.0000 0.2918 ( 4870 PWs) bands (ev): -44.4886 -44.4886 -44.4826 -44.4826 -44.4562 -44.4562 -20.4326 -20.4325 -20.3575 -20.3561 -20.3394 -20.3379 -18.0116 -18.0087 -17.9568 -17.9521 -17.9317 -17.9248 -17.8807 -17.8798 -17.8685 -17.8548 -17.8192 -17.8114 3.2477 3.2478 3.8142 3.8142 7.4687 7.4688 9.4264 9.4274 9.8483 9.8549 10.0191 10.0253 10.0318 10.0369 10.8897 10.9058 11.0292 11.0350 11.2558 11.2729 11.3706 11.3877 11.4796 11.4841 13.0206 13.0442 13.0661 13.0694 13.1707 13.1993 13.2314 13.2580 14.0296 14.1254 14.3009 14.4255 14.5432 14.5451 15.4458 15.4595 16.1918 16.2216 18.5063 18.5110 18.7225 18.8016 18.8360 18.8407 19.0568 19.0888 19.0981 19.0989 19.1276 19.1427 19.2187 19.2917 k = 0.0000 0.0000 0.3064 ( 4864 PWs) bands (ev): -44.4878 -44.4878 -44.4833 -44.4833 -44.4560 -44.4560 -20.4330 -20.4329 -20.3550 -20.3536 -20.3414 -20.3400 -18.0117 -18.0095 -17.9561 -17.9526 -17.9303 -17.9252 -17.8792 -17.8768 -17.8700 -17.8579 -17.8182 -17.8123 3.3099 3.3099 3.7352 3.7352 7.5145 7.5146 9.3738 9.3746 9.8839 9.8914 10.0175 10.0192 10.0250 10.0346 10.8700 10.8854 10.9814 10.9885 11.2781 11.2963 11.3636 11.3823 11.5238 11.5282 13.0261 13.0505 13.0635 13.0659 13.1400 13.1670 13.2078 13.2295 14.0678 14.1675 14.2729 14.3944 14.5614 14.5628 15.5742 15.5900 16.1400 16.1684 18.4834 18.4869 18.7504 18.8265 18.8615 18.8628 19.0138 19.0516 19.1074 19.1205 19.1264 19.1441 19.2133 19.2838 k = 0.0000 0.0000 0.3210 ( 4852 PWs) bands (ev): -44.4871 -44.4871 -44.4840 -44.4840 -44.4558 -44.4558 -20.4332 -20.4331 -20.3526 -20.3512 -20.3436 -20.3421 -18.0116 -18.0101 -17.9555 -17.9532 -17.9291 -17.9257 -17.8777 -17.8738 -17.8715 -17.8611 -17.8172 -17.8132 3.3747 3.3747 3.6585 3.6585 7.5489 7.5490 9.3346 9.3352 9.9175 9.9258 10.0094 10.0132 10.0200 10.0276 10.8620 10.8763 10.9399 10.9484 11.2981 11.3171 11.3547 11.3742 11.5580 11.5613 13.0357 13.0606 13.0618 13.0634 13.1122 13.1381 13.1901 13.2056 14.1052 14.2088 14.2427 14.3610 14.5746 14.5756 15.6947 15.7127 16.0750 16.1016 18.4669 18.4692 18.7806 18.8554 18.8716 18.8878 18.9759 19.0067 19.1272 19.1278 19.1432 19.1446 19.2030 19.2617 k = 0.0000 0.0000 0.3356 ( 4864 PWs) bands (ev): -44.4864 -44.4864 -44.4849 -44.4849 -44.4558 -44.4558 -20.4333 -20.4333 -20.3503 -20.3489 -20.3458 -20.3443 -18.0114 -18.0107 -17.9549 -17.9537 -17.9281 -17.9264 -17.8762 -17.8731 -17.8707 -17.8644 -17.8162 -17.8142 3.4420 3.4420 3.5840 3.5840 7.5702 7.5703 9.3104 9.3106 9.9479 9.9571 9.9949 10.0032 10.0172 10.0196 10.8657 10.8787 10.9058 10.9158 11.3157 11.3352 11.3439 11.3637 11.5799 11.5816 13.0493 13.0609 13.0617 13.0745 13.0877 13.1131 13.1803 13.1885 14.1417 14.2107 14.2491 14.3255 14.5827 14.5832 15.8061 15.8263 15.9972 16.0218 18.4572 18.4583 18.8120 18.8650 18.8882 18.9095 18.9477 18.9641 19.1312 19.1402 19.1478 19.1713 19.1875 19.2317 k = 0.0000 0.0000 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4857 -44.4857 -44.4558 -44.4558 -20.4334 -20.4334 -20.3480 -20.3480 -20.3466 -20.3466 -18.0111 -18.0111 -17.9543 -17.9543 -17.9272 -17.9272 -17.8746 -17.8746 -17.8675 -17.8675 -17.8152 -17.8152 3.5118 3.5118 3.5118 3.5118 7.5775 7.5775 9.3022 9.3022 9.9741 9.9741 9.9837 9.9837 10.0166 10.0166 10.8807 10.8807 10.8922 10.8922 11.3309 11.3309 11.3507 11.3507 11.5880 11.5880 13.0609 13.0609 13.0667 13.0667 13.0920 13.0920 13.1797 13.1797 14.1769 14.1769 14.2881 14.2881 14.5856 14.5856 15.9073 15.9073 15.9297 15.9297 18.4543 18.4543 18.8423 18.8423 18.9245 18.9245 18.9280 18.9280 19.1358 19.1358 19.1684 19.1684 19.2006 19.2006 k = 0.0000 0.0000 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4857 -44.4857 -44.4558 -44.4558 -20.4334 -20.4334 -20.3480 -20.3480 -20.3466 -20.3466 -18.0111 -18.0111 -17.9543 -17.9543 -17.9272 -17.9272 -17.8746 -17.8746 -17.8675 -17.8675 -17.8152 -17.8152 3.5118 3.5118 3.5118 3.5118 7.5775 7.5775 9.3022 9.3022 9.9741 9.9741 9.9837 9.9837 10.0166 10.0166 10.8807 10.8807 10.8922 10.8922 11.3309 11.3309 11.3507 11.3507 11.5880 11.5880 13.0609 13.0609 13.0667 13.0667 13.0920 13.0920 13.1797 13.1797 14.1769 14.1769 14.2881 14.2881 14.5856 14.5856 15.9073 15.9073 15.9297 15.9297 18.4543 18.4543 18.8423 18.8423 18.9245 18.9245 18.9280 18.9280 19.1358 19.1358 19.1684 19.1684 19.2006 19.2006 k = 0.0125 0.0072 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4857 -44.4857 -44.4558 -44.4558 -20.4334 -20.4334 -20.3481 -20.3480 -20.3466 -20.3466 -18.0114 -18.0107 -17.9544 -17.9543 -17.9291 -17.9251 -17.8754 -17.8748 -17.8671 -17.8671 -17.8172 -17.8133 3.5131 3.5133 3.5133 3.5134 7.5786 7.5787 9.2983 9.2989 9.8596 9.8694 9.9789 9.9801 10.1226 10.1346 10.8673 10.8685 10.8797 10.8798 11.3456 11.3461 11.3606 11.3708 11.5863 11.5940 13.0602 13.0613 13.0671 13.0671 13.0926 13.0926 13.1806 13.1816 14.1735 14.1760 14.2858 14.2858 14.5824 14.5830 15.9058 15.9088 15.9298 15.9298 18.4491 18.4504 18.8164 18.8465 18.8881 18.8910 18.9355 18.9529 19.1176 19.1400 19.1743 19.1753 19.1923 19.2057 k = 0.0250 0.0144 0.3502 ( 4862 PWs) bands (ev): -44.4857 -44.4857 -44.4856 -44.4856 -44.4558 -44.4558 -20.4333 -20.4333 -20.3483 -20.3480 -20.3466 -20.3466 -18.0117 -18.0103 -17.9545 -17.9545 -17.9309 -17.9230 -17.8769 -17.8757 -17.8660 -17.8659 -17.8192 -17.8115 3.5174 3.5177 3.5177 3.5180 7.5819 7.5820 9.2871 9.2881 9.7289 9.7388 9.9777 9.9788 10.2471 10.2603 10.8332 10.8355 10.8490 10.8500 11.3831 11.3855 11.3932 11.4165 11.5902 11.6075 13.0590 13.0613 13.0685 13.0687 13.0944 13.0945 13.1842 13.1861 14.1660 14.1705 14.2792 14.2795 14.5734 14.5746 15.9044 15.9103 15.9302 15.9302 18.4347 18.4375 18.7742 18.8148 18.8356 18.8444 18.9274 18.9680 19.0960 19.1292 19.1721 19.1804 19.1863 19.2067 k = 0.0375 0.0217 0.3502 ( 4862 PWs) bands (ev): -44.4857 -44.4857 -44.4856 -44.4856 -44.4559 -44.4559 -20.4332 -20.4331 -20.3484 -20.3480 -20.3468 -20.3468 -18.0119 -18.0099 -17.9548 -17.9546 -17.9326 -17.9208 -17.8788 -17.8771 -17.8647 -17.8644 -17.8213 -17.8097 3.5246 3.5251 3.5251 3.5255 7.5873 7.5875 9.2682 9.2698 9.5984 9.6082 9.9758 9.9773 10.3602 10.3753 10.7885 10.7913 10.8154 10.8186 11.4311 11.4323 11.4394 11.4712 11.6082 11.6362 13.0570 13.0605 13.0711 13.0715 13.0974 13.0977 13.1902 13.1931 14.1542 14.1605 14.2685 14.2695 14.5588 14.5605 15.9024 15.9111 15.9313 15.9314 18.4115 18.4162 18.7191 18.7503 18.7662 18.7903 18.9179 18.9751 19.0683 19.1032 19.1317 19.1548 19.1989 19.2066 k = 0.0500 0.0289 0.3502 ( 4862 PWs) bands (ev): -44.4856 -44.4856 -44.4856 -44.4856 -44.4559 -44.4559 -20.4330 -20.4329 -20.3487 -20.3481 -20.3469 -20.3469 -18.0120 -18.0093 -17.9552 -17.9549 -17.9341 -17.9185 -17.8808 -17.8786 -17.8631 -17.8628 -17.8235 -17.8080 3.5348 3.5354 3.5354 3.5359 7.5949 7.5952 9.2414 9.2436 9.4689 9.4786 9.9734 9.9757 10.4432 10.4603 10.7413 10.7440 10.8045 10.8102 11.4596 11.4785 11.4989 11.5177 11.6575 11.6889 13.0542 13.0588 13.0750 13.0755 13.1016 13.1023 13.1984 13.2024 14.1383 14.1457 14.2544 14.2568 14.5388 14.5410 15.8996 15.9106 15.9333 15.9339 18.3799 18.3868 18.6536 18.6712 18.6878 18.7199 18.9095 18.9750 19.0318 19.0630 19.0744 19.0930 19.2125 19.2151 k = 0.0625 0.0361 0.3502 ( 4866 PWs) bands (ev): -44.4856 -44.4856 -44.4855 -44.4855 -44.4561 -44.4561 -20.4328 -20.4327 -20.3490 -20.3483 -20.3471 -20.3470 -18.0121 -18.0088 -17.9559 -17.9552 -17.9354 -17.9162 -17.8829 -17.8801 -17.8616 -17.8612 -17.8257 -17.8065 3.5478 3.5486 3.5486 3.5493 7.6046 7.6050 9.2065 9.2091 9.3405 9.3502 9.9710 9.9743 10.4695 10.4856 10.6964 10.6985 10.8499 10.8551 11.4719 11.4975 11.5619 11.5708 11.7383 11.7651 13.0506 13.0562 13.0799 13.0806 13.1069 13.1082 13.2084 13.2135 14.1185 14.1265 14.2377 14.2419 14.5140 14.5165 15.8955 15.9081 15.9363 15.9381 18.3403 18.3497 18.5792 18.5833 18.6043 18.6390 18.8990 18.9619 18.9876 19.0117 19.0118 19.0279 19.2275 19.2287 k = 0.0750 0.0433 0.3502 ( 4862 PWs) bands (ev): -44.4856 -44.4856 -44.4853 -44.4853 -44.4562 -44.4562 -20.4325 -20.4324 -20.3493 -20.3486 -20.3473 -20.3472 -18.0121 -18.0082 -17.9567 -17.9555 -17.9364 -17.9139 -17.8851 -17.8818 -17.8600 -17.8595 -17.8280 -17.8050 3.5638 3.5647 3.5648 3.5656 7.6164 7.6168 9.1632 9.1661 9.2136 9.2232 9.9690 9.9737 10.4431 10.4562 10.6564 10.6576 10.9483 10.9510 11.4731 11.4973 11.6261 11.6322 11.8352 11.8568 13.0463 13.0528 13.0859 13.0867 13.1134 13.1154 13.2195 13.2255 14.0955 14.1036 14.2188 14.2254 14.4847 14.4874 15.8899 15.9037 15.9404 15.9435 18.2933 18.3051 18.4899 18.4966 18.5195 18.5517 18.8828 18.9216 18.9304 18.9386 18.9612 19.0017 19.2443 19.2455 k = 0.0875 0.0505 0.3502 ( 4866 PWs) bands (ev): -44.4856 -44.4856 -44.4852 -44.4852 -44.4563 -44.4563 -20.4322 -20.4321 -20.3497 -20.3489 -20.3475 -20.3474 -18.0120 -18.0075 -17.9577 -17.9558 -17.9373 -17.9116 -17.8874 -17.8834 -17.8584 -17.8580 -17.8303 -17.8035 3.5827 3.5838 3.5838 3.5847 7.6301 7.6306 9.0874 9.0967 9.1128 9.1156 9.9679 9.9742 10.3904 10.4013 10.6226 10.6227 11.0716 11.0726 11.4677 11.4900 11.6901 11.6951 11.9399 11.9574 13.0414 13.0487 13.0927 13.0936 13.1210 13.1237 13.2308 13.2377 14.0702 14.0783 14.1983 14.2074 14.4515 14.4542 15.8827 15.8974 15.9454 15.9499 18.2397 18.2528 18.3933 18.4084 18.4344 18.4603 18.8531 18.8556 18.8644 18.8767 18.9295 18.9902 19.2630 19.2646 k = 0.1000 0.0577 0.3502 ( 4866 PWs) bands (ev): -44.4856 -44.4856 -44.4850 -44.4850 -44.4566 -44.4566 -20.4318 -20.4318 -20.3502 -20.3493 -20.3477 -20.3475 -18.0119 -18.0069 -17.9589 -17.9562 -17.9379 -17.9093 -17.8897 -17.8851 -17.8568 -17.8565 -17.8326 -17.8022 3.6045 3.6057 3.6058 3.6068 7.6457 7.6462 8.9636 8.9733 9.0528 9.0561 9.9682 9.9762 10.3269 10.3364 10.5939 10.5957 11.2046 11.2049 11.4583 11.4791 11.7530 11.7573 12.0486 12.0630 13.0361 13.0442 13.1003 13.1013 13.1296 13.1331 13.2412 13.2486 14.0441 14.0524 14.1765 14.1878 14.4151 14.4175 15.8737 15.8891 15.9510 15.9569 18.1802 18.1924 18.2959 18.3191 18.3488 18.3664 18.7781 18.7979 18.8190 18.8217 18.9107 18.9809 19.2831 19.2848 k = 0.1125 0.0650 0.3502 ( 4866 PWs) bands (ev): -44.4856 -44.4856 -44.4848 -44.4848 -44.4567 -44.4567 -20.4314 -20.4313 -20.3507 -20.3498 -20.3479 -20.3476 -18.0117 -18.0061 -17.9602 -17.9566 -17.9384 -17.9070 -17.8920 -17.8868 -17.8552 -17.8550 -17.8349 -17.8010 3.6291 3.6305 3.6306 3.6317 7.6630 7.6636 8.8413 8.8510 8.9861 8.9894 9.9702 9.9800 10.2588 10.2674 10.5713 10.5751 11.3412 11.3414 11.4463 11.4660 11.8147 11.8182 12.1595 12.1714 13.0306 13.0395 13.1084 13.1095 13.1394 13.1435 13.2495 13.2569 14.0188 14.0279 14.1534 14.1665 14.3761 14.3779 15.8628 15.8788 15.9570 15.9642 18.1153 18.1232 18.1996 18.2322 18.2633 18.2719 18.7053 18.7338 18.7696 18.7784 18.8982 18.9714 19.3038 19.3045 k = 0.1250 0.0722 0.3502 ( 4870 PWs) bands (ev): -44.4856 -44.4856 -44.4846 -44.4846 -44.4570 -44.4570 -20.4309 -20.4308 -20.3514 -20.3504 -20.3482 -20.3478 -18.0115 -18.0054 -17.9616 -17.9570 -17.9386 -17.9047 -17.8943 -17.8884 -17.8537 -17.8537 -17.8373 -17.7998 3.6565 3.6581 3.6582 3.6595 7.6819 7.6826 8.7206 8.7304 8.9128 8.9160 9.9741 9.9857 10.1890 10.1970 10.5544 10.5603 11.4309 11.4499 11.4791 11.4801 11.8755 11.8778 12.2709 12.2808 13.0252 13.0350 13.1168 13.1180 13.1504 13.1548 13.2546 13.2612 13.9959 14.0067 14.1292 14.1433 14.3354 14.3361 15.8501 15.8664 15.9631 15.9714 18.0449 18.0456 18.1071 18.1490 18.1783 18.1801 18.6357 18.6716 18.7214 18.7386 18.8889 18.9616 19.3140 19.3264 k = 0.1375 0.0794 0.3502 ( 4878 PWs) bands (ev): -44.4857 -44.4857 -44.4844 -44.4844 -44.4572 -44.4572 -20.4304 -20.4303 -20.3521 -20.3511 -20.3485 -20.3480 -18.0112 -18.0046 -17.9631 -17.9575 -17.9388 -17.9026 -17.8966 -17.8901 -17.8524 -17.8523 -17.8395 -17.7988 3.6867 3.6885 3.6886 3.6900 7.7022 7.7030 8.6016 8.6115 8.8338 8.8366 9.9799 9.9933 10.1190 10.1266 10.5426 10.5509 11.4157 11.4345 11.6118 11.6140 11.9373 11.9376 12.3814 12.3897 13.0206 13.0311 13.1254 13.1266 13.1627 13.1670 13.2556 13.2604 13.9766 13.9903 14.1041 14.1181 14.2928 14.2936 15.8354 15.8518 15.9693 15.9785 17.9619 17.9680 18.0214 18.0679 18.0872 18.1018 18.5689 18.6112 18.6776 18.7011 18.8817 18.9515 19.3085 19.3454 k = 0.1500 0.0866 0.3502 ( 4874 PWs) bands (ev): -44.4857 -44.4857 -44.4841 -44.4841 -44.4574 -44.4574 -20.4298 -20.4297 -20.3528 -20.3518 -20.3487 -20.3482 -18.0108 -18.0038 -17.9647 -17.9579 -17.9387 -17.9008 -17.8984 -17.8917 -17.8512 -17.8510 -17.8416 -17.7978 3.7197 3.7217 3.7218 3.7233 7.7236 7.7245 8.4847 8.4945 8.7498 8.7523 9.9878 10.0027 10.0500 10.0571 10.5353 10.5460 11.3988 11.4175 11.7352 11.7404 12.0017 12.0047 12.4893 12.4961 13.0176 13.0289 13.1340 13.1352 13.1765 13.1797 13.2524 13.2540 13.9612 13.9793 14.0788 14.0910 14.2487 14.2516 15.8190 15.8351 15.9752 15.9852 17.8760 17.8855 17.9436 17.9877 18.0005 18.0294 18.5048 18.5523 18.6384 18.6669 18.8763 18.9416 19.2941 19.3423 k = 0.1625 0.0938 0.3502 ( 4864 PWs) bands (ev): -44.4855 -44.4855 -44.4839 -44.4839 -44.4576 -44.4576 -20.4292 -20.4291 -20.3536 -20.3526 -20.3489 -20.3483 -18.0104 -18.0030 -17.9662 -17.9583 -17.9386 -17.9017 -17.8977 -17.8934 -17.8502 -17.8501 -17.8432 -17.7970 3.7555 3.7576 3.7578 3.7594 7.7455 7.7466 8.3699 8.3798 8.6617 8.6637 9.9812 9.9886 9.9980 10.0150 10.5319 10.5450 11.3810 11.3997 11.8392 11.8482 12.0789 12.0863 12.5924 12.5976 13.0176 13.0297 13.1422 13.1436 13.1916 13.1918 13.2427 13.2467 13.9488 13.9730 14.0544 14.0626 14.2045 14.2103 15.8009 15.8164 15.9807 15.9913 17.7906 17.8012 17.8706 17.9096 17.9202 17.9621 18.4430 18.4945 18.6038 18.6363 18.8728 18.9319 19.2763 19.3171 k = 0.1750 0.1010 0.3502 ( 4864 PWs) bands (ev): -44.4855 -44.4855 -44.4836 -44.4836 -44.4578 -44.4578 -20.4285 -20.4284 -20.3545 -20.3535 -20.3492 -20.3485 -18.0099 -18.0021 -17.9678 -17.9588 -17.9384 -17.9039 -17.8957 -17.8950 -17.8504 -17.8490 -17.8438 -17.7962 3.7939 3.7962 3.7964 3.7982 7.7673 7.7685 8.2580 8.2679 8.5702 8.5717 9.9154 9.9228 10.0092 10.0276 10.5319 10.5474 11.3626 11.3813 11.9152 11.9270 12.1783 12.1891 12.6867 12.6902 13.0236 13.0365 13.1499 13.1520 13.1993 13.2062 13.2297 13.2438 13.9364 13.9688 14.0331 14.0350 14.1608 14.1701 15.7814 15.7960 15.9859 15.9968 17.7077 17.7186 17.8002 17.8351 17.8481 17.8990 18.3832 18.4378 18.5738 18.6094 18.8711 18.9226 19.2576 19.2876 k = 0.1875 0.1083 0.3502 ( 4864 PWs) bands (ev): -44.4855 -44.4855 -44.4834 -44.4834 -44.4581 -44.4581 -20.4278 -20.4277 -20.3554 -20.3544 -20.3494 -20.3487 -18.0093 -18.0013 -17.9693 -17.9592 -17.9382 -17.9062 -17.8966 -17.8937 -17.8518 -17.8481 -17.8433 -17.7956 3.8349 3.8374 3.8377 3.8396 7.7871 7.7886 8.1504 8.1602 8.4759 8.4769 9.8516 9.8588 10.0223 10.0421 10.5348 10.5527 11.3436 11.3625 11.9655 11.9780 12.2972 12.3093 12.7660 12.7673 13.0405 13.0543 13.1564 13.1609 13.1975 13.2024 13.2350 13.2513 13.9203 13.9592 14.0141 14.0176 14.1183 14.1317 15.7611 15.7743 15.9907 16.0016 17.6286 17.6393 17.7324 17.7656 17.7846 17.8400 18.3254 18.3821 18.5483 18.5864 18.8710 18.9137 19.2395 19.2575 k = 0.2000 0.1155 0.3502 ( 4864 PWs) bands (ev): -44.4855 -44.4855 -44.4831 -44.4831 -44.4584 -44.4584 -20.4270 -20.4270 -20.3563 -20.3553 -20.3497 -20.3489 -18.0087 -18.0004 -17.9709 -17.9597 -17.9379 -17.9084 -17.8982 -17.8918 -17.8536 -17.8472 -17.8422 -17.7950 3.8785 3.8811 3.8816 3.8837 7.8001 7.8024 8.0518 8.0610 8.3793 8.3799 9.7902 9.7974 10.0368 10.0578 10.5401 10.5603 11.3243 11.3435 11.9977 12.0098 12.4252 12.4378 12.8212 12.8227 13.0727 13.0883 13.1601 13.1716 13.1856 13.1926 13.2563 13.2680 13.8984 13.9371 14.0057 14.0083 14.0780 14.0959 15.7404 15.7518 15.9953 16.0060 17.5540 17.5643 17.6687 17.7018 17.7292 17.7855 18.2696 18.3275 18.5272 18.5671 18.8725 18.9049 19.2231 19.2283 k = 0.2125 0.1227 0.3502 ( 4872 PWs) bands (ev): -44.4855 -44.4855 -44.4828 -44.4828 -44.4587 -44.4587 -20.4262 -20.4262 -20.3574 -20.3564 -20.3499 -20.3492 -18.0080 -17.9996 -17.9724 -17.9602 -17.9375 -17.9107 -17.8998 -17.8900 -17.8557 -17.8464 -17.8408 -17.7945 3.9247 3.9274 3.9281 3.9304 7.7915 7.7958 7.9766 7.9840 8.2811 8.2812 9.7316 9.7389 10.0525 10.0746 10.5476 10.5700 11.3049 11.3244 12.0167 12.0281 12.5546 12.5677 12.8507 12.8551 13.1136 13.1335 13.1585 13.1687 13.1915 13.1995 13.2831 13.2899 13.8720 13.9074 14.0014 14.0022 14.0420 14.0645 15.7197 15.7290 16.0001 16.0103 17.4846 17.4939 17.6107 17.6443 17.6810 17.7360 18.2160 18.2744 18.5101 18.5515 18.8750 18.8958 19.2012 19.2096 k = 0.2250 0.1299 0.3502 ( 4876 PWs) bands (ev): -44.4855 -44.4855 -44.4825 -44.4825 -44.4591 -44.4591 -20.4254 -20.4254 -20.3585 -20.3574 -20.3502 -20.3494 -18.0073 -17.9988 -17.9739 -17.9607 -17.9371 -17.9128 -17.9014 -17.8884 -17.8578 -17.8458 -17.8393 -17.7942 3.9732 3.9761 3.9772 3.9796 7.7379 7.7451 7.9480 7.9527 8.1813 8.1816 9.6761 9.6834 10.0691 10.0922 10.5570 10.5814 11.2854 11.3054 12.0250 12.0357 12.6799 12.6936 12.8632 12.8698 13.1402 13.1528 13.1583 13.1655 13.2303 13.2369 13.3157 13.3159 13.8438 13.8765 13.9856 13.9919 14.0191 14.0430 15.6996 15.7064 16.0054 16.0148 17.4206 17.4287 17.5596 17.5935 17.6398 17.6916 18.1650 18.2230 18.4970 18.5395 18.8779 18.8860 19.1773 19.2001 k = 0.2375 0.1371 0.3502 ( 4872 PWs) bands (ev): -44.4855 -44.4855 -44.4821 -44.4821 -44.4594 -44.4594 -20.4245 -20.4245 -20.3595 -20.3585 -20.3505 -20.3496 -18.0066 -17.9980 -17.9753 -17.9612 -17.9366 -17.9150 -17.9029 -17.8870 -17.8596 -17.8451 -17.8378 -17.7939 4.0241 4.0271 4.0287 4.0314 7.6507 7.6594 7.9540 7.9576 8.0807 8.0811 9.6238 9.6312 10.0866 10.1104 10.5678 10.5942 11.2661 11.2865 12.0241 12.0341 12.7946 12.8095 12.8665 12.8752 13.1451 13.1537 13.1605 13.1764 13.2823 13.2957 13.3465 13.3557 13.8159 13.8476 13.9574 13.9698 14.0122 14.0345 15.6804 15.6843 16.0119 16.0202 17.3624 17.3692 17.5158 17.5495 17.6052 17.6528 18.1169 18.1738 18.4875 18.5307 18.8749 18.8801 19.1581 19.1955 k = 0.2500 0.1443 0.3502 ( 4868 PWs) bands (ev): -44.4855 -44.4855 -44.4817 -44.4817 -44.4597 -44.4597 -20.4236 -20.4236 -20.3607 -20.3596 -20.3507 -20.3499 -18.0058 -17.9973 -17.9766 -17.9616 -17.9361 -17.9170 -17.9044 -17.8858 -17.8613 -17.8446 -17.8362 -17.7937 4.0773 4.0804 4.0828 4.0856 7.5520 7.5612 7.9666 7.9757 7.9803 7.9853 9.5751 9.5825 10.1047 10.1290 10.5800 10.6081 11.2471 11.2679 12.0154 12.0248 12.8648 12.8690 12.8975 12.9068 13.1518 13.1646 13.1663 13.1830 13.3338 13.3535 13.3824 13.4018 13.7898 13.8223 13.9292 13.9434 14.0101 14.0324 15.6620 15.6628 16.0204 16.0274 17.3105 17.3157 17.4795 17.5125 17.5767 17.6196 18.0722 18.1274 18.4814 18.5251 18.8622 18.8802 19.1455 19.1966 k = 0.2625 0.1516 0.3502 ( 4856 PWs) bands (ev): -44.4854 -44.4854 -44.4813 -44.4813 -44.4599 -44.4599 -20.4226 -20.4226 -20.3618 -20.3608 -20.3509 -20.3501 -18.0049 -17.9965 -17.9778 -17.9621 -17.9355 -17.9190 -17.9059 -17.8850 -17.8627 -17.8441 -17.8347 -17.7935 4.1326 4.1358 4.1392 4.1423 7.4498 7.4593 7.8760 7.8786 7.9967 7.9985 9.5301 9.5376 10.1231 10.1477 10.5933 10.6229 11.2284 11.2497 12.0001 12.0090 12.8609 12.8689 12.9625 12.9727 13.1666 13.1807 13.1823 13.1986 13.3820 13.4013 13.4243 13.4496 13.7656 13.8009 13.9069 13.9195 14.0115 14.0338 15.6417 15.6442 16.0316 16.0371 17.2649 17.2689 17.4507 17.4824 17.5541 17.5917 18.0313 18.0842 18.4783 18.5222 18.8478 18.8768 19.1411 19.2040 k = 0.2750 0.1588 0.3502 ( 4862 PWs) bands (ev): -44.4855 -44.4855 -44.4810 -44.4810 -44.4603 -44.4603 -20.4216 -20.4216 -20.3630 -20.3620 -20.3512 -20.3504 -18.0040 -17.9958 -17.9790 -17.9626 -17.9349 -17.9208 -17.9074 -17.8847 -17.8637 -17.8438 -17.8331 -17.7935 4.1900 4.1932 4.1980 4.2013 7.3467 7.3563 7.7745 7.7771 8.0202 8.0223 9.4890 9.4966 10.1417 10.1665 10.6076 10.6385 11.2102 11.2320 11.9797 11.9881 12.8557 12.8645 12.9977 13.0030 13.1705 13.1872 13.2243 13.2434 13.4228 13.4353 13.4713 13.4983 13.7421 13.7811 13.8939 13.9032 14.0194 14.0411 15.6204 15.6264 16.0466 16.0504 17.2261 17.2290 17.4292 17.4590 17.5370 17.5692 17.9948 18.0447 18.4779 18.5218 18.8317 18.8691 19.1463 19.2182 k = 0.2875 0.1660 0.3502 ( 4858 PWs) bands (ev): -44.4855 -44.4855 -44.4805 -44.4805 -44.4606 -44.4606 -20.4206 -20.4206 -20.3642 -20.3632 -20.3514 -20.3506 -18.0031 -17.9952 -17.9801 -17.9631 -17.9342 -17.9226 -17.9089 -17.8849 -17.8643 -17.8435 -17.8315 -17.7936 4.2493 4.2525 4.2591 4.2627 7.2435 7.2532 7.6729 7.6757 8.0438 8.0460 9.4520 9.4597 10.1603 10.1850 10.6225 10.6545 11.1926 11.2149 11.9557 11.9638 12.8498 12.8591 13.0091 13.0092 13.1724 13.1897 13.2760 13.2964 13.4489 13.4548 13.5187 13.5490 13.7171 13.7589 13.8916 13.8981 14.0393 14.0592 15.5983 15.6080 16.0660 16.0682 17.1940 17.1962 17.4147 17.4423 17.5248 17.5518 17.9632 18.0096 18.4798 18.5234 18.8141 18.8573 19.1612 19.2392 k = 0.3000 0.1732 0.3502 ( 4854 PWs) bands (ev): -44.4854 -44.4854 -44.4801 -44.4801 -44.4610 -44.4610 -20.4196 -20.4195 -20.3655 -20.3645 -20.3516 -20.3508 -18.0022 -17.9947 -17.9811 -17.9636 -17.9335 -17.9242 -17.9103 -17.8856 -17.8643 -17.8432 -17.8300 -17.7937 4.3103 4.3136 4.3225 4.3263 7.1407 7.1504 7.5717 7.5747 8.0665 8.0689 9.4192 9.4269 10.1788 10.2031 10.6380 10.6707 11.1758 11.1984 11.9295 11.9374 12.8437 12.8533 13.0018 13.0055 13.1736 13.1914 13.3263 13.3481 13.4603 13.4626 13.5586 13.5953 13.6902 13.7321 13.8979 13.9032 14.0766 14.0940 15.5747 15.5882 16.0906 16.0911 17.1686 17.1704 17.4069 17.4318 17.5173 17.5394 17.9368 17.9794 18.4837 18.5266 18.7956 18.8423 19.1850 19.2670 k = 0.3125 0.1804 0.3502 ( 4858 PWs) bands (ev): -44.4854 -44.4854 -44.4798 -44.4798 -44.4614 -44.4614 -20.4185 -20.4185 -20.3668 -20.3658 -20.3519 -20.3511 -18.0012 -17.9942 -17.9820 -17.9641 -17.9327 -17.9258 -17.9118 -17.8867 -17.8640 -17.8431 -17.8284 -17.7940 4.3729 4.3763 4.3881 4.3921 7.0384 7.0481 7.4711 7.4744 8.0878 8.0903 9.3906 9.3984 10.1969 10.2206 10.6538 10.6870 11.1598 11.1828 11.9025 11.9103 12.8376 12.8473 12.9847 12.9908 13.1746 13.1927 13.3735 13.3970 13.4626 13.4627 13.5847 13.6294 13.6629 13.7016 13.9082 13.9134 14.1329 14.1487 15.5491 15.5667 16.1195 16.1207 17.1494 17.1512 17.4055 17.4275 17.5142 17.5318 17.9158 17.9543 18.4889 18.5310 18.7767 18.8253 19.2163 19.3015 k = 0.3250 0.1876 0.3502 ( 4858 PWs) bands (ev): -44.4854 -44.4854 -44.4794 -44.4794 -44.4618 -44.4618 -20.4174 -20.4174 -20.3680 -20.3670 -20.3521 -20.3513 -18.0002 -17.9937 -17.9828 -17.9647 -17.9319 -17.9272 -17.9132 -17.8882 -17.8634 -17.8430 -17.8268 -17.7943 4.4369 4.4404 4.4558 4.4600 6.9367 6.9463 7.3715 7.3750 8.1074 8.1100 9.3664 9.3741 10.2145 10.2374 10.6696 10.7030 11.1449 11.1680 11.8761 11.8837 12.8317 12.8414 12.9588 12.9661 13.1755 13.1937 13.4166 13.4427 13.4600 13.4623 13.5926 13.6411 13.6501 13.6691 13.9180 13.9237 14.2046 14.2204 15.5213 15.5430 16.1535 16.1563 17.1359 17.1379 17.4103 17.4292 17.5153 17.5292 17.9005 17.9348 18.4951 18.5359 18.7578 18.8077 19.2520 19.3270 k = 0.3375 0.1949 0.3502 ( 4854 PWs) bands (ev): -44.4854 -44.4854 -44.4790 -44.4790 -44.4621 -44.4621 -20.4163 -20.4163 -20.3693 -20.3683 -20.3523 -20.3515 -17.9993 -17.9933 -17.9835 -17.9652 -17.9311 -17.9284 -17.9145 -17.8899 -17.8625 -17.8430 -17.8253 -17.7947 4.5021 4.5056 4.5255 4.5300 6.8357 6.8452 7.2731 7.2767 8.1251 8.1276 9.3463 9.3540 10.2314 10.2533 10.6853 10.7185 11.1312 11.1543 11.8512 11.8588 12.8260 12.8357 12.9246 12.9322 13.1765 13.1947 13.4411 13.4522 13.4775 13.4909 13.5773 13.6349 13.6350 13.6628 13.9243 13.9304 14.2853 14.3025 15.4917 15.5176 16.1928 16.1969 17.1271 17.1295 17.4211 17.4366 17.5206 17.5316 17.8906 17.9208 18.5015 18.5409 18.7396 18.7905 19.2747 19.2956 k = 0.3500 0.2021 0.3502 ( 4856 PWs) bands (ev): -44.4853 -44.4853 -44.4786 -44.4786 -44.4625 -44.4625 -20.4153 -20.4152 -20.3706 -20.3696 -20.3525 -20.3517 -17.9983 -17.9930 -17.9840 -17.9659 -17.9302 -17.9295 -17.9159 -17.8918 -17.8615 -17.8431 -17.8237 -17.7952 4.5682 4.5717 4.5973 4.6020 6.7353 6.7448 7.1761 7.1799 8.1405 8.1431 9.3303 9.3378 10.2476 10.2683 10.7006 10.7331 11.1189 11.1418 11.8288 11.8364 12.8205 12.8301 12.8825 12.8896 13.1779 13.1957 13.4411 13.4478 13.5156 13.5345 13.5497 13.6013 13.6395 13.6715 13.9252 13.9319 14.3683 14.3881 15.4609 15.4910 16.2365 16.2417 17.1221 17.1248 17.4378 17.4499 17.5300 17.5390 17.8861 17.9122 18.5075 18.5453 18.7226 18.7746 19.2567 19.2619 k = 0.3625 0.2093 0.3502 ( 4860 PWs) bands (ev): -44.4853 -44.4853 -44.4783 -44.4783 -44.4630 -44.4630 -20.4142 -20.4141 -20.3718 -20.3709 -20.3526 -20.3519 -17.9975 -17.9928 -17.9844 -17.9666 -17.9304 -17.9293 -17.9172 -17.8938 -17.8604 -17.8432 -17.8222 -17.7958 4.6349 4.6384 4.6709 4.6759 6.6357 6.6450 7.0811 7.0849 8.1538 8.1563 9.3180 9.3253 10.2630 10.2823 10.7152 10.7467 11.1081 11.1306 11.8098 11.8174 12.8152 12.8246 12.8337 12.8399 13.1796 13.1969 13.4380 13.4448 13.5193 13.5541 13.5695 13.5740 13.6512 13.6819 13.9203 13.9274 14.4483 14.4713 15.4301 15.4643 16.2834 16.2896 17.1200 17.1230 17.4604 17.4689 17.5434 17.5514 17.8866 17.9087 18.5123 18.5483 18.7077 18.7607 19.2247 19.2265 k = 0.3750 0.2165 0.3502 ( 4868 PWs) bands (ev): -44.4853 -44.4853 -44.4779 -44.4779 -44.4635 -44.4635 -20.4132 -20.4131 -20.3731 -20.3722 -20.3528 -20.3521 -17.9967 -17.9926 -17.9846 -17.9674 -17.9311 -17.9284 -17.9185 -17.8958 -17.8593 -17.8435 -17.8206 -17.7964 4.7017 4.7052 4.7465 4.7516 6.5367 6.5459 6.9883 6.9922 8.1648 8.1672 9.3092 9.3162 10.2773 10.2952 10.7289 10.7590 11.0990 11.1207 11.7947 11.8022 12.7788 12.7835 12.8109 12.8201 13.1819 13.1985 13.4354 13.4437 13.4893 13.5362 13.5902 13.6028 13.6753 13.6986 13.9096 13.9170 14.5210 14.5476 15.4012 15.4391 16.3321 16.3390 17.1199 17.1231 17.4887 17.4934 17.5604 17.5687 17.8915 17.9098 18.5148 18.5492 18.6957 18.7496 19.1894 19.1898 k = 0.3875 0.2237 0.3502 ( 4868 PWs) bands (ev): -44.4853 -44.4853 -44.4775 -44.4775 -44.4639 -44.4639 -20.4122 -20.4120 -20.3743 -20.3735 -20.3529 -20.3523 -17.9959 -17.9925 -17.9846 -17.9682 -17.9316 -17.9273 -17.9198 -17.8979 -17.8581 -17.8437 -17.8191 -17.7971 4.7681 4.7716 4.8237 4.8291 6.4383 6.4474 6.8984 6.9023 8.1739 8.1761 9.3034 9.3099 10.2907 10.3068 10.7414 10.7696 11.0917 11.1124 11.7839 11.7913 12.7202 12.7236 12.8065 12.8154 13.1848 13.2004 13.4333 13.4427 13.4631 13.5080 13.6153 13.6196 13.7125 13.7252 13.8937 13.9015 14.5830 14.6129 15.3764 15.4171 16.3810 16.3883 17.1214 17.1245 17.5227 17.5228 17.5806 17.5906 17.9002 17.9148 18.5139 18.5469 18.6874 18.7419 19.1525 19.1529 k = 0.4000 0.2309 0.3502 ( 4860 PWs) bands (ev): -44.4852 -44.4852 -44.4771 -44.4771 -44.4641 -44.4641 -20.4111 -20.4109 -20.3754 -20.3746 -20.3530 -20.3525 -17.9953 -17.9924 -17.9845 -17.9690 -17.9320 -17.9263 -17.9209 -17.8999 -17.8570 -17.8441 -17.8176 -17.7979 4.8336 4.8370 4.9027 4.9083 6.3408 6.3497 6.8120 6.8158 8.1810 8.1831 9.3001 9.3062 10.3029 10.3173 10.7526 10.7784 11.0863 11.1055 11.7777 11.7850 12.6593 12.6613 12.8026 12.8110 13.1882 13.2028 13.4262 13.4289 13.4570 13.4866 13.6305 13.6318 13.7557 13.7601 13.8740 13.8823 14.6318 14.6640 15.3578 15.4001 16.4286 16.4360 17.1239 17.1268 17.5558 17.5616 17.6038 17.6175 17.9121 17.9228 18.5085 18.5404 18.6838 18.7385 19.1156 19.1168 k = 0.4125 0.2382 0.3502 ( 4858 PWs) bands (ev): -44.4852 -44.4852 -44.4767 -44.4767 -44.4645 -44.4645 -20.4101 -20.4100 -20.3764 -20.3757 -20.3531 -20.3526 -17.9947 -17.9924 -17.9841 -17.9699 -17.9322 -17.9253 -17.9220 -17.9019 -17.8559 -17.8445 -17.8161 -17.7987 4.8972 4.9005 4.9833 4.9891 6.2439 6.2527 6.7299 6.7336 8.1865 8.1884 9.2988 9.3043 10.3139 10.3266 10.7622 10.7854 11.0826 11.1001 11.7761 11.7832 12.5977 12.5986 12.7992 12.8069 13.1921 13.2057 13.4012 13.4165 13.4646 13.4780 13.6391 13.6430 13.7959 13.7967 13.8545 13.8637 14.6659 14.6988 15.3474 15.3893 16.4733 16.4805 17.1271 17.1296 17.5899 17.6024 17.6315 17.6504 17.9263 17.9329 18.4975 18.5286 18.6857 18.7398 19.0803 19.0823 k = 0.4250 0.2454 0.3502 ( 4850 PWs) bands (ev): -44.4852 -44.4852 -44.4764 -44.4764 -44.4647 -44.4647 -20.4092 -20.4090 -20.3774 -20.3768 -20.3532 -20.3528 -17.9943 -17.9924 -17.9835 -17.9709 -17.9322 -17.9246 -17.9225 -17.9039 -17.8547 -17.8450 -17.8146 -17.7997 4.9579 4.9611 5.0654 5.0715 6.1478 6.1564 6.6533 6.6568 8.1905 8.1922 9.2990 9.3039 10.3237 10.3346 10.7704 10.7906 11.0806 11.0960 11.7790 11.7857 12.5372 12.5372 12.7962 12.8032 13.1966 13.2091 13.3773 13.3970 13.4767 13.4821 13.6466 13.6513 13.8064 13.8078 13.8630 13.8674 14.6854 14.7171 15.3457 15.3848 16.5139 16.5207 17.1309 17.1329 17.6215 17.6362 17.6708 17.6904 17.9419 17.9441 18.4802 18.5104 18.6934 18.7462 19.0480 19.0508 k = 0.4375 0.2526 0.3502 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4761 -44.4761 -44.4650 -44.4650 -20.4083 -20.4082 -20.3783 -20.3778 -20.3533 -20.3529 -17.9940 -17.9925 -17.9828 -17.9719 -17.9321 -17.9250 -17.9219 -17.9058 -17.8537 -17.8455 -17.8131 -17.8006 5.0145 5.0173 5.1489 5.1552 6.0525 6.0609 6.5834 6.5866 8.1935 8.1949 9.3002 9.3044 10.3322 10.3413 10.7771 10.7941 11.0800 11.0930 11.7857 11.7919 12.4789 12.4797 12.7938 12.7999 13.2015 13.2129 13.3556 13.3755 13.4924 13.4937 13.6532 13.6578 13.7824 13.7868 13.9011 13.9012 14.6922 14.7207 15.3513 15.3857 16.5494 16.5555 17.1348 17.1362 17.6488 17.6608 17.7215 17.7371 17.9555 17.9577 18.4565 18.4852 18.7071 18.7575 19.0199 19.0234 k = 0.4500 0.2598 0.3502 ( 4856 PWs) bands (ev): -44.4852 -44.4852 -44.4759 -44.4759 -44.4653 -44.4653 -20.4076 -20.4075 -20.3791 -20.3787 -20.3533 -20.3530 -17.9937 -17.9926 -17.9819 -17.9730 -17.9318 -17.9259 -17.9207 -17.9078 -17.8526 -17.8461 -17.8117 -17.8017 5.0652 5.0677 5.2338 5.2403 5.9580 5.9663 6.5219 6.5246 8.1955 8.1967 9.3020 9.3054 10.3394 10.3466 10.7826 10.7962 11.0804 11.0909 11.7954 11.8009 12.4260 12.4272 12.7919 12.7970 13.2067 13.2170 13.3367 13.3550 13.5100 13.5111 13.6586 13.6627 13.7530 13.7580 13.9386 13.9401 14.6898 14.7136 15.3617 15.3899 16.5792 16.5844 17.1385 17.1395 17.6716 17.6806 17.7762 17.7872 17.9663 17.9728 18.4273 18.4538 18.7262 18.7726 18.9970 19.0010 k = 0.4625 0.2670 0.3502 ( 4856 PWs) bands (ev): -44.4852 -44.4852 -44.4757 -44.4757 -44.4655 -44.4655 -20.4070 -20.4069 -20.3797 -20.3794 -20.3533 -20.3531 -17.9935 -17.9927 -17.9809 -17.9741 -17.9314 -17.9269 -17.9194 -17.9096 -17.8516 -17.8467 -17.8103 -17.8028 5.1081 5.1102 5.3199 5.3266 5.8645 5.8726 6.4707 6.4730 8.1969 8.1978 9.3039 9.3065 10.3452 10.3506 10.7868 10.7970 11.0815 11.0894 11.8066 11.8112 12.3805 12.3819 12.7905 12.7945 13.2122 13.2212 13.3212 13.3367 13.5298 13.5324 13.6623 13.6660 13.7232 13.7280 13.9724 13.9743 14.6821 14.7005 15.3739 15.3952 16.6028 16.6068 17.1418 17.1424 17.6899 17.6964 17.8299 17.8363 17.9760 17.9862 18.3949 18.4180 18.7493 18.7890 18.9797 18.9838 k = 0.4750 0.2742 0.3502 ( 4850 PWs) bands (ev): -44.4851 -44.4851 -44.4755 -44.4755 -44.4656 -44.4656 -20.4065 -20.4064 -20.3802 -20.3799 -20.3534 -20.3532 -17.9933 -17.9928 -17.9798 -17.9752 -17.9309 -17.9278 -17.9179 -17.9114 -17.8507 -17.8474 -17.8089 -17.8039 5.1412 5.1426 5.4070 5.4139 5.7723 5.7800 6.4322 6.4337 8.1978 8.1984 9.3056 9.3074 10.3497 10.3533 10.7902 10.7970 11.0829 11.0882 11.8175 11.8208 12.3452 12.3464 12.7898 12.7925 13.2177 13.2247 13.3098 13.3215 13.5518 13.5552 13.6622 13.6659 13.6969 13.7005 13.9994 14.0011 14.6736 14.6860 15.3853 15.3994 16.6199 16.6227 17.1444 17.1447 17.7035 17.7078 17.8771 17.8789 17.9849 17.9971 18.3639 18.3820 18.7733 18.8030 18.9682 18.9716 k = 0.4875 0.2815 0.3502 ( 4854 PWs) bands (ev): -44.4852 -44.4852 -44.4755 -44.4755 -44.4657 -44.4657 -20.4062 -20.4061 -20.3804 -20.3803 -20.3534 -20.3533 -17.9932 -17.9929 -17.9787 -17.9764 -17.9303 -17.9287 -17.9164 -17.9131 -17.8498 -17.8482 -17.8076 -17.8051 5.1622 5.1629 5.4941 5.5011 5.6821 5.6895 6.4081 6.4090 8.1983 8.1986 9.3069 9.3078 10.3527 10.3545 10.7928 10.7962 11.0844 11.0870 11.8257 11.8275 12.3227 12.3234 12.7896 12.7909 13.2225 13.2265 13.3038 13.3101 13.5735 13.5767 13.6528 13.6567 13.6830 13.6842 14.0171 14.0180 14.6679 14.6742 15.3941 15.4012 16.6305 16.6319 17.1461 17.1462 17.7122 17.7143 17.9087 17.9097 17.9940 18.0034 18.3418 18.3522 18.7942 18.8103 18.9620 18.9640 k = 0.5000 0.2887 0.3502 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4657 -44.4657 -20.4061 -20.4061 -20.3805 -20.3805 -20.3533 -20.3533 -17.9931 -17.9931 -17.9776 -17.9776 -17.9295 -17.9295 -17.9148 -17.9148 -17.8490 -17.8490 -17.8064 -17.8064 5.1696 5.1696 5.5654 5.5654 5.6170 5.6170 6.4002 6.4002 8.1986 8.1986 9.3076 9.3076 10.3543 10.3543 10.7948 10.7948 11.0858 11.0858 11.8294 11.8294 12.3152 12.3152 12.7900 12.7900 13.2257 13.2257 13.3039 13.3039 13.5863 13.5863 13.6454 13.6454 13.6809 13.6809 14.0236 14.0236 14.6678 14.6678 15.3995 15.3995 16.6345 16.6345 17.1467 17.1467 17.7159 17.7159 17.9202 17.9202 18.0020 18.0020 18.3370 18.3370 18.8075 18.8075 18.9607 18.9607 k = 0.5000 0.2887 0.3502 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4657 -44.4657 -20.4061 -20.4061 -20.3805 -20.3805 -20.3533 -20.3533 -17.9931 -17.9931 -17.9776 -17.9776 -17.9295 -17.9295 -17.9148 -17.9148 -17.8490 -17.8490 -17.8064 -17.8064 5.1696 5.1696 5.5654 5.5654 5.6170 5.6170 6.4002 6.4002 8.1986 8.1986 9.3076 9.3076 10.3543 10.3543 10.7948 10.7948 11.0858 11.0858 11.8294 11.8294 12.3152 12.3152 12.7900 12.7900 13.2257 13.2257 13.3039 13.3039 13.5863 13.5863 13.6454 13.6454 13.6809 13.6809 14.0236 14.0236 14.6678 14.6678 15.3995 15.3995 16.6345 16.6345 17.1467 17.1467 17.7159 17.7159 17.9202 17.9202 18.0020 18.0020 18.3370 18.3370 18.8075 18.8075 18.9607 18.9607 k = 0.4928 0.3012 0.3502 ( 4858 PWs) bands (ev): -44.4852 -44.4852 -44.4755 -44.4755 -44.4657 -44.4657 -20.4061 -20.4060 -20.3806 -20.3804 -20.3534 -20.3533 -17.9945 -17.9916 -17.9778 -17.9774 -17.9300 -17.9291 -17.9151 -17.9146 -17.8499 -17.8479 -17.8065 -17.8063 5.1704 5.1707 5.5658 5.5666 5.6174 5.6181 6.4013 6.4018 8.1944 8.1952 9.3023 9.3024 10.3534 10.3539 10.7948 10.7952 11.0801 11.0807 11.8398 11.8402 12.3209 12.3213 12.7896 12.7903 13.2249 13.2261 13.2991 13.2996 13.5834 13.5850 13.6169 13.6223 13.6857 13.6875 14.0467 14.0520 14.6695 14.6696 15.3975 15.3998 16.6315 16.6321 17.1460 17.1476 17.7128 17.7184 17.9031 17.9332 17.9932 18.0217 18.3361 18.3403 18.8072 18.8092 18.9593 18.9615 k = 0.4855 0.3138 0.3502 ( 4862 PWs) bands (ev): -44.4852 -44.4852 -44.4755 -44.4755 -44.4658 -44.4658 -20.4061 -20.4059 -20.3807 -20.3805 -20.3535 -20.3533 -17.9959 -17.9901 -17.9780 -17.9772 -17.9305 -17.9287 -17.9154 -17.9144 -17.8509 -17.8468 -17.8067 -17.8062 5.1732 5.1738 5.5679 5.5695 5.6193 5.6208 6.4051 6.4061 8.1827 8.1842 9.2864 9.2867 10.3513 10.3523 10.7952 10.7960 11.0647 11.0660 11.8702 11.8710 12.3382 12.3388 12.7892 12.7907 13.2236 13.2259 13.2865 13.2872 13.5441 13.5463 13.5873 13.5917 13.7023 13.7047 14.1073 14.1161 14.6746 14.6747 15.3937 15.3983 16.6232 16.6244 17.1456 17.1486 17.7092 17.7203 17.8867 17.9337 18.0034 18.0474 18.3377 18.3460 18.8083 18.8122 18.9578 18.9617 k = 0.4783 0.3263 0.3502 ( 4854 PWs) bands (ev): -44.4851 -44.4851 -44.4754 -44.4754 -44.4658 -44.4658 -20.4059 -20.4058 -20.3809 -20.3805 -20.3535 -20.3533 -17.9973 -17.9886 -17.9781 -17.9770 -17.9310 -17.9284 -17.9157 -17.9142 -17.8517 -17.8457 -17.8069 -17.8062 5.1779 5.1788 5.5716 5.5740 5.6228 5.6249 6.4116 6.4131 8.1634 8.1657 9.2605 9.2609 10.3482 10.3497 10.7963 10.7973 11.0424 11.0441 11.9177 11.9186 12.3661 12.3670 12.7887 12.7910 13.2210 13.2239 13.2685 13.2690 13.4596 13.4641 13.5807 13.5854 13.7292 13.7314 14.1844 14.1955 14.6829 14.6832 15.3881 15.3951 16.6100 16.6116 17.1455 17.1498 17.7053 17.7215 17.8720 17.9254 18.0285 18.0776 18.3417 18.3538 18.8108 18.8167 18.9574 18.9625 k = 0.4710 0.3389 0.3502 ( 4854 PWs) bands (ev): -44.4851 -44.4851 -44.4753 -44.4753 -44.4659 -44.4659 -20.4058 -20.4056 -20.3811 -20.3806 -20.3536 -20.3533 -17.9986 -17.9871 -17.9783 -17.9768 -17.9315 -17.9281 -17.9161 -17.9140 -17.8525 -17.8445 -17.8072 -17.8062 5.1845 5.1858 5.5769 5.5801 5.6277 5.6306 6.4207 6.4227 8.1368 8.1398 9.2253 9.2259 10.3447 10.3466 10.7984 10.7995 11.0160 11.0180 11.9784 11.9793 12.4036 12.4048 12.7882 12.7914 13.2144 13.2167 13.2474 13.2485 13.3697 13.3746 13.5722 13.5790 13.7643 13.7656 14.2670 14.2802 14.6943 14.6948 15.3806 15.3900 16.5921 16.5940 17.1457 17.1510 17.7011 17.7221 17.8593 17.9151 18.0609 18.1114 18.3480 18.3637 18.8146 18.8225 18.9595 18.9650 k = 0.4638 0.3514 0.3502 ( 4858 PWs) bands (ev): -44.4851 -44.4851 -44.4752 -44.4752 -44.4660 -44.4660 -20.4056 -20.4053 -20.3814 -20.3807 -20.3537 -20.3534 -17.9999 -17.9856 -17.9784 -17.9766 -17.9321 -17.9279 -17.9164 -17.9139 -17.8532 -17.8433 -17.8075 -17.8063 5.1931 5.1946 5.5836 5.5876 5.6341 5.6376 6.4323 6.4348 8.1029 8.1067 9.1818 9.1825 10.3413 10.3437 10.8015 10.8027 10.9880 10.9903 12.0488 12.0495 12.4490 12.4503 12.7877 12.7917 13.1902 13.1944 13.2239 13.2247 13.2936 13.2993 13.5612 13.5705 13.8053 13.8056 14.3503 14.3656 14.7087 14.7095 15.3711 15.3831 16.5701 16.5723 17.1462 17.1524 17.6970 17.7221 17.8482 17.9051 18.0974 18.1483 18.3565 18.3753 18.8199 18.8298 18.9656 18.9709 k = 0.4565 0.3640 0.3502 ( 4858 PWs) bands (ev): -44.4852 -44.4852 -44.4751 -44.4751 -44.4661 -44.4661 -20.4054 -20.4050 -20.3817 -20.3809 -20.3538 -20.3534 -18.0011 -17.9841 -17.9785 -17.9764 -17.9326 -17.9278 -17.9168 -17.9138 -17.8539 -17.8420 -17.8078 -17.8064 5.2037 5.2054 5.5917 5.5966 5.6419 5.6461 6.4465 6.4495 8.0621 8.0666 9.1309 9.1318 10.3388 10.3415 10.8060 10.8072 10.9603 10.9627 12.1257 12.1261 12.4998 12.5015 12.7873 12.7922 13.1218 13.1306 13.1947 13.2027 13.2604 13.2697 13.5483 13.5602 13.8498 13.8505 14.4318 14.4496 14.7258 14.7272 15.3595 15.3741 16.5445 16.5468 17.1470 17.1539 17.6930 17.7217 17.8386 17.8959 18.1365 18.1872 18.3670 18.3884 18.8267 18.8385 18.9771 18.9815 k = 0.4493 0.3765 0.3502 ( 4858 PWs) bands (ev): -44.4851 -44.4851 -44.4750 -44.4750 -44.4663 -44.4663 -20.4051 -20.4046 -20.3821 -20.3812 -20.3539 -20.3535 -18.0023 -17.9826 -17.9787 -17.9762 -17.9332 -17.9277 -17.9172 -17.9138 -17.8545 -17.8407 -17.8082 -17.8066 5.2161 5.2182 5.6010 5.6068 5.6510 5.6559 6.4630 6.4666 8.0147 8.0199 9.0740 9.0750 10.3378 10.3409 10.8120 10.8131 10.9338 10.9363 12.2064 12.2066 12.5529 12.5552 12.7872 12.7930 13.0296 13.0396 13.1717 13.1821 13.2531 13.2648 13.5339 13.5483 13.8972 13.8989 14.5100 14.5306 14.7458 14.7478 15.3457 15.3632 16.5158 16.5181 17.1481 17.1556 17.6893 17.7210 17.8303 17.8875 18.1772 18.2274 18.3792 18.4026 18.8350 18.8486 18.9947 18.9981 k = 0.4420 0.3891 0.3502 ( 4862 PWs) bands (ev): -44.4852 -44.4852 -44.4749 -44.4749 -44.4664 -44.4664 -20.4047 -20.4042 -20.3825 -20.3815 -20.3541 -20.3536 -18.0034 -17.9811 -17.9788 -17.9761 -17.9338 -17.9277 -17.9176 -17.9138 -17.8551 -17.8393 -17.8086 -17.8068 5.2305 5.2329 5.6114 5.6181 5.6614 5.6669 6.4819 6.4860 7.9611 7.9670 9.0122 9.0134 10.3391 10.3425 10.8194 10.8203 10.9092 10.9117 12.2882 12.2890 12.6012 12.6052 12.7887 12.7947 12.9371 12.9486 13.1521 13.1640 13.2531 13.2663 13.5183 13.5351 13.9469 13.9495 14.5833 14.6073 14.7689 14.7716 15.3296 15.3503 16.4845 16.4868 17.1497 17.1576 17.6861 17.7200 17.8231 17.8799 18.2185 18.2679 18.3929 18.4178 18.8447 18.8600 19.0187 19.0210 k = 0.4348 0.4016 0.3502 ( 4858 PWs) bands (ev): -44.4852 -44.4852 -44.4747 -44.4747 -44.4665 -44.4665 -20.4043 -20.4038 -20.3830 -20.3818 -20.3542 -20.3537 -18.0045 -17.9797 -17.9788 -17.9758 -17.9344 -17.9278 -17.9179 -17.9138 -17.8556 -17.8379 -17.8090 -17.8071 5.2469 5.2495 5.6227 5.6302 5.6729 5.6791 6.5029 6.5076 7.9019 7.9085 8.9469 8.9482 10.3432 10.3469 10.8279 10.8287 10.8872 10.8894 12.3690 12.3706 12.6275 12.6353 12.7969 12.7985 12.8627 12.8736 13.1363 13.1497 13.2563 13.2705 13.5018 13.5209 13.9983 14.0019 14.6502 14.6776 14.7962 14.7993 15.3111 15.3353 16.4510 16.4533 17.1518 17.1600 17.6837 17.7191 17.8170 17.8730 18.2595 18.3078 18.4078 18.4336 18.8556 18.8725 19.0479 19.0491 k = 0.4275 0.4142 0.3502 ( 4858 PWs) bands (ev): -44.4851 -44.4851 -44.4745 -44.4745 -44.4667 -44.4667 -20.4039 -20.4033 -20.3834 -20.3822 -20.3543 -20.3538 -18.0055 -17.9789 -17.9784 -17.9755 -17.9350 -17.9279 -17.9182 -17.9138 -17.8560 -17.8364 -17.8094 -17.8074 5.2652 5.2680 5.6345 5.6430 5.6855 5.6923 6.5259 6.5312 7.8377 7.8449 8.8792 8.8806 10.3506 10.3545 10.8358 10.8372 10.8690 10.8704 12.4466 12.4489 12.6030 12.6120 12.7974 12.8102 12.8451 12.8469 13.1253 13.1401 13.2616 13.2766 13.4848 13.5062 14.0510 14.0554 14.7087 14.7383 14.8303 14.8318 15.2901 15.3184 16.4159 16.4181 17.1544 17.1628 17.6824 17.7186 17.8120 17.8671 18.2997 18.3465 18.4235 18.4499 18.8673 18.8856 19.0780 19.0786 k = 0.4203 0.4267 0.3502 ( 4862 PWs) bands (ev): -44.4852 -44.4852 -44.4743 -44.4743 -44.4669 -44.4669 -20.4033 -20.4027 -20.3840 -20.3827 -20.3545 -20.3539 -18.0064 -17.9789 -17.9773 -17.9751 -17.9355 -17.9281 -17.9185 -17.9139 -17.8564 -17.8350 -17.8099 -17.8079 5.2854 5.2884 5.6467 5.6561 5.6990 5.7064 6.5508 6.5567 7.7690 7.7769 8.8104 8.8119 10.3617 10.3659 10.8354 10.8387 10.8614 10.8624 12.5152 12.5187 12.5380 12.5389 12.7925 12.8017 12.8843 12.8853 13.1207 13.1366 13.2692 13.2844 13.4676 13.4911 14.1046 14.1097 14.7574 14.7858 14.8697 14.8740 15.2667 15.2999 16.3795 16.3818 17.1576 17.1661 17.6822 17.7185 17.8082 17.8622 18.3389 18.3836 18.4399 18.4664 18.8789 18.8983 19.0903 19.0946 k = 0.4130 0.4393 0.3502 ( 4870 PWs) bands (ev): -44.4853 -44.4853 -44.4741 -44.4741 -44.4672 -44.4672 -20.4028 -20.4021 -20.3846 -20.3832 -20.3546 -20.3541 -18.0073 -17.9789 -17.9766 -17.9744 -17.9361 -17.9284 -17.9188 -17.9140 -17.8568 -17.8335 -17.8104 -17.8083 5.3076 5.3108 5.6589 5.6692 5.7131 5.7211 6.5773 6.5839 7.6968 7.7053 8.7417 8.7433 10.3766 10.3811 10.8229 10.8264 10.8686 10.8704 12.4409 12.4457 12.5829 12.5884 12.7907 12.7960 12.9376 12.9384 13.1242 13.1402 13.2792 13.2941 13.4505 13.4760 14.1587 14.1646 14.7968 14.8223 14.9112 14.9246 15.2410 15.2803 16.3423 16.3446 17.1614 17.1699 17.6837 17.7195 17.8057 17.8586 18.3769 18.4189 18.4567 18.4829 18.8883 18.9069 19.0177 19.0295 k = 0.4058 0.4518 0.3502 ( 4872 PWs) bands (ev): -44.4853 -44.4853 -44.4739 -44.4739 -44.4675 -44.4675 -20.4022 -20.4015 -20.3852 -20.3838 -20.3547 -20.3542 -18.0081 -17.9789 -17.9762 -17.9734 -17.9366 -17.9288 -17.9190 -17.9142 -17.8571 -17.8320 -17.8109 -17.8088 5.3316 5.3350 5.6708 5.6819 5.7277 5.7363 6.6054 6.6126 7.6217 7.6308 8.6742 8.6758 10.3956 10.4003 10.8083 10.8117 10.8803 10.8824 12.3464 12.3492 12.6371 12.6421 12.7897 12.7932 12.9913 12.9930 13.1373 13.1519 13.2920 13.3059 13.4337 13.4611 14.2133 14.2199 14.8294 14.8529 14.9521 14.9756 15.2134 15.2606 16.3048 16.3072 17.1657 17.1741 17.6870 17.7217 17.8046 17.8563 18.4140 18.4520 18.4735 18.4996 18.8854 18.8917 18.9667 18.9673 k = 0.3986 0.4644 0.3502 ( 4856 PWs) bands (ev): -44.4852 -44.4852 -44.4735 -44.4735 -44.4676 -44.4676 -20.4015 -20.4008 -20.3858 -20.3844 -20.3548 -20.3543 -18.0088 -17.9788 -17.9760 -17.9723 -17.9370 -17.9292 -17.9192 -17.9143 -17.8573 -17.8304 -17.8113 -17.8093 5.3576 5.3611 5.6818 5.6938 5.7424 5.7517 6.6347 6.6427 7.5446 7.5543 8.6091 8.6108 10.4187 10.4235 10.7943 10.7976 10.8926 10.8952 12.2516 12.2533 12.6800 12.6838 12.7890 12.7917 13.0417 13.0439 13.1602 13.1715 13.3080 13.3200 13.4175 13.4465 14.2680 14.2752 14.8576 14.8811 14.9882 15.0221 15.1851 15.2424 16.2676 16.2701 17.1704 17.1785 17.6926 17.7257 17.8051 17.8554 18.4504 18.4817 18.4900 18.5174 18.8355 18.8452 18.9460 18.9531 k = 0.3913 0.4769 0.3502 ( 4848 PWs) bands (ev): -44.4851 -44.4851 -44.4732 -44.4732 -44.4678 -44.4678 -20.4008 -20.4000 -20.3865 -20.3851 -20.3549 -20.3544 -18.0094 -17.9787 -17.9758 -17.9713 -17.9373 -17.9297 -17.9193 -17.9145 -17.8575 -17.8288 -17.8118 -17.8099 5.3855 5.3890 5.6915 5.7043 5.7570 5.7668 6.6652 6.6739 7.4664 7.4767 8.5476 8.5491 10.4457 10.4507 10.7814 10.7845 10.9041 10.9072 12.1594 12.1603 12.7120 12.7134 12.7882 12.7909 13.0865 13.0899 13.1907 13.1973 13.3275 13.3368 13.4024 13.4326 14.3228 14.3305 14.8821 14.9080 15.0154 15.0578 15.1605 15.2284 16.2312 16.2338 17.1753 17.1831 17.7006 17.7318 17.8071 17.8560 18.4863 18.5045 18.5057 18.5387 18.7730 18.7857 18.8624 18.8645 k = 0.3841 0.4895 0.3502 ( 4848 PWs) bands (ev): -44.4852 -44.4852 -44.4729 -44.4729 -44.4681 -44.4681 -20.4001 -20.3992 -20.3873 -20.3858 -20.3550 -20.3545 -18.0100 -17.9786 -17.9757 -17.9704 -17.9376 -17.9302 -17.9193 -17.9148 -17.8576 -17.8272 -17.8124 -17.8105 5.4152 5.4187 5.6993 5.7128 5.7709 5.7814 6.6967 6.7060 7.3881 7.3991 8.4906 8.4920 10.4765 10.4817 10.7696 10.7725 10.9138 10.9174 12.0717 12.0721 12.7325 12.7345 12.7873 12.7903 13.1248 13.1310 13.2248 13.2261 13.3498 13.3561 13.3891 13.4194 14.3775 14.3858 14.9021 14.9340 15.0311 15.0675 15.1543 15.2214 16.1965 16.1992 17.1803 17.1875 17.7115 17.7404 17.8105 17.8578 18.5177 18.5193 18.5225 18.5636 18.7176 18.7280 18.7713 18.7747 k = 0.3768 0.5020 0.3502 ( 4844 PWs) bands (ev): -44.4851 -44.4851 -44.4726 -44.4726 -44.4683 -44.4683 -20.3993 -20.3984 -20.3881 -20.3866 -20.3550 -20.3546 -18.0105 -17.9784 -17.9757 -17.9696 -17.9377 -17.9308 -17.9193 -17.9151 -17.8577 -17.8256 -17.8129 -17.8112 5.4466 5.4500 5.7046 5.7187 5.7838 5.7947 6.7289 6.7389 7.3108 7.3223 8.4391 8.4404 10.5109 10.5162 10.7590 10.7618 10.9203 10.9243 11.9905 11.9905 12.7441 12.7496 12.7863 12.7897 13.1568 13.1671 13.2543 13.2583 13.3705 13.3772 13.3813 13.4074 14.4321 14.4408 14.9147 14.9585 15.0373 15.0461 15.1711 15.2219 16.1641 16.1668 17.1851 17.1916 17.7253 17.7517 17.8150 17.8603 18.5204 18.5307 18.5556 18.5828 18.6772 18.6777 18.6895 18.6975 k = 0.3696 0.5146 0.3502 ( 4848 PWs) bands (ev): -44.4851 -44.4851 -44.4724 -44.4724 -44.4687 -44.4687 -20.3985 -20.3976 -20.3890 -20.3874 -20.3551 -20.3547 -18.0109 -17.9782 -17.9757 -17.9689 -17.9377 -17.9315 -17.9192 -17.9154 -17.8578 -17.8241 -17.8134 -17.8119 5.4798 5.4829 5.7068 5.7215 5.7951 5.8062 6.7619 6.7726 7.2357 7.2477 8.3942 8.3953 10.5484 10.5539 10.7498 10.7523 10.9218 10.9263 11.9174 11.9178 12.7506 12.7596 12.7852 12.7889 13.1833 13.1981 13.2772 13.2884 13.3689 13.3948 13.3996 13.4007 14.4863 14.4956 14.9149 14.9759 15.0177 15.0419 15.1919 15.2266 16.1350 16.1378 17.1896 17.1953 17.7417 17.7656 17.8200 17.8628 18.5100 18.5337 18.5683 18.5752 18.6269 18.6464 18.6488 18.6709 k = 0.3623 0.5271 0.3502 ( 4846 PWs) bands (ev): -44.4851 -44.4851 -44.4720 -44.4720 -44.4690 -44.4690 -20.3976 -20.3967 -20.3898 -20.3883 -20.3551 -20.3548 -18.0113 -17.9780 -17.9758 -17.9684 -17.9376 -17.9322 -17.9190 -17.9158 -17.8579 -17.8225 -17.8140 -17.8127 5.5144 5.5172 5.7051 5.7203 5.8041 5.8152 6.7957 6.8069 7.1639 7.1764 8.3566 8.3575 10.5884 10.5940 10.7423 10.7445 10.9167 10.9216 11.8550 11.8556 12.7541 12.7661 12.7842 12.7877 13.2055 13.2241 13.2905 13.3134 13.3687 13.3873 13.4193 13.4207 14.5402 14.5501 14.8993 14.9567 15.0201 15.0520 15.2082 15.2310 16.1101 16.1128 17.1935 17.1982 17.7604 17.7817 17.8247 17.8644 18.4857 18.5189 18.5245 18.5464 18.6083 18.6308 18.6571 18.6956 k = 0.3551 0.5397 0.3502 ( 4850 PWs) bands (ev): -44.4850 -44.4850 -44.4717 -44.4717 -44.4695 -44.4695 -20.3967 -20.3958 -20.3908 -20.3892 -20.3551 -20.3549 -18.0115 -17.9777 -17.9759 -17.9681 -17.9373 -17.9329 -17.9188 -17.9162 -17.8579 -17.8209 -17.8145 -17.8135 5.5501 5.5522 5.6990 5.7148 5.8103 5.8208 6.8302 6.8419 7.0971 7.1098 8.3270 8.3276 10.6294 10.6348 10.7380 10.7396 10.9032 10.9084 11.8053 11.8059 12.7559 12.7705 12.7831 12.7862 13.2246 13.2453 13.2929 13.3312 13.3745 13.3818 13.4358 13.4379 14.5933 14.6039 14.8709 14.9154 15.0404 15.0679 15.2176 15.2318 16.0904 16.0927 17.1968 17.2004 17.7802 17.7988 17.8280 17.8640 18.4532 18.4870 18.4874 18.5136 18.6071 18.6258 18.6928 18.7304 k = 0.3478 0.5522 0.3502 ( 4854 PWs) bands (ev): -44.4850 -44.4850 -44.4714 -44.4714 -44.4698 -44.4698 -20.3958 -20.3949 -20.3918 -20.3901 -20.3551 -20.3550 -18.0117 -17.9774 -17.9761 -17.9678 -17.9368 -17.9337 -17.9185 -17.9167 -17.8579 -17.8193 -17.8151 -17.8144 5.5861 5.5872 5.6879 5.7046 5.8136 5.8225 6.8655 6.8776 7.0365 7.0494 8.3058 8.3062 10.6669 10.6711 10.7417 10.7418 10.8798 10.8852 11.7697 11.7703 12.7568 12.7736 12.7821 12.7846 13.2411 13.2618 13.2884 13.3402 13.3810 13.3817 13.4478 13.4498 14.6454 14.6564 14.8342 14.8703 15.0606 15.0861 15.2203 15.2279 16.0764 16.0782 17.1993 17.2018 17.7993 17.8148 17.8292 17.8617 18.4235 18.4607 18.4617 18.4880 18.6114 18.6245 18.7345 18.7688 k = 0.3406 0.5648 0.3502 ( 4862 PWs) bands (ev): -44.4851 -44.4851 -44.4711 -44.4711 -44.4703 -44.4703 -20.3948 -20.3942 -20.3928 -20.3909 -20.3551 -20.3550 -18.0119 -17.9771 -17.9764 -17.9677 -17.9362 -17.9346 -17.9182 -17.9172 -17.8580 -17.8178 -17.8157 -17.8153 5.6200 5.6200 5.6716 5.6904 5.8144 5.8202 6.9018 6.9142 6.9841 6.9968 8.2931 8.2933 10.6890 10.6904 10.7625 10.7658 10.8464 10.8519 11.7490 11.7493 12.7571 12.7758 12.7814 12.7831 13.2549 13.2727 13.2811 13.3424 13.3839 13.3862 13.4547 13.4562 14.6956 14.7053 14.7926 14.8256 15.0765 15.1024 15.2182 15.2207 16.0683 16.0693 17.2011 17.2023 17.8152 17.8259 17.8283 17.8590 18.4046 18.4463 18.4468 18.4700 18.6165 18.6232 18.7795 18.8076 k = 0.3333 0.5774 0.3502 ( 4866 PWs) bands (ev): -44.4851 -44.4851 -44.4707 -44.4707 -44.4707 -44.4707 -20.3938 -20.3938 -20.3938 -20.3913 -20.3551 -20.3551 -18.0119 -17.9767 -17.9767 -17.9677 -17.9354 -17.9354 -17.9177 -17.9177 -17.8580 -17.8163 -17.8162 -17.8162 5.6404 5.6404 5.6561 5.6802 5.8158 5.8158 6.9338 6.9466 6.9466 6.9585 8.2890 8.2890 10.6937 10.6937 10.8014 10.8054 10.8054 10.8121 11.7425 11.7425 12.7572 12.7766 12.7817 12.7817 13.2621 13.2764 13.2764 13.3426 13.3866 13.3866 13.4573 13.4573 14.7344 14.7344 14.7568 14.7978 15.0831 15.1099 15.2161 15.2161 16.0661 16.0661 17.2021 17.2021 17.8229 17.8279 17.8279 17.8583 18.3984 18.4423 18.4423 18.4632 18.6205 18.6205 18.8241 18.8309 k = 0.3333 0.5774 0.3502 ( 4866 PWs) bands (ev): -44.4851 -44.4851 -44.4707 -44.4707 -44.4707 -44.4707 -20.3938 -20.3938 -20.3938 -20.3913 -20.3551 -20.3551 -18.0119 -17.9767 -17.9767 -17.9677 -17.9354 -17.9354 -17.9177 -17.9177 -17.8580 -17.8163 -17.8162 -17.8162 5.6404 5.6404 5.6561 5.6802 5.8158 5.8158 6.9338 6.9466 6.9466 6.9585 8.2890 8.2890 10.6937 10.6937 10.8014 10.8054 10.8054 10.8121 11.7425 11.7425 12.7572 12.7766 12.7817 12.7817 13.2621 13.2764 13.2764 13.3426 13.3866 13.3866 13.4573 13.4573 14.7344 14.7344 14.7568 14.7978 15.0831 15.1099 15.2161 15.2161 16.0661 16.0661 17.2021 17.2021 17.8229 17.8279 17.8279 17.8583 18.3984 18.4423 18.4423 18.4632 18.6205 18.6205 18.8241 18.8309 k = 0.3261 0.5648 0.3502 ( 4860 PWs) bands (ev): -44.4851 -44.4851 -44.4710 -44.4710 -44.4703 -44.4703 -20.3948 -20.3942 -20.3927 -20.3909 -20.3551 -20.3551 -18.0119 -17.9771 -17.9763 -17.9677 -17.9363 -17.9345 -17.9182 -17.9171 -17.8580 -17.8171 -17.8169 -17.8147 5.6176 5.6255 5.6643 5.6876 5.8165 5.8245 6.9066 6.9183 6.9803 6.9925 8.2930 8.2931 10.6920 10.6923 10.7527 10.7579 10.8529 10.8591 11.7484 11.7488 12.7571 12.7760 12.7807 12.7837 13.2557 13.2721 13.2805 13.3419 13.3827 13.3874 13.4547 13.4578 14.6962 14.7052 14.7924 14.8250 15.0750 15.1005 15.2203 15.2225 16.0680 16.0692 17.2011 17.2023 17.8200 17.8220 17.8288 17.8569 18.4039 18.4439 18.4475 18.4701 18.6168 18.6234 18.7790 18.7983 k = 0.3188 0.5522 0.3502 ( 4860 PWs) bands (ev): -44.4851 -44.4851 -44.4714 -44.4714 -44.4699 -44.4699 -20.3959 -20.3951 -20.3916 -20.3900 -20.3552 -20.3550 -18.0117 -17.9777 -17.9758 -17.9677 -17.9371 -17.9334 -17.9188 -17.9165 -17.8580 -17.8181 -17.8175 -17.8132 5.5834 5.5933 5.6575 5.6830 5.8336 5.8471 6.8850 6.8955 7.0213 7.0333 8.3047 8.3049 10.6888 10.6890 10.6967 10.7018 10.9055 10.9123 11.7651 11.7659 12.7569 12.7745 12.7802 12.7865 13.2440 13.2610 13.2831 13.3369 13.3753 13.3869 13.4510 13.4593 14.6472 14.6569 14.8325 14.8674 15.0511 15.0750 15.2330 15.2405 16.0743 16.0768 17.1996 17.2020 17.8119 17.8142 17.8230 17.8508 18.4175 18.4485 18.4604 18.4883 18.6146 18.6260 18.7292 18.7430 k = 0.3116 0.5397 0.3502 ( 4860 PWs) bands (ev): -44.4851 -44.4851 -44.4718 -44.4718 -44.4694 -44.4694 -20.3970 -20.3962 -20.3905 -20.3889 -20.3552 -20.3549 -18.0116 -17.9784 -17.9754 -17.9678 -17.9380 -17.9323 -17.9193 -17.9157 -17.8580 -17.8191 -17.8182 -17.8117 5.5431 5.5534 5.6315 5.6562 5.8681 5.8829 6.8743 6.8835 7.0646 7.0763 8.3234 8.3236 10.6361 10.6410 10.6866 10.6867 10.9597 10.9668 11.7908 11.7920 12.7564 12.7727 12.7803 12.7900 13.2298 13.2444 13.2784 13.3234 13.3657 13.3862 13.4495 13.4649 14.5966 14.6053 14.8653 14.9072 15.0164 15.0413 15.2517 15.2651 16.0840 16.0879 17.1977 17.2011 17.7956 17.7969 17.8199 17.8423 18.4302 18.4507 18.4788 18.5132 18.6206 18.6245 18.6823 18.6890 k = 0.3043 0.5271 0.3502 ( 4868 PWs) bands (ev): -44.4852 -44.4852 -44.4723 -44.4723 -44.4691 -44.4691 -20.3982 -20.3973 -20.3893 -20.3878 -20.3552 -20.3548 -18.0113 -17.9792 -17.9750 -17.9678 -17.9388 -17.9312 -17.9199 -17.9149 -17.8580 -17.8202 -17.8188 -17.8103 5.4973 5.5075 5.5910 5.6136 5.9127 5.9273 6.8743 6.8820 7.1100 7.1212 8.3482 8.3483 10.5744 10.5793 10.6839 10.6843 11.0141 11.0216 11.8236 11.8252 12.7555 12.7705 12.7811 12.7942 13.2132 13.2237 13.2640 13.3003 13.3556 13.3863 13.4531 13.4755 14.5451 14.5525 14.8831 14.9306 14.9854 15.0100 15.2740 15.2931 16.0964 16.1017 17.1955 17.1999 17.7673 17.7680 17.8220 17.8382 18.4272 18.4424 18.5035 18.5412 18.5970 18.6183 18.6458 18.6895 k = 0.2971 0.5146 0.3502 ( 4864 PWs) bands (ev): -44.4851 -44.4851 -44.4727 -44.4727 -44.4686 -44.4686 -20.3993 -20.3985 -20.3881 -20.3866 -20.3551 -20.3547 -18.0110 -17.9801 -17.9745 -17.9678 -17.9396 -17.9299 -17.9205 -17.9139 -17.8581 -17.8212 -17.8195 -17.8089 5.4465 5.4564 5.5401 5.5606 5.9630 5.9772 6.8842 6.8903 7.1575 7.1682 8.3780 8.3780 10.5127 10.5176 10.6818 10.6824 11.0680 11.0759 11.8622 11.8641 12.7541 12.7680 12.7828 12.7988 13.1942 13.1998 13.2397 13.2695 13.3468 13.3875 13.4623 13.4901 14.4932 14.4992 14.8719 14.9013 14.9955 14.9966 15.2984 15.3231 16.1106 16.1173 17.1933 17.1983 17.7284 17.7288 17.8284 17.8407 18.4022 18.4188 18.5319 18.5446 18.5617 18.5789 18.6865 18.7246 k = 0.2899 0.5020 0.3502 ( 4860 PWs) bands (ev): -44.4852 -44.4852 -44.4731 -44.4731 -44.4681 -44.4681 -20.4005 -20.3997 -20.3869 -20.3854 -20.3551 -20.3546 -18.0106 -17.9811 -17.9740 -17.9677 -17.9404 -17.9287 -17.9211 -17.9128 -17.8582 -17.8223 -17.8201 -17.8075 5.3912 5.4008 5.4815 5.4999 6.0171 6.0309 6.9029 6.9074 7.2072 7.2172 8.4116 8.4118 10.4526 10.4575 10.6801 10.6811 11.1204 11.1288 11.9051 11.9073 12.7522 12.7650 12.7853 12.8041 13.1728 13.1736 13.2079 13.2337 13.3402 13.3897 13.4760 13.5076 14.4412 14.4457 14.8322 14.8481 15.0011 15.0183 15.3242 15.3541 16.1259 16.1338 17.1910 17.1965 17.6810 17.6822 17.8390 17.8491 18.3605 18.3814 18.4986 18.4997 18.5714 18.6082 18.7417 18.7760 k = 0.2826 0.4895 0.3502 ( 4860 PWs) bands (ev): -44.4852 -44.4852 -44.4735 -44.4735 -44.4677 -44.4677 -20.4017 -20.4009 -20.3856 -20.3841 -20.3550 -20.3544 -18.0101 -17.9823 -17.9736 -17.9676 -17.9411 -17.9274 -17.9217 -17.9116 -17.8583 -17.8233 -17.8208 -17.8062 5.3322 5.3413 5.4170 5.4336 6.0743 6.0878 6.9293 6.9324 7.2588 7.2681 8.4480 8.4485 10.3953 10.4002 10.6791 10.6804 11.1705 11.1793 11.9514 11.9538 12.7496 12.7615 12.7886 12.8098 13.1450 13.1481 13.1732 13.1964 13.3360 13.3930 13.4929 13.5269 14.3892 14.3923 14.7790 14.7893 15.0089 15.0357 15.3511 15.3855 16.1417 16.1507 17.1888 17.1946 17.6274 17.6304 17.8536 17.8625 18.3081 18.3345 18.4441 18.4522 18.6059 18.6399 18.8053 18.8367 k = 0.2754 0.4769 0.3502 ( 4852 PWs) bands (ev): -44.4851 -44.4851 -44.4739 -44.4739 -44.4672 -44.4672 -20.4029 -20.4022 -20.3843 -20.3828 -20.3549 -20.3542 -18.0096 -17.9834 -17.9732 -17.9675 -17.9416 -17.9261 -17.9223 -17.9103 -17.8585 -17.8244 -17.8215 -17.8049 5.2700 5.2786 5.3482 5.3631 6.1341 6.1475 6.9624 6.9641 7.3121 7.3208 8.4859 8.4868 10.3419 10.3470 10.6786 10.6803 11.2173 11.2265 11.9998 12.0024 12.7464 12.7573 12.7926 12.8160 13.1126 13.1152 13.1447 13.1626 13.3340 13.3973 13.5119 13.5472 14.3375 14.3390 14.7203 14.7277 15.0122 15.0445 15.3785 15.4167 16.1573 16.1674 17.1868 17.1926 17.5706 17.5751 17.8720 17.8805 18.2498 18.2816 18.3910 18.4041 18.6411 18.6711 18.8735 18.9025 k = 0.2681 0.4644 0.3502 ( 4844 PWs) bands (ev): -44.4850 -44.4850 -44.4743 -44.4743 -44.4668 -44.4668 -20.4041 -20.4034 -20.3830 -20.3815 -20.3547 -20.3540 -18.0090 -17.9847 -17.9729 -17.9673 -17.9421 -17.9248 -17.9228 -17.9088 -17.8586 -17.8254 -17.8222 -17.8037 5.2051 5.2133 5.2762 5.2897 6.1964 6.2096 7.0013 7.0018 7.3669 7.3748 8.5243 8.5256 10.2937 10.2990 10.6785 10.6806 11.2599 11.2696 12.0493 12.0521 12.7426 12.7524 12.7972 12.8227 13.0750 13.0753 13.1252 13.1365 13.3337 13.4024 13.5322 13.5679 14.2862 14.2863 14.6590 14.6649 15.0081 15.0435 15.4060 15.4469 16.1723 16.1834 17.1850 17.1906 17.5132 17.5182 17.8938 17.9024 18.1885 18.2248 18.3394 18.3561 18.6758 18.7015 18.9437 18.9706 k = 0.2609 0.4518 0.3502 ( 4848 PWs) bands (ev): -44.4852 -44.4852 -44.4747 -44.4747 -44.4663 -44.4663 -20.4053 -20.4047 -20.3817 -20.3802 -20.3547 -20.3539 -18.0084 -17.9860 -17.9727 -17.9671 -17.9424 -17.9236 -17.9234 -17.9073 -17.8589 -17.8265 -17.8230 -17.8025 5.1382 5.1459 5.2020 5.2143 6.2610 6.2742 7.0448 7.0454 7.4228 7.4299 8.5620 8.5639 10.2515 10.2570 10.6788 10.6813 11.2974 11.3075 12.0986 12.1014 12.7381 12.7467 12.8022 12.8297 13.0340 13.0356 13.1119 13.1189 13.3347 13.4081 13.5530 13.5885 14.2340 14.2359 14.5969 14.6017 14.9950 15.0318 15.4329 15.4754 16.1863 16.1981 17.1834 17.1887 17.4573 17.4618 17.9180 17.9278 18.1265 18.1650 18.2901 18.3094 18.7098 18.7306 19.0141 19.0392 k = 0.2536 0.4393 0.3502 ( 4844 PWs) bands (ev): -44.4851 -44.4851 -44.4751 -44.4751 -44.4659 -44.4659 -20.4065 -20.4060 -20.3803 -20.3789 -20.3545 -20.3537 -18.0077 -17.9873 -17.9725 -17.9668 -17.9427 -17.9239 -17.9224 -17.9056 -17.8593 -17.8275 -17.8238 -17.8014 5.0696 5.0769 5.1265 5.1376 6.3280 6.3410 7.0923 7.0939 7.4793 7.4857 8.5980 8.6005 10.2162 10.2220 10.6794 10.6823 11.3291 11.3395 12.1460 12.1487 12.7334 12.7406 12.8076 12.8370 12.9955 12.9970 13.1046 13.1090 13.3367 13.4142 13.5739 13.6085 14.1825 14.1866 14.5351 14.5389 14.9720 15.0088 15.4584 15.5018 16.1988 16.2112 17.1822 17.1870 17.4050 17.4080 17.9425 17.9562 18.0668 18.1028 18.2439 18.2656 18.7430 18.7585 19.0835 19.1067 k = 0.2464 0.4267 0.3502 ( 4832 PWs) bands (ev): -44.4850 -44.4850 -44.4755 -44.4755 -44.4654 -44.4654 -20.4077 -20.4072 -20.3790 -20.3775 -20.3543 -20.3534 -18.0069 -17.9886 -17.9724 -17.9665 -17.9427 -17.9243 -17.9211 -17.9038 -17.8597 -17.8285 -17.8245 -17.8003 5.0000 5.0069 5.0502 5.0603 6.3971 6.4102 7.1439 7.1463 7.5361 7.5416 8.6316 8.6348 10.1886 10.1947 10.6801 10.6834 11.3542 11.3650 12.1894 12.1919 12.7295 12.7349 12.8133 12.8445 12.9619 12.9623 13.1040 13.1068 13.3392 13.4204 13.5941 13.6270 14.1322 14.1386 14.4744 14.4774 14.9386 14.9744 15.4819 15.5253 16.2094 16.2224 17.1813 17.1856 17.3580 17.3584 17.9539 17.9865 18.0234 18.0402 18.2014 18.2253 18.7751 18.7852 19.1509 19.1721 k = 0.2391 0.4142 0.3502 ( 4824 PWs) bands (ev): -44.4850 -44.4850 -44.4759 -44.4759 -44.4649 -44.4649 -20.4089 -20.4085 -20.3776 -20.3761 -20.3541 -20.3532 -18.0061 -17.9900 -17.9725 -17.9662 -17.9426 -17.9247 -17.9199 -17.9019 -17.8601 -17.8295 -17.8253 -17.7993 4.9297 4.9362 4.9736 4.9830 6.4685 6.4816 7.1992 7.2024 7.5924 7.5971 8.6622 8.6661 10.1691 10.1754 10.6808 10.6844 11.3727 11.3838 12.2259 12.2282 12.7282 12.7319 12.8193 12.8521 12.9333 12.9345 13.1103 13.1120 13.3419 13.4264 13.6129 13.6433 14.0831 14.0923 14.4159 14.4179 14.8945 14.9285 15.5027 15.5454 16.2177 16.2311 17.1808 17.1849 17.3146 17.3178 17.9188 17.9730 18.0239 18.0304 18.1634 18.1892 18.8065 18.8108 19.2144 19.2336 k = 0.2319 0.4016 0.3502 ( 4828 PWs) bands (ev): -44.4850 -44.4850 -44.4763 -44.4763 -44.4645 -44.4645 -20.4102 -20.4098 -20.3763 -20.3748 -20.3539 -20.3529 -18.0054 -17.9913 -17.9727 -17.9659 -17.9423 -17.9251 -17.9188 -17.9000 -17.8607 -17.8305 -17.8262 -17.7984 4.8591 4.8652 4.8973 4.9059 6.5421 6.5551 7.2578 7.2616 7.6475 7.6514 8.6897 8.6943 10.1579 10.1645 10.6812 10.6852 11.3845 11.3958 12.2527 12.2545 12.7327 12.7345 12.8253 12.8597 12.9107 12.9137 13.1235 13.1243 13.3443 13.4319 13.6296 13.6564 14.0358 14.0481 14.3603 14.3612 14.8398 14.8714 15.5205 15.5618 16.2235 16.2373 17.1809 17.1849 17.2775 17.2851 17.8657 17.9125 18.0584 18.0595 18.1309 18.1574 18.8353 18.8370 19.2066 19.2765 k = 0.2246 0.3891 0.3502 ( 4838 PWs) bands (ev): -44.4851 -44.4851 -44.4769 -44.4769 -44.4641 -44.4641 -20.4114 -20.4111 -20.3749 -20.3735 -20.3538 -20.3527 -18.0046 -17.9927 -17.9730 -17.9656 -17.9419 -17.9255 -17.9176 -17.8980 -17.8614 -17.8315 -17.8271 -17.7976 4.7885 4.7943 4.8215 4.8294 6.6178 6.6309 7.3194 7.3238 7.7006 7.7037 8.7143 8.7196 10.1548 10.1617 10.6811 10.6855 11.3901 11.4016 12.2672 12.2684 12.7457 12.7459 12.8312 12.8669 12.8943 12.8992 13.1429 13.1429 13.3463 13.4365 13.6432 13.6652 13.9906 14.0067 14.3082 14.3087 14.7750 14.8039 15.5348 15.5743 16.2264 16.2405 17.1815 17.1861 17.2477 17.2608 17.8139 17.8545 18.0827 18.0956 18.1141 18.1300 18.8590 18.8668 19.1764 19.2670 k = 0.2174 0.3765 0.3502 ( 4844 PWs) bands (ev): -44.4852 -44.4852 -44.4773 -44.4773 -44.4637 -44.4637 -20.4126 -20.4123 -20.3736 -20.3721 -20.3536 -20.3525 -18.0037 -17.9940 -17.9734 -17.9652 -17.9414 -17.9257 -17.9164 -17.8960 -17.8621 -17.8324 -17.8281 -17.7968 4.7182 4.7237 4.7466 4.7539 6.6958 6.7089 7.3839 7.3887 7.7507 7.7530 8.7368 8.7429 10.1592 10.1664 10.6802 10.6850 11.3903 11.4019 12.2689 12.2695 12.7672 12.7687 12.8368 12.8734 12.8836 12.8906 13.1666 13.1672 13.3477 13.4400 13.6525 13.6686 13.9481 13.9683 14.2597 14.2621 14.7011 14.7269 15.5457 15.5828 16.2263 16.2407 17.1827 17.1884 17.2259 17.2451 17.7672 17.8016 18.0689 18.1071 18.1346 18.1417 18.8821 18.8960 19.1438 19.2373 k = 0.2101 0.3640 0.3502 ( 4840 PWs) bands (ev): -44.4851 -44.4851 -44.4778 -44.4778 -44.4632 -44.4632 -20.4138 -20.4135 -20.3722 -20.3708 -20.3533 -20.3522 -18.0029 -17.9953 -17.9738 -17.9648 -17.9408 -17.9258 -17.9153 -17.8940 -17.8628 -17.8333 -17.8290 -17.7961 4.6485 4.6538 4.6729 4.6796 6.7759 6.7890 7.4509 7.4561 7.7968 7.7983 8.7586 8.7653 10.1702 10.1776 10.6783 10.6834 11.3861 11.3978 12.2598 12.2599 12.7962 12.7993 12.8423 12.8787 12.8797 12.8875 13.1933 13.1941 13.3490 13.4423 13.6564 13.6656 13.9090 13.9336 14.2166 14.2214 14.6193 14.6419 15.5534 15.5875 16.2231 16.2377 17.1847 17.1911 17.2131 17.2380 17.7274 17.7551 18.0505 18.0892 18.1745 18.1805 18.9047 18.9247 19.1085 19.1766 k = 0.2029 0.3514 0.3502 ( 4840 PWs) bands (ev): -44.4851 -44.4851 -44.4783 -44.4783 -44.4628 -44.4628 -20.4149 -20.4147 -20.3709 -20.3695 -20.3531 -20.3520 -18.0021 -17.9965 -17.9742 -17.9645 -17.9401 -17.9257 -17.9141 -17.8920 -17.8635 -17.8342 -17.8300 -17.7955 4.5797 4.5847 4.6004 4.6066 6.8582 6.8713 7.5202 7.5257 7.8376 7.8383 8.7811 8.7884 10.1865 10.1941 10.6749 10.6804 11.3787 11.3905 12.2428 12.2434 12.8262 12.8285 12.8494 12.8830 12.8885 12.8898 13.2197 13.2205 13.3519 13.4437 13.6539 13.6556 13.8740 13.9025 14.1796 14.1872 14.5316 14.5506 15.5583 15.5892 16.2167 16.2315 17.1882 17.1915 17.2122 17.2384 17.6955 17.7161 18.0361 18.0763 18.2154 18.2216 18.9269 18.9531 19.0690 19.1124 k = 0.1957 0.3389 0.3502 ( 4840 PWs) bands (ev): -44.4852 -44.4852 -44.4787 -44.4787 -44.4623 -44.4623 -20.4161 -20.4159 -20.3696 -20.3681 -20.3528 -20.3517 -18.0013 -17.9978 -17.9747 -17.9641 -17.9395 -17.9254 -17.9129 -17.8901 -17.8642 -17.8350 -17.8311 -17.7950 4.5120 4.5167 4.5295 4.5352 6.9426 6.9557 7.5918 7.5976 7.8720 7.8721 8.8061 8.8140 10.2067 10.2144 10.6699 10.6757 11.3694 11.3812 12.2220 12.2228 12.8393 12.8459 12.8586 12.8902 12.9090 12.9139 13.2379 13.2442 13.3599 13.4451 13.6392 13.6444 13.8440 13.8753 14.1489 14.1596 14.4401 14.4549 15.5611 15.5884 16.2075 16.2225 17.1917 17.1944 17.2209 17.2453 17.6722 17.6853 18.0268 18.0688 18.2570 18.2639 18.9487 18.9809 19.0244 19.0515 k = 0.1884 0.3263 0.3502 ( 4840 PWs) bands (ev): -44.4852 -44.4852 -44.4791 -44.4791 -44.4619 -44.4619 -20.4172 -20.4171 -20.3682 -20.3668 -20.3526 -20.3514 -18.0006 -17.9990 -17.9750 -17.9637 -17.9389 -17.9249 -17.9116 -17.8884 -17.8649 -17.8359 -17.8321 -17.7945 4.4455 4.4500 4.4603 4.4656 7.0292 7.0423 7.6655 7.6714 7.8985 7.8990 8.8353 8.8436 10.2292 10.2369 10.6628 10.6690 11.3594 11.3712 12.1999 12.2009 12.8402 12.8545 12.8634 12.8902 12.9509 12.9512 13.2428 13.2600 13.3765 13.4481 13.6173 13.6281 13.8196 13.8519 14.1244 14.1376 14.3477 14.3574 15.5630 15.5865 16.1956 16.2108 17.1959 17.2041 17.2352 17.2576 17.6575 17.6631 18.0230 18.0669 18.2992 18.3069 18.9668 18.9764 18.9981 19.0086 k = 0.1812 0.3138 0.3502 ( 4840 PWs) bands (ev): -44.4852 -44.4852 -44.4796 -44.4796 -44.4615 -44.4615 -20.4183 -20.4182 -20.3669 -20.3656 -20.3523 -20.3512 -18.0002 -18.0000 -17.9754 -17.9632 -17.9385 -17.9242 -17.9104 -17.8868 -17.8653 -17.8367 -17.8332 -17.7942 4.3804 4.3847 4.3928 4.3977 7.1180 7.1311 7.7411 7.7471 7.9172 7.9182 8.8700 8.8785 10.2524 10.2602 10.6536 10.6602 11.3498 11.3616 12.1786 12.1795 12.8366 12.8583 12.8672 12.8878 12.9920 12.9957 13.2342 13.2636 13.3993 13.4537 13.5915 13.6063 13.8011 13.8330 14.1047 14.1188 14.2589 14.2613 15.5652 15.5847 16.1815 16.1968 17.2051 17.2178 17.2542 17.2746 17.6495 17.6514 18.0252 18.0709 18.3416 18.3504 18.9295 18.9365 18.9972 19.0328 k = 0.1739 0.3012 0.3502 ( 4844 PWs) bands (ev): -44.4852 -44.4852 -44.4800 -44.4800 -44.4611 -44.4611 -20.4194 -20.4193 -20.3656 -20.3643 -20.3520 -20.3509 -18.0013 -17.9995 -17.9755 -17.9628 -17.9382 -17.9232 -17.9091 -17.8857 -17.8655 -17.8375 -17.8343 -17.7939 4.3170 4.3210 4.3273 4.3319 7.2089 7.2220 7.8183 7.8245 7.9281 7.9293 8.9110 8.9197 10.2751 10.2829 10.6421 10.6490 11.3414 11.3533 12.1592 12.1599 12.8278 12.8571 12.8718 12.8839 13.0309 13.0389 13.2161 13.2535 13.4218 13.4599 13.5631 13.5806 13.7893 13.8198 14.0862 14.0972 14.1725 14.1819 15.5688 15.5844 16.1656 16.1811 17.2193 17.2358 17.2778 17.2961 17.6444 17.6534 18.0333 18.0809 18.3843 18.3940 18.8848 18.8889 19.0175 19.0434 k = 0.1667 0.2887 0.3502 ( 4856 PWs) bands (ev): -44.4853 -44.4853 -44.4805 -44.4805 -44.4608 -44.4608 -20.4205 -20.4204 -20.3644 -20.3631 -20.3518 -20.3507 -18.0024 -17.9991 -17.9756 -17.9624 -17.9380 -17.9220 -17.9079 -17.8849 -17.8654 -17.8383 -17.8355 -17.7937 4.2553 4.2591 4.2639 4.2681 7.3019 7.3150 7.8969 7.9033 7.9317 7.9328 8.9585 8.9672 10.2961 10.3038 10.6283 10.6355 11.3351 11.3470 12.1422 12.1425 12.8116 12.8439 12.8778 12.8841 13.0643 13.0779 13.1934 13.2316 13.4372 13.4611 13.5331 13.5525 13.7850 13.8137 14.0546 14.0595 14.1088 14.1337 15.5752 15.5868 16.1487 16.1642 17.2385 17.2581 17.3062 17.3221 17.6473 17.6628 18.0476 18.0969 18.4271 18.4375 18.8437 18.8451 19.0373 19.0382 k = 0.1594 0.2761 0.3502 ( 4852 PWs) bands (ev): -44.4853 -44.4853 -44.4809 -44.4809 -44.4604 -44.4604 -20.4215 -20.4214 -20.3631 -20.3618 -20.3515 -20.3504 -18.0034 -17.9989 -17.9754 -17.9620 -17.9379 -17.9205 -17.9065 -17.8847 -17.8647 -17.8391 -17.8367 -17.7936 4.1954 4.1991 4.2026 4.2065 7.3971 7.4101 7.9270 7.9290 7.9783 7.9839 9.0123 9.0209 10.3145 10.3220 10.6124 10.6200 11.3312 11.3432 12.1274 12.1276 12.7847 12.8143 12.8855 12.8894 13.0889 13.1113 13.1716 13.2020 13.4387 13.4505 13.5023 13.5231 13.7889 13.8160 13.9994 14.0116 14.0853 14.1126 15.5852 15.5929 16.1311 16.1466 17.2628 17.2848 17.3395 17.3528 17.6580 17.6792 18.0681 18.1188 18.4698 18.4807 18.8060 18.8069 19.0317 19.0543 k = 0.1522 0.2636 0.3502 ( 4852 PWs) bands (ev): -44.4854 -44.4854 -44.4813 -44.4813 -44.4599 -44.4599 -20.4224 -20.4224 -20.3619 -20.3607 -20.3512 -20.3502 -18.0044 -17.9988 -17.9751 -17.9615 -17.9379 -17.9188 -17.9052 -17.8850 -17.8636 -17.8400 -17.8380 -17.7936 4.1375 4.1411 4.1436 4.1471 7.4944 7.5074 7.9179 7.9197 8.0596 8.0653 9.0717 9.0801 10.3298 10.3371 10.5948 10.6027 11.3301 11.3422 12.1142 12.1149 12.7440 12.7674 12.8950 12.8977 13.0993 13.1382 13.1588 13.1689 13.4204 13.4225 13.4716 13.4932 13.8008 13.8270 13.9544 13.9756 14.0739 14.0998 15.5993 15.6033 16.1134 16.1288 17.2922 17.3158 17.3781 17.3884 17.6759 17.7020 18.0944 18.1465 18.5122 18.5232 18.7720 18.7748 19.0273 19.0669 k = 0.1449 0.2510 0.3502 ( 4860 PWs) bands (ev): -44.4854 -44.4854 -44.4817 -44.4817 -44.4596 -44.4596 -20.4234 -20.4234 -20.3608 -20.3595 -20.3510 -20.3499 -18.0053 -17.9990 -17.9745 -17.9611 -17.9380 -17.9170 -17.9038 -17.8858 -17.8622 -17.8408 -17.8393 -17.7937 4.0818 4.0851 4.0869 4.0901 7.5938 7.6068 7.9039 7.9056 8.1422 8.1478 9.1359 9.1441 10.3416 10.3487 10.5759 10.5841 11.3316 11.3439 12.1019 12.1034 12.6865 12.7026 12.9063 12.9080 13.0927 13.1348 13.1591 13.1594 13.3771 13.3805 13.4413 13.4630 13.8198 13.8464 13.9317 13.9580 14.0653 14.0895 15.6175 15.6182 16.0960 16.1113 17.3269 17.3513 17.4220 17.4292 17.7005 17.7305 18.1265 18.1796 18.5541 18.5646 18.7435 18.7478 19.0256 19.0747 k = 0.1377 0.2385 0.3502 ( 4864 PWs) bands (ev): -44.4854 -44.4854 -44.4821 -44.4821 -44.4593 -44.4593 -20.4244 -20.4243 -20.3596 -20.3584 -20.3507 -20.3497 -18.0062 -17.9993 -17.9738 -17.9607 -17.9381 -17.9151 -17.9024 -17.8869 -17.8604 -17.8417 -17.8406 -17.7939 4.0282 4.0314 4.0325 4.0355 7.6953 7.7082 7.8863 7.8878 8.2257 8.2310 9.2041 9.2120 10.3502 10.3570 10.5563 10.5648 11.3358 11.3482 12.0897 12.0918 12.6114 12.6207 12.9192 12.9199 13.0769 13.1012 13.1638 13.1740 13.3198 13.3239 13.4117 13.4334 13.8431 13.8725 13.9307 13.9564 14.0585 14.0806 15.6371 15.6397 16.0793 16.0943 17.3672 17.3917 17.4716 17.4755 17.7315 17.7643 18.1638 18.2177 18.5950 18.6041 18.7210 18.7266 19.0267 19.0792 k = 0.1304 0.2259 0.3502 ( 4862 PWs) bands (ev): -44.4854 -44.4854 -44.4825 -44.4825 -44.4590 -44.4590 -20.4253 -20.4252 -20.3585 -20.3573 -20.3504 -20.3494 -18.0070 -17.9997 -17.9728 -17.9602 -17.9383 -17.9130 -17.9010 -17.8883 -17.8585 -17.8425 -17.8419 -17.7941 3.9769 3.9799 3.9807 3.9834 7.7987 7.8112 7.8664 7.8674 8.3096 8.3147 9.2752 9.2829 10.3558 10.3624 10.5366 10.5455 11.3423 11.3550 12.0762 12.0791 12.5199 12.5240 12.9332 12.9335 13.0531 13.0628 13.1656 13.1822 13.2620 13.2623 13.3832 13.4049 13.8674 13.9016 13.9465 13.9667 14.0544 14.0744 15.6594 15.6648 16.0635 16.0781 17.4134 17.4373 17.5268 17.5273 17.7682 17.8029 18.2060 18.2604 18.6327 18.6403 18.7066 18.7124 19.0306 19.0819 k = 0.1232 0.2134 0.3502 ( 4860 PWs) bands (ev): -44.4854 -44.4854 -44.4828 -44.4828 -44.4586 -44.4586 -20.4261 -20.4261 -20.3575 -20.3563 -20.3501 -20.3492 -18.0078 -18.0002 -17.9717 -17.9598 -17.9384 -17.9108 -17.8995 -17.8899 -17.8564 -17.8433 -17.8432 -17.7945 3.9279 3.9308 3.9313 3.9337 7.8427 7.8445 7.9050 7.9182 8.3939 8.3987 9.3485 9.3559 10.3591 10.3654 10.5175 10.5267 11.3510 11.3639 12.0605 12.0640 12.4145 12.4153 12.9472 12.9485 13.0105 13.0118 13.1583 13.1767 13.2167 13.2246 13.3562 13.3781 13.8893 13.9278 13.9727 13.9869 14.0562 14.0739 15.6841 15.6921 16.0486 16.0627 17.4658 17.4886 17.5848 17.5876 17.8102 17.8457 18.2526 18.3071 18.6590 18.6676 18.7088 18.7107 19.0374 19.0838 k = 0.1159 0.2008 0.3502 ( 4870 PWs) bands (ev): -44.4854 -44.4854 -44.4831 -44.4831 -44.4585 -44.4585 -20.4270 -20.4269 -20.3564 -20.3553 -20.3498 -20.3489 -18.0086 -18.0009 -17.9704 -17.9594 -17.9386 -17.9086 -17.8981 -17.8917 -17.8544 -17.8446 -17.8440 -17.7950 3.8815 3.8842 3.8844 3.8867 7.8197 7.8211 8.0125 8.0255 8.4780 8.4824 9.4229 9.4300 10.3608 10.3669 10.4996 10.5092 11.3614 11.3746 12.0416 12.0456 12.2972 12.2984 12.9369 12.9437 12.9613 12.9645 13.1409 13.1549 13.2006 13.2180 13.3315 13.3535 13.9073 13.9447 14.0008 14.0144 14.0695 14.0837 15.7101 15.7203 16.0347 16.0483 17.5248 17.5460 17.6479 17.6541 17.8568 17.8924 18.3029 18.3572 18.6657 18.6775 18.7297 18.7356 19.0472 19.0857 k = 0.1087 0.1883 0.3502 ( 4872 PWs) bands (ev): -44.4855 -44.4855 -44.4834 -44.4834 -44.4582 -44.4582 -20.4278 -20.4277 -20.3555 -20.3544 -20.3495 -20.3487 -18.0092 -18.0016 -17.9691 -17.9590 -17.9388 -17.9063 -17.8967 -17.8935 -17.8527 -17.8461 -17.8445 -17.7955 3.8375 3.8401 3.8402 3.8423 7.7958 7.7970 8.1222 8.1351 8.5615 8.5655 9.4975 9.5043 10.3622 10.3680 10.4837 10.4937 11.3732 11.3866 12.0187 12.0231 12.1720 12.1740 12.8476 12.8536 12.9750 12.9788 13.1268 13.1366 13.1971 13.2192 13.3103 13.3318 13.9210 13.9531 14.0240 14.0424 14.0989 14.1083 15.7363 15.7484 16.0218 16.0347 17.5904 17.6097 17.7162 17.7260 17.9076 17.9423 18.3565 18.4101 18.6683 18.6817 18.7573 18.7716 19.0601 19.0880 k = 0.1014 0.1757 0.3502 ( 4876 PWs) bands (ev): -44.4855 -44.4855 -44.4837 -44.4837 -44.4580 -44.4580 -20.4285 -20.4284 -20.3546 -20.3535 -20.3493 -20.3485 -18.0098 -18.0023 -17.9677 -17.9586 -17.9389 -17.9040 -17.8963 -17.8943 -17.8514 -17.8475 -17.8444 -17.7962 3.7961 3.7985 3.7986 3.8005 7.7718 7.7729 8.2339 8.2467 8.6440 8.6476 9.5710 9.5775 10.3643 10.3699 10.4705 10.4809 11.3860 11.3998 11.9913 11.9957 12.0417 12.0437 12.7473 12.7510 12.9876 12.9924 13.1181 13.1243 13.1948 13.2179 13.2945 13.3136 13.9317 13.9573 14.0443 14.0669 14.1400 14.1460 15.7618 15.7753 16.0097 16.0220 17.6626 17.6797 17.7895 17.8030 17.9622 17.9951 18.4127 18.4651 18.6750 18.6895 18.7845 18.8086 19.0758 19.0909 k = 0.0942 0.1632 0.3502 ( 4876 PWs) bands (ev): -44.4855 -44.4855 -44.4840 -44.4840 -44.4577 -44.4577 -20.4292 -20.4291 -20.3537 -20.3526 -20.3490 -20.3483 -18.0103 -18.0031 -17.9662 -17.9582 -17.9390 -17.9017 -17.8980 -17.8931 -17.8511 -17.8490 -17.8434 -17.7970 3.7574 3.7596 3.7597 3.7614 7.7482 7.7492 8.3476 8.3603 8.7249 8.7281 9.6422 9.6484 10.3688 10.3740 10.4606 10.4715 11.3995 11.4135 11.9063 11.9089 11.9594 11.9648 12.6405 12.6415 12.9990 13.0046 13.1122 13.1157 13.1903 13.2108 13.2850 13.2991 13.9421 13.9619 14.0652 14.0895 14.1861 14.1906 15.7859 15.8005 15.9985 16.0100 17.7408 17.7556 17.8672 17.8845 18.0201 18.0504 18.4710 18.5209 18.6884 18.7030 18.8093 18.8445 19.0941 19.0948 k = 0.0870 0.1506 0.3502 ( 4884 PWs) bands (ev): -44.4856 -44.4856 -44.4843 -44.4843 -44.4575 -44.4575 -20.4298 -20.4297 -20.3529 -20.3519 -20.3488 -20.3482 -18.0108 -18.0039 -17.9647 -17.9578 -17.9390 -17.9002 -17.8993 -17.8916 -17.8516 -17.8506 -17.8417 -17.7978 3.7214 3.7234 3.7235 3.7250 7.7253 7.7262 8.4631 8.4758 8.8036 8.8063 9.7095 9.7154 10.3773 10.3822 10.4548 10.4661 11.4132 11.4276 11.7695 11.7716 11.9227 11.9279 12.5281 12.5297 13.0090 13.0153 13.1077 13.1093 13.1827 13.1983 13.2801 13.2877 13.9546 13.9700 14.0872 14.1113 14.2336 14.2374 15.8079 15.8232 15.9881 15.9986 17.8243 17.8364 17.9488 17.9700 18.0814 18.1080 18.5306 18.5761 18.7101 18.7232 18.8314 18.8782 19.1002 19.1144 k = 0.0797 0.1381 0.3502 ( 4880 PWs) bands (ev): -44.4856 -44.4856 -44.4845 -44.4845 -44.4573 -44.4573 -20.4304 -20.4303 -20.3521 -20.3512 -20.3485 -20.3480 -18.0112 -18.0046 -17.9632 -17.9574 -17.9389 -17.9024 -17.8969 -17.8900 -17.8526 -17.8521 -17.8396 -17.7988 3.6882 3.6900 3.6900 3.6915 7.7035 7.7043 8.5803 8.5930 8.8793 8.8817 9.7711 9.7765 10.3917 10.3962 10.4537 10.4655 11.4268 11.4411 11.6315 11.6326 11.8813 11.8865 12.4125 12.4167 13.0177 13.0244 13.1037 13.1040 13.1723 13.1832 13.2760 13.2779 13.9710 13.9830 14.1099 14.1325 14.2809 14.2844 15.8275 15.8432 15.9783 15.9879 17.9116 17.9205 18.0334 18.0585 18.1460 18.1680 18.5906 18.6288 18.7422 18.7506 18.8511 18.9085 19.1075 19.1355 k = 0.0725 0.1255 0.3502 ( 4884 PWs) bands (ev): -44.4857 -44.4857 -44.4847 -44.4847 -44.4571 -44.4571 -20.4309 -20.4309 -20.3514 -20.3505 -20.3482 -20.3478 -18.0115 -18.0054 -17.9617 -17.9570 -17.9388 -17.9046 -17.8945 -17.8884 -17.8537 -17.8536 -17.8374 -17.7998 3.6577 3.6593 3.6594 3.6607 7.6829 7.6836 8.6991 8.7118 8.9515 8.9535 9.8251 9.8299 10.4137 10.4179 10.4578 10.4699 11.4386 11.4484 11.4944 11.4987 11.8356 11.8407 12.2959 12.3028 13.0253 13.0323 13.0994 13.0999 13.1604 13.1676 13.2681 13.2702 13.9915 14.0013 14.1326 14.1530 14.3268 14.3302 15.8447 15.8604 15.9693 15.9777 18.0004 18.0053 18.1205 18.1485 18.2144 18.2315 18.6505 18.6782 18.7851 18.7852 18.8694 18.9346 19.1171 19.1564 k = 0.0652 0.1130 0.3502 ( 4884 PWs) bands (ev): -44.4857 -44.4857 -44.4849 -44.4849 -44.4569 -44.4569 -20.4314 -20.4314 -20.3508 -20.3499 -20.3480 -20.3477 -18.0117 -18.0062 -17.9603 -17.9566 -17.9385 -17.9069 -17.8922 -17.8868 -17.8552 -17.8550 -17.8350 -17.8010 3.6300 3.6315 3.6315 3.6327 7.6637 7.6644 8.8189 8.8318 9.0197 9.0214 9.8701 9.8742 10.4439 10.4487 10.4682 10.4798 11.3482 11.3526 11.4537 11.4732 11.7858 11.7909 12.1794 12.1890 13.0320 13.0390 13.0951 13.0960 13.1481 13.1527 13.2573 13.2618 14.0156 14.0240 14.1551 14.1727 14.3706 14.3739 15.8593 15.8748 15.9610 15.9682 18.0875 18.0877 18.2098 18.2380 18.2869 18.3008 18.7096 18.7260 18.8250 18.8370 18.8885 18.9560 19.1290 19.1758 k = 0.0580 0.1004 0.3502 ( 4880 PWs) bands (ev): -44.4857 -44.4857 -44.4850 -44.4850 -44.4567 -44.4567 -20.4319 -20.4318 -20.3502 -20.3494 -20.3478 -20.3475 -18.0119 -18.0069 -17.9590 -17.9562 -17.9380 -17.9092 -17.8898 -17.8851 -17.8568 -17.8564 -17.8327 -17.8022 3.6052 3.6065 3.6065 3.6076 7.6462 7.6468 8.9387 8.9517 9.0840 9.0856 9.9053 9.9088 10.4738 10.4869 10.4931 10.4967 11.2131 11.2167 11.4639 11.4836 11.7323 11.7374 12.0642 12.0768 13.0379 13.0447 13.0909 13.0920 13.1364 13.1391 13.2455 13.2511 14.0418 14.0497 14.1770 14.1915 14.4116 14.4149 15.8715 15.8866 15.9534 15.9594 18.1635 18.1689 18.3011 18.3252 18.3636 18.3786 18.7681 18.7757 18.8637 18.8933 18.9145 18.9731 19.1425 19.1924 k = 0.0507 0.0879 0.3502 ( 4880 PWs) bands (ev): -44.4857 -44.4857 -44.4852 -44.4852 -44.4565 -44.4565 -20.4322 -20.4322 -20.3498 -20.3489 -20.3475 -20.3474 -18.0121 -18.0076 -17.9578 -17.9559 -17.9374 -17.9115 -17.8875 -17.8835 -17.8584 -17.8579 -17.8304 -17.8035 3.5833 3.5844 3.5844 3.5853 7.6305 7.6310 9.0538 9.0664 9.1490 9.1500 9.9314 9.9342 10.4924 10.5093 10.5405 10.5407 11.0817 11.0858 11.4720 11.4932 11.6758 11.6811 11.9516 11.9677 13.0430 13.0495 13.0867 13.0877 13.1257 13.1271 13.2331 13.2389 14.0687 14.0765 14.1982 14.2094 14.4494 14.4525 15.8814 15.8959 15.9468 15.9514 18.2310 18.2399 18.3936 18.4116 18.4433 18.4639 18.8247 18.8298 18.8925 18.9467 18.9566 18.9901 19.1562 19.2054 k = 0.0435 0.0753 0.3502 ( 4876 PWs) bands (ev): -44.4857 -44.4857 -44.4854 -44.4854 -44.4563 -44.4563 -20.4325 -20.4325 -20.3493 -20.3486 -20.3473 -20.3472 -18.0121 -18.0082 -17.9568 -17.9555 -17.9365 -17.9139 -17.8852 -17.8818 -17.8600 -17.8595 -17.8281 -17.8049 3.5642 3.5652 3.5652 3.5660 7.6167 7.6171 9.1460 9.1540 9.2321 9.2357 9.9497 9.9520 10.5048 10.5231 10.5970 10.5973 10.9612 10.9665 11.4765 11.4996 11.6168 11.6231 11.8434 11.8640 13.0475 13.0535 13.0825 13.0834 13.1163 13.1169 13.2206 13.2262 14.0945 14.1025 14.2184 14.2263 14.4835 14.4864 15.8893 15.9029 15.9412 15.9443 18.2892 18.2990 18.4852 18.4994 18.5246 18.5520 18.8715 18.8886 18.9222 18.9780 19.0098 19.0249 19.1684 19.2139 k = 0.0362 0.0628 0.3502 ( 4872 PWs) bands (ev): -44.4857 -44.4857 -44.4855 -44.4855 -44.4561 -44.4561 -20.4328 -20.4327 -20.3490 -20.3483 -20.3471 -20.3471 -18.0121 -18.0088 -17.9559 -17.9552 -17.9354 -17.9162 -17.8830 -17.8802 -17.8616 -17.8611 -17.8258 -17.8064 3.5481 3.5489 3.5489 3.5496 7.6048 7.6052 9.2022 9.2062 9.3444 9.3520 9.9620 9.9637 10.4988 10.5183 10.6579 10.6587 10.8664 10.8727 11.4747 11.4990 11.5566 11.5659 11.7434 11.7696 13.0514 13.0566 13.0783 13.0790 13.1086 13.1086 13.2090 13.2138 14.1179 14.1258 14.2372 14.2422 14.5133 14.5159 15.8952 15.9077 15.9367 15.9384 18.3384 18.3471 18.5720 18.5874 18.6065 18.6384 18.8958 18.9463 18.9695 18.9935 19.0665 19.0731 19.1774 19.2178 k = 0.0290 0.0502 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4855 -44.4855 -44.4560 -44.4560 -20.4330 -20.4329 -20.3487 -20.3481 -20.3469 -20.3469 -18.0120 -18.0093 -17.9553 -17.9549 -17.9341 -17.9185 -17.8808 -17.8786 -17.8631 -17.8627 -17.8235 -17.8080 3.5349 3.5356 3.5356 3.5361 7.5951 7.5953 9.2402 9.2427 9.4689 9.4779 9.9699 9.9712 10.4528 10.4711 10.7202 10.7214 10.8201 10.8254 11.4618 11.4784 11.4964 11.5171 11.6598 11.6911 13.0546 13.0590 13.0744 13.0749 13.1022 13.1024 13.1987 13.2026 14.1379 14.1454 14.2541 14.2568 14.5384 14.5406 15.8995 15.9104 15.9334 15.9341 18.3790 18.3858 18.6500 18.6725 18.6880 18.7191 18.9083 18.9731 19.0215 19.0351 19.1161 19.1226 19.1826 19.2166 k = 0.0217 0.0377 0.3502 ( 4856 PWs) bands (ev): -44.4856 -44.4856 -44.4856 -44.4856 -44.4558 -44.4558 -20.4331 -20.4331 -20.3484 -20.3480 -20.3467 -20.3467 -18.0118 -18.0098 -17.9548 -17.9546 -17.9326 -17.9207 -17.8788 -17.8771 -17.8646 -17.8643 -17.8214 -17.8097 3.5247 3.5252 3.5252 3.5256 7.5874 7.5876 9.2678 9.2695 9.5975 9.6070 9.9747 9.9758 10.3630 10.3785 10.7799 10.7815 10.8233 10.8259 11.4320 11.4328 11.4386 11.4724 11.6088 11.6369 13.0571 13.0605 13.0710 13.0713 13.0976 13.0978 13.1903 13.1932 14.1540 14.1603 14.2683 14.2695 14.5585 14.5603 15.9024 15.9111 15.9313 15.9314 18.4112 18.4158 18.7175 18.7505 18.7658 18.7895 18.9176 18.9745 19.0648 19.0907 19.1490 19.1702 19.1843 19.2102 k = 0.0145 0.0251 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4856 -44.4856 -44.4558 -44.4558 -20.4333 -20.4333 -20.3483 -20.3480 -20.3467 -20.3467 -18.0117 -18.0103 -17.9545 -17.9545 -17.9310 -17.9230 -17.8769 -17.8758 -17.8660 -17.8659 -17.8192 -17.8115 3.5174 3.5177 3.5177 3.5180 7.5819 7.5820 9.2869 9.2880 9.7280 9.7378 9.9776 9.9785 10.2483 10.2615 10.8313 10.8332 10.8507 10.8512 11.3832 11.3858 11.3935 11.4171 11.5903 11.6076 13.0590 13.0613 13.0685 13.0687 13.0944 13.0945 13.1842 13.1861 14.1659 14.1705 14.2791 14.2794 14.5733 14.5745 15.9043 15.9103 15.9302 15.9302 18.4346 18.4374 18.7737 18.8147 18.8352 18.8438 18.9274 18.9679 19.0953 19.1273 19.1748 19.1825 19.1848 19.2068 k = 0.0072 0.0126 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4857 -44.4857 -44.4558 -44.4558 -20.4334 -20.4334 -20.3481 -20.3480 -20.3466 -20.3466 -18.0114 -18.0107 -17.9544 -17.9543 -17.9291 -17.9251 -17.8754 -17.8748 -17.8671 -17.8671 -17.8172 -17.8133 3.5131 3.5133 3.5133 3.5134 7.5786 7.5787 9.2983 9.2988 9.8591 9.8689 9.9789 9.9801 10.1231 10.1352 10.8671 10.8684 10.8797 10.8797 11.3457 11.3462 11.3607 11.3709 11.5863 11.5940 13.0602 13.0613 13.0671 13.0671 13.0926 13.0926 13.1806 13.1816 14.1735 14.1759 14.2858 14.2858 14.5824 14.5830 15.9058 15.9088 15.9298 15.9298 18.4490 18.4503 18.8162 18.8465 18.8879 18.8908 18.9355 18.9529 19.1175 19.1399 19.1746 19.1751 19.1923 19.2057 k = 0.0000 0.0000 0.3502 ( 4864 PWs) bands (ev): -44.4857 -44.4857 -44.4857 -44.4857 -44.4558 -44.4558 -20.4334 -20.4334 -20.3480 -20.3480 -20.3466 -20.3466 -18.0111 -18.0111 -17.9543 -17.9543 -17.9272 -17.9272 -17.8746 -17.8746 -17.8675 -17.8675 -17.8152 -17.8152 3.5118 3.5118 3.5118 3.5118 7.5775 7.5775 9.3022 9.3022 9.9741 9.9741 9.9837 9.9837 10.0166 10.0166 10.8807 10.8807 10.8922 10.8922 11.3309 11.3309 11.3507 11.3507 11.5880 11.5880 13.0609 13.0609 13.0667 13.0667 13.0920 13.0920 13.1797 13.1797 14.1769 14.1769 14.2881 14.2881 14.5856 14.5856 15.9073 15.9073 15.9297 15.9297 18.4543 18.4543 18.8423 18.8423 18.9245 18.9245 18.9280 18.9280 19.1358 19.1358 19.1684 19.1684 19.2006 19.2006 k = 0.5000 0.2887 0.3502 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4657 -44.4657 -20.4061 -20.4061 -20.3805 -20.3805 -20.3533 -20.3533 -17.9931 -17.9931 -17.9776 -17.9776 -17.9295 -17.9295 -17.9148 -17.9148 -17.8490 -17.8490 -17.8064 -17.8064 5.1696 5.1696 5.5654 5.5654 5.6170 5.6170 6.4002 6.4002 8.1986 8.1986 9.3076 9.3076 10.3543 10.3543 10.7948 10.7948 11.0858 11.0858 11.8294 11.8294 12.3152 12.3152 12.7900 12.7900 13.2257 13.2257 13.3039 13.3039 13.5863 13.5863 13.6454 13.6454 13.6809 13.6809 14.0236 14.0236 14.6678 14.6678 15.3995 15.3995 16.6345 16.6345 17.1467 17.1467 17.7159 17.7159 17.9202 17.9202 18.0020 18.0020 18.3370 18.3370 18.8075 18.8075 18.9607 18.9607 k = 0.5000 0.2887 0.3356 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4657 -44.4657 -20.4062 -20.4060 -20.3805 -20.3805 -20.3534 -20.3532 -17.9948 -17.9914 -17.9789 -17.9760 -17.9326 -17.9267 -17.9165 -17.9127 -17.8493 -17.8486 -17.8078 -17.8050 5.1609 5.1632 5.5733 5.5767 5.6130 5.6138 6.4039 6.4051 8.1995 8.2003 9.2980 9.3032 10.3583 10.3621 10.7969 10.7970 11.0797 11.0825 11.8265 11.8279 12.3177 12.3186 12.7861 12.7885 13.2255 13.2262 13.3019 13.3036 13.5714 13.5757 13.6055 13.6083 13.7308 13.7325 14.0283 14.0293 14.6659 14.6681 15.3999 15.4006 16.6311 16.6313 17.1451 17.1458 17.6982 17.7102 17.9270 17.9351 17.9999 18.0039 18.3297 18.3359 18.8103 18.8115 18.9604 18.9634 k = 0.5000 0.2887 0.3210 ( 4852 PWs) bands (ev): -44.4852 -44.4852 -44.4754 -44.4754 -44.4657 -44.4657 -20.4063 -20.4060 -20.3805 -20.3805 -20.3534 -20.3531 -17.9966 -17.9900 -17.9801 -17.9744 -17.9358 -17.9242 -17.9179 -17.9101 -17.8497 -17.8483 -17.8095 -17.8038 5.1393 5.1434 5.5963 5.6004 5.6062 5.6067 6.4159 6.4182 8.2030 8.2046 9.2748 9.2850 10.3737 10.3810 10.8033 10.8035 11.0648 11.0702 11.8192 11.8219 12.3257 12.3274 12.7771 12.7819 13.2257 13.2270 13.2978 13.3013 13.5137 13.5200 13.5953 13.5985 13.7952 13.7989 14.0434 14.0453 14.6622 14.6666 15.4016 15.4031 16.6211 16.6215 17.1411 17.1424 17.6664 17.6850 17.9484 17.9522 18.0007 18.0162 18.3146 18.3264 18.8197 18.8222 18.9624 18.9686 k = 0.5000 0.2887 0.3064 ( 4848 PWs) bands (ev): -44.4851 -44.4851 -44.4754 -44.4754 -44.4657 -44.4657 -20.4063 -20.4059 -20.3805 -20.3805 -20.3535 -20.3530 -17.9984 -17.9887 -17.9811 -17.9725 -17.9390 -17.9221 -17.9190 -17.9072 -17.8500 -17.8481 -17.8114 -17.8029 5.1091 5.1143 5.5841 5.5854 5.6397 5.6470 6.4353 6.4386 8.2092 8.2116 9.2396 9.2541 10.3992 10.4094 10.8139 10.8142 11.0422 11.0499 11.8070 11.8110 12.3384 12.3406 12.7636 12.7707 13.2262 13.2284 13.2919 13.2974 13.4463 13.4546 13.5941 13.5975 13.8591 13.8651 14.0684 14.0711 14.6568 14.6636 15.4048 15.4070 16.6048 16.6053 17.1346 17.1365 17.6292 17.6510 17.9498 17.9537 18.0248 18.0519 18.2922 18.3089 18.8352 18.8392 18.9674 18.9765 k = 0.5000 0.2887 0.2918 ( 4856 PWs) bands (ev): -44.4852 -44.4852 -44.4755 -44.4755 -44.4657 -44.4657 -20.4065 -20.4059 -20.3805 -20.3805 -20.3535 -20.3529 -18.0002 -17.9877 -17.9820 -17.9707 -17.9421 -17.9203 -17.9199 -17.9039 -17.8505 -17.8479 -17.8134 -17.8021 5.0740 5.0797 5.5617 5.5635 5.6887 5.6976 6.4608 6.4650 8.2182 8.2214 9.1940 9.2121 10.4329 10.4453 10.8287 10.8289 11.0136 11.0233 11.7896 11.7948 12.3543 12.3567 12.7468 12.7560 13.2268 13.2303 13.2847 13.2925 13.3780 13.3891 13.5938 13.5974 13.9212 13.9298 14.1024 14.1058 14.6496 14.6592 15.4094 15.4122 16.5825 16.5832 17.1256 17.1282 17.5913 17.6145 17.9345 17.9391 18.0700 18.1002 18.2635 18.2841 18.8558 18.8616 18.9758 18.9880 k = 0.5000 0.2887 0.2772 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4066 -20.4059 -20.3805 -20.3805 -20.3535 -20.3528 -18.0020 -17.9869 -17.9829 -17.9689 -17.9448 -17.9206 -17.9188 -17.9003 -17.8509 -17.8478 -17.8156 -17.8015 5.0366 5.0425 5.5354 5.5375 5.7448 5.7548 6.4910 6.4959 8.2302 8.2341 9.1398 9.1607 10.4723 10.4862 10.8473 10.8474 10.9816 10.9927 11.7661 11.7725 12.3719 12.3742 12.7281 12.7391 13.2259 13.2330 13.2758 13.2859 13.3114 13.3274 13.5938 13.5977 13.9806 13.9922 14.1444 14.1485 14.6408 14.6536 15.4153 15.4187 16.5548 16.5555 17.1141 17.1174 17.5545 17.5786 17.9134 17.9166 18.1214 18.1518 18.2298 18.2540 18.8803 18.8878 18.9891 19.0037 k = 0.5000 0.2887 0.2626 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4067 -20.4060 -20.3805 -20.3805 -20.3535 -20.3527 -18.0037 -17.9861 -17.9836 -17.9677 -17.9468 -17.9211 -17.9174 -17.8966 -17.8513 -17.8477 -17.8179 -17.8011 4.9986 5.0045 5.5063 5.5087 5.8060 5.8169 6.5245 6.5301 8.2453 8.2500 9.0784 9.1016 10.5145 10.5293 10.8687 10.8693 10.9496 10.9613 11.7360 11.7433 12.3895 12.3914 12.7089 12.7216 13.2132 13.2320 13.2430 13.2603 13.2859 13.2865 13.5940 13.5981 14.0366 14.0518 14.1935 14.1982 14.6304 14.6469 15.4225 15.4265 16.5222 16.5230 17.1001 17.1041 17.5199 17.5445 17.8890 17.8900 18.1716 18.1905 18.1956 18.2327 18.9071 18.9156 19.0089 19.0248 k = 0.5000 0.2887 0.2481 ( 4870 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4657 -44.4657 -20.4069 -20.4060 -20.3805 -20.3805 -20.3535 -20.3525 -18.0052 -17.9856 -17.9843 -17.9673 -17.9476 -17.9215 -17.9162 -17.8928 -17.8517 -17.8476 -17.8203 -17.8008 4.9609 4.9667 5.4756 5.4781 5.8711 5.8828 6.5601 6.5662 8.2638 8.2691 9.0112 9.0361 10.5557 10.5708 10.8872 10.8920 10.9268 10.9354 11.6986 11.7068 12.4056 12.4069 12.6910 12.7050 13.1656 13.1692 13.2424 13.2521 13.2743 13.2834 13.5942 13.5984 14.0887 14.1079 14.2486 14.2538 14.6188 14.6395 15.4310 15.4355 16.4855 16.4864 17.0835 17.0882 17.4879 17.5128 17.8606 17.8629 18.1493 18.1656 18.2318 18.2711 18.9347 18.9427 19.0367 19.0520 k = 0.5000 0.2887 0.2335 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4070 -20.4061 -20.3805 -20.3805 -20.3534 -20.3524 -18.0067 -17.9852 -17.9848 -17.9681 -17.9471 -17.9217 -17.9151 -17.8890 -17.8520 -17.8476 -17.8229 -17.8008 4.9243 4.9298 5.4441 5.4466 5.9395 5.9518 6.5967 6.6031 8.2858 8.2917 8.9392 8.9653 10.5902 10.6052 10.8840 10.8987 10.9375 10.9379 11.6538 11.6626 12.4190 12.4196 12.6755 12.6904 13.1007 13.1025 13.2478 13.2549 13.2700 13.2828 13.5944 13.5988 14.1360 14.1600 14.3086 14.3142 14.6060 14.6317 15.4407 15.4456 16.4456 16.4465 17.0643 17.0697 17.4587 17.4839 17.8297 17.8363 18.1084 18.1236 18.2852 18.3234 18.9622 18.9684 19.0720 19.0854 k = 0.5000 0.2887 0.2189 ( 4868 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4657 -44.4657 -20.4072 -20.4062 -20.3805 -20.3805 -20.3533 -20.3522 -18.0080 -17.9854 -17.9849 -17.9698 -17.9454 -17.9218 -17.9141 -17.8852 -17.8524 -17.8477 -17.8255 -17.8009 4.8890 4.8943 5.4125 5.4149 6.0106 6.0235 6.6332 6.6399 8.3114 8.3178 8.8633 8.8903 10.6103 10.6247 10.8812 10.8978 10.9668 10.9684 11.6016 11.6107 12.4287 12.4288 12.6631 12.6786 13.0324 13.0366 13.2541 13.2610 13.2689 13.2846 13.5946 13.5991 14.1780 14.2076 14.3723 14.3783 14.5926 14.6240 15.4516 15.4569 16.4031 16.4042 17.0427 17.0487 17.4323 17.4578 17.7978 17.8096 18.0680 18.0796 18.3379 18.3756 18.9895 18.9936 19.1089 19.1236 k = 0.5000 0.2887 0.2043 ( 4874 PWs) bands (ev): -44.4854 -44.4854 -44.4756 -44.4756 -44.4657 -44.4657 -20.4073 -20.4063 -20.3805 -20.3805 -20.3532 -20.3521 -18.0091 -17.9859 -17.9848 -17.9722 -17.9429 -17.9217 -17.9133 -17.8815 -17.8526 -17.8478 -17.8282 -17.8013 4.8554 4.8604 5.3813 5.3836 6.0839 6.0973 6.6690 6.6758 8.3407 8.3476 8.7842 8.8117 10.6102 10.6241 10.8982 10.9152 11.0025 11.0043 11.5426 11.5518 12.4337 12.4345 12.6539 12.6696 12.9650 12.9705 13.2611 13.2687 13.2705 13.2887 13.5946 13.5992 14.2142 14.2500 14.4385 14.4447 14.5791 14.6168 15.4635 15.4691 16.3591 16.3603 17.0185 17.0250 17.4089 17.4344 17.7656 17.7833 18.0300 18.0367 18.3891 18.4262 19.0167 19.0191 19.0699 19.1212 k = 0.5000 0.2887 0.1897 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4074 -20.4064 -20.3805 -20.3804 -20.3531 -20.3519 -18.0101 -17.9863 -17.9847 -17.9748 -17.9398 -17.9214 -17.9126 -17.8778 -17.8528 -17.8480 -17.8310 -17.8017 4.8237 4.8284 5.3510 5.3532 6.1592 6.1732 6.7033 6.7102 8.3738 8.3811 8.7025 8.7302 10.5931 10.6065 10.9339 10.9506 11.0416 11.0435 11.4778 11.4868 12.4345 12.4358 12.6467 12.6624 12.8998 12.9062 13.2689 13.2738 13.2779 13.2948 13.5946 13.5993 14.2442 14.2868 14.5053 14.5108 14.5678 14.6112 15.4763 15.4821 16.3145 16.3158 16.9919 16.9987 17.3883 17.4138 17.7332 17.7570 17.9962 17.9971 18.4382 18.4744 19.0004 19.0313 19.0507 19.0677 k = 0.5000 0.2887 0.1751 ( 4856 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4656 -44.4656 -20.4075 -20.4065 -20.3805 -20.3804 -20.3529 -20.3518 -18.0109 -17.9866 -17.9848 -17.9776 -17.9364 -17.9210 -17.9119 -17.8744 -17.8531 -17.8482 -17.8336 -17.8024 4.7941 4.7984 5.3219 5.3240 6.2362 6.2506 6.7357 6.7425 8.4103 8.4179 8.6189 8.6464 10.5662 10.5792 10.9811 10.9973 11.0830 11.0849 11.4086 11.4174 12.4310 12.4327 12.6386 12.6536 12.8401 12.8465 13.2773 13.2796 13.2876 13.3025 13.5943 13.5990 14.2678 14.3174 14.5440 14.5664 14.5905 14.6125 15.4900 15.4960 16.2701 16.2716 16.9633 16.9701 17.3705 17.3957 17.7008 17.7302 17.9634 17.9681 18.4848 18.5198 18.9372 18.9793 19.0808 19.0857 k = 0.5000 0.2887 0.1605 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4077 -20.4066 -20.3805 -20.3804 -20.3528 -20.3517 -18.0115 -17.9869 -17.9851 -17.9803 -17.9329 -17.9204 -17.9114 -17.8712 -17.8533 -17.8485 -17.8362 -17.8033 4.7666 4.7706 5.2944 5.2964 6.3145 6.3293 6.7657 6.7723 8.4496 8.4580 8.5341 8.5609 10.5352 10.5477 11.0341 11.0498 11.1249 11.1266 11.3380 11.3460 12.4235 12.4255 12.6236 12.6361 12.7927 12.7975 13.2864 13.2869 13.2979 13.3113 13.5938 13.5986 14.2854 14.3412 14.5358 14.5874 14.6540 14.6555 15.5044 15.5105 16.2268 16.2285 16.9329 16.9395 17.3553 17.3800 17.6687 17.7021 17.9375 17.9469 18.5283 18.5617 18.8767 18.9179 19.1142 19.1185 k = 0.5000 0.2887 0.1459 ( 4864 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4078 -20.4068 -20.3805 -20.3804 -20.3526 -20.3516 -18.0120 -17.9872 -17.9859 -17.9825 -17.9293 -17.9196 -17.9110 -17.8683 -17.8538 -17.8488 -17.8383 -17.8043 4.7413 4.7450 5.2687 5.2705 6.3938 6.4090 6.7931 6.7995 8.4452 8.4741 8.4950 8.5008 10.5035 10.5152 11.0894 11.1044 11.1607 11.1610 11.2750 11.2809 12.4125 12.4146 12.5931 12.6009 12.7663 12.7672 13.2954 13.2959 13.3086 13.3208 13.5931 13.5978 14.2975 14.3580 14.5265 14.5853 14.7173 14.7217 15.5193 15.5253 16.1855 16.1874 16.9013 16.9073 17.3427 17.3666 17.6372 17.6724 17.9207 17.9331 18.5681 18.5999 18.8201 18.8594 19.1498 19.1540 k = 0.5000 0.2887 0.1313 ( 4876 PWs) bands (ev): -44.4854 -44.4854 -44.4756 -44.4756 -44.4657 -44.4657 -20.4079 -20.4069 -20.3805 -20.3804 -20.3525 -20.3515 -18.0123 -17.9876 -17.9874 -17.9839 -17.9260 -17.9184 -17.9108 -17.8658 -17.8547 -17.8492 -17.8397 -17.8056 4.7183 4.7216 5.2450 5.2466 6.4738 6.4892 6.8178 6.8238 8.3596 8.3868 8.5387 8.5455 10.4728 10.4836 11.1348 11.1461 11.1578 11.1657 11.2610 11.2611 12.3984 12.4006 12.5454 12.5489 12.7570 12.7596 13.3046 13.3058 13.3193 13.3306 13.5921 13.5968 14.3051 14.3677 14.5191 14.5805 14.7804 14.7858 15.5344 15.5404 16.1467 16.1489 16.8690 16.8743 17.3324 17.3552 17.6067 17.6415 17.9130 17.9266 18.6037 18.6339 18.7679 18.8054 19.1867 19.1907 k = 0.5000 0.2887 0.1167 ( 4876 PWs) bands (ev): -44.4854 -44.4854 -44.4756 -44.4756 -44.4658 -44.4658 -20.4080 -20.4071 -20.3805 -20.3804 -20.3524 -20.3514 -18.0124 -17.9900 -17.9875 -17.9845 -17.9231 -17.9165 -17.9107 -17.8638 -17.8562 -17.8497 -17.8401 -17.8070 4.6977 4.7006 5.2234 5.2249 6.5539 6.5695 6.8397 6.8452 8.2733 8.2994 8.5847 8.5914 10.4441 10.4540 11.0812 11.0886 11.2037 11.2157 11.2963 11.2983 12.3820 12.3840 12.4873 12.4881 12.7596 12.7640 13.3142 13.3156 13.3300 13.3404 13.5909 13.5955 14.3092 14.3713 14.5137 14.5745 14.8405 14.8461 15.5495 15.5553 16.1113 16.1135 16.8370 16.8413 17.3242 17.3456 17.5779 17.6104 17.9135 17.9269 18.6337 18.6628 18.7215 18.7575 19.2235 19.2272 k = 0.5000 0.2887 0.1021 ( 4870 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4081 -20.4072 -20.3804 -20.3804 -20.3522 -20.3513 -18.0123 -17.9924 -17.9876 -17.9849 -17.9211 -17.9136 -17.9107 -17.8627 -17.8579 -17.8501 -17.8395 -17.8085 4.6794 4.6820 5.2041 5.2054 6.6335 6.6491 6.8587 6.8638 8.1880 8.2130 8.6311 8.6375 10.4180 10.4269 11.0111 11.0179 11.2564 11.2675 11.3442 11.3465 12.3638 12.3655 12.4243 12.4249 12.7687 12.7737 13.3238 13.3251 13.3402 13.3497 13.5895 13.5939 14.3111 14.3700 14.5098 14.5673 14.8962 14.9019 15.5643 15.5697 16.0795 16.0819 16.8059 16.8093 17.3180 17.3376 17.5512 17.5803 17.9207 17.9330 18.6528 18.6691 18.6985 18.7212 19.2588 19.2621 k = 0.5000 0.2887 0.0875 ( 4870 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4657 -44.4657 -20.4081 -20.4074 -20.3804 -20.3804 -20.3520 -20.3513 -18.0120 -17.9949 -17.9877 -17.9852 -17.9196 -17.9108 -17.9100 -17.8634 -17.8587 -17.8507 -17.8380 -17.8103 4.6635 4.6657 5.1872 5.1884 6.7118 6.7272 6.8749 6.8795 8.1048 8.1284 8.6764 8.6824 10.3951 10.4029 10.9426 10.9486 11.3063 11.3163 11.3949 11.3972 12.3444 12.3460 12.3607 12.3619 12.7806 12.7856 13.3329 13.3340 13.3499 13.3583 13.5880 13.5920 14.3117 14.3655 14.5068 14.5590 14.9465 14.9520 15.5783 15.5833 16.0518 16.0542 16.7767 16.7790 17.3135 17.3309 17.5272 17.5522 17.9328 17.9435 18.6360 18.6446 18.7134 18.7161 19.2911 19.2938 k = 0.5000 0.2887 0.0730 ( 4870 PWs) bands (ev): -44.4854 -44.4854 -44.4756 -44.4756 -44.4657 -44.4657 -20.4081 -20.4075 -20.3804 -20.3804 -20.3519 -20.3513 -18.0116 -17.9971 -17.9876 -17.9856 -17.9185 -17.9111 -17.9061 -17.8662 -17.8581 -17.8512 -17.8361 -17.8121 4.6501 4.6519 5.1728 5.1738 6.7874 6.8021 6.8886 6.8926 8.0252 8.0471 8.7193 8.7245 10.3755 10.3821 10.8792 10.8844 11.3520 11.3607 11.4458 11.4481 12.2978 12.2997 12.3260 12.3270 12.7933 12.7979 13.3412 13.3421 13.3586 13.3660 13.5865 13.5901 14.3120 14.3591 14.5042 14.5498 14.9906 14.9957 15.5911 15.5955 16.0284 16.0306 16.7501 16.7516 17.3104 17.3254 17.5065 17.5271 17.9480 17.9569 18.6045 18.6173 18.7261 18.7339 19.3190 19.3211 k = 0.5000 0.2887 0.0584 ( 4856 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4655 -44.4655 -20.4081 -20.4075 -20.3804 -20.3804 -20.3518 -20.3512 -18.0109 -17.9993 -17.9875 -17.9858 -17.9175 -17.9115 -17.9020 -17.8696 -17.8573 -17.8518 -17.8337 -17.8141 4.6391 4.6406 5.1610 5.1617 6.8582 6.8712 6.8998 6.9040 7.9514 7.9709 8.7579 8.7624 10.3594 10.3648 10.8234 10.8278 11.3923 11.3994 11.4950 11.4973 12.2394 12.2414 12.3079 12.3086 12.8055 12.8093 13.3484 13.3491 13.3664 13.3725 13.5851 13.5881 14.3126 14.3520 14.5021 14.5400 15.0279 15.0324 15.6024 15.6061 16.0094 16.0114 16.7271 16.7279 17.3085 17.3209 17.4893 17.5055 17.9642 17.9713 18.5782 18.5899 18.7407 18.7483 19.3419 19.3434 k = 0.5000 0.2887 0.0438 ( 4860 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4655 -44.4655 -20.4081 -20.4077 -20.3804 -20.3804 -20.3517 -20.3512 -18.0100 -18.0013 -17.9875 -17.9862 -17.9165 -17.9120 -17.8979 -17.8733 -17.8566 -17.8524 -17.8312 -17.8163 4.6306 4.6317 5.1517 5.1523 6.9065 6.9083 6.9241 6.9368 7.8865 7.9029 8.7906 8.7941 10.3470 10.3511 10.7774 10.7808 11.4257 11.4313 11.5404 11.5424 12.1870 12.1889 12.2920 12.2925 12.8160 12.8191 13.3543 13.3548 13.3728 13.3775 13.5840 13.5863 14.3141 14.3447 14.5009 14.5302 15.0578 15.0613 15.6116 15.6145 15.9948 15.9964 16.7084 16.7087 17.3077 17.3171 17.4759 17.4879 17.9797 17.9850 18.5578 18.5671 18.7532 18.7593 19.3595 19.3604 k = 0.5000 0.2887 0.0292 ( 4854 PWs) bands (ev): -44.4854 -44.4854 -44.4754 -44.4754 -44.4655 -44.4655 -20.4080 -20.4077 -20.3804 -20.3804 -20.3515 -20.3513 -18.0090 -18.0032 -17.9873 -17.9864 -17.9156 -17.9125 -17.8937 -17.8772 -17.8558 -17.8530 -17.8287 -17.8186 4.6246 4.6253 5.1451 5.1455 6.9135 6.9148 6.9759 6.9855 7.8348 7.8469 8.8156 8.8181 10.3383 10.3410 10.7431 10.7454 11.4511 11.4549 11.5785 11.5800 12.1441 12.1456 12.2796 12.2799 12.8243 12.8264 13.3587 13.3590 13.3778 13.3810 13.5831 13.5848 14.3167 14.3376 14.5010 14.5210 15.0797 15.0822 15.6187 15.6207 15.9845 15.9856 16.6945 16.6945 17.3077 17.3140 17.4668 17.4746 17.9925 17.9960 18.5435 18.5499 18.7625 18.7668 19.3718 19.3723 k = 0.5000 0.2887 0.0146 ( 4856 PWs) bands (ev): -44.4854 -44.4854 -44.4755 -44.4755 -44.4655 -44.4655 -20.4080 -20.4079 -20.3804 -20.3804 -20.3514 -20.3513 -18.0078 -18.0049 -17.9871 -17.9867 -17.9148 -17.9132 -17.8895 -17.8812 -17.8551 -17.8537 -17.8261 -17.8210 4.6210 4.6214 5.1411 5.1413 6.9174 6.9181 7.0122 7.0174 7.8018 7.8083 8.8316 8.8328 10.3334 10.3347 10.7220 10.7232 11.4673 11.4693 11.6048 11.6057 12.1153 12.1161 12.2716 12.2717 12.8297 12.8307 13.3614 13.3616 13.3812 13.3828 13.5828 13.5836 14.3204 14.3311 14.5030 14.5131 15.0933 15.0946 15.6232 15.6242 15.9784 15.9790 16.6859 16.6859 17.3083 17.3116 17.4619 17.4658 18.0012 18.0030 18.5355 18.5387 18.7687 18.7708 19.3791 19.3793 k = 0.5000 0.2887-0.0000 ( 4862 PWs) bands (ev): -44.4853 -44.4853 -44.4755 -44.4755 -44.4656 -44.4656 -20.4080 -20.4080 -20.3804 -20.3804 -20.3514 -20.3514 -18.0065 -18.0065 -17.9869 -17.9869 -17.9139 -17.9139 -17.8854 -17.8854 -17.8544 -17.8544 -17.8235 -17.8235 4.6200 4.6200 5.1399 5.1399 6.9189 6.9189 7.0269 7.0269 7.7924 7.7924 8.8374 8.8374 10.3322 10.3322 10.7153 10.7153 11.4735 11.4735 11.6146 11.6146 12.1053 12.1053 12.2689 12.2689 12.8319 12.8319 13.3624 13.3624 13.3829 13.3829 13.5829 13.5829 14.3253 14.3253 14.5070 14.5070 15.0983 15.0983 15.6250 15.6250 15.9766 15.9766 16.6830 16.6830 17.3097 17.3097 17.4616 17.4616 18.0048 18.0048 18.5339 18.5339 18.7714 18.7714 19.3815 19.3815 k = 0.3333 0.5774-0.0000 ( 4854 PWs) bands (ev): -44.4803 -44.4803 -44.4803 -44.4803 -44.4657 -44.4657 -20.4080 -20.4080 -20.3676 -20.3676 -20.3658 -20.3651 -18.0109 -18.0109 -17.9876 -17.9804 -17.9066 -17.9066 -17.8984 -17.8984 -17.8431 -17.8369 -17.8333 -17.8333 5.0330 5.0330 5.6725 5.6940 5.7156 5.7156 7.8427 7.8515 7.8515 7.8667 9.0517 9.0517 9.1340 9.1340 10.0441 10.0451 10.0451 10.0535 11.8511 11.8511 13.1328 13.1541 13.1541 13.1607 13.6176 13.6176 13.6207 13.6508 13.6508 13.6765 13.7966 13.7966 13.8014 13.8501 14.1024 14.1024 15.5683 15.5883 15.5883 15.6315 15.7608 15.7608 17.2568 17.2568 17.5934 17.5934 17.6370 17.6541 18.1716 18.1716 18.1907 18.2080 18.5356 18.5356 19.0527 19.0886 k = 0.3333 0.5774 0.0146 ( 4848 PWs) bands (ev): -44.4806 -44.4806 -44.4799 -44.4799 -44.4657 -44.4657 -20.4081 -20.4079 -20.3685 -20.3667 -20.3665 -20.3644 -18.0122 -18.0094 -17.9876 -17.9802 -17.9086 -17.9060 -17.8991 -17.8964 -17.8442 -17.8359 -17.8344 -17.8321 5.0338 5.0346 5.6709 5.6975 5.7077 5.7254 7.7513 7.7545 7.9524 7.9557 8.9896 8.9937 9.1906 9.1938 9.9518 9.9557 10.1402 10.1436 11.8543 11.8550 13.1311 13.1499 13.1558 13.1600 13.5757 13.5864 13.6275 13.6404 13.6774 13.7026 13.7662 13.7809 13.8348 13.8736 14.1037 14.1064 15.5677 15.5843 15.5914 15.6314 15.7565 15.7620 17.2569 17.2583 17.5452 17.5973 17.6423 17.6938 18.1352 18.1651 18.2152 18.2412 18.5352 18.5358 19.0315 19.0439 k = 0.3333 0.5774 0.0292 ( 4842 PWs) bands (ev): -44.4808 -44.4808 -44.4795 -44.4795 -44.4657 -44.4657 -20.4080 -20.4078 -20.3694 -20.3675 -20.3658 -20.3635 -18.0134 -18.0078 -17.9878 -17.9796 -17.9113 -17.9072 -17.8982 -17.8940 -17.8466 -17.8353 -17.8339 -17.8309 5.0368 5.0384 5.6681 5.7018 5.7063 5.7373 7.6525 7.6568 8.0535 8.0558 8.8996 8.9043 9.2749 9.2779 9.8611 9.8653 10.2361 10.2391 11.8646 11.8660 13.1258 13.1429 13.1550 13.1578 13.5195 13.5297 13.6242 13.6352 13.6822 13.7209 13.7615 13.7651 13.8760 13.9127 14.1103 14.1156 15.5659 15.5787 15.5950 15.6312 15.7491 15.7604 17.2585 17.2612 17.4980 17.5506 17.6917 17.7409 18.1072 18.1412 18.2642 18.2876 18.5344 18.5356 18.9980 19.0034 k = 0.3333 0.5774 0.0438 ( 4845 PWs) bands (ev): -44.4812 -44.4812 -44.4791 -44.4791 -44.4658 -44.4658 -20.4080 -20.4076 -20.3703 -20.3685 -20.3650 -20.3627 -18.0144 -18.0060 -17.9882 -17.9786 -17.9143 -17.9095 -17.8966 -17.8915 -17.8494 -17.8361 -17.8317 -17.8297 5.0422 5.0446 5.6661 5.6979 5.7180 5.7511 7.5552 7.5605 8.1538 8.1555 8.8055 8.8107 9.3600 9.3626 9.7743 9.7788 10.3320 10.3346 11.8818 11.8839 13.1168 13.1327 13.1514 13.1536 13.4589 13.4682 13.6169 13.6287 13.6573 13.6948 13.7803 13.7861 13.9189 13.9547 14.1220 14.1295 15.5633 15.5706 15.6001 15.6314 15.7388 15.7558 17.2616 17.2656 17.4521 17.5045 17.7419 17.7883 18.0882 18.1261 18.3164 18.3381 18.5333 18.5351 18.9657 18.9670 k = 0.3333 0.5774 0.0584 ( 4851 PWs) bands (ev): -44.4815 -44.4815 -44.4788 -44.4788 -44.4659 -44.4659 -20.4079 -20.4073 -20.3713 -20.3696 -20.3643 -20.3619 -18.0154 -18.0042 -17.9885 -17.9775 -17.9175 -17.9120 -17.8951 -17.8890 -17.8524 -17.8368 -17.8295 -17.8285 5.0498 5.0530 5.6656 5.6959 5.7321 5.7669 7.4600 7.4663 8.2523 8.2534 8.7097 8.7152 9.4436 9.4457 9.6928 9.6976 10.4270 10.4293 11.9056 11.9084 13.1036 13.1188 13.1442 13.1468 13.3976 13.4057 13.6072 13.6203 13.6253 13.6604 13.7983 13.8069 13.9632 13.9978 14.1382 14.1474 15.5595 15.5598 15.6080 15.6331 15.7256 15.7486 17.2661 17.2714 17.4081 17.4597 17.7926 17.8357 18.0783 18.1201 18.3690 18.3899 18.5321 18.5342 18.9346 18.9362 k = 0.3333 0.5774 0.0730 ( 4839 PWs) bands (ev): -44.4818 -44.4818 -44.4783 -44.4783 -44.4658 -44.4658 -20.4076 -20.4069 -20.3722 -20.3707 -20.3635 -20.3611 -18.0161 -18.0022 -17.9887 -17.9760 -17.9207 -17.9146 -17.8937 -17.8864 -17.8555 -17.8372 -17.8274 -17.8273 5.0598 5.0638 5.6667 5.6956 5.7481 5.7844 7.3671 7.3745 8.3471 8.3478 8.6127 8.6185 9.5252 9.5265 9.6190 9.6236 10.5204 10.5222 11.9357 11.9391 13.0858 13.1004 13.1318 13.1360 13.3392 13.3455 13.5921 13.5966 13.6103 13.6260 13.8080 13.8185 14.0086 14.0419 14.1586 14.1689 15.5459 15.5535 15.6194 15.6385 15.7095 15.7392 17.2719 17.2786 17.3669 17.4170 17.8439 17.8832 18.0771 18.1227 18.4189 18.4402 18.5310 18.5328 18.9062 18.9100 k = 0.3333 0.5774 0.0875 ( 4839 PWs) bands (ev): -44.4821 -44.4821 -44.4779 -44.4779 -44.4659 -44.4659 -20.4073 -20.4065 -20.3732 -20.3718 -20.3628 -20.3604 -18.0167 -18.0001 -17.9889 -17.9744 -17.9240 -17.9172 -17.8928 -17.8839 -17.8588 -17.8373 -17.8262 -17.8254 5.0720 5.0768 5.6694 5.6972 5.7658 5.8035 7.2769 7.2854 8.4357 8.4360 8.5151 8.5212 9.5531 9.5597 9.6047 9.6074 10.6111 10.6125 11.9714 11.9755 13.0625 13.0766 13.1115 13.1185 13.2882 13.2917 13.5613 13.5838 13.5930 13.5990 13.8080 13.8195 14.0549 14.0869 14.1825 14.1933 15.5290 15.5441 15.6341 15.6494 15.6908 15.7285 17.2784 17.2872 17.3293 17.3770 17.8956 17.9306 18.0840 18.1332 18.4625 18.4864 18.5309 18.5313 18.8813 18.8867 k = 0.3333 0.5774 0.1021 ( 4842 PWs) bands (ev): -44.4825 -44.4825 -44.4775 -44.4775 -44.4661 -44.4661 -20.4070 -20.4061 -20.3742 -20.3729 -20.3621 -20.3597 -18.0171 -17.9979 -17.9890 -17.9727 -17.9274 -17.9198 -17.8923 -17.8815 -17.8622 -17.8372 -17.8251 -17.8236 5.0864 5.0921 5.6737 5.7003 5.7848 5.8241 7.1897 7.1995 8.4170 8.4235 8.5143 8.5143 9.5039 9.5098 9.6820 9.6836 10.6981 10.6992 12.0123 12.0170 13.0328 13.0464 13.0805 13.0913 13.2489 13.2490 13.5321 13.5620 13.5707 13.5870 13.7987 13.8105 14.1021 14.1326 14.2093 14.2203 15.5091 15.5308 15.6494 15.6668 15.6694 15.7196 17.2804 17.2971 17.3013 17.3403 17.9473 17.9776 18.0983 18.1507 18.4932 18.5262 18.5285 18.5370 18.8594 18.8657 k = 0.3333 0.5774 0.1167 ( 4845 PWs) bands (ev): -44.4828 -44.4828 -44.4771 -44.4771 -44.4662 -44.4662 -20.4067 -20.4056 -20.3752 -20.3741 -20.3614 -20.3591 -18.0174 -17.9956 -17.9890 -17.9709 -17.9308 -17.9224 -17.8921 -17.8791 -17.8657 -17.8368 -17.8240 -17.8219 5.1032 5.1097 5.6795 5.7049 5.8048 5.8457 7.1060 7.1172 8.3189 8.3256 8.5779 8.5780 9.4734 9.4790 9.7573 9.7585 10.7802 10.7809 12.0576 12.0630 12.9961 13.0088 13.0394 13.0533 13.2193 13.2222 13.5054 13.5334 13.5573 13.5744 13.7811 13.7928 14.1499 14.1791 14.2387 14.2495 15.4865 15.5138 15.6456 15.6564 15.6904 15.7210 17.2582 17.3028 17.3072 17.3083 17.9987 18.0237 18.1190 18.1743 18.5043 18.5256 18.5536 18.5580 18.8393 18.8463 k = 0.3333 0.5774 0.1313 ( 4857 PWs) bands (ev): -44.4833 -44.4833 -44.4767 -44.4767 -44.4663 -44.4663 -20.4062 -20.4051 -20.3763 -20.3753 -20.3609 -20.3586 -18.0176 -17.9933 -17.9889 -17.9689 -17.9342 -17.9250 -17.8925 -17.8769 -17.8692 -17.8362 -17.8231 -17.8205 5.1221 5.1295 5.6866 5.7108 5.8254 5.8679 7.0263 7.0391 8.2211 8.2280 8.6215 8.6216 9.4674 9.4727 9.8307 9.8316 10.8563 10.8566 12.1066 12.1126 12.9518 12.9627 12.9930 13.0082 13.2000 13.2046 13.4815 13.5074 13.5438 13.5617 13.7570 13.7683 14.1984 14.2260 14.2701 14.2804 15.4614 15.4935 15.6195 15.6474 15.7191 15.7400 17.2324 17.2782 17.3136 17.3208 18.0492 18.0686 18.1453 18.2031 18.5043 18.5219 18.5720 18.5809 18.8194 18.8272 k = 0.3333 0.5774 0.1459 ( 4848 PWs) bands (ev): -44.4834 -44.4834 -44.4763 -44.4763 -44.4665 -44.4665 -20.4057 -20.4045 -20.3773 -20.3765 -20.3602 -20.3580 -18.0176 -17.9909 -17.9887 -17.9668 -17.9375 -17.9274 -17.8931 -17.8746 -17.8728 -17.8353 -17.8221 -17.8190 5.1433 5.1515 5.6948 5.7179 5.8459 5.8901 6.9513 6.9658 8.1238 8.1309 8.6415 8.6421 9.4895 9.4941 9.9024 9.9030 10.9248 10.9249 12.1584 12.1650 12.8995 12.9074 12.9468 12.9613 13.1868 13.1924 13.4605 13.4843 13.5304 13.5488 13.7285 13.7390 14.2475 14.2733 14.3033 14.3128 15.4341 15.4705 15.5912 15.6287 15.7517 15.7693 17.2103 17.2532 17.3268 17.3349 18.0982 18.1118 18.1763 18.2359 18.5009 18.5177 18.5850 18.5945 18.7982 18.8074 k = 0.3333 0.5774 0.1605 ( 4845 PWs) bands (ev): -44.4836 -44.4836 -44.4759 -44.4759 -44.4667 -44.4667 -20.4052 -20.4039 -20.3784 -20.3778 -20.3596 -20.3575 -18.0175 -17.9885 -17.9884 -17.9647 -17.9408 -17.9297 -17.8942 -17.8764 -17.8725 -17.8341 -17.8212 -17.8178 5.1667 5.1758 5.7041 5.7260 5.8656 5.9115 6.8820 6.8983 8.0272 8.0344 8.6391 8.6403 9.5388 9.5426 9.9726 9.9729 10.9841 10.9847 12.2123 12.2195 12.8380 12.8426 12.9042 12.9176 13.1771 13.1834 13.4424 13.4641 13.5170 13.5360 13.6975 13.7072 14.2969 14.3208 14.3379 14.3464 15.4049 15.4455 15.5609 15.6053 15.7868 15.8029 17.1925 17.2326 17.3419 17.3505 18.1449 18.1528 18.2111 18.2718 18.4959 18.5128 18.5910 18.5986 18.7744 18.7865 k = 0.3333 0.5774 0.1751 ( 4839 PWs) bands (ev): -44.4838 -44.4838 -44.4753 -44.4753 -44.4669 -44.4669 -20.4046 -20.4032 -20.3794 -20.3790 -20.3590 -20.3570 -18.0173 -17.9879 -17.9862 -17.9624 -17.9439 -17.9318 -17.8956 -17.8801 -17.8705 -17.8328 -17.8204 -17.8167 5.1922 5.2023 5.7142 5.7348 5.8833 5.9308 6.8195 6.8376 7.9317 7.9389 8.6193 8.6210 9.6105 9.6134 10.0414 10.0415 11.0333 11.0342 12.2673 12.2751 12.7663 12.7684 12.8677 12.8804 13.1696 13.1765 13.4271 13.4468 13.5038 13.5232 13.6658 13.6746 14.3465 14.3681 14.3736 14.3808 15.3741 15.4188 15.5288 15.5790 15.8229 15.8379 17.1790 17.2161 17.3590 17.3679 18.1887 18.1910 18.2488 18.3098 18.4900 18.5072 18.5896 18.5927 18.7481 18.7649 k = 0.3333 0.5774 0.1897 ( 4842 PWs) bands (ev): -44.4840 -44.4840 -44.4749 -44.4749 -44.4671 -44.4671 -20.4039 -20.4026 -20.3805 -20.3802 -20.3585 -20.3566 -18.0170 -17.9874 -17.9838 -17.9600 -17.9471 -17.9338 -17.8972 -17.8838 -17.8686 -17.8313 -17.8197 -17.8158 5.2199 5.2309 5.7249 5.7442 5.8977 5.9467 6.7653 6.7850 7.8373 7.8446 8.5878 8.5900 9.6986 9.7008 10.1090 10.1091 11.0710 11.0723 12.3226 12.3310 12.6850 12.6854 12.8387 12.8512 13.1637 13.1713 13.4143 13.4323 13.4905 13.5104 13.6349 13.6427 14.3962 14.4102 14.4152 14.4159 15.3421 15.3910 15.4950 15.5505 15.8587 15.8727 17.1697 17.2037 17.3782 17.3873 18.2257 18.2287 18.2886 18.3490 18.4832 18.5012 18.5755 18.5791 18.7217 18.7446 k = 0.3333 0.5774 0.2043 ( 4830 PWs) bands (ev): -44.4841 -44.4841 -44.4744 -44.4744 -44.4673 -44.4673 -20.4032 -20.4018 -20.3815 -20.3814 -20.3580 -20.3562 -18.0166 -17.9867 -17.9816 -17.9575 -17.9501 -17.9355 -17.8991 -17.8875 -17.8669 -17.8298 -17.8191 -17.8150 5.2496 5.2616 5.7359 5.7540 5.9074 5.9573 6.7213 6.7422 7.7445 7.7516 8.5500 8.5524 9.7979 9.7995 10.1756 10.1758 11.0965 11.0981 12.3774 12.3862 12.5947 12.5952 12.8177 12.8305 13.1595 13.1678 13.4036 13.4202 13.4773 13.4974 13.6056 13.6124 14.4451 14.4483 14.4512 14.4616 15.3090 15.3625 15.4596 15.5203 15.8932 15.9060 17.1643 17.1952 17.3998 17.4090 18.2561 18.2638 18.3294 18.3882 18.4751 18.4947 18.5467 18.5568 18.6999 18.7274 k = 0.3333 0.5774 0.2189 ( 4830 PWs) bands (ev): -44.4843 -44.4843 -44.4739 -44.4739 -44.4676 -44.4676 -20.4025 -20.4010 -20.3827 -20.3826 -20.3575 -20.3559 -18.0161 -17.9860 -17.9796 -17.9550 -17.9529 -17.9369 -17.9012 -17.8912 -17.8652 -17.8282 -17.8185 -17.8144 5.2813 5.2944 5.7470 5.7638 5.9107 5.9608 6.6894 6.7107 7.6533 7.6603 8.5095 8.5121 9.9046 9.9057 10.2415 10.2418 11.1095 11.1112 12.4308 12.4394 12.4981 12.4985 12.8047 12.8180 13.1570 13.1661 13.3946 13.4104 13.4638 13.4841 13.5785 13.5843 14.4847 14.4866 14.4956 14.5070 15.2754 15.3339 15.4229 15.4886 15.9254 15.9370 17.1625 17.1901 17.4243 17.4335 18.2802 18.2925 18.3704 18.4258 18.4637 18.4881 18.5094 18.5240 18.6864 18.7147 k = 0.3333 0.5774 0.2335 ( 4830 PWs) bands (ev): -44.4844 -44.4844 -44.4736 -44.4736 -44.4678 -44.4678 -20.4016 -20.4002 -20.3840 -20.3837 -20.3571 -20.3556 -18.0155 -17.9851 -17.9777 -17.9557 -17.9525 -17.9380 -17.9034 -17.8949 -17.8638 -17.8266 -17.8180 -17.8139 5.3151 5.3292 5.7580 5.7735 5.9065 5.9555 6.6712 6.6919 7.5640 7.5707 8.4691 8.4717 10.0156 10.0163 10.3067 10.3072 11.1101 11.1120 12.3936 12.3964 12.4823 12.4934 12.7986 12.8124 13.1568 13.1668 13.3871 13.4025 13.4501 13.4702 13.5541 13.5588 14.5218 14.5225 14.5442 14.5509 15.2415 15.3058 15.3851 15.4558 15.9548 15.9651 17.1637 17.1879 17.4518 17.4611 18.2929 18.3110 18.4102 18.4417 18.4495 18.4815 18.4821 18.4937 18.6813 18.7064 k = 0.3333 0.5774 0.2481 ( 4824 PWs) bands (ev): -44.4845 -44.4845 -44.4732 -44.4732 -44.4680 -44.4680 -20.4008 -20.3993 -20.3852 -20.3848 -20.3567 -20.3554 -18.0148 -17.9842 -17.9762 -17.9582 -17.9499 -17.9387 -17.9057 -17.8985 -17.8624 -17.8251 -17.8176 -17.8137 5.3507 5.3660 5.7684 5.7827 5.8939 5.9406 6.6674 6.6864 7.4767 7.4832 8.4305 8.4330 10.1285 10.1289 10.3714 10.3720 11.0991 11.1010 12.2884 12.2909 12.5311 12.5424 12.7976 12.8120 13.1594 13.1703 13.3805 13.3964 13.4361 13.4555 13.5324 13.5361 14.5564 14.5601 14.5919 14.5926 15.2079 15.2789 15.3463 15.4222 15.9810 15.9898 17.1673 17.1881 17.4830 17.4922 18.2832 18.3081 18.4112 18.4298 18.4456 18.4785 18.4792 18.5051 18.6831 18.7025 k = 0.3333 0.5774 0.2626 ( 4830 PWs) bands (ev): -44.4847 -44.4847 -44.4728 -44.4728 -44.4683 -44.4683 -20.3998 -20.3984 -20.3865 -20.3859 -20.3564 -20.3552 -18.0142 -17.9832 -17.9752 -17.9605 -17.9473 -17.9388 -17.9082 -17.9021 -17.8613 -17.8235 -17.8172 -17.8135 5.3881 5.4046 5.7779 5.7912 5.8734 5.9167 6.6776 6.6941 7.3919 7.3979 8.3950 8.3974 10.2412 10.2412 10.4356 10.4364 11.0776 11.0795 12.1816 12.1841 12.5767 12.5886 12.7996 12.8145 13.1655 13.1772 13.3741 13.3919 13.4223 13.4398 13.5134 13.5161 14.5901 14.5972 14.6315 14.6380 15.1752 15.2540 15.3069 15.3882 16.0036 16.0111 17.1725 17.1901 17.5181 17.5274 18.2429 18.2684 18.3978 18.4209 18.4597 18.4717 18.4957 18.5356 18.6911 18.7035 k = 0.3333 0.5774 0.2772 ( 4842 PWs) bands (ev): -44.4848 -44.4848 -44.4725 -44.4725 -44.4687 -44.4687 -20.3989 -20.3976 -20.3878 -20.3870 -20.3561 -20.3551 -18.0136 -17.9822 -17.9745 -17.9626 -17.9448 -17.9386 -17.9106 -17.9056 -17.8603 -17.8221 -17.8170 -17.8136 5.4272 5.4450 5.7858 5.7988 5.8464 5.8851 6.7005 6.7140 7.3095 7.3150 8.3637 8.3658 10.3508 10.3510 10.4994 10.5002 11.0470 11.0489 12.0763 12.0787 12.6187 12.6312 12.8021 12.8175 13.1755 13.1879 13.3665 13.3888 13.4095 13.4228 13.4970 13.4989 14.6224 14.6335 14.6663 14.6815 15.1444 15.2322 15.2672 15.3543 16.0227 16.0287 17.1787 17.1931 17.5576 17.5670 18.1820 18.2044 18.3972 18.4239 18.4571 18.4682 18.5263 18.5628 18.7049 18.7099 k = 0.3333 0.5774 0.2918 ( 4860 PWs) bands (ev): -44.4850 -44.4850 -44.4722 -44.4722 -44.4692 -44.4692 -20.3980 -20.3967 -20.3891 -20.3881 -20.3558 -20.3551 -18.0131 -17.9811 -17.9744 -17.9644 -17.9423 -17.9379 -17.9129 -17.9090 -17.8595 -17.8207 -17.8168 -17.8139 5.4677 5.4871 5.7877 5.8052 5.8183 5.8475 6.7342 6.7447 7.2300 7.2348 8.3373 8.3391 10.4545 10.4548 10.5626 10.5635 11.0088 11.0107 11.9759 11.9780 12.6568 12.6700 12.8032 12.8186 13.1898 13.2022 13.3558 13.3868 13.3994 13.4046 13.4832 13.4845 14.6527 14.6682 14.6958 14.7212 15.1169 15.2149 15.2279 15.3212 16.0381 16.0429 17.1851 17.1964 17.6018 17.6114 18.1122 18.1320 18.3984 18.4297 18.4529 18.4662 18.5554 18.5856 18.7223 18.7242 k = 0.3333 0.5774 0.3064 ( 4860 PWs) bands (ev): -44.4850 -44.4850 -44.4718 -44.4718 -44.4695 -44.4695 -20.3970 -20.3958 -20.3903 -20.3891 -20.3556 -20.3550 -18.0126 -17.9800 -17.9745 -17.9658 -17.9400 -17.9370 -17.9150 -17.9120 -17.8588 -17.8194 -17.8166 -17.8142 5.5097 5.5305 5.7651 5.8057 5.8093 5.8102 6.7769 6.7846 7.1536 7.1576 8.3163 8.3177 10.5476 10.5480 10.6251 10.6260 10.9644 10.9662 11.8851 11.8869 12.6906 12.7046 12.8011 12.8163 13.2080 13.2195 13.3406 13.3854 13.3858 13.3930 13.4722 13.4730 14.6802 14.7004 14.7185 14.7549 15.0950 15.1898 15.2035 15.2896 16.0501 16.0536 17.1911 17.1994 17.6509 17.6607 18.0394 18.0571 18.3989 18.4348 18.4491 18.4649 18.5803 18.6032 18.7408 18.7485 k = 0.3333 0.5774 0.3210 ( 4863 PWs) bands (ev): -44.4850 -44.4850 -44.4715 -44.4715 -44.4699 -44.4699 -20.3960 -20.3949 -20.3915 -20.3901 -20.3554 -20.3550 -18.0122 -17.9788 -17.9750 -17.9668 -17.9379 -17.9360 -17.9167 -17.9146 -17.8584 -17.8182 -17.8165 -17.8147 5.5526 5.5751 5.7264 5.7615 5.8117 5.8137 6.8270 6.8323 7.0806 7.0837 8.3011 8.3020 10.6240 10.6243 10.6866 10.6876 10.9150 10.9167 11.8104 11.8117 12.7199 12.7348 12.7951 12.8096 13.2292 13.2382 13.3216 13.3663 13.3856 13.3895 13.4640 13.4645 14.7039 14.7283 14.7329 14.7799 15.0816 15.1545 15.1995 15.2606 16.0587 16.0609 17.1961 17.2016 17.7051 17.7150 17.9666 17.9830 18.3988 18.4383 18.4462 18.4640 18.5998 18.6152 18.7651 18.7767 k = 0.3333 0.5774 0.3356 ( 4863 PWs) bands (ev): -44.4851 -44.4851 -44.4711 -44.4711 -44.4703 -44.4703 -20.3949 -20.3941 -20.3927 -20.3909 -20.3552 -20.3550 -18.0120 -17.9777 -17.9758 -17.9675 -17.9363 -17.9353 -17.9177 -17.9166 -17.8581 -17.8171 -17.8164 -17.8154 5.5964 5.6202 5.6840 5.7162 5.8144 5.8156 6.8830 6.8866 7.0115 7.0138 8.2919 8.2924 10.6753 10.6756 10.7469 10.7479 10.8617 10.8634 11.7602 11.7609 12.7439 12.7606 12.7852 12.7981 13.2525 13.2547 13.2998 13.3499 13.3859 13.3876 13.4590 13.4592 14.7224 14.7382 14.7488 14.7938 15.0793 15.1248 15.2038 15.2356 16.0640 16.0651 17.1999 17.2026 17.7642 17.7737 17.8956 17.9118 18.3985 18.4406 18.4440 18.4634 18.6134 18.6211 18.7953 18.8064 k = 0.3333 0.5774 0.3502 ( 4866 PWs) bands (ev): -44.4851 -44.4851 -44.4707 -44.4707 -44.4707 -44.4707 -20.3938 -20.3938 -20.3938 -20.3913 -20.3551 -20.3551 -18.0119 -17.9767 -17.9767 -17.9677 -17.9354 -17.9354 -17.9177 -17.9177 -17.8580 -17.8163 -17.8162 -17.8162 5.6404 5.6404 5.6561 5.6802 5.8158 5.8158 6.9338 6.9466 6.9466 6.9585 8.2890 8.2890 10.6937 10.6937 10.8014 10.8054 10.8054 10.8121 11.7425 11.7425 12.7572 12.7766 12.7817 12.7817 13.2621 13.2764 13.2764 13.3426 13.3866 13.3866 13.4573 13.4573 14.7344 14.7344 14.7568 14.7978 15.0831 15.1099 15.2161 15.2161 16.0661 16.0661 17.2021 17.2021 17.8229 17.8279 17.8279 17.8583 18.3984 18.4423 18.4423 18.4632 18.6205 18.6205 18.8241 18.8309 Writing output data file Si2Mo.save init_run : 4.11s CPU 13.52s WALL ( 1 calls) electrons : 1389.12s CPU 1399.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1389.07s CPU 1398.86s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.99s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.09s CPU 0.59s WALL ( 1 calls) newd : 0.55s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 299 calls) cegterg : 1322.49s CPU 1329.21s WALL ( 688 calls) Called by sum_band: Called by *egterg: h_psi : 462.41s CPU 471.03s WALL ( 12401 calls) s_psi : 53.46s CPU 53.80s WALL ( 12401 calls) g_psi : 1.06s CPU 1.15s WALL ( 11414 calls) cdiaghg : 620.73s CPU 618.93s WALL ( 11713 calls) cegterg:over : 113.63s CPU 110.97s WALL ( 11414 calls) cegterg:upda : 31.02s CPU 33.75s WALL ( 11414 calls) cegterg:last : 24.84s CPU 25.41s WALL ( 1884 calls) Called by h_psi: h_psi:vloc : 350.63s CPU 357.20s WALL ( 12401 calls) h_psi:vnl : 111.30s CPU 112.76s WALL ( 12401 calls) add_vuspsi : 39.87s CPU 43.74s WALL ( 12401 calls) General routines calbec : 71.36s CPU 68.94s WALL ( 12401 calls) fft : 0.37s CPU 1.15s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 333.66s CPU 338.81s WALL ( 1737036 calls) interpolate : 0.04s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 1.71s WALL ( 598 calls) Parallel routines fft_scatter : 210.59s CPU 212.23s WALL ( 1737059 calls) PWSCF : 24m22.29s CPU 26m47.16s WALL This run was terminated on: 10:28:29 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=