Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:14:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaAgAs.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 26 7 1390 1286 197 Max 29 27 8 1395 1305 208 Sum 1015 955 283 50097 46603 7257 bravais-lattice index = 14 lattice parameter (alat) = 8.7173 a.u. unit-cell volume = 1106.3405 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.717306 celldm(2)= 1.000000 celldm(3)= 1.928463 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 1.928463 ) 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 0.518548 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0035587 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0035587 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0035587 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0035587 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0035587 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0035587 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035587 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0035587 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0035587 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0035587 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0035587 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0035587 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0035587 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0035587 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035587 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0035587 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0035587 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0035587 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035587 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0035587 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0035587 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0035587 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035587 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0035587 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0035587 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0035587 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0035587 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0035587 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0035587 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0035587 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035587 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0035587 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0035587 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0035587 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0035587 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0035587 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0035587 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0035587 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035587 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035587 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035587 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035587 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035587 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035587 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035587 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035587 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035587 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035587 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035587 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035587 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035587 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035587 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035587 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035587 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035587 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035587 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035587 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035587 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035587 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035587 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0035587 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0035587 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0035587 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0035587 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0035587 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0035587 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0035587 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0035587 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0035587 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0035587 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0035587 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0035587 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0035587 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0035587 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0035587 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0035587 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0035587 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0035587 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0035587 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0035587 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0035587 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0035587 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035587 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0035587 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0035587 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0035587 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0035587 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0035587 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0035587 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0035587 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0035587 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0035587 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0035587 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0035587 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0035587 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0035587 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0035587 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0035587 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0035587 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0035587 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0035587 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0035587 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0035587 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0035587 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0144041), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0288082), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.0432123), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.0576164), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.0720205), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.0864246), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.1008287), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.1152328), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.1296369), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.1440410), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.1584451), wk = 0.0035587 k( 125) = ( 0.0000000 0.0000000 0.1728492), wk = 0.0035587 k( 126) = ( 0.0000000 0.0000000 0.1872533), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.2016574), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.2160615), wk = 0.0035587 k( 129) = ( 0.0000000 0.0000000 0.2304656), wk = 0.0035587 k( 130) = ( 0.0000000 0.0000000 0.2448697), wk = 0.0035587 k( 131) = ( 0.0000000 0.0000000 0.2592738), wk = 0.0035587 k( 132) = ( 0.0000000 0.0000000 0.2592738), wk = 0.0035587 k( 133) = ( 0.0125000 0.0072169 0.2592738), wk = 0.0035587 k( 134) = ( 0.0250000 0.0144338 0.2592738), wk = 0.0035587 k( 135) = ( 0.0375000 0.0216506 0.2592738), wk = 0.0035587 k( 136) = ( 0.0500000 0.0288675 0.2592738), wk = 0.0035587 k( 137) = ( 0.0625000 0.0360844 0.2592738), wk = 0.0035587 k( 138) = ( 0.0750000 0.0433013 0.2592738), wk = 0.0035587 k( 139) = ( 0.0875000 0.0505181 0.2592738), wk = 0.0035587 k( 140) = ( 0.1000000 0.0577350 0.2592738), wk = 0.0035587 k( 141) = ( 0.1125000 0.0649519 0.2592738), wk = 0.0035587 k( 142) = ( 0.1250000 0.0721688 0.2592738), wk = 0.0035587 k( 143) = ( 0.1375000 0.0793857 0.2592738), wk = 0.0035587 k( 144) = ( 0.1500000 0.0866025 0.2592738), wk = 0.0035587 k( 145) = ( 0.1625000 0.0938194 0.2592738), wk = 0.0035587 k( 146) = ( 0.1750000 0.1010363 0.2592738), wk = 0.0035587 k( 147) = ( 0.1875000 0.1082532 0.2592738), wk = 0.0035587 k( 148) = ( 0.2000000 0.1154701 0.2592738), wk = 0.0035587 k( 149) = ( 0.2125000 0.1226869 0.2592738), wk = 0.0035587 k( 150) = ( 0.2250000 0.1299038 0.2592738), wk = 0.0035587 k( 151) = ( 0.2375000 0.1371207 0.2592738), wk = 0.0035587 k( 152) = ( 0.2500000 0.1443376 0.2592738), wk = 0.0035587 k( 153) = ( 0.2625000 0.1515544 0.2592738), wk = 0.0035587 k( 154) = ( 0.2750000 0.1587713 0.2592738), wk = 0.0035587 k( 155) = ( 0.2875000 0.1659882 0.2592738), wk = 0.0035587 k( 156) = ( 0.3000000 0.1732051 0.2592738), wk = 0.0035587 k( 157) = ( 0.3125000 0.1804220 0.2592738), wk = 0.0035587 k( 158) = ( 0.3250000 0.1876388 0.2592738), wk = 0.0035587 k( 159) = ( 0.3375000 0.1948557 0.2592738), wk = 0.0035587 k( 160) = ( 0.3500000 0.2020726 0.2592738), wk = 0.0035587 k( 161) = ( 0.3625000 0.2092895 0.2592738), wk = 0.0035587 k( 162) = ( 0.3750000 0.2165064 0.2592738), wk = 0.0035587 k( 163) = ( 0.3875000 0.2237232 0.2592738), wk = 0.0035587 k( 164) = ( 0.4000000 0.2309401 0.2592738), wk = 0.0035587 k( 165) = ( 0.4125000 0.2381570 0.2592738), wk = 0.0035587 k( 166) = ( 0.4250000 0.2453739 0.2592738), wk = 0.0035587 k( 167) = ( 0.4375000 0.2525907 0.2592738), wk = 0.0035587 k( 168) = ( 0.4500000 0.2598076 0.2592738), wk = 0.0035587 k( 169) = ( 0.4625000 0.2670245 0.2592738), wk = 0.0035587 k( 170) = ( 0.4750000 0.2742414 0.2592738), wk = 0.0035587 k( 171) = ( 0.4875000 0.2814583 0.2592738), wk = 0.0035587 k( 172) = ( 0.5000000 0.2886751 0.2592738), wk = 0.0035587 k( 173) = ( 0.5000000 0.2886751 0.2592738), wk = 0.0035587 k( 174) = ( 0.4927536 0.3012262 0.2592738), wk = 0.0035587 k( 175) = ( 0.4855073 0.3137773 0.2592738), wk = 0.0035587 k( 176) = ( 0.4782609 0.3263284 0.2592738), wk = 0.0035587 k( 177) = ( 0.4710145 0.3388795 0.2592738), wk = 0.0035587 k( 178) = ( 0.4637681 0.3514306 0.2592738), wk = 0.0035587 k( 179) = ( 0.4565217 0.3639817 0.2592738), wk = 0.0035587 k( 180) = ( 0.4492754 0.3765328 0.2592738), wk = 0.0035587 k( 181) = ( 0.4420290 0.3890839 0.2592738), wk = 0.0035587 k( 182) = ( 0.4347826 0.4016350 0.2592738), wk = 0.0035587 k( 183) = ( 0.4275362 0.4141861 0.2592738), wk = 0.0035587 k( 184) = ( 0.4202899 0.4267372 0.2592738), wk = 0.0035587 k( 185) = ( 0.4130435 0.4392882 0.2592738), wk = 0.0035587 k( 186) = ( 0.4057971 0.4518393 0.2592738), wk = 0.0035587 k( 187) = ( 0.3985507 0.4643904 0.2592738), wk = 0.0035587 k( 188) = ( 0.3913044 0.4769415 0.2592738), wk = 0.0035587 k( 189) = ( 0.3840580 0.4894926 0.2592738), wk = 0.0035587 k( 190) = ( 0.3768116 0.5020437 0.2592738), wk = 0.0035587 k( 191) = ( 0.3695652 0.5145948 0.2592738), wk = 0.0035587 k( 192) = ( 0.3623188 0.5271459 0.2592738), wk = 0.0035587 k( 193) = ( 0.3550725 0.5396970 0.2592738), wk = 0.0035587 k( 194) = ( 0.3478261 0.5522481 0.2592738), wk = 0.0035587 k( 195) = ( 0.3405797 0.5647992 0.2592738), wk = 0.0035587 k( 196) = ( 0.3333333 0.5773503 0.2592738), wk = 0.0035587 k( 197) = ( 0.3333333 0.5773503 0.2592738), wk = 0.0035587 k( 198) = ( 0.3260870 0.5647992 0.2592738), wk = 0.0035587 k( 199) = ( 0.3188406 0.5522481 0.2592738), wk = 0.0035587 k( 200) = ( 0.3115942 0.5396970 0.2592738), wk = 0.0035587 k( 201) = ( 0.3043478 0.5271459 0.2592738), wk = 0.0035587 k( 202) = ( 0.2971014 0.5145948 0.2592738), wk = 0.0035587 k( 203) = ( 0.2898551 0.5020437 0.2592738), wk = 0.0035587 k( 204) = ( 0.2826087 0.4894926 0.2592738), wk = 0.0035587 k( 205) = ( 0.2753623 0.4769415 0.2592738), wk = 0.0035587 k( 206) = ( 0.2681159 0.4643904 0.2592738), wk = 0.0035587 k( 207) = ( 0.2608696 0.4518393 0.2592738), wk = 0.0035587 k( 208) = ( 0.2536232 0.4392883 0.2592738), wk = 0.0035587 k( 209) = ( 0.2463768 0.4267372 0.2592738), wk = 0.0035587 k( 210) = ( 0.2391304 0.4141861 0.2592738), wk = 0.0035587 k( 211) = ( 0.2318841 0.4016350 0.2592738), wk = 0.0035587 k( 212) = ( 0.2246377 0.3890839 0.2592738), wk = 0.0035587 k( 213) = ( 0.2173913 0.3765328 0.2592738), wk = 0.0035587 k( 214) = ( 0.2101449 0.3639817 0.2592738), wk = 0.0035587 k( 215) = ( 0.2028986 0.3514306 0.2592738), wk = 0.0035587 k( 216) = ( 0.1956522 0.3388795 0.2592738), wk = 0.0035587 k( 217) = ( 0.1884058 0.3263284 0.2592738), wk = 0.0035587 k( 218) = ( 0.1811594 0.3137773 0.2592738), wk = 0.0035587 k( 219) = ( 0.1739130 0.3012262 0.2592738), wk = 0.0035587 k( 220) = ( 0.1666667 0.2886751 0.2592738), wk = 0.0035587 k( 221) = ( 0.1594203 0.2761240 0.2592738), wk = 0.0035587 k( 222) = ( 0.1521739 0.2635729 0.2592738), wk = 0.0035587 k( 223) = ( 0.1449275 0.2510219 0.2592738), wk = 0.0035587 k( 224) = ( 0.1376812 0.2384708 0.2592738), wk = 0.0035587 k( 225) = ( 0.1304348 0.2259197 0.2592738), wk = 0.0035587 k( 226) = ( 0.1231884 0.2133686 0.2592738), wk = 0.0035587 k( 227) = ( 0.1159420 0.2008175 0.2592738), wk = 0.0035587 k( 228) = ( 0.1086957 0.1882664 0.2592738), wk = 0.0035587 k( 229) = ( 0.1014493 0.1757153 0.2592738), wk = 0.0035587 k( 230) = ( 0.0942029 0.1631642 0.2592738), wk = 0.0035587 k( 231) = ( 0.0869565 0.1506131 0.2592738), wk = 0.0035587 k( 232) = ( 0.0797101 0.1380620 0.2592738), wk = 0.0035587 k( 233) = ( 0.0724638 0.1255109 0.2592738), wk = 0.0035587 k( 234) = ( 0.0652174 0.1129598 0.2592738), wk = 0.0035587 k( 235) = ( 0.0579710 0.1004087 0.2592738), wk = 0.0035587 k( 236) = ( 0.0507246 0.0878577 0.2592738), wk = 0.0035587 k( 237) = ( 0.0434783 0.0753066 0.2592738), wk = 0.0035587 k( 238) = ( 0.0362319 0.0627555 0.2592738), wk = 0.0035587 k( 239) = ( 0.0289855 0.0502044 0.2592738), wk = 0.0035587 k( 240) = ( 0.0217391 0.0376533 0.2592738), wk = 0.0035587 k( 241) = ( 0.0144928 0.0251022 0.2592738), wk = 0.0035587 k( 242) = ( 0.0072464 0.0125511 0.2592738), wk = 0.0035587 k( 243) = ( 0.0000000 0.0000000 0.2592738), wk = 0.0035587 k( 244) = ( 0.5000000 0.2886751 0.2592738), wk = 0.0035587 k( 245) = ( 0.5000000 0.2886751 0.2448697), wk = 0.0035587 k( 246) = ( 0.5000000 0.2886751 0.2304656), wk = 0.0035587 k( 247) = ( 0.5000000 0.2886751 0.2160615), wk = 0.0035587 k( 248) = ( 0.5000000 0.2886751 0.2016574), wk = 0.0035587 k( 249) = ( 0.5000000 0.2886751 0.1872533), wk = 0.0035587 k( 250) = ( 0.5000000 0.2886751 0.1728492), wk = 0.0035587 k( 251) = ( 0.5000000 0.2886751 0.1584451), wk = 0.0035587 k( 252) = ( 0.5000000 0.2886751 0.1440410), wk = 0.0035587 k( 253) = ( 0.5000000 0.2886751 0.1296369), wk = 0.0035587 k( 254) = ( 0.5000000 0.2886751 0.1152328), wk = 0.0035587 k( 255) = ( 0.5000000 0.2886751 0.1008287), wk = 0.0035587 k( 256) = ( 0.5000000 0.2886751 0.0864246), wk = 0.0035587 k( 257) = ( 0.5000000 0.2886751 0.0720205), wk = 0.0035587 k( 258) = ( 0.5000000 0.2886751 0.0576164), wk = 0.0035587 k( 259) = ( 0.5000000 0.2886751 0.0432123), wk = 0.0035587 k( 260) = ( 0.5000000 0.2886751 0.0288082), wk = 0.0035587 k( 261) = ( 0.5000000 0.2886751 0.0144041), wk = 0.0035587 k( 262) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 263) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 264) = ( 0.3333333 0.5773503 0.0144041), wk = 0.0035587 k( 265) = ( 0.3333333 0.5773503 0.0288082), wk = 0.0035587 k( 266) = ( 0.3333333 0.5773503 0.0432123), wk = 0.0035587 k( 267) = ( 0.3333333 0.5773503 0.0576164), wk = 0.0035587 k( 268) = ( 0.3333333 0.5773503 0.0720205), wk = 0.0035587 k( 269) = ( 0.3333333 0.5773503 0.0864246), wk = 0.0035587 k( 270) = ( 0.3333333 0.5773503 0.1008287), wk = 0.0035587 k( 271) = ( 0.3333333 0.5773503 0.1152328), wk = 0.0035587 k( 272) = ( 0.3333333 0.5773503 0.1296369), wk = 0.0035587 k( 273) = ( 0.3333333 0.5773503 0.1440410), wk = 0.0035587 k( 274) = ( 0.3333333 0.5773503 0.1584451), wk = 0.0035587 k( 275) = ( 0.3333333 0.5773503 0.1728492), wk = 0.0035587 k( 276) = ( 0.3333333 0.5773503 0.1872533), wk = 0.0035587 k( 277) = ( 0.3333333 0.5773503 0.2016574), wk = 0.0035587 k( 278) = ( 0.3333333 0.5773503 0.2160615), wk = 0.0035587 k( 279) = ( 0.3333333 0.5773503 0.2304656), wk = 0.0035587 k( 280) = ( 0.3333333 0.5773503 0.2448697), wk = 0.0035587 k( 281) = ( 0.3333333 0.5773503 0.2592738), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0035587 k( 3) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0035587 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0035587 k( 5) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0035587 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0035587 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0035587 k( 9) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0035587 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0035587 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0035587 k( 12) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0035587 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0035587 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0035587 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0035587 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0035587 k( 17) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0035587 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0035587 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0035587 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0035587 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0035587 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0035587 k( 23) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0035587 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0035587 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0035587 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0035587 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0035587 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0035587 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0035587 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0035587 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0035587 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0035587 k( 33) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0035587 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0035587 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0035587 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0035587 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0035587 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0035587 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0035587 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0035587 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035587 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035587 k( 43) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0035587 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0035587 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0035587 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0035587 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0035587 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0035587 k( 49) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0035587 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0035587 k( 51) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0035587 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035587 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0035587 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035587 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0035587 k( 56) = ( 0.3985507 0.2028986 -0.0000000), wk = 0.0035587 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035587 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0035587 k( 59) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0035587 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0035587 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0035587 k( 62) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0035587 k( 63) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0035587 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0035587 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035587 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035587 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0035587 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0035587 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0035587 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0035587 k( 71) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0035587 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0035587 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0035587 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0035587 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0035587 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0035587 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0035587 k( 78) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0035587 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0035587 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0035587 k( 81) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0035587 k( 82) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0035587 k( 83) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0035587 k( 84) = ( 0.2028986 0.2028986 -0.0000000), wk = 0.0035587 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0035587 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0035587 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0035587 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0035587 k( 89) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035587 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0035587 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0035587 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0035587 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0035587 k( 94) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0035587 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0035587 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0035587 k( 97) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0035587 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0035587 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0035587 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0035587 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0035587 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0035587 k( 103) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0035587 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0035587 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0035587 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0035587 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0035587 k( 108) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0035587 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0035587 k( 110) = ( 0.0144928 0.0144928 -0.0000000), wk = 0.0035587 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0035587 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035587 k( 126) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035587 k( 129) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0035587 k( 130) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0035587 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 133) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0035587 k( 134) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0035587 k( 135) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0035587 k( 136) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0035587 k( 137) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0035587 k( 138) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0035587 k( 139) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0035587 k( 140) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0035587 k( 141) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0035587 k( 142) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0035587 k( 143) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0035587 k( 144) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0035587 k( 145) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0035587 k( 146) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0035587 k( 147) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0035587 k( 148) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0035587 k( 149) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0035587 k( 150) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0035587 k( 151) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0035587 k( 152) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0035587 k( 153) = ( 0.2625000 -0.0000000 0.5000000), wk = 0.0035587 k( 154) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0035587 k( 155) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0035587 k( 156) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0035587 k( 157) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0035587 k( 158) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0035587 k( 159) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0035587 k( 160) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0035587 k( 161) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0035587 k( 162) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0035587 k( 163) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0035587 k( 164) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0035587 k( 165) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0035587 k( 166) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0035587 k( 167) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0035587 k( 168) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0035587 k( 169) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0035587 k( 170) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0035587 k( 171) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0035587 k( 172) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035587 k( 173) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035587 k( 174) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0035587 k( 175) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035587 k( 176) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035587 k( 177) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035587 k( 178) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035587 k( 179) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035587 k( 180) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035587 k( 181) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035587 k( 182) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035587 k( 183) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035587 k( 184) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035587 k( 185) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035587 k( 186) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035587 k( 187) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0035587 k( 188) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035587 k( 189) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035587 k( 190) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035587 k( 191) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035587 k( 192) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035587 k( 193) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035587 k( 194) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035587 k( 195) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035587 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 k( 198) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0035587 k( 199) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0035587 k( 200) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0035587 k( 201) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0035587 k( 202) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0035587 k( 203) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0035587 k( 204) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0035587 k( 205) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0035587 k( 206) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0035587 k( 207) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0035587 k( 208) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0035587 k( 209) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0035587 k( 210) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0035587 k( 211) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0035587 k( 212) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0035587 k( 213) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0035587 k( 214) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0035587 k( 215) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0035587 k( 216) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0035587 k( 217) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0035587 k( 218) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0035587 k( 219) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0035587 k( 220) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035587 k( 221) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0035587 k( 222) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0035587 k( 223) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0035587 k( 224) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0035587 k( 225) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0035587 k( 226) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0035587 k( 227) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0035587 k( 228) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0035587 k( 229) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0035587 k( 230) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0035587 k( 231) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0035587 k( 232) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0035587 k( 233) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0035587 k( 234) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0035587 k( 235) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0035587 k( 236) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0035587 k( 237) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0035587 k( 238) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0035587 k( 239) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0035587 k( 240) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0035587 k( 241) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0035587 k( 242) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0035587 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 244) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035587 k( 245) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0035587 k( 246) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0035587 k( 247) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0035587 k( 248) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0035587 k( 249) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0035587 k( 250) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0035587 k( 251) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0035587 k( 252) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0035587 k( 253) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0035587 k( 254) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0035587 k( 255) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0035587 k( 256) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0035587 k( 257) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0035587 k( 258) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0035587 k( 259) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0035587 k( 260) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0035587 k( 261) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0035587 k( 262) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035587 k( 263) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035587 k( 264) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0035587 k( 265) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0035587 k( 266) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0035587 k( 267) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0035587 k( 268) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0035587 k( 269) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0035587 k( 270) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0035587 k( 271) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0035587 k( 272) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035587 k( 273) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0035587 k( 274) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0035587 k( 275) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035587 k( 276) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0035587 k( 277) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0035587 k( 278) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0035587 k( 279) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0035587 k( 280) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0035587 k( 281) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 Dense grid: 50097 G-vectors FFT dimensions: ( 40, 40, 75) Smooth grid: 46603 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 346, 62) NL pseudopotentials 0.44 Mb ( 173, 166) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1392) G-vector shells 0.00 Mb ( 599) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.31 Mb ( 346, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 166, 2, 62) The potential is recalculated from file : ./BaAgAs.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.4 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.6 secs Computing kpt #: 23 total cpu time spent up to now is 19.4 secs Computing kpt #: 24 total cpu time spent up to now is 20.2 secs Computing kpt #: 25 total cpu time spent up to now is 20.9 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.3 secs Computing kpt #: 28 total cpu time spent up to now is 23.1 secs Computing kpt #: 29 total cpu time spent up to now is 23.8 secs Computing kpt #: 30 total cpu time spent up to now is 24.5 secs Computing kpt #: 31 total cpu time spent up to now is 25.2 secs Computing kpt #: 32 total cpu time spent up to now is 25.9 secs Computing kpt #: 33 total cpu time spent up to now is 26.6 secs Computing kpt #: 34 total cpu time spent up to now is 27.3 secs Computing kpt #: 35 total cpu time spent up to now is 28.0 secs Computing kpt #: 36 total cpu time spent up to now is 28.7 secs Computing kpt #: 37 total cpu time spent up to now is 29.3 secs Computing kpt #: 38 total cpu time spent up to now is 30.0 secs Computing kpt #: 39 total cpu time spent up to now is 30.7 secs Computing kpt #: 40 total cpu time spent up to now is 31.3 secs Computing kpt #: 41 total cpu time spent up to now is 32.0 secs Computing kpt #: 42 total cpu time spent up to now is 32.6 secs Computing kpt #: 43 total cpu time spent up to now is 33.3 secs Computing kpt #: 44 total cpu time spent up to now is 34.0 secs Computing kpt #: 45 total cpu time spent up to now is 34.8 secs Computing kpt #: 46 total cpu time spent up to now is 35.5 secs Computing kpt #: 47 total cpu time spent up to now is 36.1 secs Computing kpt #: 48 total cpu time spent up to now is 36.8 secs Computing kpt #: 49 total cpu time spent up to now is 37.4 secs Computing kpt #: 50 total cpu time spent up to now is 38.1 secs Computing kpt #: 51 total cpu time spent up to now is 38.8 secs Computing kpt #: 52 total cpu time spent up to now is 39.4 secs Computing kpt #: 53 total cpu time spent up to now is 40.1 secs Computing kpt #: 54 total cpu time spent up to now is 40.8 secs Computing kpt #: 55 total cpu time spent up to now is 41.5 secs Computing kpt #: 56 total cpu time spent up to now is 42.1 secs Computing kpt #: 57 total cpu time spent up to now is 42.8 secs Computing kpt #: 58 total cpu time spent up to now is 43.5 secs Computing kpt #: 59 total cpu time spent up to now is 44.2 secs Computing kpt #: 60 total cpu time spent up to now is 44.8 secs Computing kpt #: 61 total cpu time spent up to now is 45.5 secs Computing kpt #: 62 total cpu time spent up to now is 46.1 secs Computing kpt #: 63 total cpu time spent up to now is 46.8 secs Computing kpt #: 64 total cpu time spent up to now is 47.4 secs Computing kpt #: 65 total cpu time spent up to now is 48.1 secs Computing kpt #: 66 total cpu time spent up to now is 48.7 secs Computing kpt #: 67 total cpu time spent up to now is 49.4 secs Computing kpt #: 68 total cpu time spent up to now is 50.0 secs Computing kpt #: 69 total cpu time spent up to now is 50.6 secs Computing kpt #: 70 total cpu time spent up to now is 51.3 secs Computing kpt #: 71 total cpu time spent up to now is 52.0 secs Computing kpt #: 72 total cpu time spent up to now is 52.6 secs Computing kpt #: 73 total cpu time spent up to now is 53.3 secs Computing kpt #: 74 total cpu time spent up to now is 53.9 secs Computing kpt #: 75 total cpu time spent up to now is 54.6 secs Computing kpt #: 76 total cpu time spent up to now is 55.2 secs Computing kpt #: 77 total cpu time spent up to now is 55.9 secs Computing kpt #: 78 total cpu time spent up to now is 56.5 secs Computing kpt #: 79 total cpu time spent up to now is 57.1 secs Computing kpt #: 80 total cpu time spent up to now is 57.8 secs Computing kpt #: 81 total cpu time spent up to now is 58.4 secs Computing kpt #: 82 total cpu time spent up to now is 59.1 secs Computing kpt #: 83 total cpu time spent up to now is 59.7 secs Computing kpt #: 84 total cpu time spent up to now is 60.3 secs Computing kpt #: 85 total cpu time spent up to now is 61.0 secs Computing kpt #: 86 total cpu time spent up to now is 61.7 secs Computing kpt #: 87 total cpu time spent up to now is 62.3 secs Computing kpt #: 88 total cpu time spent up to now is 63.0 secs Computing kpt #: 89 total cpu time spent up to now is 63.7 secs Computing kpt #: 90 total cpu time spent up to now is 64.4 secs Computing kpt #: 91 total cpu time spent up to now is 65.2 secs Computing kpt #: 92 total cpu time spent up to now is 65.9 secs Computing kpt #: 93 total cpu time spent up to now is 66.7 secs Computing kpt #: 94 total cpu time spent up to now is 67.4 secs Computing kpt #: 95 total cpu time spent up to now is 68.2 secs Computing kpt #: 96 total cpu time spent up to now is 69.0 secs Computing kpt #: 97 total cpu time spent up to now is 69.7 secs Computing kpt #: 98 total cpu time spent up to now is 70.5 secs Computing kpt #: 99 total cpu time spent up to now is 71.3 secs Computing kpt #: 100 total cpu time spent up to now is 72.0 secs Computing kpt #: 101 total cpu time spent up to now is 72.8 secs Computing kpt #: 102 total cpu time spent up to now is 73.5 secs Computing kpt #: 103 total cpu time spent up to now is 74.3 secs Computing kpt #: 104 total cpu time spent up to now is 75.0 secs Computing kpt #: 105 total cpu time spent up to now is 75.7 secs Computing kpt #: 106 total cpu time spent up to now is 76.4 secs Computing kpt #: 107 total cpu time spent up to now is 77.2 secs Computing kpt #: 108 total cpu time spent up to now is 77.9 secs Computing kpt #: 109 total cpu time spent up to now is 78.6 secs Computing kpt #: 110 total cpu time spent up to now is 79.2 secs Computing kpt #: 111 total cpu time spent up to now is 79.9 secs Computing kpt #: 112 total cpu time spent up to now is 80.6 secs Computing kpt #: 113 total cpu time spent up to now is 81.3 secs Computing kpt #: 114 total cpu time spent up to now is 82.0 secs Computing kpt #: 115 total cpu time spent up to now is 82.7 secs Computing kpt #: 116 total cpu time spent up to now is 83.4 secs Computing kpt #: 117 total cpu time spent up to now is 84.1 secs Computing kpt #: 118 total cpu time spent up to now is 84.7 secs Computing kpt #: 119 total cpu time spent up to now is 85.4 secs Computing kpt #: 120 total cpu time spent up to now is 86.1 secs Computing kpt #: 121 total cpu time spent up to now is 86.8 secs Computing kpt #: 122 total cpu time spent up to now is 87.5 secs Computing kpt #: 123 total cpu time spent up to now is 88.2 secs Computing kpt #: 124 total cpu time spent up to now is 89.0 secs Computing kpt #: 125 total cpu time spent up to now is 89.7 secs Computing kpt #: 126 total cpu time spent up to now is 90.4 secs Computing kpt #: 127 total cpu time spent up to now is 91.2 secs Computing kpt #: 128 total cpu time spent up to now is 91.9 secs Computing kpt #: 129 total cpu time spent up to now is 92.7 secs Computing kpt #: 130 total cpu time spent up to now is 93.4 secs Computing kpt #: 131 total cpu time spent up to now is 94.2 secs Computing kpt #: 132 total cpu time spent up to now is 94.9 secs Computing kpt #: 133 total cpu time spent up to now is 95.7 secs Computing kpt #: 134 total cpu time spent up to now is 96.5 secs Computing kpt #: 135 total cpu time spent up to now is 97.2 secs Computing kpt #: 136 total cpu time spent up to now is 98.1 secs Computing kpt #: 137 total cpu time spent up to now is 98.8 secs Computing kpt #: 138 total cpu time spent up to now is 99.5 secs Computing kpt #: 139 total cpu time spent up to now is 100.3 secs Computing kpt #: 140 total cpu time spent up to now is 101.0 secs Computing kpt #: 141 total cpu time spent up to now is 101.7 secs Computing kpt #: 142 total cpu time spent up to now is 102.5 secs Computing kpt #: 143 total cpu time spent up to now is 103.2 secs Computing kpt #: 144 total cpu time spent up to now is 103.9 secs Computing kpt #: 145 total cpu time spent up to now is 104.6 secs Computing kpt #: 146 total cpu time spent up to now is 105.3 secs Computing kpt #: 147 total cpu time spent up to now is 106.0 secs Computing kpt #: 148 total cpu time spent up to now is 106.8 secs Computing kpt #: 149 total cpu time spent up to now is 107.6 secs Computing kpt #: 150 total cpu time spent up to now is 108.4 secs Computing kpt #: 151 total cpu time spent up to now is 109.2 secs Computing kpt #: 152 total cpu time spent up to now is 110.0 secs Computing kpt #: 153 total cpu time spent up to now is 110.9 secs Computing kpt #: 154 total cpu time spent up to now is 112.0 secs Computing kpt #: 155 total cpu time spent up to now is 113.2 secs Computing kpt #: 156 total cpu time spent up to now is 114.0 secs Computing kpt #: 157 total cpu time spent up to now is 114.8 secs Computing kpt #: 158 total cpu time spent up to now is 115.5 secs Computing kpt #: 159 total cpu time spent up to now is 116.3 secs Computing kpt #: 160 total cpu time spent up to now is 117.1 secs Computing kpt #: 161 total cpu time spent up to now is 118.0 secs Computing kpt #: 162 total cpu time spent up to now is 118.8 secs Computing kpt #: 163 total cpu time spent up to now is 119.7 secs Computing kpt #: 164 total cpu time spent up to now is 120.5 secs Computing kpt #: 165 total cpu time spent up to now is 121.4 secs Computing kpt #: 166 total cpu time spent up to now is 122.2 secs Computing kpt #: 167 total cpu time spent up to now is 123.1 secs Computing kpt #: 168 total cpu time spent up to now is 123.9 secs Computing kpt #: 169 total cpu time spent up to now is 124.8 secs Computing kpt #: 170 total cpu time spent up to now is 125.6 secs Computing kpt #: 171 total cpu time spent up to now is 126.4 secs Computing kpt #: 172 total cpu time spent up to now is 127.3 secs Computing kpt #: 173 total cpu time spent up to now is 128.1 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.2 secs Computing kpt #: 175 total cpu time spent up to now is 131.3 secs Computing kpt #: 176 total cpu time spent up to now is 132.3 secs Computing kpt #: 177 total cpu time spent up to now is 133.2 secs Computing kpt #: 178 total cpu time spent up to now is 134.1 secs Computing kpt #: 179 total cpu time spent up to now is 135.0 secs Computing kpt #: 180 total cpu time spent up to now is 135.9 secs Computing kpt #: 181 total cpu time spent up to now is 136.7 secs Computing kpt #: 182 total cpu time spent up to now is 137.6 secs Computing kpt #: 183 total cpu time spent up to now is 138.4 secs Computing kpt #: 184 total cpu time spent up to now is 139.3 secs Computing kpt #: 185 total cpu time spent up to now is 140.1 secs Computing kpt #: 186 total cpu time spent up to now is 141.0 secs Computing kpt #: 187 total cpu time spent up to now is 141.8 secs Computing kpt #: 188 total cpu time spent up to now is 142.5 secs Computing kpt #: 189 total cpu time spent up to now is 143.5 secs Computing kpt #: 190 total cpu time spent up to now is 144.3 secs Computing kpt #: 191 total cpu time spent up to now is 145.2 secs Computing kpt #: 192 total cpu time spent up to now is 146.1 secs Computing kpt #: 193 total cpu time spent up to now is 146.9 secs Computing kpt #: 194 total cpu time spent up to now is 147.7 secs Computing kpt #: 195 total cpu time spent up to now is 148.5 secs Computing kpt #: 196 total cpu time spent up to now is 149.4 secs Computing kpt #: 197 total cpu time spent up to now is 150.2 secs Computing kpt #: 198 total cpu time spent up to now is 151.0 secs Computing kpt #: 199 total cpu time spent up to now is 151.9 secs Computing kpt #: 200 total cpu time spent up to now is 152.7 secs Computing kpt #: 201 total cpu time spent up to now is 153.5 secs Computing kpt #: 202 total cpu time spent up to now is 154.3 secs Computing kpt #: 203 total cpu time spent up to now is 155.2 secs Computing kpt #: 204 total cpu time spent up to now is 156.0 secs Computing kpt #: 205 total cpu time spent up to now is 156.8 secs Computing kpt #: 206 total cpu time spent up to now is 157.7 secs Computing kpt #: 207 total cpu time spent up to now is 158.6 secs Computing kpt #: 208 total cpu time spent up to now is 159.4 secs Computing kpt #: 209 total cpu time spent up to now is 160.1 secs Computing kpt #: 210 total cpu time spent up to now is 160.8 secs Computing kpt #: 211 total cpu time spent up to now is 161.6 secs Computing kpt #: 212 total cpu time spent up to now is 162.3 secs Computing kpt #: 213 total cpu time spent up to now is 163.0 secs Computing kpt #: 214 total cpu time spent up to now is 163.7 secs Computing kpt #: 215 total cpu time spent up to now is 164.4 secs Computing kpt #: 216 total cpu time spent up to now is 165.2 secs Computing kpt #: 217 total cpu time spent up to now is 165.9 secs Computing kpt #: 218 total cpu time spent up to now is 166.7 secs Computing kpt #: 219 total cpu time spent up to now is 167.4 secs Computing kpt #: 220 total cpu time spent up to now is 168.1 secs Computing kpt #: 221 total cpu time spent up to now is 168.8 secs Computing kpt #: 222 total cpu time spent up to now is 169.6 secs Computing kpt #: 223 total cpu time spent up to now is 170.9 secs Computing kpt #: 224 total cpu time spent up to now is 171.6 secs Computing kpt #: 225 total cpu time spent up to now is 172.4 secs Computing kpt #: 226 total cpu time spent up to now is 173.1 secs Computing kpt #: 227 total cpu time spent up to now is 173.8 secs Computing kpt #: 228 total cpu time spent up to now is 174.6 secs Computing kpt #: 229 total cpu time spent up to now is 175.3 secs Computing kpt #: 230 total cpu time spent up to now is 176.0 secs Computing kpt #: 231 total cpu time spent up to now is 176.7 secs Computing kpt #: 232 total cpu time spent up to now is 177.4 secs Computing kpt #: 233 total cpu time spent up to now is 178.1 secs Computing kpt #: 234 total cpu time spent up to now is 178.8 secs Computing kpt #: 235 total cpu time spent up to now is 179.5 secs Computing kpt #: 236 total cpu time spent up to now is 180.2 secs Computing kpt #: 237 total cpu time spent up to now is 180.9 secs Computing kpt #: 238 total cpu time spent up to now is 181.7 secs Computing kpt #: 239 total cpu time spent up to now is 182.4 secs Computing kpt #: 240 total cpu time spent up to now is 183.2 secs Computing kpt #: 241 total cpu time spent up to now is 183.9 secs Computing kpt #: 242 total cpu time spent up to now is 184.6 secs Computing kpt #: 243 total cpu time spent up to now is 185.4 secs Computing kpt #: 244 total cpu time spent up to now is 186.3 secs Computing kpt #: 245 total cpu time spent up to now is 187.1 secs Computing kpt #: 246 total cpu time spent up to now is 187.9 secs Computing kpt #: 247 total cpu time spent up to now is 188.7 secs Computing kpt #: 248 total cpu time spent up to now is 189.6 secs Computing kpt #: 249 total cpu time spent up to now is 190.4 secs Computing kpt #: 250 total cpu time spent up to now is 191.2 secs Computing kpt #: 251 total cpu time spent up to now is 192.0 secs Computing kpt #: 252 total cpu time spent up to now is 192.7 secs Computing kpt #: 253 total cpu time spent up to now is 193.5 secs Computing kpt #: 254 total cpu time spent up to now is 194.2 secs Computing kpt #: 255 total cpu time spent up to now is 195.0 secs Computing kpt #: 256 total cpu time spent up to now is 195.7 secs Computing kpt #: 257 total cpu time spent up to now is 196.5 secs Computing kpt #: 258 total cpu time spent up to now is 197.2 secs Computing kpt #: 259 total cpu time spent up to now is 197.9 secs Computing kpt #: 260 total cpu time spent up to now is 198.5 secs Computing kpt #: 261 total cpu time spent up to now is 199.2 secs Computing kpt #: 262 total cpu time spent up to now is 199.8 secs Computing kpt #: 263 total cpu time spent up to now is 200.5 secs Computing kpt #: 264 total cpu time spent up to now is 201.1 secs Computing kpt #: 265 total cpu time spent up to now is 201.8 secs Computing kpt #: 266 total cpu time spent up to now is 202.4 secs Computing kpt #: 267 total cpu time spent up to now is 203.1 secs Computing kpt #: 268 total cpu time spent up to now is 203.7 secs Computing kpt #: 269 total cpu time spent up to now is 204.4 secs Computing kpt #: 270 total cpu time spent up to now is 205.4 secs Computing kpt #: 271 total cpu time spent up to now is 206.1 secs Computing kpt #: 272 total cpu time spent up to now is 206.8 secs Computing kpt #: 273 total cpu time spent up to now is 207.5 secs Computing kpt #: 274 total cpu time spent up to now is 208.1 secs Computing kpt #: 275 total cpu time spent up to now is 208.9 secs Computing kpt #: 276 total cpu time spent up to now is 209.6 secs Computing kpt #: 277 total cpu time spent up to now is 210.3 secs Computing kpt #: 278 total cpu time spent up to now is 211.1 secs Computing kpt #: 279 total cpu time spent up to now is 211.9 secs Computing kpt #: 280 total cpu time spent up to now is 212.7 secs Computing kpt #: 281 total cpu time spent up to now is 213.5 secs ethr = 1.92E-08, avg # of iterations = 19.6 total cpu time spent up to now is 213.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -18.6475 -18.6475 -18.6282 -18.6282 -5.4011 -5.4011 -5.2434 -5.2434 -3.7080 -3.7080 -3.2320 -3.2320 -3.2037 -3.2037 -3.1553 -3.1553 -1.5282 -1.5282 -0.6858 -0.6858 3.5272 3.5272 3.6862 3.6862 3.8639 3.8639 4.0323 4.0323 4.0867 4.0867 4.2648 4.2648 4.5277 4.5277 4.6044 4.6044 4.6961 4.6961 4.8844 4.8844 5.9227 5.9227 8.3059 8.3059 8.5901 8.5901 8.6245 8.6245 9.3262 9.3262 9.3464 9.3464 9.4450 9.4450 10.1095 10.1095 10.2204 10.2204 11.1201 11.1201 11.1629 11.1629 k = 0.0125 0.0072-0.0000 ( 5865 PWs) bands (ev): -18.6475 -18.6475 -18.6282 -18.6282 -5.4010 -5.4010 -5.2436 -5.2436 -3.7078 -3.7078 -3.2323 -3.2323 -3.2044 -3.2044 -3.1556 -3.1556 -1.5267 -1.5267 -0.6865 -0.6865 3.5280 3.5280 3.6862 3.6862 3.8647 3.8647 4.0321 4.0321 4.0871 4.0871 4.2645 4.2645 4.5278 4.5278 4.6046 4.6046 4.6956 4.6956 4.8843 4.8843 5.9260 5.9260 8.3044 8.3044 8.5832 8.5832 8.6189 8.6189 9.2259 9.2259 9.3779 9.3779 9.5009 9.5009 10.1190 10.1190 10.2212 10.2212 11.1302 11.1302 11.1725 11.1725 k = 0.0250 0.0144-0.0000 ( 5865 PWs) bands (ev): -18.6474 -18.6474 -18.6281 -18.6281 -5.4009 -5.4009 -5.2442 -5.2442 -3.7073 -3.7073 -3.2329 -3.2329 -3.2066 -3.2066 -3.1568 -3.1568 -1.5221 -1.5221 -0.6885 -0.6885 3.5302 3.5302 3.6862 3.6862 3.8670 3.8670 4.0315 4.0315 4.0886 4.0886 4.2637 4.2637 4.5283 4.5283 4.6051 4.6051 4.6938 4.6938 4.8837 4.8837 5.9360 5.9360 8.3001 8.3001 8.5560 8.5560 8.6098 8.6098 9.1007 9.1007 9.3618 9.3618 9.6038 9.6038 10.1471 10.1471 10.2237 10.2237 11.1595 11.1595 11.2019 11.2019 k = 0.0375 0.0217-0.0000 ( 5851 PWs) bands (ev): -18.6472 -18.6472 -18.6280 -18.6280 -5.4008 -5.4008 -5.2452 -5.2452 -3.7063 -3.7063 -3.2342 -3.2342 -3.2100 -3.2100 -3.1586 -3.1586 -1.5145 -1.5145 -0.6918 -0.6918 3.5340 3.5340 3.6862 3.6862 3.8709 3.8709 4.0307 4.0307 4.0909 4.0909 4.2622 4.2622 4.5291 4.5291 4.6061 4.6061 4.6911 4.6911 4.8829 4.8829 5.9524 5.9524 8.2929 8.2929 8.5056 8.5056 8.6029 8.6029 8.9700 8.9700 9.3271 9.3271 9.7060 9.7060 10.1921 10.1921 10.2282 10.2282 11.2045 11.2045 11.2519 11.2519 k = 0.0500 0.0289-0.0000 ( 5855 PWs) bands (ev): -18.6470 -18.6470 -18.6277 -18.6277 -5.4006 -5.4006 -5.2466 -5.2466 -3.7050 -3.7050 -3.2367 -3.2367 -3.2140 -3.2140 -3.1612 -3.1612 -1.5040 -1.5040 -0.6964 -0.6964 3.5393 3.5393 3.6862 3.6862 3.8762 3.8762 4.0297 4.0297 4.0940 4.0940 4.2602 4.2602 4.5301 4.5301 4.6073 4.6073 4.6874 4.6874 4.8818 4.8818 5.9752 5.9752 8.2828 8.2828 8.4372 8.4372 8.5961 8.5961 8.8367 8.8367 9.2797 9.2797 9.7996 9.7996 10.2293 10.2293 10.2584 10.2584 11.2612 11.2612 11.3229 11.3229 k = 0.0625 0.0361-0.0000 ( 5859 PWs) bands (ev): -18.6467 -18.6467 -18.6275 -18.6275 -5.4003 -5.4003 -5.2484 -5.2484 -3.7033 -3.7033 -3.2408 -3.2408 -3.2180 -3.2180 -3.1645 -3.1645 -1.4907 -1.4907 -0.7022 -0.7022 3.5459 3.5459 3.6862 3.6862 3.8829 3.8829 4.0286 4.0286 4.0977 4.0977 4.2578 4.2578 4.5315 4.5315 4.6087 4.6087 4.6830 4.6830 4.8805 4.8805 6.0039 6.0039 8.2693 8.2693 8.3557 8.3557 8.5881 8.5881 8.7029 8.7029 9.2222 9.2222 9.8817 9.8817 10.2366 10.2366 10.3357 10.3357 11.3272 11.3272 11.4131 11.4131 k = 0.0750 0.0433-0.0000 ( 5855 PWs) bands (ev): -18.6463 -18.6463 -18.6272 -18.6272 -5.4000 -5.4000 -5.2505 -5.2505 -3.7013 -3.7013 -3.2473 -3.2473 -3.2212 -3.2212 -3.1685 -3.1685 -1.4748 -1.4748 -0.7092 -0.7092 3.5540 3.5540 3.6862 3.6862 3.8909 3.8909 4.0277 4.0277 4.1021 4.1021 4.2549 4.2549 4.5330 4.5330 4.6102 4.6102 4.6781 4.6781 4.8791 4.8791 6.0382 6.0382 8.2433 8.2433 8.2732 8.2732 8.5630 8.5630 8.5858 8.5858 9.1568 9.1568 9.9513 9.9513 10.2437 10.2437 10.4291 10.4291 11.4008 11.4008 11.5184 11.5184 k = 0.0875 0.0505-0.0000 ( 5857 PWs) bands (ev): -18.6459 -18.6459 -18.6268 -18.6268 -5.3996 -5.3996 -5.2531 -5.2531 -3.6988 -3.6988 -3.2562 -3.2562 -3.2234 -3.2234 -3.1731 -3.1731 -1.4564 -1.4564 -0.7173 -0.7173 3.5634 3.5634 3.6863 3.6863 3.9000 3.9000 4.0271 4.0271 4.1069 4.1069 4.2516 4.2516 4.5347 4.5347 4.6116 4.6116 4.6732 4.6732 4.8777 4.8777 6.0778 6.0778 8.1539 8.1539 8.2419 8.2419 8.4382 8.4382 8.5701 8.5701 9.0853 9.0853 10.0092 10.0092 10.2519 10.2519 10.5353 10.5353 11.4806 11.4806 11.6071 11.6071 k = 0.1000 0.0577-0.0000 ( 5855 PWs) bands (ev): -18.6454 -18.6454 -18.6263 -18.6263 -5.3993 -5.3993 -5.2559 -5.2559 -3.6960 -3.6960 -3.2669 -3.2669 -3.2249 -3.2249 -3.1782 -3.1782 -1.4358 -1.4358 -0.7264 -0.7264 3.5741 3.5741 3.6864 3.6864 3.9103 3.9103 4.0269 4.0269 4.1123 4.1123 4.2482 4.2482 4.5365 4.5365 4.6127 4.6127 4.6687 4.6687 4.8763 4.8763 6.1223 6.1223 8.0442 8.0442 8.2170 8.2170 8.3166 8.3166 8.5574 8.5574 9.0093 9.0093 10.0568 10.0568 10.2623 10.2623 10.6512 10.6512 11.5508 11.5508 11.5732 11.5732 k = 0.1125 0.0650-0.0000 ( 5855 PWs) bands (ev): -18.6448 -18.6448 -18.6259 -18.6259 -5.3989 -5.3989 -5.2591 -5.2591 -3.6929 -3.6929 -3.2791 -3.2791 -3.2260 -3.2260 -3.1840 -3.1840 -1.4132 -1.4132 -0.7365 -0.7365 3.5861 3.5861 3.6867 3.6867 3.9214 3.9214 4.0271 4.0271 4.1180 4.1180 4.2446 4.2446 4.5384 4.5384 4.6130 4.6130 4.6650 4.6650 4.8750 4.8750 6.1713 6.1713 7.9264 7.9264 8.1611 8.1611 8.2300 8.2300 8.5428 8.5428 8.9303 8.9303 10.0947 10.0947 10.2762 10.2762 10.7741 10.7741 11.4969 11.4969 11.6558 11.6558 k = 0.1250 0.0722-0.0000 ( 5855 PWs) bands (ev): -18.6442 -18.6442 -18.6253 -18.6253 -5.3985 -5.3985 -5.2626 -5.2626 -3.6894 -3.6894 -3.2925 -3.2925 -3.2270 -3.2270 -3.1902 -3.1902 -1.3888 -1.3888 -0.7474 -0.7474 3.5992 3.5992 3.6870 3.6870 3.9332 3.9332 4.0280 4.0280 4.1241 4.1241 4.2410 4.2410 4.5403 4.5403 4.6123 4.6123 4.6627 4.6627 4.8737 4.8737 6.2244 6.2244 7.8025 7.8025 8.0563 8.0563 8.1965 8.1965 8.5260 8.5260 8.8495 8.8495 10.1228 10.1228 10.2955 10.2955 10.9015 10.9015 11.4326 11.4326 11.7465 11.7465 k = 0.1375 0.0794-0.0000 ( 5861 PWs) bands (ev): -18.6436 -18.6436 -18.6248 -18.6248 -5.3981 -5.3981 -5.2664 -5.2664 -3.6855 -3.6855 -3.3067 -3.3067 -3.2278 -3.2278 -3.1969 -3.1969 -1.3629 -1.3629 -0.7591 -0.7591 3.6134 3.6134 3.6875 3.6875 3.9456 3.9456 4.0295 4.0295 4.1305 4.1305 4.2376 4.2376 4.5420 4.5420 4.6103 4.6103 4.6622 4.6622 4.8726 4.8726 6.2813 6.2813 7.6741 7.6741 7.9459 7.9459 8.1725 8.1725 8.5064 8.5064 8.7683 8.7683 10.1411 10.1411 10.3217 10.3217 11.0312 11.0312 11.3647 11.3647 11.8387 11.8387 k = 0.1500 0.0866-0.0000 ( 5878 PWs) bands (ev): -18.6429 -18.6429 -18.6242 -18.6242 -5.3977 -5.3977 -5.2705 -5.2705 -3.6814 -3.6814 -3.3216 -3.3216 -3.2286 -3.2286 -3.2039 -3.2039 -1.3357 -1.3357 -0.7713 -0.7713 3.6285 3.6285 3.6883 3.6883 3.9583 3.9583 4.0318 4.0318 4.1372 4.1372 4.2346 4.2346 4.5434 4.5434 4.6074 4.6074 4.6633 4.6633 4.8715 4.8715 6.3415 6.3415 7.5428 7.5428 7.8378 7.8378 8.1498 8.1498 8.4828 8.4828 8.6886 8.6886 10.1502 10.1502 10.3548 10.3548 11.1604 11.1604 11.2958 11.2958 11.9312 11.9312 k = 0.1625 0.0938-0.0000 ( 5876 PWs) bands (ev): -18.6421 -18.6421 -18.6235 -18.6235 -5.3974 -5.3974 -5.2748 -5.2748 -3.6769 -3.6769 -3.3370 -3.3370 -3.2294 -3.2294 -3.2112 -3.2112 -1.3075 -1.3075 -0.7840 -0.7840 3.6445 3.6445 3.6894 3.6894 3.9709 3.9709 4.0350 4.0350 4.1442 4.1442 4.2322 4.2322 4.5445 4.5445 4.6039 4.6039 4.6658 4.6658 4.8706 4.8706 6.4048 6.4048 7.4103 7.4103 7.7324 7.7324 8.1274 8.1274 8.4530 8.4530 8.6133 8.6133 10.1519 10.1519 10.3936 10.3936 11.2140 11.2140 11.2999 11.2999 12.0228 12.0228 k = 0.1750 0.1010-0.0000 ( 5870 PWs) bands (ev): -18.6414 -18.6414 -18.6228 -18.6228 -5.3971 -5.3971 -5.2794 -5.2794 -3.6722 -3.6722 -3.3527 -3.3527 -3.2303 -3.2303 -3.2185 -3.2185 -1.2786 -1.2786 -0.7970 -0.7970 3.6611 3.6611 3.6912 3.6912 3.9832 3.9832 4.0392 4.0392 4.1513 4.1513 4.2307 4.2307 4.5449 4.5449 4.6005 4.6005 4.6694 4.6694 4.8698 4.8698 6.4708 6.4708 7.2776 7.2776 7.6296 7.6296 8.1051 8.1051 8.4125 8.4125 8.5474 8.5474 10.1477 10.1477 10.4368 10.4368 11.1442 11.1442 11.4240 11.4240 12.1120 12.1120 k = 0.1875 0.1083-0.0000 ( 5868 PWs) bands (ev): -18.6406 -18.6406 -18.6221 -18.6221 -5.3969 -5.3969 -5.2842 -5.2842 -3.6672 -3.6672 -3.3685 -3.3685 -3.2320 -3.2320 -3.2253 -3.2253 -1.2493 -1.2493 -0.8100 -0.8100 3.6774 3.6774 3.6944 3.6944 3.9946 3.9946 4.0445 4.0445 4.1585 4.1585 4.2304 4.2304 4.5446 4.5446 4.5977 4.5977 4.6737 4.6737 4.8690 4.8690 6.5391 6.5391 7.1458 7.1458 7.5291 7.5291 8.0830 8.0830 8.3570 8.3570 8.4957 8.4957 10.1387 10.1387 10.4837 10.4837 11.0706 11.0706 11.5472 11.5472 12.1950 12.1950 k = 0.2000 0.1155-0.0000 ( 5870 PWs) bands (ev): -18.6397 -18.6397 -18.6214 -18.6214 -5.3967 -5.3967 -5.2891 -5.2891 -3.6620 -3.6620 -3.3844 -3.3844 -3.2369 -3.2369 -3.2291 -3.2291 -1.2200 -1.2200 -0.8228 -0.8228 3.6889 3.6889 3.7035 3.7035 4.0048 4.0048 4.0509 4.0509 4.1656 4.1656 4.2318 4.2318 4.5434 4.5434 4.5957 4.5957 4.6786 4.6786 4.8684 4.8684 6.6093 6.6093 7.0154 7.0154 7.4307 7.4307 8.0610 8.0610 8.2891 8.2891 8.4563 8.4563 10.1255 10.1255 10.5336 10.5336 10.9967 10.9967 11.6651 11.6651 12.2640 12.2640 k = 0.2125 0.1227-0.0000 ( 5870 PWs) bands (ev): -18.6389 -18.6389 -18.6206 -18.6206 -5.3966 -5.3966 -5.2942 -5.2942 -3.6567 -3.6567 -3.4002 -3.4002 -3.2442 -3.2442 -3.2304 -3.2304 -1.1910 -1.1910 -0.8352 -0.8352 3.6942 3.6942 3.7202 3.7202 4.0135 4.0135 4.0585 4.0585 4.1724 4.1724 4.2351 4.2351 4.5412 4.5412 4.5947 4.5947 4.6837 4.6837 4.8679 4.8679 6.6810 6.6810 6.8873 6.8873 7.3343 7.3343 8.0388 8.0388 8.2156 8.2156 8.4233 8.4233 10.1087 10.1087 10.5862 10.5862 10.9230 10.9230 11.7756 11.7756 12.3248 12.3248 k = 0.2250 0.1299-0.0000 ( 5864 PWs) bands (ev): -18.6380 -18.6380 -18.6199 -18.6199 -5.3966 -5.3966 -5.2993 -5.2993 -3.6512 -3.6512 -3.4157 -3.4157 -3.2521 -3.2521 -3.2312 -3.2312 -1.1628 -1.1628 -0.8466 -0.8466 3.6983 3.6983 3.7391 3.7391 4.0207 4.0207 4.0668 4.0668 4.1791 4.1791 4.2408 4.2408 4.5383 4.5383 4.5947 4.5947 4.6891 4.6891 4.8674 4.8674 6.7469 6.7469 6.7686 6.7686 7.2400 7.2400 8.0156 8.0156 8.1416 8.1416 8.3930 8.3930 10.0888 10.0888 10.6411 10.6411 10.8500 10.8500 11.8777 11.8777 12.3852 12.3852 k = 0.2375 0.1371-0.0000 ( 5864 PWs) bands (ev): -18.6371 -18.6371 -18.6191 -18.6191 -5.3967 -5.3967 -5.3046 -5.3046 -3.6456 -3.6456 -3.4310 -3.4310 -3.2600 -3.2600 -3.2318 -3.2318 -1.1363 -1.1363 -0.8567 -0.8567 3.7028 3.7028 3.7587 3.7587 4.0265 4.0265 4.0754 4.0754 4.1855 4.1855 4.2488 4.2488 4.5349 4.5349 4.5954 4.5954 4.6946 4.6946 4.8670 4.8670 6.6371 6.6371 6.8291 6.8291 7.1477 7.1477 7.9875 7.9875 8.0733 8.0733 8.3637 8.3637 10.0659 10.0659 10.6973 10.6973 10.7787 10.7787 11.9709 11.9709 12.4466 12.4466 k = 0.2500 0.1443-0.0000 ( 5852 PWs) bands (ev): -18.6363 -18.6363 -18.6183 -18.6183 -5.3968 -5.3968 -5.3099 -5.3099 -3.6400 -3.6400 -3.4458 -3.4458 -3.2679 -3.2679 -3.2324 -3.2324 -1.1120 -1.1120 -0.8644 -0.8644 3.7082 3.7082 3.7787 3.7787 4.0311 4.0311 4.0838 4.0838 4.1921 4.1921 4.2591 4.2591 4.5312 4.5312 4.5969 4.5969 4.7001 4.7001 4.8667 4.8667 6.5174 6.5174 6.9026 6.9026 7.0580 7.0580 7.9439 7.9439 8.0225 8.0225 8.3348 8.3348 10.0407 10.0407 10.7019 10.7019 10.7620 10.7620 12.0558 12.0558 12.5089 12.5089 k = 0.2625 0.1516-0.0000 ( 5852 PWs) bands (ev): -18.6354 -18.6354 -18.6175 -18.6175 -5.3970 -5.3970 -5.3153 -5.3153 -3.6344 -3.6344 -3.4601 -3.4601 -3.2756 -3.2756 -3.2329 -3.2329 -1.0912 -1.0912 -0.8691 -0.8691 3.7145 3.7145 3.7987 3.7987 4.0347 4.0347 4.0917 4.0917 4.1989 4.1989 4.2713 4.2713 4.5276 4.5276 4.5987 4.5987 4.7054 4.7054 4.8663 4.8663 6.4009 6.4009 6.9568 6.9568 6.9899 6.9899 7.8815 7.8815 7.9934 7.9934 8.3060 8.3060 10.0134 10.0134 10.6331 10.6331 10.8216 10.8216 12.1339 12.1339 12.5717 12.5717 k = 0.2750 0.1588-0.0000 ( 5840 PWs) bands (ev): -18.6345 -18.6345 -18.6168 -18.6168 -5.3973 -5.3973 -5.3206 -5.3206 -3.6290 -3.6290 -3.4738 -3.4738 -3.2830 -3.2830 -3.2334 -3.2334 -1.0750 -1.0750 -0.8694 -0.8694 3.7218 3.7218 3.8188 3.8188 4.0376 4.0376 4.0989 4.0989 4.2062 4.2062 4.2851 4.2851 4.5241 4.5241 4.6008 4.6008 4.7107 4.7107 4.8660 4.8660 6.2880 6.2880 6.8805 6.8805 7.0541 7.0541 7.8124 7.8124 7.9748 7.9748 8.2773 8.2773 9.9846 9.9846 10.5635 10.5635 10.8847 10.8847 12.2071 12.2071 12.6330 12.6330 k = 0.2875 0.1660-0.0000 ( 5822 PWs) bands (ev): -18.6336 -18.6336 -18.6160 -18.6160 -5.3976 -5.3976 -5.3258 -5.3258 -3.6238 -3.6238 -3.4868 -3.4868 -3.2902 -3.2902 -3.2339 -3.2339 -1.0642 -1.0642 -0.8647 -0.8647 3.7304 3.7304 3.8384 3.8384 4.0400 4.0400 4.1055 4.1055 4.2139 4.2139 4.3002 4.3002 4.5210 4.5210 4.6031 4.6031 4.7157 4.7157 4.8657 4.8657 6.1789 6.1789 6.7975 6.7975 7.1263 7.1263 7.7426 7.7426 7.9612 7.9612 8.2488 8.2488 9.9547 9.9547 10.4947 10.4947 10.9496 10.9496 12.2775 12.2775 12.6608 12.6608 k = 0.3000 0.1732-0.0000 ( 5824 PWs) bands (ev): -18.6328 -18.6328 -18.6153 -18.6153 -5.3981 -5.3981 -5.3310 -5.3310 -3.6190 -3.6190 -3.4990 -3.4990 -3.2969 -3.2969 -3.2343 -3.2343 -1.0591 -1.0591 -0.8547 -0.8547 3.7402 3.7402 3.8575 3.8575 4.0420 4.0420 4.1112 4.1112 4.2221 4.2221 4.3161 4.3161 4.5183 4.5183 4.6055 4.6055 4.7204 4.7204 4.8654 4.8654 6.0737 6.0737 6.7166 6.7166 7.1969 7.1969 7.6741 7.6741 7.9512 7.9512 8.2207 8.2207 9.9242 9.9242 10.4267 10.4267 11.0161 11.0161 12.3469 12.3469 12.6454 12.6454 k = 0.3125 0.1804-0.0000 ( 5822 PWs) bands (ev): -18.6319 -18.6319 -18.6145 -18.6145 -5.3986 -5.3986 -5.3360 -5.3360 -3.6147 -3.6147 -3.5102 -3.5102 -3.3033 -3.3033 -3.2347 -3.2347 -1.0588 -1.0588 -0.8405 -0.8405 3.7512 3.7512 3.8758 3.8758 4.0440 4.0440 4.1162 4.1162 4.2306 4.2306 4.3327 4.3327 4.5163 4.5163 4.6079 4.6079 4.7247 4.7247 4.8650 4.8650 5.9729 5.9729 6.6384 6.6384 7.2647 7.2647 7.6081 7.6081 7.9448 7.9448 8.1931 8.1931 9.8935 9.8935 10.3596 10.3596 11.0839 11.0839 12.4167 12.4167 12.6314 12.6314 k = 0.3250 0.1876-0.0000 ( 5810 PWs) bands (ev): -18.6311 -18.6311 -18.6138 -18.6138 -5.3991 -5.3991 -5.3409 -5.3409 -3.6110 -3.6110 -3.5203 -3.5203 -3.3092 -3.3092 -3.2350 -3.2350 -1.0622 -1.0622 -0.8231 -0.8231 3.7636 3.7636 3.8929 3.8929 4.0464 4.0464 4.1204 4.1204 4.2393 4.2393 4.3497 4.3497 4.5149 4.5149 4.6103 4.6103 4.7285 4.7285 4.8647 4.8647 5.8764 5.8764 6.5631 6.5631 7.3282 7.3282 7.5453 7.5453 7.9425 7.9425 8.1663 8.1663 9.8630 9.8630 10.2935 10.2935 11.1528 11.1528 12.4875 12.4875 12.6214 12.6214 k = 0.3375 0.1949-0.0000 ( 5822 PWs) bands (ev): -18.6304 -18.6304 -18.6131 -18.6131 -5.3997 -5.3997 -5.3456 -5.3456 -3.6082 -3.6082 -3.5292 -3.5292 -3.3147 -3.3147 -3.2354 -3.2354 -1.0680 -1.0680 -0.8041 -0.8041 3.7772 3.7772 3.9085 3.9085 4.0495 4.0495 4.1236 4.1236 4.2479 4.2479 4.3668 4.3668 4.5142 4.5142 4.6127 4.6127 4.7317 4.7317 4.8644 4.8644 5.7845 5.7845 6.4911 6.4911 7.3839 7.3839 7.4882 7.4882 7.9447 7.9447 8.1407 8.1407 9.8331 9.8331 10.2283 10.2283 11.2227 11.2227 12.5589 12.5589 12.6167 12.6167 k = 0.3500 0.2021-0.0000 ( 5810 PWs) bands (ev): -18.6296 -18.6296 -18.6125 -18.6125 -5.4003 -5.4003 -5.3501 -5.3501 -3.6064 -3.6064 -3.5366 -3.5366 -3.3196 -3.3196 -3.2357 -3.2357 -1.0753 -1.0753 -0.7843 -0.7843 3.7920 3.7920 3.9222 3.9222 4.0537 4.0537 4.1260 4.1260 4.2564 4.2564 4.3838 4.3838 4.5143 4.5143 4.6150 4.6150 4.7341 4.7341 4.8642 4.8642 5.6975 5.6975 6.4227 6.4227 7.4047 7.4047 7.4630 7.4630 7.9522 7.9522 8.1169 8.1169 9.8042 9.8042 10.1644 10.1644 11.2932 11.2932 12.6091 12.6091 12.6389 12.6389 k = 0.3625 0.2093-0.0000 ( 5818 PWs) bands (ev): -18.6289 -18.6289 -18.6119 -18.6119 -5.4010 -5.4010 -5.3544 -5.3544 -3.6059 -3.6059 -3.5423 -3.5423 -3.3240 -3.3240 -3.2359 -3.2359 -1.0833 -1.0833 -0.7646 -0.7646 3.8078 3.8078 3.9340 3.9340 4.0593 4.0593 4.1272 4.1272 4.2644 4.2644 4.4007 4.4007 4.5153 4.5153 4.6173 4.6173 4.7357 4.7357 4.8642 4.8642 5.6154 5.6154 6.3581 6.3581 7.3627 7.3627 7.4965 7.4965 7.9649 7.9649 8.0957 8.0957 9.7766 9.7766 10.1018 10.1018 11.3642 11.3642 12.6157 12.6157 12.7070 12.7070 k = 0.3750 0.2165-0.0000 ( 5814 PWs) bands (ev): -18.6283 -18.6283 -18.6113 -18.6113 -5.4016 -5.4016 -5.3583 -5.3583 -3.6066 -3.6066 -3.5464 -3.5464 -3.3278 -3.3278 -3.2362 -3.2362 -1.0915 -1.0915 -0.7454 -0.7454 3.8246 3.8246 3.9436 3.9436 4.0664 4.0664 4.1274 4.1274 4.2719 4.2719 4.4173 4.4173 4.5171 4.5171 4.6196 4.6196 4.7361 4.7361 4.8647 4.8647 5.5386 5.5386 6.2977 6.2977 7.3142 7.3142 7.5319 7.5319 7.9809 7.9809 8.0798 8.0798 9.7505 9.7505 10.0408 10.0408 11.4354 11.4354 12.6239 12.6239 12.7649 12.7649 k = 0.3875 0.2237-0.0000 ( 5808 PWs) bands (ev): -18.6277 -18.6277 -18.6108 -18.6108 -5.4023 -5.4023 -5.3620 -5.3620 -3.6085 -3.6085 -3.5490 -3.5490 -3.3311 -3.3311 -3.2364 -3.2364 -1.0995 -1.0995 -0.7273 -0.7273 3.8419 3.8419 3.9515 3.9515 4.0748 4.0748 4.1264 4.1264 4.2785 4.2785 4.4335 4.4335 4.5196 4.5196 4.6218 4.6218 4.7351 4.7351 4.8657 4.8657 5.4672 5.4672 6.2418 6.2418 7.2683 7.2683 7.5602 7.5602 7.9936 7.9936 8.0752 8.0752 9.7262 9.7262 9.9819 9.9819 11.5064 11.5064 12.6354 12.6354 12.7835 12.7835 k = 0.4000 0.2309-0.0000 ( 5806 PWs) bands (ev): -18.6271 -18.6271 -18.6103 -18.6103 -5.4029 -5.4029 -5.3653 -5.3653 -3.6112 -3.6112 -3.5504 -3.5504 -3.3339 -3.3339 -3.2366 -3.2366 -1.1072 -1.1072 -0.7105 -0.7105 3.8593 3.8593 3.9582 3.9582 4.0841 4.0841 4.1242 4.1242 4.2841 4.2841 4.4493 4.4493 4.5228 4.5228 4.6239 4.6239 4.7326 4.7326 4.8674 4.8674 5.4014 5.4014 6.1906 6.1906 7.2261 7.2261 7.5814 7.5814 7.9941 7.9941 8.0899 8.0899 9.7039 9.7039 9.9255 9.9255 11.5771 11.5771 12.6491 12.6491 12.7614 12.7614 k = 0.4125 0.2382-0.0000 ( 5808 PWs) bands (ev): -18.6266 -18.6266 -18.6098 -18.6098 -5.4035 -5.4035 -5.3683 -5.3683 -3.6144 -3.6144 -3.5509 -3.5509 -3.3363 -3.3363 -3.2368 -3.2368 -1.1143 -1.1143 -0.6953 -0.6953 3.8762 3.8762 3.9644 3.9644 4.0938 4.0938 4.1206 4.1206 4.2886 4.2886 4.4647 4.4647 4.5263 4.5263 4.6262 4.6262 4.7283 4.7283 4.8701 4.8701 5.3417 5.3417 6.1446 6.1446 7.1882 7.1882 7.5964 7.5964 7.9851 7.9851 8.1191 8.1191 9.6837 9.6837 9.8724 9.8724 11.6468 11.6468 12.6606 12.6606 12.7267 12.7267 k = 0.4250 0.2454-0.0000 ( 5814 PWs) bands (ev): -18.6262 -18.6262 -18.6095 -18.6095 -5.4041 -5.4041 -5.3709 -5.3709 -3.6176 -3.6176 -3.5509 -3.5509 -3.3382 -3.3382 -3.2369 -3.2369 -1.1207 -1.1207 -0.6817 -0.6817 3.8918 3.8918 3.9713 3.9713 4.1028 4.1028 4.1163 4.1163 4.2920 4.2920 4.4794 4.4794 4.5300 4.5300 4.6284 4.6284 4.7222 4.7222 4.8739 4.8739 5.2881 5.2881 6.1041 6.1041 7.1547 7.1547 7.6068 7.6068 7.9733 7.9733 8.1541 8.1541 9.6658 9.6658 9.8234 9.8234 11.7150 11.7150 12.6491 12.6491 12.7100 12.7100 k = 0.4375 0.2526-0.0000 ( 5806 PWs) bands (ev): -18.6258 -18.6258 -18.6091 -18.6091 -5.4046 -5.4046 -5.3731 -5.3731 -3.6207 -3.6207 -3.5506 -3.5506 -3.3397 -3.3397 -3.2370 -3.2370 -1.1263 -1.1263 -0.6701 -0.6701 3.9049 3.9049 3.9800 3.9800 4.1055 4.1055 4.1163 4.1163 4.2943 4.2943 4.4935 4.4935 4.5338 4.5338 4.6309 4.6309 4.7145 4.7145 4.8786 4.8786 5.2412 5.2412 6.0692 6.0692 7.1260 7.1260 7.6136 7.6136 7.9617 7.9617 8.1897 8.1897 9.6501 9.6501 9.7794 9.7794 11.7808 11.7808 12.6077 12.6077 12.7212 12.7212 k = 0.4500 0.2598-0.0000 ( 5810 PWs) bands (ev): -18.6255 -18.6255 -18.6089 -18.6089 -5.4050 -5.4050 -5.3750 -5.3750 -3.6234 -3.6234 -3.5503 -3.5503 -3.3408 -3.3408 -3.2371 -3.2371 -1.1310 -1.1310 -0.6604 -0.6604 3.9149 3.9149 3.9910 3.9910 4.0986 4.0986 4.1233 4.1233 4.2955 4.2955 4.5065 4.5065 4.5373 4.5373 4.6335 4.6335 4.7055 4.7055 4.8840 4.8840 5.2011 5.2011 6.0404 6.0404 7.1023 7.1023 7.6181 7.6181 7.9516 7.9516 8.2227 8.2227 9.6367 9.6367 9.7415 9.7415 11.8429 11.8429 12.5598 12.5598 12.7381 12.7381 k = 0.4625 0.2670-0.0000 ( 5802 PWs) bands (ev): -18.6253 -18.6253 -18.6086 -18.6086 -5.4054 -5.4054 -5.3764 -5.3764 -3.6256 -3.6256 -3.5500 -3.5500 -3.3417 -3.3417 -3.2372 -3.2372 -1.1347 -1.1347 -0.6527 -0.6527 3.9216 3.9216 4.0044 4.0044 4.0890 4.0890 4.1301 4.1301 4.2961 4.2961 4.5177 4.5177 4.5405 4.5405 4.6365 4.6365 4.6959 4.6959 4.8897 4.8897 5.1686 5.1686 6.0177 6.0177 7.0836 7.0836 7.6208 7.6208 7.9434 7.9434 8.2509 8.2509 9.6257 9.6257 9.7109 9.7109 11.8992 11.8992 12.5132 12.5132 12.7540 12.7540 k = 0.4750 0.2742-0.0000 ( 5802 PWs) bands (ev): -18.6251 -18.6251 -18.6085 -18.6085 -5.4056 -5.4056 -5.3775 -5.3775 -3.6272 -3.6272 -3.5497 -3.5497 -3.3422 -3.3422 -3.2372 -3.2372 -1.1373 -1.1373 -0.6473 -0.6473 3.9256 3.9256 4.0194 4.0194 4.0775 4.0775 4.1354 4.1354 4.2961 4.2961 4.5263 4.5263 4.5435 4.5435 4.6398 4.6398 4.6866 4.6866 4.8949 4.8949 5.1444 5.1444 6.0013 6.0013 7.0702 7.0702 7.6225 7.6225 7.9374 7.9374 8.2725 8.2725 9.6173 9.6173 9.6887 9.6887 11.9461 11.9461 12.4727 12.4727 12.7668 12.7668 k = 0.4875 0.2815-0.0000 ( 5802 PWs) bands (ev): -18.6250 -18.6250 -18.6084 -18.6084 -5.4058 -5.4058 -5.3781 -5.3781 -3.6282 -3.6282 -3.5495 -3.5495 -3.3426 -3.3426 -3.2373 -3.2373 -1.1390 -1.1390 -0.6439 -0.6439 3.9277 3.9277 4.0348 4.0348 4.0646 4.0646 4.1388 4.1388 4.2961 4.2961 4.5315 4.5315 4.5458 4.5458 4.6429 4.6429 4.6792 4.6792 4.8986 4.8986 5.1292 5.1292 5.9915 5.9915 7.0621 7.0621 7.6234 7.6234 7.9338 7.9338 8.2860 8.2860 9.6117 9.6117 9.6754 9.6754 11.9785 11.9785 12.4441 12.4441 12.7750 12.7750 k = 0.5000 0.2887-0.0000 ( 5798 PWs) bands (ev): -18.6250 -18.6250 -18.6084 -18.6084 -5.4059 -5.4059 -5.3783 -5.3783 -3.6286 -3.6286 -3.5494 -3.5494 -3.3427 -3.3427 -3.2373 -3.2373 -1.1395 -1.1395 -0.6428 -0.6428 3.9284 3.9284 4.0477 4.0477 4.0526 4.0526 4.1399 4.1399 4.2960 4.2960 4.5331 4.5331 4.5467 4.5467 4.6443 4.6443 4.6763 4.6763 4.8999 4.8999 5.1241 5.1241 5.9882 5.9882 7.0594 7.0594 7.6236 7.6236 7.9325 7.9325 8.2906 8.2906 9.6098 9.6098 9.6709 9.6709 11.9903 11.9903 12.4336 12.4336 12.7778 12.7778 k = 0.5000 0.2887-0.0000 ( 5798 PWs) bands (ev): -18.6250 -18.6250 -18.6084 -18.6084 -5.4059 -5.4059 -5.3783 -5.3783 -3.6286 -3.6286 -3.5494 -3.5494 -3.3427 -3.3427 -3.2373 -3.2373 -1.1395 -1.1395 -0.6428 -0.6428 3.9284 3.9284 4.0477 4.0477 4.0526 4.0526 4.1399 4.1399 4.2960 4.2960 4.5331 4.5331 4.5467 4.5467 4.6443 4.6443 4.6763 4.6763 4.8999 4.8999 5.1241 5.1241 5.9882 5.9882 7.0594 7.0594 7.6236 7.6236 7.9325 7.9325 8.2906 8.2906 9.6098 9.6098 9.6709 9.6709 11.9903 11.9903 12.4336 12.4336 12.7778 12.7778 k = 0.4928 0.3012-0.0000 ( 5798 PWs) bands (ev): -18.6249 -18.6249 -18.6084 -18.6084 -5.4059 -5.4059 -5.3783 -5.3783 -3.6284 -3.6284 -3.5493 -3.5493 -3.3430 -3.3430 -3.2377 -3.2377 -1.1387 -1.1387 -0.6433 -0.6433 3.9283 3.9283 4.0464 4.0464 4.0525 4.0525 4.1422 4.1422 4.2964 4.2964 4.5324 4.5324 4.5475 4.5475 4.6437 4.6437 4.6772 4.6772 4.9004 4.9004 5.1247 5.1247 5.9854 5.9854 7.0616 7.0616 7.6247 7.6247 7.9202 7.9202 8.2895 8.2895 9.6200 9.6200 9.6752 9.6752 11.9900 11.9900 12.4380 12.4380 12.7411 12.7411 k = 0.4855 0.3138-0.0000 ( 5806 PWs) bands (ev): -18.6249 -18.6249 -18.6083 -18.6083 -5.4059 -5.4059 -5.3784 -5.3784 -3.6281 -3.6281 -3.5489 -3.5489 -3.3439 -3.3439 -3.2390 -3.2390 -1.1362 -1.1362 -0.6447 -0.6447 3.9282 3.9282 4.0429 4.0429 4.0520 4.0520 4.1487 4.1487 4.2977 4.2977 4.5304 4.5304 4.5493 4.5493 4.6420 4.6420 4.6797 4.6797 4.9019 4.9019 5.1265 5.1265 5.9771 5.9771 7.0680 7.0680 7.6279 7.6279 7.8843 7.8843 8.2864 8.2864 9.6460 9.6460 9.6914 9.6914 11.9891 11.9891 12.4511 12.4511 12.6570 12.6570 k = 0.4783 0.3263-0.0000 ( 5826 PWs) bands (ev): -18.6249 -18.6249 -18.6083 -18.6083 -5.4058 -5.4058 -5.3785 -5.3785 -3.6274 -3.6274 -3.5483 -3.5483 -3.3453 -3.3453 -3.2410 -3.2410 -1.1322 -1.1322 -0.6471 -0.6471 3.9279 3.9279 4.0383 4.0383 4.0510 4.0510 4.1584 4.1584 4.2999 4.2999 4.5279 4.5279 4.5514 4.5514 4.6394 4.6394 4.6836 4.6836 4.9043 4.9043 5.1296 5.1296 5.9637 5.9637 7.0782 7.0782 7.6332 7.6332 7.8275 7.8275 8.2814 8.2814 9.6731 9.6731 9.7315 9.7315 11.9874 11.9874 12.4728 12.4728 12.5546 12.5546 k = 0.4710 0.3389-0.0000 ( 5820 PWs) bands (ev): -18.6248 -18.6248 -18.6082 -18.6082 -5.4058 -5.4058 -5.3786 -5.3786 -3.6266 -3.6266 -3.5475 -3.5475 -3.3474 -3.3474 -3.2438 -3.2438 -1.1266 -1.1266 -0.6503 -0.6503 3.9276 3.9276 4.0333 4.0333 4.0496 4.0496 4.1706 4.1706 4.3028 4.3028 4.5253 4.5253 4.5534 4.5534 4.6364 4.6364 4.6890 4.6890 4.9078 4.9078 5.1340 5.1340 5.9458 5.9458 7.0916 7.0916 7.6404 7.6404 7.7537 7.7537 8.2748 8.2748 9.6961 9.6961 9.7968 9.7968 11.9846 11.9846 12.4454 12.4454 12.5031 12.5031 k = 0.4638 0.3514-0.0000 ( 5814 PWs) bands (ev): -18.6247 -18.6247 -18.6081 -18.6081 -5.4058 -5.4058 -5.3788 -5.3788 -3.6255 -3.6255 -3.5464 -3.5464 -3.3499 -3.3499 -3.2473 -3.2473 -1.1196 -1.1196 -0.6545 -0.6545 3.9272 3.9272 4.0281 4.0281 4.0480 4.0480 4.1844 4.1844 4.3066 4.3066 4.5227 4.5227 4.5549 4.5549 4.6329 4.6329 4.6958 4.6958 4.9124 4.9124 5.1397 5.1397 5.9240 5.9240 7.1076 7.1076 7.6470 7.6470 7.6692 7.6692 8.2666 8.2666 9.7206 9.7206 9.8778 9.8778 11.9803 11.9803 12.3345 12.3345 12.5409 12.5409 k = 0.4565 0.3640-0.0000 ( 5814 PWs) bands (ev): -18.6246 -18.6246 -18.6080 -18.6080 -5.4058 -5.4058 -5.3791 -5.3791 -3.6243 -3.6243 -3.5450 -3.5450 -3.3530 -3.3530 -3.2514 -3.2514 -1.1111 -1.1111 -0.6596 -0.6596 3.9269 3.9269 4.0230 4.0230 4.0464 4.0464 4.1992 4.1992 4.3112 4.3112 4.5202 4.5202 4.5557 4.5557 4.6292 4.6292 4.7039 4.7039 4.9180 4.9180 5.1468 5.1468 5.8992 5.8992 7.1253 7.1253 7.5674 7.5674 7.6628 7.6628 8.2571 8.2571 9.7489 9.7489 9.9689 9.9689 11.9736 11.9736 12.2240 12.2240 12.5862 12.5862 k = 0.4493 0.3765-0.0000 ( 5810 PWs) bands (ev): -18.6244 -18.6244 -18.6079 -18.6079 -5.4058 -5.4058 -5.3794 -5.3794 -3.6228 -3.6228 -3.5434 -3.5434 -3.3565 -3.3565 -3.2561 -3.2561 -1.1012 -1.1012 -0.6656 -0.6656 3.9268 3.9268 4.0181 4.0181 4.0449 4.0449 4.2146 4.2146 4.3165 4.3165 4.5178 4.5178 4.5556 4.5556 4.6253 4.6253 4.7134 4.7134 4.9246 4.9246 5.1555 5.1555 5.8720 5.8720 7.1441 7.1441 7.4630 7.4630 7.6758 7.6758 8.2463 8.2463 9.7813 9.7813 10.0668 10.0668 11.9623 11.9623 12.1169 12.1169 12.6379 12.6379 k = 0.4420 0.3891-0.0000 ( 5814 PWs) bands (ev): -18.6243 -18.6243 -18.6078 -18.6078 -5.4058 -5.4058 -5.3797 -5.3797 -3.6213 -3.6213 -3.5417 -3.5417 -3.3604 -3.3604 -3.2612 -3.2612 -1.0902 -1.0902 -0.6724 -0.6724 3.9268 3.9268 4.0133 4.0133 4.0437 4.0437 4.2301 4.2301 4.3225 4.3225 4.5155 4.5155 4.5546 4.5546 4.6212 4.6212 4.7242 4.7242 4.9323 4.9323 5.1658 5.1658 5.8433 5.8433 7.1632 7.1632 7.3534 7.3534 7.6910 7.6910 8.2343 8.2343 9.8179 9.8179 10.1694 10.1694 11.9366 11.9366 12.0234 12.0234 12.6948 12.6948 k = 0.4348 0.4016-0.0000 ( 5818 PWs) bands (ev): -18.6241 -18.6241 -18.6076 -18.6076 -5.4058 -5.4058 -5.3800 -5.3800 -3.6197 -3.6197 -3.5397 -3.5397 -3.3647 -3.3647 -3.2666 -3.2666 -1.0780 -1.0780 -0.6800 -0.6800 3.9271 3.9271 4.0086 4.0086 4.0428 4.0428 4.2454 4.2454 4.3292 4.3292 4.5134 4.5134 4.5526 4.5526 4.6171 4.6171 4.7363 4.7363 4.9411 4.9411 5.1778 5.1778 5.8136 5.8136 7.1818 7.1818 7.2407 7.2407 7.7079 7.7079 8.2212 8.2212 9.8587 9.8587 10.2750 10.2750 11.8668 11.8668 11.9733 11.9733 12.7547 12.7547 k = 0.4275 0.4142-0.0000 ( 5814 PWs) bands (ev): -18.6239 -18.6239 -18.6075 -18.6075 -5.4058 -5.4058 -5.3804 -5.3804 -3.6180 -3.6180 -3.5375 -3.5375 -3.3693 -3.3693 -3.2723 -3.2723 -1.0648 -1.0648 -0.6885 -0.6885 3.9278 3.9278 4.0041 4.0041 4.0423 4.0423 4.2603 4.2603 4.3364 4.3364 4.5114 4.5114 4.5497 4.5497 4.6129 4.6129 4.7493 4.7493 4.9511 4.9511 5.1920 5.1920 5.7836 5.7836 7.1258 7.1258 7.2001 7.2001 7.7263 7.7263 8.2072 8.2072 9.9033 9.9033 10.3825 10.3825 11.7696 11.7696 11.9500 11.9500 12.8140 12.8140 k = 0.4203 0.4267-0.0000 ( 5812 PWs) bands (ev): -18.6237 -18.6237 -18.6073 -18.6073 -5.4058 -5.4058 -5.3809 -5.3809 -3.6163 -3.6163 -3.5351 -3.5351 -3.3741 -3.3741 -3.2780 -3.2780 -1.0507 -1.0507 -0.6976 -0.6976 3.9289 3.9289 3.9996 3.9996 4.0420 4.0420 4.2746 4.2746 4.3441 4.3441 4.5096 4.5096 4.5460 4.5460 4.6086 4.6086 4.7630 4.7630 4.9620 4.9620 5.2083 5.2083 5.7538 5.7538 7.0106 7.0106 7.2167 7.2167 7.7462 7.7462 8.1924 8.1924 9.9517 9.9517 10.4910 10.4910 11.6688 11.6688 11.9299 11.9299 12.8638 12.8638 k = 0.4130 0.4393-0.0000 ( 5824 PWs) bands (ev): -18.6236 -18.6236 -18.6071 -18.6071 -5.4058 -5.4058 -5.3813 -5.3813 -3.6146 -3.6146 -3.5325 -3.5325 -3.3791 -3.3791 -3.2837 -3.2837 -1.0359 -1.0359 -0.7075 -0.7075 3.9304 3.9304 3.9954 3.9954 4.0418 4.0418 4.2882 4.2882 4.3520 4.3520 4.5078 4.5078 4.5416 4.5416 4.6042 4.6042 4.7770 4.7770 4.9740 4.9740 5.2273 5.2273 5.7247 5.7247 6.8959 6.8959 7.2317 7.2317 7.7673 7.7673 8.1770 8.1770 10.0034 10.0034 10.5999 10.5999 11.5691 11.5691 11.9086 11.9086 12.8861 12.8861 k = 0.4058 0.4518-0.0000 ( 5820 PWs) bands (ev): -18.6234 -18.6234 -18.6070 -18.6070 -5.4059 -5.4059 -5.3818 -5.3818 -3.6130 -3.6130 -3.5299 -3.5299 -3.3841 -3.3841 -3.2894 -3.2894 -1.0205 -1.0205 -0.7180 -0.7180 3.9324 3.9324 3.9915 3.9915 4.0417 4.0417 4.3011 4.3011 4.3600 4.3600 4.5063 4.5063 4.5367 4.5367 4.5997 4.5997 4.7909 4.7909 4.9867 4.9867 5.2490 5.2490 5.6967 5.6967 6.7825 6.7825 7.2450 7.2450 7.7895 7.7895 8.1611 8.1611 10.0581 10.0581 10.7086 10.7086 11.4718 11.4718 11.8853 11.8853 12.8661 12.8661 k = 0.3986 0.4644-0.0000 ( 5818 PWs) bands (ev): -18.6232 -18.6232 -18.6068 -18.6068 -5.4059 -5.4059 -5.3823 -5.3823 -3.6116 -3.6116 -3.5271 -3.5271 -3.3891 -3.3891 -3.2947 -3.2947 -1.0047 -1.0047 -0.7290 -0.7290 3.9349 3.9349 3.9880 3.9880 4.0416 4.0416 4.3133 4.3133 4.3679 4.3679 4.5049 4.5049 4.5315 4.5315 4.5951 4.5951 4.8043 4.8043 5.0000 5.0000 5.2739 5.2739 5.6701 5.6701 6.6713 6.6713 7.2563 7.2563 7.8124 7.8124 8.1448 8.1448 10.1154 10.1154 10.8165 10.8165 11.3775 11.3775 11.8599 11.8599 12.8169 12.8169 k = 0.3913 0.4769-0.0000 ( 5818 PWs) bands (ev): -18.6230 -18.6230 -18.6066 -18.6066 -5.4060 -5.4060 -5.3828 -5.3828 -3.6103 -3.6103 -3.5242 -3.5242 -3.3941 -3.3941 -3.2998 -3.2998 -0.9887 -0.9887 -0.7405 -0.7405 3.9376 3.9376 3.9851 3.9851 4.0412 4.0412 4.3248 4.3248 4.3754 4.3754 4.5036 4.5036 4.5262 4.5262 4.5903 4.5903 4.8168 4.8168 5.0135 5.0135 5.3019 5.3019 5.6454 5.6454 6.5631 6.5631 7.2656 7.2656 7.8358 7.8358 8.1284 8.1284 10.1749 10.1749 10.9227 10.9227 11.2869 11.2869 11.8327 11.8327 12.7554 12.7554 k = 0.3841 0.4895-0.0000 ( 5822 PWs) bands (ev): -18.6228 -18.6228 -18.6065 -18.6065 -5.4060 -5.4060 -5.3833 -5.3833 -3.6092 -3.6092 -3.5214 -3.5214 -3.3989 -3.3989 -3.3044 -3.3044 -0.9727 -0.9727 -0.7523 -0.7523 3.9405 3.9405 3.9829 3.9829 4.0405 4.0405 4.3357 4.3357 4.3824 4.3824 4.5023 4.5023 4.5211 4.5211 4.5854 4.5854 4.8283 4.8283 5.0268 5.0268 5.3331 5.3331 5.6228 5.6228 6.4588 6.4588 7.2730 7.2730 7.8594 7.8594 8.1119 8.1119 10.2362 10.2362 11.0246 11.0246 11.2024 11.2024 11.8042 11.8042 12.6893 12.6893 k = 0.3768 0.5020-0.0000 ( 5826 PWs) bands (ev): -18.6227 -18.6227 -18.6063 -18.6063 -5.4061 -5.4061 -5.3838 -5.3838 -3.6084 -3.6084 -3.5186 -3.5186 -3.4033 -3.4033 -3.3085 -3.3085 -0.9568 -0.9568 -0.7642 -0.7642 3.9435 3.9435 3.9816 3.9816 4.0393 4.0393 4.3460 4.3460 4.3885 4.3885 4.5011 4.5011 4.5165 4.5165 4.5804 4.5804 4.8384 4.8384 5.0396 5.0396 5.3671 5.3671 5.6027 5.6027 6.3595 6.3595 7.2785 7.2785 7.8828 7.8828 8.0956 8.0956 10.2987 10.2987 11.0843 11.0843 11.1610 11.1610 11.7748 11.7748 12.6226 12.6226 k = 0.3696 0.5146-0.0000 ( 5840 PWs) bands (ev): -18.6225 -18.6225 -18.6062 -18.6062 -5.4061 -5.4061 -5.3842 -5.3842 -3.6077 -3.6077 -3.5159 -3.5159 -3.4074 -3.4074 -3.3121 -3.3121 -0.9415 -0.9415 -0.7761 -0.7761 3.9462 3.9462 3.9814 3.9814 4.0377 4.0377 4.3554 4.3554 4.3939 4.3939 4.4997 4.4997 4.5126 4.5126 4.5755 4.5755 4.8471 4.8471 5.0514 5.0514 5.4029 5.4029 5.5855 5.5855 6.2666 6.2666 7.2824 7.2824 7.9057 7.9057 8.0796 8.0796 10.3619 10.3619 11.0221 11.0221 11.2414 11.2414 11.7452 11.7452 12.5576 12.5576 k = 0.3623 0.5271-0.0000 ( 5840 PWs) bands (ev): -18.6224 -18.6224 -18.6061 -18.6061 -5.4062 -5.4062 -5.3846 -5.3846 -3.6072 -3.6072 -3.5135 -3.5135 -3.4110 -3.4110 -3.3151 -3.3151 -0.9270 -0.9270 -0.7876 -0.7876 3.9484 3.9484 3.9824 3.9824 4.0356 4.0356 4.3639 4.3639 4.3983 4.3983 4.4981 4.4981 4.5100 4.5100 4.5708 4.5708 4.8543 4.8543 5.0619 5.0619 5.4388 5.4388 5.5716 5.5716 6.1820 6.1820 7.2849 7.2849 7.9277 7.9277 8.0640 8.0640 10.4253 10.4253 10.9472 10.9472 11.3326 11.3326 11.7160 11.7160 12.4969 12.4969 k = 0.3551 0.5397-0.0000 ( 5834 PWs) bands (ev): -18.6223 -18.6223 -18.6060 -18.6060 -5.4062 -5.4062 -5.3850 -5.3850 -3.6069 -3.6069 -3.5115 -3.5115 -3.4139 -3.4139 -3.3174 -3.3174 -0.9140 -0.9140 -0.7983 -0.7983 3.9500 3.9500 3.9846 3.9846 4.0330 4.0330 4.3711 4.3711 4.4019 4.4019 4.4964 4.4964 4.5085 4.5085 4.5664 4.5664 4.8600 4.8600 5.0708 5.0708 5.4718 5.4718 5.5624 5.5624 6.1083 6.1083 7.2862 7.2862 7.9480 7.9480 8.0492 8.0492 10.4881 10.4881 10.8747 10.8747 11.4167 11.4167 11.6882 11.6882 12.4431 12.4431 k = 0.3478 0.5522-0.0000 ( 5830 PWs) bands (ev): -18.6222 -18.6222 -18.6059 -18.6059 -5.4063 -5.4063 -5.3853 -5.3853 -3.6068 -3.6068 -3.5099 -3.5099 -3.4161 -3.4161 -3.3190 -3.3190 -0.9033 -0.9033 -0.8073 -0.8073 3.9510 3.9510 3.9874 3.9874 4.0303 4.0303 4.3766 4.3766 4.4045 4.4045 4.4950 4.4950 4.5079 4.5079 4.5627 4.5627 4.8641 4.8641 5.0778 5.0778 5.4964 5.4964 5.5597 5.5597 6.0496 6.0496 7.2867 7.2867 7.9660 7.9660 8.0357 8.0357 10.5496 10.5496 10.8063 10.8063 11.4875 11.4875 11.6634 11.6634 12.3999 12.3999 k = 0.3406 0.5648-0.0000 ( 5836 PWs) bands (ev): -18.6222 -18.6222 -18.6059 -18.6059 -5.4063 -5.4063 -5.3854 -5.3854 -3.6068 -3.6068 -3.5089 -3.5089 -3.4174 -3.4174 -3.3200 -3.3200 -0.8960 -0.8960 -0.8135 -0.8135 3.9515 3.9515 3.9900 3.9900 4.0279 4.0279 4.3799 4.3799 4.4062 4.4062 4.4941 4.4941 4.5079 4.5079 4.5600 4.5600 4.8666 4.8666 5.0823 5.0823 5.5081 5.5081 5.5637 5.5637 6.0111 6.0111 7.2868 7.2868 7.9798 7.9798 8.0248 8.0248 10.6078 10.6078 10.7441 10.7441 11.5360 11.5360 11.6457 11.6457 12.3714 12.3714 k = 0.3333 0.5774-0.0000 ( 5832 PWs) bands (ev): -18.6221 -18.6221 -18.6059 -18.6059 -5.4063 -5.4063 -5.3855 -5.3855 -3.6068 -3.6068 -3.5085 -3.5085 -3.4179 -3.4179 -3.3203 -3.3203 -0.8934 -0.8934 -0.8157 -0.8157 3.9516 3.9516 3.9912 3.9912 4.0268 4.0268 4.3811 4.3811 4.4068 4.4068 4.4938 4.4938 4.5080 4.5080 4.5590 4.5590 4.8674 4.8674 5.0839 5.0839 5.5106 5.5106 5.5668 5.5668 5.9977 5.9977 7.2867 7.2867 7.9855 7.9855 8.0202 8.0202 10.6448 10.6448 10.7058 10.7058 11.5520 11.5520 11.6408 11.6408 12.3614 12.3614 k = 0.3333 0.5774-0.0000 ( 5832 PWs) bands (ev): -18.6221 -18.6221 -18.6059 -18.6059 -5.4063 -5.4063 -5.3855 -5.3855 -3.6068 -3.6068 -3.5085 -3.5085 -3.4179 -3.4179 -3.3203 -3.3203 -0.8934 -0.8934 -0.8157 -0.8157 3.9516 3.9516 3.9912 3.9912 4.0268 4.0268 4.3811 4.3811 4.4068 4.4068 4.4938 4.4938 4.5080 4.5080 4.5590 4.5590 4.8674 4.8674 5.0839 5.0839 5.5106 5.5106 5.5668 5.5668 5.9977 5.9977 7.2867 7.2867 7.9855 7.9855 8.0202 8.0202 10.6448 10.6448 10.7058 10.7058 11.5520 11.5520 11.6408 11.6408 12.3614 12.3614 k = 0.3261 0.5648-0.0000 ( 5838 PWs) bands (ev): -18.6222 -18.6222 -18.6059 -18.6059 -5.4063 -5.4063 -5.3854 -5.3854 -3.6067 -3.6067 -3.5089 -3.5089 -3.4174 -3.4174 -3.3200 -3.3200 -0.8958 -0.8958 -0.8137 -0.8137 3.9514 3.9514 3.9897 3.9897 4.0281 4.0281 4.3800 4.3800 4.4061 4.4061 4.4940 4.4940 4.5078 4.5078 4.5602 4.5602 4.8666 4.8666 5.0821 5.0821 5.5090 5.5090 5.5638 5.5638 6.0104 6.0104 7.2869 7.2869 7.9809 7.9809 8.0236 8.0236 10.6104 10.6104 10.7415 10.7415 11.5423 11.5423 11.6392 11.6392 12.3710 12.3710 k = 0.3188 0.5522-0.0000 ( 5832 PWs) bands (ev): -18.6222 -18.6222 -18.6059 -18.6059 -5.4063 -5.4063 -5.3852 -5.3852 -3.6066 -3.6066 -3.5099 -3.5099 -3.4161 -3.4161 -3.3191 -3.3191 -0.9018 -0.9018 -0.8089 -0.8089 3.9508 3.9508 3.9856 3.9856 4.0318 4.0318 4.3769 4.3769 4.4039 4.4039 4.4946 4.4946 4.5072 4.5072 4.5636 4.5636 4.8640 4.8640 5.0763 5.0763 5.5044 5.5044 5.5589 5.5589 6.0450 6.0450 7.2877 7.2877 7.9718 7.9718 8.0288 8.0288 10.5610 10.5610 10.7950 10.7950 11.5232 11.5232 11.6261 11.6261 12.3964 12.3964 k = 0.3116 0.5397-0.0000 ( 5832 PWs) bands (ev): -18.6223 -18.6223 -18.6060 -18.6060 -5.4062 -5.4062 -5.3848 -5.3848 -3.6064 -3.6064 -3.5116 -3.5116 -3.4140 -3.4140 -3.3176 -3.3176 -0.9099 -0.9099 -0.8027 -0.8027 3.9492 3.9492 3.9797 3.9797 4.0370 4.0370 4.3719 4.3719 4.4002 4.4002 4.4952 4.4952 4.5061 4.5061 4.5692 4.5692 4.8596 4.8596 5.0662 5.0662 5.4970 5.4970 5.5588 5.5588 6.0955 6.0955 7.2895 7.2895 7.9618 7.9618 8.0319 8.0319 10.5138 10.5138 10.8492 10.8492 11.5011 11.5011 11.5998 11.5998 12.4295 12.4295 k = 0.3043 0.5271-0.0000 ( 5836 PWs) bands (ev): -18.6224 -18.6224 -18.6062 -18.6062 -5.4061 -5.4061 -5.3842 -5.3842 -3.6059 -3.6059 -3.5137 -3.5137 -3.4112 -3.4112 -3.3157 -3.3157 -0.9189 -0.9189 -0.7966 -0.7966 3.9458 3.9458 3.9737 3.9737 4.0430 4.0430 4.3650 4.3650 4.3949 4.3949 4.4957 4.4957 4.5051 4.5051 4.5762 4.5762 4.8535 4.8535 5.0521 5.0521 5.4904 5.4904 5.5652 5.5652 6.1567 6.1567 7.2926 7.2926 7.9520 7.9520 8.0313 8.0313 10.4707 10.4707 10.9027 10.9027 11.4772 11.4772 11.5646 11.5646 12.4608 12.4608 k = 0.2971 0.5146-0.0000 ( 5822 PWs) bands (ev): -18.6226 -18.6226 -18.6063 -18.6063 -5.4059 -5.4059 -5.3834 -5.3834 -3.6051 -3.6051 -3.5164 -3.5164 -3.4078 -3.4078 -3.3132 -3.3132 -0.9280 -0.9280 -0.7911 -0.7911 3.9395 3.9395 3.9691 3.9691 4.0493 4.0493 4.3563 4.3563 4.3884 4.3884 4.4958 4.4958 4.5044 4.5044 4.5841 4.5841 4.8456 4.8456 5.0348 5.0348 5.4883 5.4883 5.5773 5.5773 6.2255 6.2255 7.2974 7.2974 7.9428 7.9428 8.0264 8.0264 10.4320 10.4320 10.9553 10.9553 11.4497 11.4497 11.5269 11.5269 12.4814 12.4814 k = 0.2899 0.5020-0.0000 ( 5825 PWs) bands (ev): -18.6229 -18.6229 -18.6065 -18.6065 -5.4057 -5.4057 -5.3824 -5.3824 -3.6041 -3.6041 -3.5194 -3.5194 -3.4039 -3.4039 -3.3104 -3.3104 -0.9368 -0.9368 -0.7868 -0.7868 3.9299 3.9299 3.9662 3.9662 4.0556 4.0556 4.3457 4.3457 4.3809 4.3809 4.4955 4.4955 4.5042 4.5042 4.5921 4.5921 4.8361 4.8361 5.0157 5.0157 5.4929 5.4929 5.5940 5.5940 6.2998 6.2998 7.3041 7.3041 7.9344 7.9344 8.0167 8.0167 10.3980 10.3980 11.0075 11.0075 11.4148 11.4148 11.4937 11.4937 12.4852 12.4852 k = 0.2826 0.4895-0.0000 ( 5827 PWs) bands (ev): -18.6231 -18.6231 -18.6068 -18.6068 -5.4054 -5.4054 -5.3812 -5.3812 -3.6026 -3.6026 -3.5227 -3.5227 -3.3996 -3.3996 -3.3072 -3.3072 -0.9451 -0.9451 -0.7839 -0.7839 3.9179 3.9179 3.9646 3.9646 4.0616 4.0616 4.3332 4.3332 4.3725 4.3725 4.4945 4.4945 4.5046 4.5046 4.5994 4.5994 4.8253 4.8253 4.9962 4.9962 5.5047 5.5047 5.6150 5.6150 6.3781 6.3781 7.3130 7.3130 7.9267 7.9267 8.0020 8.0020 10.3688 10.3688 11.0593 11.0593 11.3711 11.3711 11.4691 11.4691 12.4696 12.4696 k = 0.2754 0.4769-0.0000 ( 5821 PWs) bands (ev): -18.6235 -18.6235 -18.6070 -18.6070 -5.4051 -5.4051 -5.3797 -5.3797 -3.6008 -3.6008 -3.5263 -3.5263 -3.3950 -3.3950 -3.3038 -3.3038 -0.9525 -0.9525 -0.7827 -0.7827 3.9042 3.9042 3.9636 3.9636 4.0672 4.0672 4.3188 4.3188 4.3637 4.3637 4.4930 4.4930 4.5054 4.5054 4.6058 4.6058 4.8135 4.8135 4.9775 4.9775 5.5235 5.5235 5.6403 5.6403 6.4598 6.4598 7.3244 7.3244 7.9196 7.9196 7.9824 7.9824 10.3446 10.3446 11.1106 11.1106 11.3221 11.3221 11.4514 11.4514 12.4359 12.4359 k = 0.2681 0.4644-0.0000 ( 5817 PWs) bands (ev): -18.6238 -18.6238 -18.6074 -18.6074 -5.4048 -5.4048 -5.3779 -5.3779 -3.5985 -3.5985 -3.5299 -3.5299 -3.3901 -3.3901 -3.3001 -3.3001 -0.9590 -0.9590 -0.7833 -0.7833 3.8894 3.8894 3.9628 3.9628 4.0722 4.0722 4.3027 4.3027 4.3546 4.3546 4.4907 4.4907 4.5065 4.5065 4.6106 4.6106 4.8015 4.8015 4.9604 4.9604 5.5490 5.5490 5.6697 5.6697 6.5439 6.5439 7.3385 7.3385 7.9127 7.9127 7.9582 7.9582 10.3253 10.3253 11.1590 11.1590 11.2740 11.2740 11.4385 11.4385 12.3871 12.3871 k = 0.2609 0.4518-0.0000 ( 5821 PWs) bands (ev): -18.6242 -18.6242 -18.6077 -18.6077 -5.4043 -5.4043 -5.3759 -5.3759 -3.5959 -3.5959 -3.5337 -3.5337 -3.3849 -3.3849 -3.2963 -3.2963 -0.9644 -0.9644 -0.7859 -0.7859 3.8737 3.8737 3.9617 3.9617 4.0765 4.0765 4.2853 4.2853 4.3451 4.3451 4.4874 4.4874 4.5080 4.5080 4.6135 4.6135 4.7899 4.7899 4.9453 4.9453 5.5807 5.5807 5.7032 5.7032 6.6302 6.6302 7.3554 7.3554 7.9035 7.9035 7.9320 7.9320 10.3111 10.3111 11.1805 11.1805 11.2528 11.2528 11.4295 11.4295 12.3268 12.3268 k = 0.2536 0.4393-0.0000 ( 5815 PWs) bands (ev): -18.6247 -18.6247 -18.6082 -18.6082 -5.4039 -5.4039 -5.3736 -5.3736 -3.5930 -3.5930 -3.5374 -3.5374 -3.3795 -3.3795 -3.2924 -3.2924 -0.9687 -0.9687 -0.7905 -0.7905 3.8577 3.8577 3.9603 3.9603 4.0802 4.0802 4.2669 4.2669 4.3355 4.3355 4.4827 4.4827 4.5097 4.5097 4.6145 4.6145 4.7793 4.7793 4.9321 4.9321 5.6184 5.6184 5.7410 5.7410 6.7181 6.7181 7.3753 7.3753 7.8806 7.8806 7.9153 7.9153 10.3019 10.3019 11.1434 11.1434 11.2907 11.2907 11.4244 11.4244 12.2582 12.2582 k = 0.2464 0.4267-0.0000 ( 5809 PWs) bands (ev): -18.6252 -18.6252 -18.6086 -18.6086 -5.4034 -5.4034 -5.3710 -5.3710 -3.5899 -3.5899 -3.5408 -3.5408 -3.3738 -3.3738 -3.2883 -3.2883 -0.9717 -0.9717 -0.7971 -0.7971 3.8415 3.8415 3.9582 3.9582 4.0831 4.0831 4.2480 4.2480 4.3258 4.3258 4.4765 4.4765 4.5117 4.5117 4.6135 4.6135 4.7701 4.7701 4.9208 4.9208 5.6618 5.6618 5.7830 5.7830 6.8072 6.8072 7.3982 7.3982 7.8428 7.8428 7.9095 7.9095 10.2978 10.2978 11.0928 11.0928 11.3403 11.3403 11.4261 11.4261 12.1835 12.1835 k = 0.2391 0.4142-0.0000 ( 5813 PWs) bands (ev): -18.6258 -18.6258 -18.6091 -18.6091 -5.4028 -5.4028 -5.3681 -5.3681 -3.5870 -3.5870 -3.5436 -3.5436 -3.3679 -3.3679 -3.2843 -3.2843 -0.9735 -0.9735 -0.8058 -0.8058 3.8253 3.8253 3.9554 3.9554 4.0853 4.0853 4.2289 4.2289 4.3160 4.3160 4.4683 4.4683 4.5140 4.5140 4.6111 4.6111 4.7624 4.7624 4.9112 4.9112 5.7106 5.7106 5.8293 5.8293 6.8973 6.8973 7.4242 7.4242 7.7980 7.7980 7.9071 7.9071 10.2988 10.2988 11.0408 11.0408 11.3771 11.3771 11.4473 11.4473 12.1046 12.1046 k = 0.2319 0.4016-0.0000 ( 5809 PWs) bands (ev): -18.6264 -18.6264 -18.6096 -18.6096 -5.4023 -5.4023 -5.3650 -5.3650 -3.5846 -3.5846 -3.5454 -3.5454 -3.3618 -3.3618 -3.2803 -3.2803 -0.9740 -0.9740 -0.8166 -0.8166 3.8094 3.8094 3.9515 3.9515 4.0867 4.0867 4.2101 4.2101 4.3062 4.3062 4.4580 4.4580 4.5165 4.5165 4.6076 4.6076 4.7561 4.7561 4.9030 4.9030 5.7647 5.7647 5.8799 5.8799 6.9880 6.9880 7.4532 7.4532 7.7481 7.7481 7.9065 7.9065 10.3048 10.3048 10.9894 10.9894 11.3898 11.3898 11.4972 11.4972 12.0228 12.0228 k = 0.2246 0.3891-0.0000 ( 5821 PWs) bands (ev): -18.6270 -18.6270 -18.6102 -18.6102 -5.4017 -5.4017 -5.3615 -5.3615 -3.5837 -3.5837 -3.5453 -3.5453 -3.3554 -3.3554 -3.2763 -3.2763 -0.9731 -0.9731 -0.8295 -0.8295 3.7941 3.7941 3.9463 3.9463 4.0875 4.0875 4.1919 4.1919 4.2964 4.2964 4.4457 4.4457 4.5192 4.5192 4.6035 4.6035 4.7507 4.7507 4.8961 4.8961 5.8240 5.8240 5.9348 5.9348 7.0788 7.0788 7.4852 7.4852 7.6943 7.6943 7.9073 7.9073 10.3159 10.3159 10.9391 10.9391 11.3934 11.3934 11.5600 11.5600 11.9394 11.9394 k = 0.2174 0.3765-0.0000 ( 5821 PWs) bands (ev): -18.6277 -18.6277 -18.6108 -18.6108 -5.4011 -5.4011 -5.3578 -5.3578 -3.5845 -3.5845 -3.5429 -3.5429 -3.3488 -3.3488 -3.2724 -3.2724 -0.9711 -0.9711 -0.8443 -0.8443 3.7794 3.7794 3.9397 3.9397 4.0875 4.0875 4.1748 4.1748 4.2866 4.2866 4.4314 4.4314 4.5222 4.5222 4.5992 4.5992 4.7461 4.7461 4.8903 4.8903 5.8882 5.8882 5.9939 5.9939 7.1695 7.1695 7.5192 7.5192 7.6379 7.6379 7.9095 7.9095 10.3318 10.3318 10.8902 10.8902 11.3952 11.3952 11.6270 11.6270 11.8559 11.8559 k = 0.2101 0.3640-0.0000 ( 5817 PWs) bands (ev): -18.6285 -18.6285 -18.6115 -18.6115 -5.4005 -5.4005 -5.3539 -5.3539 -3.5871 -3.5871 -3.5382 -3.5382 -3.3419 -3.3419 -3.2687 -3.2687 -0.9679 -0.9679 -0.8609 -0.8609 3.7656 3.7656 3.9313 3.9313 4.0871 4.0871 4.1589 4.1589 4.2770 4.2770 4.4154 4.4154 4.5255 4.5255 4.5950 4.5950 4.7418 4.7418 4.8855 4.8855 5.9573 5.9573 6.0571 6.0571 7.2591 7.2591 7.5448 7.5448 7.5903 7.5903 7.9131 7.9131 10.3527 10.3527 10.8429 10.8429 11.3964 11.3964 11.6893 11.6893 11.7798 11.7798 k = 0.2029 0.3514-0.0000 ( 5813 PWs) bands (ev): -18.6292 -18.6292 -18.6121 -18.6121 -5.3999 -5.3999 -5.3497 -5.3497 -3.5910 -3.5910 -3.5317 -3.5317 -3.3348 -3.3348 -3.2650 -3.2650 -0.9638 -0.9638 -0.8791 -0.8791 3.7528 3.7528 3.9210 3.9210 4.0862 4.0862 4.1444 4.1444 4.2675 4.2675 4.3980 4.3980 4.5289 4.5289 4.5910 4.5910 4.7376 4.7376 4.8815 4.8815 6.0310 6.0310 6.1245 6.1245 7.3455 7.3455 7.5058 7.5058 7.6099 7.6099 7.9182 7.9182 10.3783 10.3783 10.7974 10.7974 11.3973 11.3973 11.6672 11.6672 11.7903 11.7903 k = 0.1957 0.3389-0.0000 ( 5815 PWs) bands (ev): -18.6300 -18.6300 -18.6128 -18.6128 -5.3993 -5.3993 -5.3452 -5.3452 -3.5958 -3.5958 -3.5236 -3.5236 -3.3275 -3.3275 -3.2615 -3.2615 -0.9593 -0.9593 -0.8982 -0.8982 3.7411 3.7411 3.9089 3.9089 4.0849 4.0849 4.1313 4.1313 4.2581 4.2581 4.3795 4.3795 4.5325 4.5325 4.5872 4.5872 4.7335 4.7335 4.8782 4.8782 6.1093 6.1093 6.1959 6.1959 7.4021 7.4021 7.4728 7.4728 7.6527 7.6527 7.9248 7.9248 10.4085 10.4085 10.7536 10.7536 11.3974 11.3974 11.5864 11.5864 11.8615 11.8615 k = 0.1884 0.3263-0.0000 ( 5815 PWs) bands (ev): -18.6308 -18.6308 -18.6136 -18.6136 -5.3988 -5.3988 -5.3406 -5.3406 -3.6012 -3.6012 -3.5144 -3.5144 -3.3199 -3.3199 -3.2582 -3.2582 -0.9567 -0.9567 -0.9160 -0.9160 3.7305 3.7305 3.8949 3.8949 4.0831 4.0831 4.1196 4.1196 4.2490 4.2490 4.3605 4.3605 4.5363 4.5363 4.5837 4.5837 4.7291 4.7291 4.8755 4.8755 6.1920 6.1920 6.2711 6.2711 7.3552 7.3552 7.5378 7.5378 7.7002 7.7002 7.9331 7.9331 10.4432 10.4432 10.7118 10.7118 11.3960 11.3960 11.5017 11.5017 11.9386 11.9386 k = 0.1812 0.3138-0.0000 ( 5825 PWs) bands (ev): -18.6317 -18.6317 -18.6143 -18.6143 -5.3983 -5.3983 -5.3358 -5.3358 -3.6069 -3.6069 -3.5043 -3.5043 -3.3121 -3.3121 -3.2550 -3.2550 -0.9631 -0.9631 -0.9251 -0.9251 3.7211 3.7211 3.8793 3.8793 4.0809 4.0809 4.1090 4.1090 4.2401 4.2401 4.3412 4.3412 4.5402 4.5402 4.5805 4.5805 4.7246 4.7246 4.8733 4.8733 6.2789 6.2789 6.3501 6.3501 7.2863 7.2863 7.6206 7.6206 7.7507 7.7507 7.9435 7.9435 10.4820 10.4820 10.6722 10.6722 11.3898 11.3898 11.4194 11.4194 12.0174 12.0174 k = 0.1739 0.3012-0.0000 ( 5837 PWs) bands (ev): -18.6326 -18.6326 -18.6151 -18.6151 -5.3978 -5.3978 -5.3308 -5.3308 -3.6129 -3.6129 -3.4932 -3.4932 -3.3041 -3.3041 -3.2521 -3.2521 -0.9823 -0.9823 -0.9221 -0.9221 3.7129 3.7129 3.8623 3.8623 4.0781 4.0781 4.0996 4.0996 4.2315 4.2315 4.3222 4.3222 4.5443 4.5443 4.5775 4.5775 4.7199 4.7199 4.8715 4.8715 6.3699 6.3699 6.4328 6.4328 7.2137 7.2137 7.7033 7.7033 7.8036 7.8036 7.9564 7.9564 10.5241 10.5241 10.6354 10.6354 11.3279 11.3279 11.3908 11.3908 12.0968 12.0968 k = 0.1667 0.2887-0.0000 ( 5845 PWs) bands (ev): -18.6334 -18.6334 -18.6158 -18.6158 -5.3974 -5.3974 -5.3258 -5.3258 -3.6191 -3.6191 -3.4814 -3.4814 -3.2960 -3.2960 -3.2493 -3.2493 -1.0069 -1.0069 -0.9139 -0.9139 3.7057 3.7057 3.8442 3.8442 4.0743 4.0743 4.0914 4.0914 4.2232 4.2232 4.3038 4.3038 4.5484 4.5484 4.5748 4.5748 4.7149 4.7149 4.8702 4.8702 6.4648 6.4648 6.5189 6.5189 7.1393 7.1393 7.7839 7.7839 7.8572 7.8572 7.9732 7.9732 10.5633 10.5633 10.6074 10.6074 11.2443 11.2443 11.3811 11.3811 12.1755 12.1755 k = 0.1594 0.2761-0.0000 ( 5845 PWs) bands (ev): -18.6343 -18.6343 -18.6166 -18.6166 -5.3971 -5.3971 -5.3206 -5.3206 -3.6253 -3.6253 -3.4688 -3.4688 -3.2877 -3.2877 -3.2467 -3.2467 -1.0340 -1.0340 -0.9035 -0.9035 3.6996 3.6996 3.8254 3.8254 4.0690 4.0690 4.0844 4.0844 4.2152 4.2152 4.2866 4.2866 4.5524 4.5524 4.5725 4.5725 4.7098 4.7098 4.8692 4.8692 6.5635 6.5635 6.6084 6.6084 7.0639 7.0639 7.8617 7.8617 7.9080 7.9080 7.9975 7.9975 10.5555 10.5555 10.6323 10.6323 11.1611 11.1611 11.3679 11.3679 12.2518 12.2518 k = 0.1522 0.2636-0.0000 ( 5841 PWs) bands (ev): -18.6352 -18.6352 -18.6174 -18.6174 -5.3969 -5.3969 -5.3153 -5.3153 -3.6315 -3.6315 -3.4556 -3.4556 -3.2793 -3.2793 -3.2442 -3.2442 -1.0625 -1.0625 -0.8920 -0.8920 3.6945 3.6945 3.8061 3.8061 4.0623 4.0623 4.0783 4.0783 4.2075 4.2075 4.2710 4.2710 4.5562 4.5562 4.5708 4.5708 4.7044 4.7044 4.8685 4.8685 6.6656 6.6656 6.7014 6.7014 6.9880 6.9880 7.9358 7.9358 7.9495 7.9495 8.0359 8.0359 10.5260 10.5260 10.6844 10.6844 11.0790 11.0790 11.3499 11.3499 12.3222 12.3222 k = 0.1449 0.2510-0.0000 ( 5841 PWs) bands (ev): -18.6361 -18.6361 -18.6182 -18.6182 -5.3967 -5.3967 -5.3100 -5.3100 -3.6377 -3.6377 -3.4419 -3.4419 -3.2708 -3.2708 -3.2420 -3.2420 -1.0919 -1.0919 -0.8797 -0.8797 3.6902 3.6902 3.7866 3.7866 4.0544 4.0544 4.0725 4.0725 4.1999 4.1999 4.2575 4.2575 4.5588 4.5588 4.5705 4.5705 4.6990 4.6990 4.8680 4.8680 6.7706 6.7706 6.7979 6.7979 6.9122 6.9122 7.9771 7.9771 8.0090 8.0090 8.0895 8.0895 10.4964 10.4964 10.7419 10.7419 10.9983 10.9983 11.3261 11.3261 12.3776 12.3776 k = 0.1377 0.2385-0.0000 ( 5849 PWs) bands (ev): -18.6370 -18.6370 -18.6190 -18.6190 -5.3966 -5.3966 -5.3048 -5.3048 -3.6438 -3.6438 -3.4276 -3.4276 -3.2623 -3.2623 -3.2399 -3.2399 -1.1221 -1.1221 -0.8668 -0.8668 3.6865 3.6865 3.7672 3.7672 4.0455 4.0455 4.0665 4.0665 4.1922 4.1922 4.2466 4.2466 4.5593 4.5593 4.5725 4.5725 4.6935 4.6935 4.8678 4.8678 6.8358 6.8358 6.8778 6.8778 6.8991 6.8991 8.0004 8.0004 8.0778 8.0778 8.1520 8.1520 10.4683 10.4683 10.8024 10.8024 10.9197 10.9197 11.2960 11.2960 12.3964 12.3964 k = 0.1304 0.2259-0.0000 ( 5853 PWs) bands (ev): -18.6379 -18.6379 -18.6198 -18.6198 -5.3965 -5.3965 -5.2995 -5.2995 -3.6498 -3.6498 -3.4129 -3.4129 -3.2538 -3.2538 -3.2379 -3.2379 -1.1528 -1.1528 -0.8534 -0.8534 3.6832 3.6832 3.7481 3.7481 4.0358 4.0358 4.0603 4.0603 4.1845 4.1845 4.2384 4.2384 4.5582 4.5582 4.5764 4.5764 4.6880 4.6880 4.8678 4.8678 6.7612 6.7612 6.9839 6.9839 7.0061 7.0061 8.0216 8.0216 8.1437 8.1437 8.2188 8.2188 10.4419 10.4419 10.8361 10.8361 10.8724 10.8724 11.2591 11.2591 12.3704 12.3704 k = 0.1232 0.2134-0.0000 ( 5851 PWs) bands (ev): -18.6388 -18.6388 -18.6206 -18.6206 -5.3966 -5.3966 -5.2944 -5.2944 -3.6556 -3.6556 -3.3979 -3.3979 -3.2455 -3.2455 -3.2358 -3.2358 -1.1837 -1.1837 -0.8397 -0.8397 3.6798 3.6798 3.7301 3.7301 4.0250 4.0250 4.0542 4.0542 4.1765 4.1765 4.2330 4.2330 4.5564 4.5564 4.5812 4.5812 4.6827 4.6827 4.8680 4.8680 6.6872 6.6872 7.0895 7.0895 7.1195 7.1195 8.0424 8.0424 8.2060 8.2060 8.2885 8.2885 10.4173 10.4173 10.7641 10.7641 10.9350 10.9350 11.2155 11.2155 12.3237 12.3237 k = 0.1159 0.2008-0.0000 ( 5855 PWs) bands (ev): -18.6397 -18.6397 -18.6213 -18.6213 -5.3967 -5.3967 -5.2893 -5.2893 -3.6612 -3.6612 -3.3826 -3.3826 -3.2382 -3.2382 -3.2331 -3.2331 -1.2146 -1.2146 -0.8259 -0.8259 3.6753 3.6753 3.7141 3.7141 4.0133 4.0133 4.0484 4.0484 4.1684 4.1684 4.2300 4.2300 4.5543 4.5543 4.5863 4.5863 4.6775 4.6775 4.8684 4.8684 6.6147 6.6147 7.1954 7.1954 7.2376 7.2376 8.0635 8.0635 8.2638 8.2638 8.3609 8.3609 10.3945 10.3945 10.6905 10.6905 11.0023 11.0023 11.1656 11.1656 12.2717 12.2717 k = 0.1087 0.1883-0.0000 ( 5847 PWs) bands (ev): -18.6405 -18.6405 -18.6221 -18.6221 -5.3969 -5.3969 -5.2844 -5.2844 -3.6666 -3.6666 -3.3671 -3.3671 -3.2344 -3.2344 -3.2272 -3.2272 -1.2453 -1.2453 -0.8122 -0.8122 3.6680 3.6680 3.7018 3.7018 4.0007 4.0007 4.0431 4.0431 4.1605 4.1605 4.2291 4.2291 4.5522 4.5522 4.5917 4.5917 4.6728 4.6728 4.8689 4.8689 6.5438 6.5438 7.3024 7.3024 7.3591 7.3591 8.0849 8.0849 8.3166 8.3166 8.4358 8.4358 10.3734 10.3734 10.6185 10.6185 11.0638 11.0638 11.1165 11.1165 12.2194 12.2194 k = 0.1014 0.1757-0.0000 ( 5841 PWs) bands (ev): -18.6413 -18.6413 -18.6228 -18.6228 -5.3971 -5.3971 -5.2796 -5.2796 -3.6717 -3.6717 -3.3517 -3.3517 -3.2326 -3.2326 -3.2196 -3.2196 -1.2755 -1.2755 -0.7985 -0.7985 3.6567 3.6567 3.6944 3.6944 3.9875 3.9875 4.0386 4.0386 4.1527 4.1527 4.2297 4.2297 4.5499 4.5499 4.5970 4.5970 4.6685 4.6685 4.8696 4.8696 6.4749 6.4749 7.4106 7.4106 7.4836 7.4836 8.1067 8.1067 8.3641 8.3641 8.5131 8.5131 10.3539 10.3539 10.5481 10.5481 11.0358 11.0358 11.1517 11.1517 12.1685 12.1685 k = 0.0942 0.1632-0.0000 ( 5843 PWs) bands (ev): -18.6421 -18.6421 -18.6235 -18.6235 -5.3974 -5.3974 -5.2750 -5.2750 -3.6766 -3.6766 -3.3363 -3.3363 -3.2312 -3.2312 -3.2119 -3.2119 -1.3051 -1.3051 -0.7852 -0.7852 3.6427 3.6427 3.6906 3.6906 3.9740 3.9740 4.0348 4.0348 4.1451 4.1451 4.2315 4.2315 4.5477 4.5477 4.6020 4.6020 4.6650 4.6650 4.8705 4.8705 6.4084 6.4084 7.5196 7.5196 7.6106 7.6106 8.1288 8.1288 8.4063 8.4063 8.5922 8.5922 10.3359 10.3359 10.4793 10.4793 10.9682 10.9682 11.2212 11.2212 12.1198 12.1198 k = 0.0870 0.1506-0.0000 ( 5847 PWs) bands (ev): -18.6428 -18.6428 -18.6241 -18.6241 -5.3977 -5.3977 -5.2707 -5.2707 -3.6811 -3.6811 -3.3212 -3.3212 -3.2300 -3.2300 -3.2044 -3.2044 -1.3338 -1.3338 -0.7722 -0.7722 3.6279 3.6279 3.6887 3.6887 3.9604 3.9604 4.0318 4.0318 4.1379 4.1379 4.2341 4.2341 4.5454 4.5454 4.6065 4.6065 4.6626 4.6626 4.8714 4.8714 6.3447 6.3447 7.6292 7.6292 7.7396 7.7396 8.1512 8.1512 8.4435 8.4435 8.6728 8.6728 10.3192 10.3192 10.4117 10.4117 10.8938 10.8938 11.2921 11.2921 12.0730 12.0730 k = 0.0797 0.1381-0.0000 ( 5857 PWs) bands (ev): -18.6435 -18.6435 -18.6247 -18.6247 -5.3981 -5.3981 -5.2666 -5.2666 -3.6853 -3.6853 -3.3065 -3.3065 -3.2288 -3.2288 -3.1973 -3.1973 -1.3614 -1.3614 -0.7598 -0.7598 3.6133 3.6133 3.6876 3.6876 3.9471 3.9471 4.0296 4.0296 4.1309 4.1309 4.2373 4.2373 4.5432 4.5432 4.6100 4.6100 4.6615 4.6615 4.8725 4.8725 6.2840 6.2840 7.7389 7.7389 7.8701 7.8701 8.1740 8.1740 8.4758 8.4758 8.7543 8.7543 10.3030 10.3030 10.3456 10.3456 10.8149 10.8149 11.3622 11.3622 12.0159 12.0159 k = 0.0725 0.1255-0.0000 ( 5859 PWs) bands (ev): -18.6442 -18.6442 -18.6253 -18.6253 -5.3985 -5.3985 -5.2628 -5.2628 -3.6892 -3.6892 -3.2924 -3.2924 -3.2277 -3.2277 -3.1905 -3.1905 -1.3876 -1.3876 -0.7480 -0.7480 3.5994 3.5994 3.6870 3.6870 3.9343 3.9343 4.0280 4.0280 4.1244 4.1244 4.2407 4.2407 4.5409 4.5409 4.6122 4.6122 4.6622 4.6622 4.8736 4.8736 6.2267 6.2267 7.8481 7.8481 8.0007 8.0007 8.1981 8.1981 8.5037 8.5037 8.8362 8.8362 10.2713 10.2713 10.2960 10.2960 10.7327 10.7327 11.4302 11.4302 11.8939 11.8939 k = 0.0652 0.1130-0.0000 ( 5859 PWs) bands (ev): -18.6448 -18.6448 -18.6258 -18.6258 -5.3989 -5.3989 -5.2592 -5.2592 -3.6927 -3.6927 -3.2792 -3.2792 -3.2266 -3.2266 -3.1842 -3.1842 -1.4123 -1.4123 -0.7369 -0.7369 3.5863 3.5863 3.6866 3.6866 3.9221 3.9221 4.0272 4.0272 4.1182 4.1182 4.2444 4.2444 4.5388 4.5388 4.6130 4.6130 4.6646 4.6646 4.8749 4.8749 6.1732 6.1732 7.9561 7.9561 8.1251 8.1251 8.2292 8.2292 8.5273 8.5273 8.9176 8.9176 10.2060 10.2060 10.2802 10.2802 10.6484 10.6484 11.4949 11.4949 11.7683 11.7683 k = 0.0580 0.1004-0.0000 ( 5859 PWs) bands (ev): -18.6454 -18.6454 -18.6263 -18.6263 -5.3992 -5.3992 -5.2560 -5.2560 -3.6959 -3.6959 -3.2670 -3.2670 -3.2253 -3.2253 -3.1784 -3.1784 -1.4351 -1.4351 -0.7268 -0.7268 3.5744 3.5744 3.6864 3.6864 3.9107 3.9107 4.0269 4.0269 4.1124 4.1124 4.2480 4.2480 4.5367 4.5367 4.6127 4.6127 4.6684 4.6684 4.8763 4.8763 6.1238 6.1238 8.0618 8.0618 8.2062 8.2062 8.3038 8.3038 8.5471 8.5471 8.9976 8.9976 10.1358 10.1358 10.2682 10.2682 10.5633 10.5633 11.5543 11.5543 11.6487 11.6487 k = 0.0507 0.0879-0.0000 ( 5855 PWs) bands (ev): -18.6458 -18.6458 -18.6268 -18.6268 -5.3996 -5.3996 -5.2531 -5.2531 -3.6987 -3.6987 -3.2563 -3.2563 -3.2236 -3.2236 -3.1732 -3.1732 -1.4558 -1.4558 -0.7175 -0.7175 3.5637 3.5637 3.6863 3.6863 3.9004 3.9004 4.0271 4.0271 4.1071 4.1071 4.2515 4.2515 4.5348 4.5348 4.6117 4.6117 4.6730 4.6730 4.8777 4.8777 6.0790 6.0790 8.1636 8.1636 8.2376 8.2376 8.4280 8.4280 8.5637 8.5637 9.0751 9.0751 10.0619 10.0619 10.2576 10.2576 10.4790 10.4790 11.5353 11.5353 11.5918 11.5918 k = 0.0435 0.0753-0.0000 ( 5855 PWs) bands (ev): -18.6463 -18.6463 -18.6271 -18.6271 -5.4000 -5.4000 -5.2506 -5.2506 -3.7012 -3.7012 -3.2474 -3.2474 -3.2213 -3.2213 -3.1686 -3.1686 -1.4743 -1.4743 -0.7094 -0.7094 3.5542 3.5542 3.6862 3.6862 3.8911 3.8911 4.0277 4.0277 4.1022 4.1022 4.2548 4.2548 4.5331 4.5331 4.6103 4.6103 4.6780 4.6780 4.8791 4.8791 6.0391 6.0391 8.2473 8.2473 8.2712 8.2712 8.5588 8.5588 8.5802 8.5802 9.1487 9.1487 9.9832 9.9832 10.2483 10.2483 10.3973 10.3973 11.4344 11.4344 11.4972 11.4972 k = 0.0362 0.0628-0.0000 ( 5855 PWs) bands (ev): -18.6467 -18.6467 -18.6275 -18.6275 -5.4003 -5.4003 -5.2484 -5.2484 -3.7033 -3.7033 -3.2409 -3.2409 -3.2181 -3.2181 -3.1646 -3.1646 -1.4904 -1.4904 -0.7023 -0.7023 3.5461 3.5461 3.6862 3.6862 3.8831 3.8831 4.0286 4.0286 4.0978 4.0978 4.2577 4.2577 4.5315 4.5315 4.6087 4.6087 4.6829 4.6829 4.8805 4.8805 6.0045 6.0045 8.2693 8.2693 8.3558 8.3558 8.5865 8.5865 8.6991 8.6991 9.2165 9.2165 9.8985 9.8985 10.2401 10.2401 10.3204 10.3204 11.3450 11.3450 11.4020 11.4020 k = 0.0290 0.0502-0.0000 ( 5855 PWs) bands (ev): -18.6470 -18.6470 -18.6277 -18.6277 -5.4006 -5.4006 -5.2467 -5.2467 -3.7050 -3.7050 -3.2367 -3.2367 -3.2141 -3.2141 -3.1613 -3.1613 -1.5038 -1.5038 -0.6964 -0.6964 3.5394 3.5394 3.6862 3.6862 3.8763 3.8763 4.0296 4.0296 4.0940 4.0940 4.2602 4.2602 4.5301 4.5301 4.6073 4.6073 4.6873 4.6873 4.8818 4.8818 5.9756 5.9756 8.2826 8.2826 8.4367 8.4367 8.5954 8.5954 8.8344 8.8344 9.2763 9.2763 9.8072 9.8072 10.2332 10.2332 10.2510 10.2510 11.2688 11.2688 11.3188 11.3188 k = 0.0217 0.0377-0.0000 ( 5859 PWs) bands (ev): -18.6472 -18.6472 -18.6280 -18.6280 -5.4008 -5.4008 -5.2453 -5.2453 -3.7063 -3.7063 -3.2343 -3.2343 -3.2100 -3.2100 -3.1587 -3.1587 -1.5144 -1.5144 -0.6918 -0.6918 3.5341 3.5341 3.6862 3.6862 3.8710 3.8710 4.0307 4.0307 4.0909 4.0909 4.2622 4.2622 4.5291 4.5291 4.6061 4.6061 4.6910 4.6910 4.8829 4.8829 5.9527 5.9527 8.2928 8.2928 8.5050 8.5050 8.6026 8.6026 8.9685 8.9685 9.3255 9.3255 9.7090 9.7090 10.1922 10.1922 10.2277 10.2277 11.2068 11.2068 11.2512 11.2512 k = 0.0145 0.0251-0.0000 ( 5863 PWs) bands (ev): -18.6474 -18.6474 -18.6281 -18.6281 -5.4009 -5.4009 -5.2443 -5.2443 -3.7073 -3.7073 -3.2329 -3.2329 -3.2066 -3.2066 -3.1568 -3.1568 -1.5220 -1.5220 -0.6885 -0.6885 3.5303 3.5303 3.6862 3.6862 3.8671 3.8671 4.0315 4.0315 4.0886 4.0886 4.2637 4.2637 4.5283 4.5283 4.6051 4.6051 4.6938 4.6938 4.8837 4.8837 5.9361 5.9361 8.3000 8.3000 8.5558 8.5558 8.6097 8.6097 9.0997 9.0997 9.3613 9.3613 9.6050 9.6050 10.1473 10.1473 10.2237 10.2237 11.1599 11.1599 11.2020 11.2020 k = 0.0072 0.0126-0.0000 ( 5871 PWs) bands (ev): -18.6475 -18.6475 -18.6282 -18.6282 -5.4010 -5.4010 -5.2436 -5.2436 -3.7078 -3.7078 -3.2323 -3.2323 -3.2044 -3.2044 -3.1556 -3.1556 -1.5267 -1.5267 -0.6865 -0.6865 3.5280 3.5280 3.6862 3.6862 3.8647 3.8647 4.0321 4.0321 4.0871 4.0871 4.2645 4.2645 4.5278 4.5278 4.6046 4.6046 4.6955 4.6955 4.8842 4.8842 5.9260 5.9260 8.3044 8.3044 8.5831 8.5831 8.6189 8.6189 9.2255 9.2255 9.3779 9.3779 9.5013 9.5013 10.1191 10.1191 10.2212 10.2212 11.1303 11.1303 11.1726 11.1726 k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -18.6475 -18.6475 -18.6282 -18.6282 -5.4011 -5.4011 -5.2434 -5.2434 -3.7080 -3.7080 -3.2320 -3.2320 -3.2037 -3.2037 -3.1553 -3.1553 -1.5282 -1.5282 -0.6858 -0.6858 3.5272 3.5272 3.6862 3.6862 3.8639 3.8639 4.0323 4.0323 4.0867 4.0867 4.2648 4.2648 4.5277 4.5277 4.6044 4.6044 4.6961 4.6961 4.8844 4.8844 5.9227 5.9227 8.3059 8.3059 8.5901 8.5901 8.6245 8.6245 9.3262 9.3262 9.3464 9.3464 9.4450 9.4450 10.1095 10.1095 10.2204 10.2204 11.1201 11.1201 11.1629 11.1629 k = 0.0000 0.0000 0.0000 ( 5881 PWs) bands (ev): -18.6475 -18.6475 -18.6282 -18.6282 -5.4011 -5.4011 -5.2434 -5.2434 -3.7080 -3.7080 -3.2320 -3.2320 -3.2037 -3.2037 -3.1553 -3.1553 -1.5282 -1.5282 -0.6858 -0.6858 3.5272 3.5272 3.6862 3.6862 3.8639 3.8639 4.0323 4.0323 4.0867 4.0867 4.2648 4.2648 4.5277 4.5277 4.6044 4.6044 4.6961 4.6961 4.8844 4.8844 5.9227 5.9227 8.3059 8.3059 8.5901 8.5901 8.6245 8.6245 9.3262 9.3262 9.3464 9.3464 9.4450 9.4450 10.1095 10.1095 10.2204 10.2204 11.1201 11.1201 11.1629 11.1629 k = 0.0000 0.0000 0.0144 ( 5869 PWs) bands (ev): -18.6475 -18.6475 -18.6283 -18.6283 -5.4007 -5.4007 -5.2437 -5.2437 -3.7074 -3.7074 -3.2335 -3.2335 -3.2036 -3.2036 -3.1554 -3.1554 -1.5262 -1.5262 -0.6872 -0.6872 3.5275 3.5275 3.6859 3.6859 3.8642 3.8642 4.0320 4.0320 4.0869 4.0869 4.2644 4.2644 4.5279 4.5279 4.6046 4.6046 4.6958 4.6958 4.8831 4.8831 5.9269 5.9269 8.2954 8.2954 8.5911 8.5911 8.6256 8.6256 9.3290 9.3290 9.3497 9.3497 9.4425 9.4425 10.1092 10.1092 10.2246 10.2246 11.1222 11.1222 11.1651 11.1651 k = 0.0000 0.0000 0.0288 ( 5869 PWs) bands (ev): -18.6474 -18.6474 -18.6284 -18.6284 -5.3997 -5.3997 -5.2445 -5.2445 -3.7057 -3.7057 -3.2378 -3.2378 -3.2033 -3.2033 -3.1556 -3.1556 -1.5200 -1.5200 -0.6913 -0.6913 3.5284 3.5284 3.6850 3.6850 3.8652 3.8652 4.0310 4.0310 4.0877 4.0877 4.2630 4.2630 4.5288 4.5288 4.6054 4.6054 4.6948 4.6948 4.8789 4.8789 5.9396 5.9396 8.2651 8.2651 8.5943 8.5943 8.6290 8.6290 9.3273 9.3273 9.3686 9.3686 9.4351 9.4351 10.1084 10.1084 10.2374 10.2374 11.1285 11.1285 11.1718 11.1718 k = 0.0000 0.0000 0.0432 ( 5857 PWs) bands (ev): -18.6472 -18.6472 -18.6286 -18.6286 -5.3981 -5.3981 -5.2458 -5.2458 -3.7028 -3.7028 -3.2449 -3.2449 -3.2029 -3.2029 -3.1561 -3.1561 -1.5099 -1.5099 -0.6981 -0.6981 3.5299 3.5299 3.6835 3.6835 3.8667 3.8667 4.0293 4.0293 4.0890 4.0890 4.2607 4.2607 4.5303 4.5303 4.6066 4.6066 4.6931 4.6931 4.8722 4.8722 5.9604 5.9604 8.2179 8.2179 8.5996 8.5996 8.6346 8.6346 9.3181 9.3181 9.4030 9.4030 9.4229 9.4229 10.1071 10.1071 10.2589 10.2589 11.1391 11.1391 11.1830 11.1830 k = 0.0000 0.0000 0.0576 ( 5857 PWs) bands (ev): -18.6469 -18.6469 -18.6288 -18.6288 -5.3957 -5.3957 -5.2476 -5.2476 -3.6987 -3.6987 -3.2546 -3.2546 -3.2023 -3.2023 -3.1567 -3.1567 -1.4960 -1.4960 -0.7076 -0.7076 3.5320 3.5320 3.6814 3.6814 3.8689 3.8689 4.0270 4.0270 4.0909 4.0909 4.2575 4.2575 4.5324 4.5324 4.6083 4.6083 4.6908 4.6908 4.8632 4.8632 5.9889 5.9889 8.1572 8.1572 8.6070 8.6070 8.6424 8.6424 9.3041 9.3041 9.4064 9.4064 9.4467 9.4467 10.1053 10.1053 10.2894 10.2894 11.1539 11.1539 11.1986 11.1986 k = 0.0000 0.0000 0.0720 ( 5851 PWs) bands (ev): -18.6466 -18.6466 -18.6291 -18.6291 -5.3928 -5.3928 -5.2499 -5.2499 -3.6934 -3.6934 -3.2667 -3.2667 -3.2015 -3.2015 -3.1576 -3.1576 -1.4785 -1.4785 -0.7197 -0.7197 3.5347 3.5347 3.6788 3.6788 3.8717 3.8717 4.0240 4.0240 4.0932 4.0932 4.2534 4.2534 4.5351 4.5351 4.6106 4.6106 4.6877 4.6877 4.8525 4.8525 6.0247 6.0247 8.0864 8.0864 8.6165 8.6165 8.6525 8.6525 9.2863 9.2863 9.3859 9.3859 9.4953 9.4953 10.1028 10.1028 10.3290 10.3290 11.1729 11.1729 11.2187 11.2187 k = 0.0000 0.0000 0.0864 ( 5838 PWs) bands (ev): -18.6462 -18.6462 -18.6295 -18.6295 -5.3893 -5.3893 -5.2527 -5.2527 -3.6870 -3.6870 -3.2809 -3.2809 -3.2005 -3.2005 -3.1586 -3.1586 -1.4577 -1.4577 -0.7343 -0.7343 3.5379 3.5379 3.6756 3.6756 3.8751 3.8751 4.0205 4.0205 4.0961 4.0961 4.2487 4.2487 4.5383 4.5383 4.6134 4.6134 4.6841 4.6841 4.8404 4.8404 6.0670 6.0670 8.0081 8.0081 8.6279 8.6279 8.6646 8.6646 9.2653 9.2653 9.3617 9.3617 9.5456 9.5456 10.0995 10.0995 10.3781 10.3781 11.1961 11.1961 11.2431 11.2431 k = 0.0000 0.0000 0.1008 ( 5844 PWs) bands (ev): -18.6458 -18.6458 -18.6300 -18.6300 -5.3852 -5.3852 -5.2560 -5.2560 -3.6793 -3.6793 -3.2970 -3.2970 -3.1994 -3.1994 -3.1597 -3.1597 -1.4339 -1.4339 -0.7515 -0.7515 3.5416 3.5416 3.6718 3.6718 3.8790 3.8790 4.0164 4.0164 4.0994 4.0994 4.2431 4.2431 4.5420 4.5420 4.6167 4.6167 4.6799 4.6799 4.8273 4.8273 6.1155 6.1155 7.9246 7.9246 8.6414 8.6414 8.6789 8.6789 9.2414 9.2414 9.3346 9.3346 9.5954 9.5954 10.0955 10.0955 10.4364 10.4364 11.2235 11.2235 11.2721 11.2721 k = 0.0000 0.0000 0.1152 ( 5856 PWs) bands (ev): -18.6453 -18.6453 -18.6305 -18.6305 -5.3806 -5.3806 -5.2597 -5.2597 -3.6706 -3.6706 -3.3147 -3.3147 -3.1981 -3.1981 -3.1610 -3.1610 -1.4074 -1.4074 -0.7710 -0.7710 3.5458 3.5458 3.6675 3.6675 3.8834 3.8834 4.0118 4.0118 4.1031 4.1031 4.2370 4.2370 4.5462 4.5462 4.6205 4.6205 4.6751 4.6751 4.8136 4.8136 6.1695 6.1695 7.8372 7.8372 8.6568 8.6568 8.6953 8.6953 9.2151 9.2151 9.3048 9.3048 9.6433 9.6433 10.0907 10.0907 10.5036 10.5036 11.2550 11.2550 11.3054 11.3054 k = 0.0000 0.0000 0.1296 ( 5868 PWs) bands (ev): -18.6447 -18.6447 -18.6311 -18.6311 -5.3755 -5.3755 -5.2639 -5.2639 -3.6606 -3.6606 -3.3337 -3.3337 -3.1967 -3.1967 -3.1625 -3.1625 -1.3786 -1.3786 -0.7927 -0.7927 3.5505 3.5505 3.6628 3.6628 3.8883 3.8883 4.0068 4.0068 4.1072 4.1072 4.2304 4.2304 4.5509 4.5509 4.6247 4.6247 4.6699 4.6699 4.7997 4.7997 6.2284 6.2284 7.7472 7.7472 8.6741 8.6741 8.7137 8.7137 9.1869 9.1869 9.2730 9.2730 9.6884 9.6884 10.0848 10.0848 10.5792 10.5792 11.2907 11.2907 11.3430 11.3430 k = 0.0000 0.0000 0.1440 ( 5850 PWs) bands (ev): -18.6441 -18.6441 -18.6317 -18.6317 -5.3700 -5.3700 -5.2685 -5.2685 -3.6495 -3.6495 -3.3538 -3.3538 -3.1952 -3.1952 -3.1640 -3.1640 -1.3477 -1.3477 -0.8166 -0.8166 3.5556 3.5556 3.6577 3.6577 3.8936 3.8936 4.0013 4.0013 4.1118 4.1118 4.2234 4.2234 4.5561 4.5561 4.6295 4.6295 4.6642 4.6642 4.7858 4.7858 6.2920 6.2920 7.6555 7.6555 8.6932 8.6932 8.7341 8.7341 9.1571 9.1571 9.2396 9.2396 9.7304 9.7304 10.0779 10.0779 10.6624 10.6624 11.3306 11.3306 11.3850 11.3850 k = 0.0000 0.0000 0.1584 ( 5826 PWs) bands (ev): -18.6434 -18.6434 -18.6324 -18.6324 -5.3641 -5.3641 -5.2735 -5.2735 -3.6373 -3.6373 -3.3746 -3.3746 -3.1935 -3.1935 -3.1657 -3.1657 -1.3152 -1.3152 -0.8425 -0.8425 3.5611 3.5611 3.6522 3.6522 3.8995 3.8995 3.9954 3.9954 4.1168 4.1168 4.2160 4.2160 4.5618 4.5618 4.6350 4.6350 4.6582 4.6582 4.7720 4.7720 6.3596 6.3596 7.5627 7.5627 8.7141 8.7141 8.7563 8.7563 9.1260 9.1260 9.2049 9.2049 9.7693 9.7693 10.0697 10.0697 10.7521 10.7521 11.3745 11.3745 11.4313 11.4313 k = 0.0000 0.0000 0.1728 ( 5808 PWs) bands (ev): -18.6427 -18.6427 -18.6331 -18.6331 -5.3579 -5.3579 -5.2789 -5.2789 -3.6239 -3.6239 -3.3958 -3.3958 -3.1917 -3.1917 -3.1675 -3.1675 -1.2814 -1.2814 -0.8703 -0.8703 3.5670 3.5670 3.6463 3.6463 3.9056 3.9056 3.9892 3.9892 4.1223 4.1223 4.2084 4.2084 4.5679 4.5679 4.6410 4.6410 4.6518 4.6518 4.7586 4.7586 6.4310 6.4310 7.4695 7.4695 8.7366 8.7366 8.7804 8.7804 9.0942 9.0942 9.1695 9.1695 9.8053 9.8053 10.0602 10.0602 10.8475 10.8475 11.4224 11.4224 11.4818 11.4818 k = 0.0000 0.0000 0.1873 ( 5820 PWs) bands (ev): -18.6420 -18.6420 -18.6338 -18.6338 -5.3514 -5.3514 -5.2847 -5.2847 -3.6094 -3.6094 -3.4174 -3.4174 -3.1899 -3.1899 -3.1694 -3.1694 -1.2465 -1.2465 -0.8997 -0.8997 3.5731 3.5731 3.6402 3.6402 3.9120 3.9120 3.9827 3.9827 4.1280 4.1280 4.2007 4.2007 4.5741 4.5741 4.6451 4.6451 4.6474 4.6474 4.7455 4.7455 6.5058 6.5058 7.3761 7.3761 8.7607 8.7607 8.8062 8.8062 9.0618 9.0618 9.1336 9.1336 9.8384 9.8384 10.0492 10.0492 10.9476 10.9476 11.4742 11.4742 11.5366 11.5366 k = 0.0000 0.0000 0.2017 ( 5820 PWs) bands (ev): -18.6412 -18.6412 -18.6346 -18.6346 -5.3447 -5.3447 -5.2907 -5.2907 -3.5939 -3.5939 -3.4390 -3.4390 -3.1879 -3.1879 -3.1714 -3.1714 -1.2109 -1.2109 -0.9307 -0.9307 3.5795 3.5795 3.6338 3.6338 3.9187 3.9187 3.9759 3.9759 4.1341 4.1341 4.1928 4.1928 4.5807 4.5807 4.6381 4.6381 4.6545 4.6545 4.7330 4.7330 6.5836 6.5836 7.2830 7.2830 8.7863 8.7863 8.8337 8.8337 9.0291 9.0291 9.0977 9.0977 9.8691 9.8691 10.0367 10.0367 11.0516 11.0516 11.5294 11.5294 11.5954 11.5954 k = 0.0000 0.0000 0.2161 ( 5826 PWs) bands (ev): -18.6404 -18.6404 -18.6354 -18.6354 -5.3379 -5.3379 -5.2970 -5.2970 -3.5773 -3.5773 -3.4604 -3.4604 -3.1859 -3.1859 -3.1734 -3.1734 -1.1748 -1.1748 -0.9631 -0.9631 3.5861 3.5861 3.6272 3.6272 3.9256 3.9256 3.9689 3.9689 4.1406 4.1406 4.1849 4.1849 4.5875 4.5875 4.6310 4.6310 4.6621 4.6621 4.7210 4.7210 6.6642 6.6642 7.1906 7.1906 8.8132 8.8132 8.8627 8.8627 8.9965 8.9965 9.0618 9.0618 9.8973 9.8973 10.0225 10.0225 11.1587 11.1587 11.5869 11.5869 11.6583 11.6583 k = 0.0000 0.0000 0.2305 ( 5820 PWs) bands (ev): -18.6396 -18.6396 -18.6362 -18.6362 -5.3310 -5.3310 -5.3035 -5.3035 -3.5598 -3.5598 -3.4815 -3.4815 -3.1839 -3.1839 -3.1755 -3.1755 -1.1386 -1.1386 -0.9967 -0.9967 3.5928 3.5928 3.6204 3.6204 3.9327 3.9327 3.9618 3.9618 4.1474 4.1474 4.1770 4.1770 4.5946 4.5946 4.6237 4.6237 4.6705 4.6705 4.7097 4.7097 6.7473 6.7473 7.0990 7.0990 8.8414 8.8414 8.8931 8.8931 8.9642 8.9642 9.0264 9.0264 9.9233 9.9233 10.0065 10.0065 11.2681 11.2681 11.6371 11.6371 11.7251 11.7251 k = 0.0000 0.0000 0.2449 ( 5808 PWs) bands (ev): -18.6388 -18.6388 -18.6370 -18.6370 -5.3240 -5.3240 -5.3103 -5.3103 -3.5413 -3.5413 -3.5021 -3.5021 -3.1818 -3.1818 -3.1775 -3.1775 -1.1024 -1.1024 -1.0312 -1.0312 3.5997 3.5997 3.6135 3.6135 3.9400 3.9400 3.9546 3.9546 4.1545 4.1545 4.1694 4.1694 4.6018 4.6018 4.6164 4.6164 4.6793 4.6793 4.6989 4.6989 6.8325 6.8325 7.0087 7.0087 8.8708 8.8708 8.9249 8.9249 8.9323 8.9323 8.9917 8.9917 9.9471 9.9471 9.9886 9.9886 11.3790 11.3790 11.5961 11.5961 11.7426 11.7426 k = 0.0000 0.0000 0.2593 ( 5808 PWs) bands (ev): -18.6381 -18.6381 -18.6377 -18.6377 -5.3173 -5.3173 -5.3169 -5.3169 -3.5222 -3.5222 -3.5219 -3.5219 -3.1799 -3.1799 -3.1794 -3.1794 -1.0665 -1.0665 -1.0665 -1.0665 3.6066 3.6066 3.6066 3.6066 3.9473 3.9473 3.9473 3.9473 4.1618 4.1618 4.1618 4.1618 4.6091 4.6091 4.6091 4.6091 4.6888 4.6888 4.6888 4.6888 6.9197 6.9197 6.9198 6.9198 8.9011 8.9011 8.9012 8.9012 8.9577 8.9577 8.9578 8.9578 9.9689 9.9689 9.9689 9.9689 11.4901 11.4901 11.4902 11.4902 11.8062 11.8062 k = 0.0000 0.0000 0.2593 ( 5808 PWs) bands (ev): -18.6381 -18.6381 -18.6377 -18.6377 -5.3173 -5.3173 -5.3169 -5.3169 -3.5222 -3.5222 -3.5219 -3.5219 -3.1799 -3.1799 -3.1794 -3.1794 -1.0665 -1.0665 -1.0665 -1.0665 3.6066 3.6066 3.6066 3.6066 3.9473 3.9473 3.9473 3.9473 4.1618 4.1618 4.1618 4.1618 4.6091 4.6091 4.6091 4.6091 4.6888 4.6888 4.6888 4.6888 6.9197 6.9197 6.9198 6.9198 8.9011 8.9011 8.9012 8.9012 8.9577 8.9577 8.9578 8.9578 9.9689 9.9689 9.9689 9.9689 11.4901 11.4901 11.4902 11.4902 11.8062 11.8062 k = 0.0125 0.0072 0.2593 ( 5818 PWs) bands (ev): -18.6381 -18.6381 -18.6376 -18.6376 -5.3174 -5.3174 -5.3170 -5.3170 -3.5222 -3.5222 -3.5218 -3.5218 -3.1803 -3.1803 -3.1799 -3.1799 -1.0662 -1.0662 -1.0661 -1.0661 3.6070 3.6070 3.6070 3.6070 3.9476 3.9476 3.9476 3.9476 4.1618 4.1618 4.1619 4.1619 4.6085 4.6085 4.6085 4.6085 4.6894 4.6894 4.6895 4.6895 6.9208 6.9208 6.9209 6.9209 8.8921 8.8921 8.8922 8.8922 8.9494 8.9494 8.9494 8.9494 9.9820 9.9820 9.9820 9.9820 11.4836 11.4836 11.4838 11.4838 11.8078 11.8078 k = 0.0250 0.0144 0.2593 ( 5818 PWs) bands (ev): -18.6380 -18.6380 -18.6375 -18.6375 -5.3177 -5.3177 -5.3172 -5.3172 -3.5221 -3.5221 -3.5217 -3.5217 -3.1817 -3.1817 -3.1812 -3.1812 -1.0651 -1.0651 -1.0651 -1.0651 3.6081 3.6081 3.6081 3.6081 3.9486 3.9486 3.9486 3.9486 4.1619 4.1619 4.1620 4.1620 4.6069 4.6069 4.6069 4.6069 4.6912 4.6912 4.6913 4.6913 6.9242 6.9242 6.9242 6.9242 8.8603 8.8603 8.8603 8.8603 8.9313 8.9313 8.9313 8.9313 10.0192 10.0192 10.0192 10.0192 11.4655 11.4655 11.4656 11.4656 11.8119 11.8119 k = 0.0375 0.0217 0.2593 ( 5818 PWs) bands (ev): -18.6378 -18.6378 -18.6374 -18.6374 -5.3181 -5.3181 -5.3177 -5.3177 -3.5219 -3.5219 -3.5216 -3.5216 -3.1839 -3.1839 -3.1834 -3.1834 -1.0634 -1.0634 -1.0633 -1.0633 3.6099 3.6099 3.6099 3.6099 3.9502 3.9502 3.9502 3.9502 4.1621 4.1621 4.1622 4.1622 4.6045 4.6045 4.6045 4.6045 4.6941 4.6941 4.6941 4.6941 6.9296 6.9296 6.9297 6.9297 8.8026 8.8026 8.8027 8.8027 8.9119 8.9119 8.9120 8.9120 10.0750 10.0750 10.0750 10.0750 11.4386 11.4386 11.4387 11.4387 11.8166 11.8167 k = 0.0500 0.0289 0.2593 ( 5834 PWs) bands (ev): -18.6376 -18.6376 -18.6371 -18.6371 -5.3187 -5.3187 -5.3183 -5.3183 -3.5217 -3.5217 -3.5213 -3.5213 -3.1869 -3.1869 -3.1865 -3.1865 -1.0609 -1.0609 -1.0609 -1.0609 3.6124 3.6124 3.6124 3.6124 3.9524 3.9524 3.9525 3.9525 4.1624 4.1624 4.1624 4.1624 4.6013 4.6013 4.6013 4.6013 4.6978 4.6978 4.6978 4.6978 6.9370 6.9370 6.9371 6.9371 8.7259 8.7259 8.7259 8.7259 8.8907 8.8907 8.8907 8.8907 10.1434 10.1434 10.1434 10.1434 11.4060 11.4060 11.4061 11.4061 11.8196 11.8196 k = 0.0625 0.0361 0.2593 ( 5840 PWs) bands (ev): -18.6373 -18.6373 -18.6369 -18.6369 -5.3195 -5.3195 -5.3191 -5.3191 -3.5214 -3.5214 -3.5211 -3.5211 -3.1908 -3.1908 -3.1904 -3.1904 -1.0579 -1.0579 -1.0578 -1.0578 3.6156 3.6156 3.6156 3.6156 3.9554 3.9554 3.9554 3.9554 4.1628 4.1628 4.1628 4.1628 4.5976 4.5976 4.5976 4.5976 4.7022 4.7022 4.7022 4.7022 6.9461 6.9461 6.9462 6.9462 8.6369 8.6369 8.6369 8.6369 8.8659 8.8659 8.8660 8.8660 10.2192 10.2192 10.2193 10.2193 11.3701 11.3701 11.3702 11.3702 11.8174 11.8174 k = 0.0750 0.0433 0.2593 ( 5846 PWs) bands (ev): -18.6370 -18.6370 -18.6365 -18.6365 -5.3204 -5.3204 -5.3200 -5.3200 -3.5211 -3.5211 -3.5207 -3.5207 -3.1954 -3.1954 -3.1950 -3.1950 -1.0542 -1.0542 -1.0541 -1.0541 3.6196 3.6196 3.6196 3.6196 3.9589 3.9589 3.9589 3.9589 4.1633 4.1633 4.1634 4.1634 4.5937 4.5937 4.5937 4.5937 4.7071 4.7071 4.7071 4.7071 6.9565 6.9565 6.9565 6.9565 8.5404 8.5404 8.5404 8.5404 8.8372 8.8372 8.8373 8.8373 10.2983 10.2983 10.2983 10.2983 11.3323 11.3323 11.3324 11.3324 11.8062 11.8063 k = 0.0875 0.0505 0.2593 ( 5842 PWs) bands (ev): -18.6366 -18.6366 -18.6361 -18.6361 -5.3216 -5.3216 -5.3211 -5.3211 -3.5207 -3.5207 -3.5204 -3.5204 -3.2007 -3.2007 -3.2003 -3.2003 -1.0499 -1.0499 -1.0499 -1.0499 3.6242 3.6242 3.6242 3.6242 3.9631 3.9631 3.9631 3.9631 4.1640 4.1640 4.1641 4.1641 4.5896 4.5896 4.5896 4.5896 4.7123 4.7123 4.7123 4.7123 6.9677 6.9677 6.9678 6.9678 8.4396 8.4396 8.4397 8.4397 8.8045 8.8045 8.8045 8.8045 10.3772 10.3772 10.3773 10.3773 11.2938 11.2938 11.2939 11.2939 11.7876 11.7876 k = 0.1000 0.0577 0.2593 ( 5836 PWs) bands (ev): -18.6361 -18.6361 -18.6356 -18.6356 -5.3228 -5.3228 -5.3224 -5.3224 -3.5204 -3.5204 -3.5200 -3.5200 -3.2066 -3.2066 -3.2062 -3.2062 -1.0451 -1.0451 -1.0451 -1.0451 3.6296 3.6296 3.6296 3.6296 3.9680 3.9680 3.9680 3.9680 4.1650 4.1650 4.1650 4.1650 4.5855 4.5855 4.5855 4.5855 4.7178 4.7178 4.7178 4.7178 6.9791 6.9791 6.9792 6.9792 8.3371 8.3371 8.3372 8.3372 8.7679 8.7679 8.7679 8.7679 10.4528 10.4528 10.4529 10.4529 11.2555 11.2555 11.2556 11.2556 11.7663 11.7663 k = 0.1125 0.0650 0.2593 ( 5836 PWs) bands (ev): -18.6356 -18.6356 -18.6351 -18.6351 -5.3243 -5.3243 -5.3239 -5.3239 -3.5200 -3.5200 -3.5196 -3.5196 -3.2131 -3.2131 -3.2126 -3.2126 -1.0399 -1.0399 -1.0398 -1.0398 3.6356 3.6356 3.6356 3.6356 3.9734 3.9734 3.9734 3.9734 4.1661 4.1661 4.1661 4.1661 4.5814 4.5814 4.5814 4.5814 4.7235 4.7235 4.7235 4.7235 6.9899 6.9899 6.9900 6.9900 8.2350 8.2350 8.2351 8.2351 8.7278 8.7278 8.7278 8.7278 10.5218 10.5218 10.5219 10.5219 11.2185 11.2185 11.2186 11.2186 11.7470 11.7470 k = 0.1250 0.0722 0.2593 ( 5846 PWs) bands (ev): -18.6350 -18.6350 -18.6346 -18.6346 -5.3259 -5.3259 -5.3255 -5.3255 -3.5196 -3.5196 -3.5193 -3.5193 -3.2200 -3.2200 -3.2195 -3.2195 -1.0342 -1.0342 -1.0342 -1.0342 3.6422 3.6422 3.6422 3.6422 3.9793 3.9793 3.9793 3.9793 4.1675 4.1675 4.1675 4.1675 4.5775 4.5775 4.5775 4.5775 4.7293 4.7293 4.7293 4.7293 6.9989 6.9989 6.9990 6.9990 8.1352 8.1352 8.1353 8.1353 8.6844 8.6844 8.6844 8.6844 10.5806 10.5806 10.5806 10.5806 11.1845 11.1845 11.1846 11.1846 11.7339 11.7339 k = 0.1375 0.0794 0.2593 ( 5858 PWs) bands (ev): -18.6344 -18.6344 -18.6340 -18.6340 -5.3277 -5.3277 -5.3272 -5.3272 -3.5193 -3.5193 -3.5190 -3.5190 -3.2272 -3.2272 -3.2268 -3.2268 -1.0281 -1.0281 -1.0281 -1.0281 3.6496 3.6496 3.6496 3.6496 3.9857 3.9857 3.9857 3.9857 4.1693 4.1693 4.1693 4.1693 4.5738 4.5738 4.5738 4.5738 4.7351 4.7351 4.7351 4.7351 7.0047 7.0047 7.0047 7.0047 8.0399 8.0399 8.0400 8.0400 8.6382 8.6382 8.6382 8.6382 10.6246 10.6246 10.6246 10.6246 11.1564 11.1564 11.1565 11.1565 11.7305 11.7305 k = 0.1500 0.0866 0.2593 ( 5840 PWs) bands (ev): -18.6338 -18.6338 -18.6333 -18.6333 -5.3296 -5.3296 -5.3292 -5.3292 -3.5191 -3.5191 -3.5187 -3.5187 -3.2347 -3.2347 -3.2343 -3.2343 -1.0218 -1.0218 -1.0217 -1.0217 3.6576 3.6576 3.6576 3.6576 3.9927 3.9927 3.9927 3.9927 4.1715 4.1715 4.1715 4.1715 4.5703 4.5703 4.5703 4.5703 4.7410 4.7410 4.7410 4.7410 7.0052 7.0052 7.0052 7.0052 7.9515 7.9515 7.9515 7.9515 8.5895 8.5895 8.5895 8.5895 10.6495 10.6495 10.6496 10.6496 11.1370 11.1370 11.1371 11.1371 11.7392 11.7392 k = 0.1625 0.0938 0.2593 ( 5842 PWs) bands (ev): -18.6331 -18.6331 -18.6326 -18.6326 -5.3316 -5.3316 -5.3312 -5.3312 -3.5190 -3.5190 -3.5186 -3.5186 -3.2424 -3.2424 -3.2420 -3.2420 -1.0151 -1.0151 -1.0151 -1.0151 3.6662 3.6662 3.6662 3.6662 4.0000 4.0000 4.0000 4.0000 4.1741 4.1741 4.1741 4.1741 4.5671 4.5671 4.5671 4.5671 4.7468 4.7468 4.7469 4.7469 6.9981 6.9981 6.9981 6.9981 7.8725 7.8725 7.8725 7.8725 8.5387 8.5387 8.5387 8.5387 10.6531 10.6531 10.6532 10.6532 11.1284 11.1284 11.1285 11.1285 11.7617 11.7618 k = 0.1750 0.1010 0.2593 ( 5842 PWs) bands (ev): -18.6324 -18.6324 -18.6319 -18.6319 -5.3338 -5.3338 -5.3334 -5.3334 -3.5189 -3.5189 -3.5186 -3.5186 -3.2502 -3.2502 -3.2498 -3.2498 -1.0083 -1.0083 -1.0083 -1.0083 3.6755 3.6755 3.6755 3.6755 4.0076 4.0076 4.0076 4.0076 4.1773 4.1773 4.1774 4.1774 4.5643 4.5643 4.5643 4.5643 4.7526 4.7526 4.7526 4.7526 6.9808 6.9808 6.9808 6.9808 7.8058 7.8058 7.8059 7.8059 8.4861 8.4861 8.4862 8.4862 10.6366 10.6366 10.6367 10.6367 11.1295 11.1295 11.1296 11.1296 11.7983 11.7983 k = 0.1875 0.1083 0.2593 ( 5842 PWs) bands (ev): -18.6316 -18.6316 -18.6311 -18.6311 -5.3362 -5.3362 -5.3357 -5.3357 -3.5191 -3.5191 -3.5188 -3.5188 -3.2579 -3.2579 -3.2576 -3.2576 -1.0014 -1.0014 -1.0014 -1.0014 3.6854 3.6854 3.6854 3.6854 4.0155 4.0155 4.0155 4.0155 4.1812 4.1812 4.1812 4.1812 4.5617 4.5617 4.5617 4.5617 4.7583 4.7583 4.7583 4.7583 6.9511 6.9511 6.9512 6.9512 7.7538 7.7538 7.7538 7.7538 8.4323 8.4323 8.4323 8.4323 10.6043 10.6043 10.6044 10.6044 11.1373 11.1373 11.1373 11.1373 11.8484 11.8485 k = 0.2000 0.1155 0.2593 ( 5852 PWs) bands (ev): -18.6308 -18.6308 -18.6304 -18.6304 -5.3386 -5.3386 -5.3382 -5.3382 -3.5195 -3.5195 -3.5191 -3.5191 -3.2655 -3.2655 -3.2652 -3.2652 -0.9943 -0.9943 -0.9943 -0.9943 3.6960 3.6960 3.6960 3.6960 4.0234 4.0234 4.0234 4.0234 4.1857 4.1857 4.1857 4.1857 4.5594 4.5594 4.5594 4.5594 4.7638 4.7638 4.7639 4.7639 6.9080 6.9080 6.9080 6.9080 7.7175 7.7175 7.7175 7.7175 8.3774 8.3774 8.3774 8.3774 10.5615 10.5615 10.5616 10.5616 11.1483 11.1483 11.1483 11.1483 11.9104 11.9104 k = 0.2125 0.1227 0.2593 ( 5848 PWs) bands (ev): -18.6300 -18.6300 -18.6296 -18.6296 -5.3412 -5.3412 -5.3407 -5.3407 -3.5201 -3.5201 -3.5197 -3.5197 -3.2729 -3.2729 -3.2725 -3.2725 -0.9872 -0.9872 -0.9872 -0.9872 3.7072 3.7072 3.7072 3.7072 4.0314 4.0314 4.0314 4.0314 4.1911 4.1911 4.1911 4.1911 4.5575 4.5575 4.5575 4.5575 4.7692 4.7692 4.7693 4.7693 6.8520 6.8520 6.8521 6.8521 7.6964 7.6964 7.6964 7.6964 8.3219 8.3219 8.3219 8.3219 10.5123 10.5123 10.5124 10.5124 11.1607 11.1607 11.1607 11.1607 11.9823 11.9823 k = 0.2250 0.1299 0.2593 ( 5844 PWs) bands (ev): -18.6292 -18.6292 -18.6287 -18.6287 -5.3438 -5.3438 -5.3434 -5.3434 -3.5209 -3.5209 -3.5206 -3.5206 -3.2800 -3.2800 -3.2796 -3.2796 -0.9801 -0.9801 -0.9801 -0.9801 3.7190 3.7190 3.7190 3.7190 4.0392 4.0392 4.0392 4.0392 4.1974 4.1974 4.1974 4.1974 4.5559 4.5559 4.5559 4.5559 4.7745 4.7745 4.7745 4.7745 6.7852 6.7852 6.7852 6.7852 7.6885 7.6885 7.6885 7.6885 8.2662 8.2662 8.2662 8.2662 10.4598 10.4598 10.4599 10.4599 11.1733 11.1733 11.1734 11.1734 12.0622 12.0622 k = 0.2375 0.1371 0.2593 ( 5846 PWs) bands (ev): -18.6284 -18.6284 -18.6279 -18.6279 -5.3465 -5.3465 -5.3461 -5.3461 -3.5221 -3.5221 -3.5217 -3.5217 -3.2866 -3.2866 -3.2862 -3.2862 -0.9731 -0.9731 -0.9731 -0.9731 3.7315 3.7315 3.7315 3.7315 4.0467 4.0467 4.0467 4.0467 4.2046 4.2046 4.2046 4.2046 4.5546 4.5546 4.5546 4.5546 4.7795 4.7795 4.7795 4.7795 6.7102 6.7102 6.7102 6.7102 7.6909 7.6909 7.6910 7.6910 8.2105 8.2105 8.2105 8.2105 10.4062 10.4062 10.4063 10.4063 11.1860 11.1860 11.1860 11.1860 12.1481 12.1481 k = 0.2500 0.1443 0.2593 ( 5844 PWs) bands (ev): -18.6275 -18.6275 -18.6271 -18.6271 -5.3493 -5.3493 -5.3489 -5.3489 -3.5235 -3.5235 -3.5232 -3.5232 -3.2928 -3.2928 -3.2924 -3.2924 -0.9661 -0.9661 -0.9661 -0.9661 3.7446 3.7446 3.7446 3.7446 4.0538 4.0538 4.0538 4.0538 4.2129 4.2129 4.2129 4.2129 4.5536 4.5536 4.5536 4.5536 4.7843 4.7843 4.7843 4.7843 6.6296 6.6296 6.6296 6.6296 7.7012 7.7012 7.7012 7.7012 8.1553 8.1553 8.1553 8.1553 10.3529 10.3529 10.3530 10.3530 11.1986 11.1986 11.1986 11.1986 12.2385 12.2385 k = 0.2625 0.1516 0.2593 ( 5844 PWs) bands (ev): -18.6267 -18.6267 -18.6262 -18.6262 -5.3521 -5.3521 -5.3517 -5.3517 -3.5253 -3.5253 -3.5250 -3.5250 -3.2985 -3.2985 -3.2981 -3.2981 -0.9593 -0.9593 -0.9593 -0.9593 3.7583 3.7583 3.7583 3.7583 4.0605 4.0605 4.0605 4.0605 4.2222 4.2222 4.2222 4.2222 4.5530 4.5530 4.5530 4.5530 4.7888 4.7888 4.7888 4.7888 6.5456 6.5456 6.5456 6.5456 7.7168 7.7168 7.7168 7.7168 8.1009 8.1009 8.1009 8.1009 10.3010 10.3010 10.3011 10.3011 11.2111 11.2111 11.2111 11.2111 12.3320 12.3320 k = 0.2750 0.1588 0.2593 ( 5836 PWs) bands (ev): -18.6259 -18.6259 -18.6254 -18.6254 -5.3550 -5.3550 -5.3546 -5.3546 -3.5274 -3.5274 -3.5271 -3.5271 -3.3035 -3.3035 -3.3032 -3.3032 -0.9527 -0.9527 -0.9527 -0.9527 3.7726 3.7726 3.7726 3.7726 4.0666 4.0666 4.0666 4.0666 4.2325 4.2325 4.2325 4.2325 4.5527 4.5527 4.5527 4.5527 4.7931 4.7931 4.7931 4.7931 6.4599 6.4599 6.4599 6.4599 7.7358 7.7358 7.7358 7.7358 8.0479 8.0479 8.0479 8.0479 10.2512 10.2512 10.2513 10.2513 11.2235 11.2235 11.2235 11.2235 12.4276 12.4276 k = 0.2875 0.1660 0.2593 ( 5828 PWs) bands (ev): -18.6251 -18.6251 -18.6246 -18.6246 -5.3578 -5.3578 -5.3574 -5.3574 -3.5298 -3.5298 -3.5295 -3.5295 -3.3081 -3.3081 -3.3077 -3.3077 -0.9462 -0.9462 -0.9462 -0.9462 3.7874 3.7874 3.7874 3.7874 4.0722 4.0722 4.0722 4.0722 4.2438 4.2438 4.2438 4.2438 4.5526 4.5526 4.5526 4.5526 4.7970 4.7970 4.7970 4.7970 6.3738 6.3738 6.3738 6.3738 7.7563 7.7563 7.7564 7.7564 7.9970 7.9970 7.9970 7.9970 10.2041 10.2041 10.2042 10.2042 11.2356 11.2356 11.2357 11.2357 12.5240 12.5240 k = 0.3000 0.1732 0.2593 ( 5824 PWs) bands (ev): -18.6243 -18.6243 -18.6238 -18.6238 -5.3607 -5.3607 -5.3603 -5.3603 -3.5325 -3.5325 -3.5322 -3.5322 -3.3120 -3.3120 -3.3116 -3.3116 -0.9400 -0.9400 -0.9400 -0.9400 3.8027 3.8027 3.8027 3.8027 4.0772 4.0772 4.0772 4.0772 4.2559 4.2559 4.2559 4.2559 4.5529 4.5529 4.5529 4.5529 4.8006 4.8006 4.8006 4.8006 6.2884 6.2884 6.2884 6.2884 7.7762 7.7762 7.7762 7.7762 7.9496 7.9496 7.9496 7.9496 10.1601 10.1601 10.1602 10.1602 11.2475 11.2475 11.2475 11.2475 12.6203 12.6203 k = 0.3125 0.1804 0.2593 ( 5814 PWs) bands (ev): -18.6235 -18.6235 -18.6230 -18.6230 -5.3635 -5.3635 -5.3631 -5.3631 -3.5355 -3.5355 -3.5351 -3.5351 -3.3153 -3.3153 -3.3149 -3.3149 -0.9340 -0.9340 -0.9340 -0.9340 3.8184 3.8184 3.8185 3.8185 4.0817 4.0817 4.0817 4.0817 4.2687 4.2687 4.2687 4.2687 4.5535 4.5535 4.5535 4.5535 4.8039 4.8039 4.8039 4.8039 6.2044 6.2044 6.2044 6.2044 7.7909 7.7909 7.7909 7.7909 7.9095 7.9095 7.9095 7.9095 10.1195 10.1195 10.1197 10.1197 11.2588 11.2588 11.2588 11.2588 12.7149 12.7149 k = 0.3250 0.1876 0.2593 ( 5814 PWs) bands (ev): -18.6227 -18.6227 -18.6223 -18.6223 -5.3662 -5.3662 -5.3658 -5.3658 -3.5386 -3.5386 -3.5383 -3.5383 -3.3181 -3.3181 -3.3177 -3.3177 -0.9283 -0.9283 -0.9283 -0.9283 3.8345 3.8345 3.8345 3.8345 4.0856 4.0856 4.0856 4.0856 4.2821 4.2821 4.2821 4.2821 4.5544 4.5544 4.5544 4.5544 4.8068 4.8068 4.8068 4.8068 6.1225 6.1225 6.1225 6.1225 7.7898 7.7898 7.7898 7.7898 7.8872 7.8872 7.8872 7.8872 10.0825 10.0825 10.0827 10.0827 11.2694 11.2694 11.2695 11.2695 12.8067 12.8068 k = 0.3375 0.1949 0.2593 ( 5818 PWs) bands (ev): -18.6220 -18.6220 -18.6215 -18.6215 -5.3689 -5.3689 -5.3685 -5.3685 -3.5419 -3.5419 -3.5416 -3.5416 -3.3204 -3.3204 -3.3200 -3.3200 -0.9229 -0.9229 -0.9229 -0.9229 3.8508 3.8508 3.8508 3.8508 4.0891 4.0891 4.0891 4.0891 4.2959 4.2959 4.2959 4.2959 4.5556 4.5556 4.5556 4.5556 4.8093 4.8093 4.8093 4.8093 6.0432 6.0432 6.0432 6.0432 7.7657 7.7657 7.7657 7.7657 7.8894 7.8894 7.8894 7.8894 10.0493 10.0493 10.0494 10.0494 11.2792 11.2792 11.2792 11.2792 12.8953 12.8954 k = 0.3500 0.2021 0.2593 ( 5818 PWs) bands (ev): -18.6213 -18.6213 -18.6208 -18.6208 -5.3715 -5.3715 -5.3711 -5.3711 -3.5453 -3.5453 -3.5449 -3.5449 -3.3222 -3.3222 -3.3218 -3.3218 -0.9179 -0.9179 -0.9179 -0.9179 3.8671 3.8671 3.8671 3.8671 4.0921 4.0921 4.0921 4.0921 4.3099 4.3099 4.3100 4.3100 4.5571 4.5571 4.5571 4.5571 4.8113 4.8113 4.8113 4.8113 5.9671 5.9671 5.9671 5.9671 7.7303 7.7303 7.7303 7.7303 7.9042 7.9042 7.9043 7.9043 10.0198 10.0198 10.0199 10.0199 11.2880 11.2880 11.2880 11.2880 12.9818 12.9819 k = 0.3625 0.2093 0.2593 ( 5828 PWs) bands (ev): -18.6206 -18.6206 -18.6202 -18.6202 -5.3740 -5.3740 -5.3736 -5.3736 -3.5487 -3.5487 -3.5483 -3.5483 -3.3236 -3.3236 -3.3232 -3.3232 -0.9131 -0.9131 -0.9131 -0.9131 3.8834 3.8834 3.8834 3.8834 4.0948 4.0948 4.0948 4.0948 4.3240 4.3240 4.3240 4.3240 4.5589 4.5589 4.5589 4.5589 4.8130 4.8130 4.8130 4.8130 5.8944 5.8944 5.8945 5.8945 7.6928 7.6928 7.6928 7.6928 7.9224 7.9224 7.9225 7.9225 9.9939 9.9939 9.9941 9.9941 11.2955 11.2955 11.2956 11.2956 13.0674 13.0675 k = 0.3750 0.2165 0.2593 ( 5824 PWs) bands (ev): -18.6200 -18.6200 -18.6196 -18.6196 -5.3763 -5.3763 -5.3759 -5.3759 -3.5520 -3.5520 -3.5516 -3.5516 -3.3246 -3.3246 -3.3242 -3.3242 -0.9088 -0.9088 -0.9088 -0.9088 3.8994 3.8994 3.8994 3.8994 4.0972 4.0972 4.0972 4.0972 4.3378 4.3378 4.3378 4.3378 4.5611 4.5611 4.5611 4.5611 4.8142 4.8142 4.8142 4.8142 5.8258 5.8258 5.8259 5.8259 7.6562 7.6562 7.6563 7.6563 7.9409 7.9409 7.9409 7.9409 9.9717 9.9717 9.9719 9.9719 11.3019 11.3019 11.3019 11.3019 13.1527 13.1527 k = 0.3875 0.2237 0.2593 ( 5824 PWs) bands (ev): -18.6195 -18.6195 -18.6190 -18.6190 -5.3785 -5.3785 -5.3781 -5.3781 -3.5552 -3.5552 -3.5548 -3.5548 -3.3254 -3.3254 -3.3250 -3.3250 -0.9048 -0.9048 -0.9048 -0.9048 3.9149 3.9149 3.9149 3.9149 4.0994 4.0994 4.0994 4.0994 4.3513 4.3513 4.3513 4.3513 4.5637 4.5637 4.5637 4.5637 4.8150 4.8150 4.8150 4.8150 5.7616 5.7616 5.7617 5.7617 7.6218 7.6218 7.6219 7.6219 7.9584 7.9584 7.9585 7.9585 9.9529 9.9529 9.9531 9.9531 11.3070 11.3070 11.3070 11.3070 13.2372 13.2373 k = 0.4000 0.2309 0.2593 ( 5820 PWs) bands (ev): -18.6189 -18.6189 -18.6185 -18.6185 -5.3805 -5.3805 -5.3801 -5.3801 -3.5582 -3.5582 -3.5579 -3.5579 -3.3259 -3.3259 -3.3255 -3.3255 -0.9012 -0.9012 -0.9012 -0.9012 3.9297 3.9297 3.9297 3.9297 4.1013 4.1013 4.1013 4.1013 4.3642 4.3642 4.3642 4.3642 4.5666 4.5666 4.5666 4.5666 4.8153 4.8153 4.8153 4.8153 5.7023 5.7023 5.7023 5.7023 7.5901 7.5901 7.5902 7.5902 7.9745 7.9745 7.9746 7.9746 9.9373 9.9373 9.9375 9.9375 11.3108 11.3108 11.3109 11.3109 13.3205 13.3206 k = 0.4125 0.2382 0.2593 ( 5824 PWs) bands (ev): -18.6185 -18.6185 -18.6180 -18.6180 -5.3823 -5.3823 -5.3819 -5.3819 -3.5611 -3.5611 -3.5607 -3.5607 -3.3262 -3.3262 -3.3258 -3.3258 -0.8980 -0.8980 -0.8979 -0.8979 3.9435 3.9435 3.9435 3.9435 4.1030 4.1030 4.1030 4.1030 4.3762 4.3762 4.3762 4.3762 4.5697 4.5697 4.5697 4.5697 4.8152 4.8152 4.8152 4.8152 5.6483 5.6483 5.6483 5.6483 7.5615 7.5615 7.5616 7.5616 7.9889 7.9889 7.9890 7.9890 9.9246 9.9246 9.9248 9.9248 11.3136 11.3136 11.3136 11.3136 13.4011 13.4011 k = 0.4250 0.2454 0.2593 ( 5822 PWs) bands (ev): -18.6181 -18.6181 -18.6176 -18.6176 -5.3839 -5.3839 -5.3835 -5.3835 -3.5636 -3.5636 -3.5632 -3.5632 -3.3263 -3.3263 -3.3259 -3.3259 -0.8951 -0.8951 -0.8951 -0.8951 3.9561 3.9561 3.9561 3.9561 4.1046 4.1046 4.1046 4.1046 4.3872 4.3872 4.3872 4.3872 4.5731 4.5731 4.5731 4.5731 4.8148 4.8148 4.8148 4.8148 5.6001 5.6001 5.6001 5.6001 7.5363 7.5363 7.5363 7.5363 8.0015 8.0015 8.0015 8.0015 9.9145 9.9145 9.9146 9.9146 11.3153 11.3153 11.3154 11.3154 13.4761 13.4762 k = 0.4375 0.2526 0.2593 ( 5834 PWs) bands (ev): -18.6177 -18.6177 -18.6173 -18.6173 -5.3853 -5.3853 -5.3849 -5.3849 -3.5658 -3.5658 -3.5654 -3.5654 -3.3264 -3.3264 -3.3260 -3.3260 -0.8928 -0.8928 -0.8927 -0.8927 3.9672 3.9672 3.9672 3.9672 4.1060 4.1060 4.1060 4.1060 4.3969 4.3969 4.3969 4.3969 4.5766 4.5766 4.5766 4.5766 4.8140 4.8140 4.8140 4.8140 5.5581 5.5581 5.5582 5.5582 7.5146 7.5146 7.5146 7.5146 8.0121 8.0121 8.0121 8.0121 9.9067 9.9067 9.9068 9.9068 11.3163 11.3163 11.3164 11.3164 13.5426 13.5427 k = 0.4500 0.2598 0.2593 ( 5836 PWs) bands (ev): -18.6174 -18.6174 -18.6170 -18.6170 -5.3864 -5.3864 -5.3860 -5.3860 -3.5677 -3.5677 -3.5673 -3.5673 -3.3264 -3.3264 -3.3260 -3.3260 -0.8908 -0.8908 -0.8908 -0.8908 3.9766 3.9766 3.9766 3.9766 4.1071 4.1071 4.1071 4.1071 4.4052 4.4052 4.4052 4.4052 4.5800 4.5800 4.5800 4.5800 4.8130 4.8130 4.8130 4.8130 5.5230 5.5230 5.5230 5.5230 7.4966 7.4966 7.4966 7.4966 8.0207 8.0207 8.0207 8.0207 9.9008 9.9008 9.9009 9.9009 11.3167 11.3167 11.3168 11.3168 13.5984 13.5986 k = 0.4625 0.2670 0.2593 ( 5832 PWs) bands (ev): -18.6172 -18.6172 -18.6167 -18.6167 -5.3873 -5.3873 -5.3869 -5.3869 -3.5692 -3.5692 -3.5688 -3.5688 -3.3264 -3.3264 -3.3260 -3.3260 -0.8892 -0.8892 -0.8892 -0.8892 3.9841 3.9841 3.9841 3.9841 4.1081 4.1081 4.1082 4.1082 4.4118 4.4118 4.4118 4.4118 4.5830 4.5830 4.5830 4.5830 4.8120 4.8120 4.8120 4.8120 5.4951 5.4951 5.4951 5.4951 7.4825 7.4825 7.4825 7.4825 8.0274 8.0274 8.0275 8.0275 9.8966 9.8966 9.8967 9.8967 11.3168 11.3168 11.3168 11.3168 13.6433 13.6433 k = 0.4750 0.2742 0.2593 ( 5828 PWs) bands (ev): -18.6170 -18.6170 -18.6166 -18.6166 -5.3880 -5.3880 -5.3876 -5.3876 -3.5702 -3.5702 -3.5698 -3.5698 -3.3263 -3.3263 -3.3259 -3.3259 -0.8881 -0.8881 -0.8881 -0.8881 3.9896 3.9896 3.9896 3.9896 4.1089 4.1089 4.1089 4.1089 4.4166 4.4166 4.4166 4.4166 4.5855 4.5855 4.5855 4.5855 4.8111 4.8111 4.8111 4.8111 5.4748 5.4748 5.4749 5.4749 7.4723 7.4723 7.4724 7.4724 8.0322 8.0322 8.0322 8.0322 9.8937 9.8937 9.8939 9.8939 11.3167 11.3167 11.3167 11.3167 13.6760 13.6761 k = 0.4875 0.2815 0.2593 ( 5836 PWs) bands (ev): -18.6169 -18.6169 -18.6165 -18.6165 -5.3884 -5.3884 -5.3880 -5.3880 -3.5709 -3.5709 -3.5705 -3.5705 -3.3263 -3.3263 -3.3259 -3.3259 -0.8875 -0.8875 -0.8875 -0.8875 3.9929 3.9929 3.9929 3.9929 4.1094 4.1094 4.1094 4.1094 4.4196 4.4196 4.4196 4.4196 4.5871 4.5871 4.5871 4.5871 4.8104 4.8104 4.8105 4.8105 5.4625 5.4625 5.4626 5.4626 7.4662 7.4662 7.4662 7.4662 8.0351 8.0351 8.0351 8.0351 9.8921 9.8921 9.8923 9.8923 11.3165 11.3165 11.3166 11.3166 13.6960 13.6962 k = 0.5000 0.2887 0.2593 ( 5840 PWs) bands (ev): -18.6169 -18.6169 -18.6164 -18.6164 -5.3885 -5.3885 -5.3881 -5.3881 -3.5711 -3.5711 -3.5707 -3.5707 -3.3263 -3.3263 -3.3259 -3.3259 -0.8873 -0.8873 -0.8872 -0.8872 3.9940 3.9940 3.9940 3.9940 4.1095 4.1095 4.1095 4.1095 4.4205 4.4205 4.4205 4.4205 4.5876 4.5876 4.5876 4.5876 4.8102 4.8102 4.8102 4.8102 5.4584 5.4584 5.4584 5.4584 7.4642 7.4642 7.4642 7.4642 8.0360 8.0360 8.0360 8.0360 9.8916 9.8916 9.8918 9.8918 11.3165 11.3165 11.3165 11.3165 13.7028 13.7029 k = 0.5000 0.2887 0.2593 ( 5840 PWs) bands (ev): -18.6169 -18.6169 -18.6164 -18.6164 -5.3885 -5.3885 -5.3881 -5.3881 -3.5711 -3.5711 -3.5707 -3.5707 -3.3263 -3.3263 -3.3259 -3.3259 -0.8873 -0.8873 -0.8872 -0.8872 3.9940 3.9940 3.9940 3.9940 4.1095 4.1095 4.1095 4.1095 4.4205 4.4205 4.4205 4.4205 4.5876 4.5876 4.5876 4.5876 4.8102 4.8102 4.8102 4.8102 5.4584 5.4584 5.4584 5.4584 7.4642 7.4642 7.4642 7.4642 8.0360 8.0360 8.0360 8.0360 9.8916 9.8916 9.8918 9.8918 11.3165 11.3165 11.3165 11.3165 13.7029 13.7030 k = 0.4928 0.3012 0.2593 ( 5840 PWs) bands (ev): -18.6169 -18.6169 -18.6164 -18.6164 -5.3888 -5.3888 -5.3878 -5.3878 -3.5724 -3.5724 -3.5691 -3.5691 -3.3270 -3.3270 -3.3260 -3.3260 -0.8901 -0.8901 -0.8840 -0.8840 3.9912 3.9912 3.9965 3.9965 4.0967 4.0967 4.1232 4.1232 4.4135 4.4135 4.4276 4.4276 4.5833 4.5833 4.5916 4.5916 4.8039 4.8039 4.8179 4.8179 5.4566 5.4566 5.4610 5.4610 7.4585 7.4585 7.4607 7.4607 8.0350 8.0350 8.0375 8.0375 9.8923 9.8923 9.8950 9.8950 11.3192 11.3192 11.3246 11.3246 13.6795 13.6811 k = 0.4855 0.3138 0.2593 ( 5836 PWs) bands (ev): -18.6169 -18.6169 -18.6164 -18.6164 -5.3893 -5.3893 -5.3874 -5.3874 -3.5734 -3.5734 -3.5670 -3.5670 -3.3285 -3.3285 -3.3267 -3.3267 -0.8926 -0.8926 -0.8804 -0.8804 3.9881 3.9881 3.9986 3.9986 4.0848 4.0848 4.1375 4.1375 4.4067 4.4067 4.4345 4.4345 4.5787 4.5787 4.5951 4.5951 4.7989 4.7989 4.8269 4.8269 5.4557 5.4557 5.4644 5.4644 7.4440 7.4440 7.4481 7.4481 8.0346 8.0346 8.0394 8.0394 9.8966 9.8966 9.9021 9.9021 11.3326 11.3326 11.3434 11.3434 13.6281 13.6281 k = 0.4783 0.3263 0.2593 ( 5830 PWs) bands (ev): -18.6168 -18.6168 -18.6164 -18.6164 -5.3899 -5.3899 -5.3870 -5.3870 -3.5742 -3.5742 -3.5644 -3.5644 -3.3307 -3.3307 -3.3282 -3.3282 -0.8947 -0.8947 -0.8765 -0.8765 3.9847 3.9847 4.0001 4.0001 4.0740 4.0740 4.1523 4.1523 4.4002 4.4002 4.4411 4.4411 4.5741 4.5741 4.5980 4.5980 4.7953 4.7953 4.8373 4.8373 5.4556 5.4556 5.4686 5.4686 7.4211 7.4211 7.4268 7.4268 8.0347 8.0347 8.0416 8.0416 9.9045 9.9045 9.9129 9.9129 11.3565 11.3565 11.3725 11.3725 13.5655 13.5655 k = 0.4710 0.3389 0.2593 ( 5818 PWs) bands (ev): -18.6167 -18.6167 -18.6163 -18.6163 -5.3904 -5.3904 -5.3866 -5.3866 -3.5746 -3.5746 -3.5616 -3.5616 -3.3335 -3.3335 -3.3304 -3.3304 -0.8965 -0.8965 -0.8723 -0.8723 3.9812 3.9812 4.0007 4.0007 4.0648 4.0648 4.1675 4.1675 4.3944 4.3944 4.4471 4.4471 4.5695 4.5695 4.6003 4.6003 4.7929 4.7929 4.8489 4.8489 5.4563 5.4563 5.4735 5.4735 7.3907 7.3907 7.3974 7.3974 8.0354 8.0354 8.0439 8.0439 9.9155 9.9155 9.9270 9.9270 11.3903 11.3903 11.4115 11.4115 13.4996 13.4996 k = 0.4638 0.3514 0.2593 ( 5818 PWs) bands (ev): -18.6166 -18.6166 -18.6162 -18.6162 -5.3910 -5.3910 -5.3863 -5.3863 -3.5747 -3.5747 -3.5583 -3.5583 -3.3370 -3.3370 -3.3333 -3.3333 -0.8978 -0.8978 -0.8679 -0.8679 3.9774 3.9774 4.0003 4.0003 4.0572 4.0572 4.1829 4.1829 4.3892 4.3892 4.4524 4.4524 4.5652 4.5652 4.6018 4.6018 4.7918 4.7918 4.8618 4.8618 5.4577 5.4577 5.4790 5.4790 7.3537 7.3537 7.3609 7.3609 8.0364 8.0364 8.0462 8.0462 9.9292 9.9292 9.9441 9.9441 11.4334 11.4334 11.4596 11.4596 13.4334 13.4334 k = 0.4565 0.3640 0.2593 ( 5818 PWs) bands (ev): -18.6165 -18.6165 -18.6161 -18.6161 -5.3916 -5.3916 -5.3860 -5.3860 -3.5745 -3.5745 -3.5548 -3.5548 -3.3410 -3.3410 -3.3370 -3.3370 -0.8988 -0.8988 -0.8633 -0.8633 3.9734 3.9734 3.9985 3.9985 4.0516 4.0516 4.1984 4.1984 4.3849 4.3849 4.4568 4.4568 4.5613 4.5613 4.6027 4.6027 4.7918 4.7918 4.8758 4.8758 5.4600 5.4600 5.4851 5.4851 7.3110 7.3110 7.3182 7.3182 8.0376 8.0376 8.0484 8.0484 9.9452 9.9452 9.9638 9.9638 11.4848 11.4848 11.5159 11.5159 13.3686 13.3686 k = 0.4493 0.3765 0.2593 ( 5822 PWs) bands (ev): -18.6164 -18.6164 -18.6159 -18.6159 -5.3922 -5.3922 -5.3858 -5.3858 -3.5740 -3.5740 -3.5509 -3.5509 -3.3455 -3.3455 -3.3413 -3.3413 -0.8994 -0.8994 -0.8585 -0.8585 3.9693 3.9693 3.9955 3.9955 4.0479 4.0479 4.2139 4.2139 4.3816 4.3816 4.4603 4.4603 4.5580 4.5580 4.6028 4.6028 4.7929 4.7929 4.8908 4.8908 5.4630 5.4630 5.4917 5.4917 7.2638 7.2638 7.2704 7.2704 8.0391 8.0391 8.0505 8.0505 9.9630 9.9630 9.9856 9.9856 11.5435 11.5435 11.5793 11.5793 13.3062 13.3062 k = 0.4420 0.3891 0.2593 ( 5822 PWs) bands (ev): -18.6163 -18.6163 -18.6158 -18.6158 -5.3928 -5.3928 -5.3856 -5.3856 -3.5733 -3.5733 -3.5467 -3.5467 -3.3503 -3.3503 -3.3462 -3.3462 -0.8997 -0.8997 -0.8536 -0.8536 3.9650 3.9650 3.9914 3.9914 4.0459 4.0459 4.2292 4.2292 4.3793 4.3793 4.4626 4.4626 4.5555 4.5555 4.6022 4.6022 4.7949 4.7949 4.9067 4.9067 5.4666 5.4666 5.4987 5.4987 7.2131 7.2131 7.2186 7.2186 8.0406 8.0406 8.0524 8.0524 9.9823 9.9823 10.0091 10.0091 11.6082 11.6082 11.6488 11.6488 13.2468 13.2469 k = 0.4348 0.4016 0.2593 ( 5822 PWs) bands (ev): -18.6161 -18.6161 -18.6156 -18.6156 -5.3934 -5.3934 -5.3854 -5.3854 -3.5723 -3.5723 -3.5421 -3.5421 -3.3555 -3.3555 -3.3516 -3.3516 -0.8997 -0.8997 -0.8487 -0.8487 3.9606 3.9606 3.9869 3.9869 4.0450 4.0450 4.2442 4.2442 4.3782 4.3782 4.4639 4.4639 4.5537 4.5537 4.6010 4.6010 4.7978 4.7978 4.9233 4.9233 5.4708 5.4708 5.5059 5.5059 7.1599 7.1599 7.1639 7.1639 8.0421 8.0421 8.0541 8.0541 10.0026 10.0026 10.0337 10.0337 11.6775 11.6775 11.7228 11.7228 13.1912 13.1912 k = 0.4275 0.4142 0.2593 ( 5818 PWs) bands (ev): -18.6159 -18.6159 -18.6155 -18.6155 -5.3940 -5.3940 -5.3853 -5.3853 -3.5712 -3.5712 -3.5373 -3.5373 -3.3609 -3.3609 -3.3576 -3.3576 -0.8994 -0.8994 -0.8438 -0.8438 3.9561 3.9561 3.9822 3.9822 4.0448 4.0448 4.2588 4.2588 4.3783 4.3783 4.4641 4.4641 4.5527 4.5527 4.5992 4.5992 4.8014 4.8014 4.9406 4.9406 5.4754 5.4754 5.5132 5.5132 7.1054 7.1054 7.1074 7.1074 8.0435 8.0435 8.0556 8.0556 10.0235 10.0235 10.0591 10.0591 11.7500 11.7500 11.8001 11.8001 13.1397 13.1397 k = 0.4203 0.4267 0.2593 ( 5830 PWs) bands (ev): -18.6158 -18.6158 -18.6153 -18.6153 -5.3946 -5.3946 -5.3852 -5.3852 -3.5699 -3.5699 -3.5323 -3.5323 -3.3664 -3.3664 -3.3640 -3.3640 -0.8989 -0.8989 -0.8389 -0.8389 3.9515 3.9515 3.9778 3.9778 4.0450 4.0450 4.2728 4.2728 4.3795 4.3795 4.4634 4.4634 4.5524 4.5524 4.5968 4.5968 4.8055 4.8055 4.9583 4.9583 5.4804 5.4804 5.5205 5.5205 7.0499 7.0499 7.0504 7.0504 8.0448 8.0448 8.0569 8.0569 10.0448 10.0448 10.0849 10.0849 11.8241 11.8241 11.8790 11.8790 13.0929 13.0929 k = 0.4130 0.4393 0.2593 ( 5818 PWs) bands (ev): -18.6156 -18.6156 -18.6151 -18.6151 -5.3952 -5.3952 -5.3852 -5.3852 -3.5685 -3.5685 -3.5270 -3.5270 -3.3719 -3.3719 -3.3707 -3.3707 -0.8983 -0.8983 -0.8342 -0.8342 3.9471 3.9471 3.9740 3.9740 4.0452 4.0452 4.2863 4.2863 4.3817 4.3817 4.4620 4.4620 4.5528 4.5528 4.5941 4.5941 4.8101 4.8101 4.9762 4.9762 5.4856 5.4856 5.5276 5.5276 6.9926 6.9926 6.9959 6.9959 8.0461 8.0461 8.0581 8.0581 10.0660 10.0660 10.1106 10.1106 11.8982 11.8982 11.9582 11.9582 13.0513 13.0513 k = 0.4058 0.4518 0.2593 ( 5816 PWs) bands (ev): -18.6154 -18.6154 -18.6149 -18.6149 -5.3959 -5.3959 -5.3852 -5.3852 -3.5671 -3.5671 -3.5215 -3.5215 -3.3779 -3.3779 -3.3772 -3.3772 -0.8974 -0.8974 -0.8296 -0.8296 3.9427 3.9427 3.9707 3.9707 4.0453 4.0453 4.2991 4.2991 4.3848 4.3848 4.4601 4.4601 4.5536 4.5536 4.5910 4.5910 4.8150 4.8150 4.9940 4.9940 5.4909 5.4909 5.5343 5.5343 6.9363 6.9363 6.9428 6.9428 8.0471 8.0471 8.0590 8.0590 10.0869 10.0869 10.1359 10.1359 11.9708 11.9708 12.0360 12.0360 13.0154 13.0154 k = 0.3986 0.4644 0.2593 ( 5828 PWs) bands (ev): -18.6152 -18.6152 -18.6148 -18.6148 -5.3964 -5.3964 -5.3852 -5.3852 -3.5656 -3.5656 -3.5158 -3.5158 -3.3851 -3.3851 -3.3825 -3.3825 -0.8965 -0.8965 -0.8253 -0.8253 3.9385 3.9385 3.9682 3.9682 4.0452 4.0452 4.3112 4.3112 4.3885 4.3885 4.4579 4.4579 4.5547 4.5547 4.5875 4.5875 4.8200 4.8200 5.0116 5.0116 5.4960 5.4960 5.5404 5.5404 6.8819 6.8819 6.8920 6.8920 8.0481 8.0481 8.0598 8.0598 10.1070 10.1070 10.1602 10.1602 12.0404 12.0404 12.1110 12.1110 12.9855 12.9855 k = 0.3913 0.4769 0.2593 ( 5830 PWs) bands (ev): -18.6151 -18.6151 -18.6146 -18.6146 -5.3970 -5.3970 -5.3853 -5.3853 -3.5642 -3.5642 -3.5100 -3.5100 -3.3924 -3.3924 -3.3875 -3.3875 -0.8955 -0.8955 -0.8213 -0.8213 3.9345 3.9345 3.9664 3.9664 4.0448 4.0448 4.3227 4.3227 4.3925 4.3925 4.4555 4.4555 4.5559 4.5559 4.5839 4.5839 4.8251 4.8251 5.0287 5.0287 5.5008 5.5008 5.5458 5.5458 6.8304 6.8304 6.8443 6.8443 8.0489 8.0489 8.0604 8.0604 10.1260 10.1260 10.1832 10.1832 12.1059 12.1059 12.1821 12.1821 12.9621 12.9621 k = 0.3841 0.4895 0.2593 ( 5826 PWs) bands (ev): -18.6149 -18.6149 -18.6144 -18.6144 -5.3975 -5.3975 -5.3854 -5.3854 -3.5628 -3.5628 -3.5041 -3.5041 -3.3998 -3.3998 -3.3921 -3.3921 -0.8945 -0.8945 -0.8176 -0.8176 3.9309 3.9309 3.9654 3.9654 4.0441 4.0441 4.3338 4.3338 4.3964 4.3964 4.4532 4.4532 4.5572 4.5572 4.5802 4.5802 4.8301 4.8301 5.0451 5.0451 5.5050 5.5050 5.5503 5.5503 6.7825 6.7825 6.8005 6.8005 8.0495 8.0495 8.0609 8.0609 10.1436 10.1436 10.2044 10.2044 12.1662 12.1662 12.2482 12.2482 12.9447 12.9454 k = 0.3768 0.5020 0.2593 ( 5824 PWs) bands (ev): -18.6147 -18.6147 -18.6143 -18.6143 -5.3980 -5.3980 -5.3855 -5.3855 -3.5616 -3.5616 -3.4982 -3.4982 -3.4072 -3.4072 -3.3963 -3.3963 -0.8935 -0.8935 -0.8143 -0.8143 3.9277 3.9277 3.9651 3.9651 4.0431 4.0431 4.3444 4.3444 4.4000 4.4000 4.4510 4.4510 4.5585 4.5585 4.5764 4.5764 4.8348 4.8348 5.0605 5.0605 5.5084 5.5084 5.5537 5.5537 6.7392 6.7392 6.7612 6.7612 8.0501 8.0501 8.0613 8.0613 10.1595 10.1595 10.2236 10.2236 12.2206 12.2206 12.3087 12.3087 12.9332 12.9332 k = 0.3696 0.5146 0.2593 ( 5824 PWs) bands (ev): -18.6146 -18.6146 -18.6141 -18.6141 -5.3985 -5.3985 -5.3856 -5.3856 -3.5605 -3.5605 -3.4923 -3.4923 -3.4143 -3.4143 -3.3999 -3.3999 -0.8926 -0.8926 -0.8115 -0.8115 3.9249 3.9249 3.9655 3.9655 4.0419 4.0419 4.3545 4.3545 4.4028 4.4028 4.4490 4.4490 4.5597 4.5597 4.5729 4.5729 4.8392 4.8392 5.0745 5.0745 5.5108 5.5108 5.5561 5.5561 6.7012 6.7012 6.7272 6.7272 8.0504 8.0504 8.0616 8.0616 10.1733 10.1733 10.2402 10.2402 12.2686 12.2686 12.3632 12.3632 12.9279 12.9279 k = 0.3623 0.5271 0.2593 ( 5820 PWs) bands (ev): -18.6145 -18.6145 -18.6140 -18.6140 -5.3989 -5.3989 -5.3857 -5.3857 -3.5596 -3.5596 -3.4867 -3.4867 -3.4210 -3.4210 -3.4029 -3.4029 -0.8918 -0.8918 -0.8090 -0.8090 3.9226 3.9226 3.9664 3.9664 4.0404 4.0404 4.3642 4.3642 4.4046 4.4046 4.4473 4.4473 4.5608 4.5608 4.5696 4.5696 4.8429 4.8429 5.0869 5.0869 5.5122 5.5122 5.5574 5.5574 6.6693 6.6693 6.6988 6.6988 8.0507 8.0507 8.0618 8.0618 10.1847 10.1847 10.2540 10.2540 12.3099 12.3099 12.4114 12.4114 12.9278 12.9278 k = 0.3551 0.5397 0.2593 ( 5826 PWs) bands (ev): -18.6144 -18.6144 -18.6139 -18.6139 -5.3992 -5.3992 -5.3858 -5.3858 -3.5590 -3.5590 -3.4814 -3.4814 -3.4272 -3.4272 -3.4052 -3.4052 -0.8911 -0.8911 -0.8071 -0.8071 3.9208 3.9208 3.9676 3.9676 4.0388 4.0388 4.3734 4.3734 4.4051 4.4051 4.4460 4.4460 4.5617 4.5617 4.5668 4.5668 4.8460 4.8460 5.0973 5.0973 5.5125 5.5125 5.5578 5.5578 6.6440 6.6440 6.6766 6.6766 8.0509 8.0509 8.0619 8.0619 10.1937 10.1937 10.2648 10.2648 12.3441 12.3441 12.4527 12.4527 12.9315 12.9315 k = 0.3478 0.5522 0.2593 ( 5814 PWs) bands (ev): -18.6143 -18.6143 -18.6139 -18.6139 -5.3994 -5.3994 -5.3859 -5.3859 -3.5585 -3.5585 -3.4769 -3.4769 -3.4324 -3.4324 -3.4069 -3.4069 -0.8906 -0.8906 -0.8057 -0.8057 3.9195 3.9195 3.9690 3.9690 4.0374 4.0374 4.3818 4.3818 4.4040 4.4040 4.4450 4.4450 4.5624 4.5624 4.5646 4.5646 4.8483 4.8483 5.1053 5.1053 5.5120 5.5120 5.5575 5.5575 6.6257 6.6257 6.6607 6.6607 8.0510 8.0510 8.0619 8.0619 10.2001 10.2001 10.2725 10.2725 12.3704 12.3704 12.4859 12.4859 12.9368 12.9368 k = 0.3406 0.5648 0.2593 ( 5802 PWs) bands (ev): -18.6143 -18.6143 -18.6138 -18.6138 -5.3996 -5.3996 -5.3860 -5.3860 -3.5583 -3.5583 -3.4736 -3.4736 -3.4360 -3.4360 -3.4079 -3.4079 -0.8903 -0.8903 -0.8049 -0.8049 3.9188 3.9188 3.9701 3.9701 4.0363 4.0363 4.3891 4.3891 4.4013 4.4013 4.4444 4.4444 4.5629 4.5629 4.5632 4.5632 4.8497 4.8497 5.1105 5.1105 5.5112 5.5112 5.5570 5.5570 6.6148 6.6148 6.6512 6.6512 8.0511 8.0511 8.0620 8.0620 10.2039 10.2039 10.2770 10.2770 12.3875 12.3875 12.5086 12.5086 12.9405 12.9405 k = 0.3333 0.5774 0.2593 ( 5796 PWs) bands (ev): -18.6143 -18.6143 -18.6138 -18.6138 -5.3996 -5.3996 -5.3860 -5.3860 -3.5582 -3.5582 -3.4725 -3.4725 -3.4373 -3.4373 -3.4082 -3.4082 -0.8901 -0.8901 -0.8046 -0.8046 3.9186 3.9186 3.9706 3.9706 4.0359 4.0359 4.3934 4.3934 4.3986 4.3986 4.4442 4.4442 4.5628 4.5628 4.5631 4.5631 4.8502 4.8502 5.1123 5.1123 5.5108 5.5108 5.5567 5.5567 6.6112 6.6112 6.6481 6.6481 8.0511 8.0511 8.0620 8.0620 10.2051 10.2051 10.2785 10.2785 12.3936 12.3936 12.5170 12.5170 12.9412 12.9412 k = 0.3333 0.5774 0.2593 ( 5796 PWs) bands (ev): -18.6143 -18.6143 -18.6138 -18.6138 -5.3996 -5.3996 -5.3860 -5.3860 -3.5582 -3.5582 -3.4725 -3.4725 -3.4373 -3.4373 -3.4082 -3.4082 -0.8901 -0.8901 -0.8046 -0.8046 3.9186 3.9186 3.9706 3.9706 4.0359 4.0359 4.3934 4.3934 4.3986 4.3986 4.4442 4.4442 4.5628 4.5628 4.5631 4.5631 4.8502 4.8502 5.1123 5.1123 5.5108 5.5108 5.5567 5.5567 6.6112 6.6112 6.6481 6.6481 8.0511 8.0511 8.0620 8.0620 10.2051 10.2051 10.2785 10.2785 12.3936 12.3936 12.5170 12.5170 12.9412 12.9412 k = 0.3261 0.5648 0.2593 ( 5804 PWs) bands (ev): -18.6143 -18.6143 -18.6138 -18.6138 -5.3996 -5.3996 -5.3860 -5.3860 -3.5582 -3.5582 -3.4736 -3.4736 -3.4361 -3.4361 -3.4079 -3.4079 -0.8903 -0.8903 -0.8049 -0.8049 3.9188 3.9188 3.9700 3.9700 4.0364 4.0364 4.3888 4.3888 4.4015 4.4015 4.4444 4.4444 4.5629 4.5629 4.5632 4.5632 4.8497 4.8497 5.1103 5.1103 5.5115 5.5115 5.5572 5.5572 6.6147 6.6147 6.6511 6.6511 8.0511 8.0511 8.0620 8.0620 10.2039 10.2039 10.2771 10.2771 12.3871 12.3871 12.5079 12.5079 12.9424 12.9424 k = 0.3188 0.5522 0.2593 ( 5812 PWs) bands (ev): -18.6143 -18.6143 -18.6139 -18.6139 -5.3994 -5.3994 -5.3859 -5.3859 -3.5584 -3.5584 -3.4764 -3.4764 -3.4328 -3.4328 -3.4070 -3.4070 -0.8906 -0.8906 -0.8058 -0.8058 3.9194 3.9194 3.9681 3.9681 4.0380 4.0380 4.3805 4.3805 4.4046 4.4046 4.4450 4.4450 4.5623 4.5623 4.5647 4.5647 4.8484 4.8484 5.1044 5.1044 5.5143 5.5143 5.5592 5.5592 6.6250 6.6250 6.6600 6.6600 8.0511 8.0511 8.0620 8.0620 10.2007 10.2007 10.2732 10.2732 12.3677 12.3677 12.4811 12.4811 12.9493 12.9493 k = 0.3116 0.5397 0.2593 ( 5820 PWs) bands (ev): -18.6144 -18.6144 -18.6140 -18.6140 -5.3991 -5.3991 -5.3857 -5.3857 -3.5586 -3.5586 -3.4801 -3.4801 -3.4284 -3.4284 -3.4055 -3.4055 -0.8913 -0.8913 -0.8072 -0.8072 3.9204 3.9204 3.9647 3.9647 4.0407 4.0407 4.3701 4.3701 4.4060 4.4060 4.4460 4.4460 4.5612 4.5612 4.5669 4.5669 4.8463 4.8463 5.0945 5.0945 5.5200 5.5200 5.5634 5.5634 6.6417 6.6417 6.6742 6.6742 8.0510 8.0510 8.0620 8.0620 10.1957 10.1957 10.2670 10.2670 12.3367 12.3367 12.4401 12.4401 12.9629 12.9629 k = 0.3043 0.5271 0.2593 ( 5822 PWs) bands (ev): -18.6145 -18.6145 -18.6141 -18.6141 -5.3986 -5.3986 -5.3855 -5.3855 -3.5587 -3.5587 -3.4841 -3.4841 -3.4233 -3.4233 -3.4036 -3.4036 -0.8922 -0.8922 -0.8092 -0.8092 3.9216 3.9216 3.9599 3.9599 4.0444 4.0444 4.3580 4.3580 4.4057 4.4057 4.4475 4.4475 4.5596 4.5596 4.5698 4.5698 4.8437 4.8437 5.0807 5.0807 5.5292 5.5292 5.5703 5.5703 6.6641 6.6641 6.6934 6.6934 8.0510 8.0510 8.0620 8.0620 10.1893 10.1893 10.2592 10.2592 12.2963 12.2963 12.3894 12.3894 12.9798 12.9798 k = 0.2971 0.5146 0.2593 ( 5822 PWs) bands (ev): -18.6147 -18.6147 -18.6143 -18.6143 -5.3980 -5.3980 -5.3851 -5.3851 -3.5588 -3.5588 -3.4881 -3.4881 -3.4179 -3.4179 -3.4013 -3.4013 -0.8933 -0.8933 -0.8118 -0.8118 3.9230 3.9230 3.9539 3.9539 4.0488 4.0488 4.3441 4.3441 4.4037 4.4037 4.4494 4.4494 4.5573 4.5573 4.5729 4.5729 4.8408 4.8408 5.0637 5.0637 5.5423 5.5423 5.5805 5.5805 6.6916 6.6916 6.7171 6.7171 8.0510 8.0510 8.0620 8.0620 10.1821 10.1821 10.2501 10.2501 12.2491 12.2491 12.3328 12.3328 12.9935 12.9935 k = 0.2899 0.5020 0.2593 ( 5820 PWs) bands (ev): -18.6149 -18.6149 -18.6145 -18.6145 -5.3972 -5.3972 -5.3846 -5.3846 -3.5587 -3.5587 -3.4920 -3.4920 -3.4124 -3.4124 -3.3986 -3.3986 -0.8948 -0.8948 -0.8149 -0.8149 3.9244 3.9244 3.9469 3.9469 4.0535 4.0535 4.3288 4.3288 4.4000 4.4000 4.4516 4.4516 4.5542 4.5542 4.5760 4.5760 4.8378 4.8378 5.0441 5.0441 5.5596 5.5596 5.5946 5.5946 6.7237 6.7237 6.7448 6.7448 8.0509 8.0509 8.0619 8.0619 10.1744 10.1744 10.2403 10.2403 12.1973 12.1973 12.2728 12.2728 12.9974 12.9974 k = 0.2826 0.4895 0.2593 ( 5818 PWs) bands (ev): -18.6152 -18.6152 -18.6147 -18.6147 -5.3963 -5.3963 -5.3839 -5.3839 -3.5585 -3.5585 -3.4955 -3.4955 -3.4069 -3.4069 -3.3957 -3.3957 -0.8965 -0.8965 -0.8186 -0.8186 3.9257 3.9257 3.9389 3.9389 4.0583 4.0583 4.3121 4.3121 4.3948 4.3948 4.4541 4.4541 4.5502 4.5502 4.5788 4.5788 4.8350 4.8350 5.0226 5.0226 5.5810 5.5810 5.6128 5.6128 6.7596 6.7596 6.7760 6.7760 8.0509 8.0509 8.0619 8.0619 10.1667 10.1667 10.2303 10.2303 12.1426 12.1426 12.2111 12.2111 12.9878 12.9878 k = 0.2754 0.4769 0.2593 ( 5830 PWs) bands (ev): -18.6155 -18.6155 -18.6150 -18.6150 -5.3952 -5.3952 -5.3832 -5.3832 -3.5581 -3.5581 -3.4988 -3.4988 -3.4014 -3.4014 -3.3924 -3.3924 -0.8985 -0.8985 -0.8227 -0.8227 3.9267 3.9267 3.9302 3.9302 4.0629 4.0629 4.2942 4.2942 4.3882 4.3882 4.4568 4.4568 4.5452 4.5452 4.5808 4.5808 4.8325 4.8325 5.0002 5.0002 5.6066 5.6066 5.6355 5.6355 6.7989 6.7989 6.8102 6.8102 8.0508 8.0508 8.0618 8.0618 10.1596 10.1596 10.2206 10.2206 12.0862 12.0862 12.1488 12.1488 12.9641 12.9641 k = 0.2681 0.4644 0.2593 ( 5826 PWs) bands (ev): -18.6158 -18.6158 -18.6154 -18.6154 -5.3939 -5.3939 -5.3823 -5.3823 -3.5574 -3.5574 -3.5016 -3.5016 -3.3959 -3.3959 -3.3890 -3.3890 -0.9007 -0.9007 -0.8274 -0.8274 3.9208 3.9208 3.9273 3.9273 4.0671 4.0671 4.2754 4.2754 4.3806 4.3806 4.4595 4.4595 4.5391 4.5391 4.5820 4.5820 4.8304 4.8304 4.9775 4.9775 5.6364 5.6364 5.6628 5.6628 6.8410 6.8410 6.8471 6.8471 8.0508 8.0508 8.0617 8.0617 10.1536 10.1536 10.2119 10.2119 12.0290 12.0290 12.0865 12.0865 12.9272 12.9272 k = 0.2609 0.4518 0.2593 ( 5826 PWs) bands (ev): -18.6162 -18.6162 -18.6158 -18.6158 -5.3924 -5.3924 -5.3812 -5.3812 -3.5565 -3.5565 -3.5042 -3.5042 -3.3905 -3.3905 -3.3853 -3.3853 -0.9032 -0.9032 -0.8325 -0.8325 3.9108 3.9108 3.9272 3.9272 4.0710 4.0710 4.2561 4.2561 4.3720 4.3720 4.4619 4.4619 4.5320 4.5320 4.5824 4.5824 4.8288 4.8288 4.9553 4.9553 5.6705 5.6705 5.6949 5.6949 6.8854 6.8854 6.8862 6.8862 8.0508 8.0508 8.0616 8.0616 10.1492 10.1492 10.2045 10.2045 11.9717 11.9717 12.0249 12.0249 12.8786 12.8786 k = 0.2536 0.4393 0.2593 ( 5818 PWs) bands (ev): -18.6167 -18.6167 -18.6162 -18.6162 -5.3908 -5.3908 -5.3800 -5.3800 -3.5554 -3.5554 -3.5063 -3.5063 -3.3852 -3.3852 -3.3815 -3.3815 -0.9060 -0.9060 -0.8380 -0.8380 3.9004 3.9004 3.9262 3.9262 4.0742 4.0742 4.2364 4.2364 4.3626 4.3626 4.4633 4.4633 4.5244 4.5244 4.5819 4.5819 4.8277 4.8277 4.9341 4.9341 5.7087 5.7087 5.7318 5.7318 6.9271 6.9271 6.9315 6.9315 8.0508 8.0508 8.0615 8.0615 10.1467 10.1467 10.1990 10.1990 11.9148 11.9148 11.9643 11.9643 12.8184 12.8184 k = 0.2464 0.4267 0.2593 ( 5818 PWs) bands (ev): -18.6172 -18.6172 -18.6167 -18.6167 -5.3889 -5.3889 -5.3786 -5.3786 -3.5541 -3.5541 -3.5081 -3.5081 -3.3799 -3.3799 -3.3775 -3.3775 -0.9090 -0.9090 -0.8439 -0.8439 3.8896 3.8896 3.9242 3.9242 4.0768 4.0768 4.2169 4.2169 4.3526 4.3526 4.4628 4.4628 4.5170 4.5170 4.5806 4.5806 4.8268 4.8268 4.9143 4.9143 5.7512 5.7512 5.7736 5.7736 6.9692 6.9692 6.9789 6.9789 8.0509 8.0509 8.0614 8.0614 10.1467 10.1467 10.1958 10.1958 11.8586 11.8586 11.9048 11.9048 12.7491 12.7491 k = 0.2391 0.4142 0.2593 ( 5836 PWs) bands (ev): -18.6177 -18.6177 -18.6172 -18.6172 -5.3869 -5.3869 -5.3771 -5.3771 -3.5525 -3.5525 -3.5096 -3.5096 -3.3747 -3.3747 -3.3734 -3.3734 -0.9122 -0.9122 -0.8502 -0.8502 3.8785 3.8785 3.9208 3.9208 4.0788 4.0788 4.1977 4.1977 4.3421 4.3421 4.4586 4.4586 4.5116 4.5116 4.5785 4.5785 4.8262 4.8262 4.8963 4.8963 5.7978 5.7978 5.8200 5.8200 7.0124 7.0124 7.0272 7.0272 8.0512 8.0512 8.0614 8.0614 10.1495 10.1495 10.1954 10.1954 11.8035 11.8035 11.8468 11.8468 12.6736 12.6736 k = 0.2319 0.4016 0.2593 ( 5848 PWs) bands (ev): -18.6183 -18.6183 -18.6178 -18.6178 -5.3848 -5.3848 -5.3755 -5.3755 -3.5507 -3.5507 -3.5108 -3.5108 -3.3696 -3.3696 -3.3691 -3.3691 -0.9157 -0.9157 -0.8569 -0.8569 3.8671 3.8671 3.9160 3.9160 4.0801 4.0801 4.1794 4.1794 4.3313 4.3313 4.4496 4.4496 4.5093 4.5093 4.5760 4.5760 4.8256 4.8256 4.8800 4.8800 5.8485 5.8485 5.8710 5.8710 7.0560 7.0560 7.0757 7.0757 8.0519 8.0519 8.0618 8.0618 10.1556 10.1556 10.1981 10.1981 11.7496 11.7496 11.7904 11.7904 12.5934 12.5934 k = 0.2246 0.3891 0.2593 ( 5840 PWs) bands (ev): -18.6189 -18.6189 -18.6184 -18.6184 -5.3825 -5.3825 -5.3737 -5.3737 -3.5487 -3.5487 -3.5117 -3.5117 -3.3648 -3.3648 -3.3642 -3.3642 -0.9195 -0.9195 -0.8639 -0.8639 3.8555 3.8555 3.9095 3.9095 4.0808 4.0808 4.1621 4.1621 4.3204 4.3204 4.4363 4.4363 4.5098 4.5098 4.5732 4.5732 4.8249 4.8249 4.8656 4.8656 5.9032 5.9032 5.9264 5.9264 7.0996 7.0996 7.1240 7.1240 8.0531 8.0531 8.0626 8.0626 10.1651 10.1651 10.2043 10.2043 11.6971 11.6971 11.7357 11.7357 12.5101 12.5101 k = 0.2174 0.3765 0.2593 ( 5836 PWs) bands (ev): -18.6195 -18.6195 -18.6191 -18.6191 -5.3800 -5.3800 -5.3717 -5.3717 -3.5466 -3.5466 -3.5124 -3.5124 -3.3602 -3.3602 -3.3590 -3.3590 -0.9234 -0.9234 -0.8711 -0.8711 3.8437 3.8437 3.9012 3.9012 4.0809 4.0809 4.1462 4.1462 4.3093 4.3093 4.4199 4.4199 4.5122 4.5122 4.5702 4.5702 4.8241 4.8241 4.8530 4.8530 5.9619 5.9619 5.9861 5.9861 7.1428 7.1428 7.1715 7.1715 8.0553 8.0553 8.0642 8.0642 10.1785 10.1785 10.2144 10.2144 11.6461 11.6461 11.6828 11.6828 12.4249 12.4249 k = 0.2101 0.3640 0.2593 ( 5836 PWs) bands (ev): -18.6202 -18.6202 -18.6197 -18.6197 -5.3774 -5.3774 -5.3696 -5.3696 -3.5444 -3.5444 -3.5128 -3.5128 -3.3554 -3.3554 -3.3537 -3.3537 -0.9276 -0.9276 -0.8786 -0.8786 3.8319 3.8319 3.8912 3.8912 4.0805 4.0805 4.1317 4.1317 4.2983 4.2983 4.4013 4.4013 4.5156 4.5156 4.5671 4.5671 4.8229 4.8229 4.8418 4.8418 6.0244 6.0244 6.0498 6.0498 7.1851 7.1851 7.2177 7.2177 8.0587 8.0587 8.0668 8.0668 10.1960 10.1960 10.2284 10.2284 11.5967 11.5967 11.6317 11.6317 12.3387 12.3387 k = 0.2029 0.3514 0.2593 ( 5836 PWs) bands (ev): -18.6209 -18.6209 -18.6205 -18.6205 -5.3747 -5.3747 -5.3674 -5.3674 -3.5420 -3.5420 -3.5131 -3.5131 -3.3504 -3.3504 -3.3482 -3.3482 -0.9320 -0.9320 -0.8864 -0.8864 3.8200 3.8200 3.8795 3.8795 4.0795 4.0795 4.1186 4.1186 4.2874 4.2874 4.3815 4.3815 4.5195 4.5195 4.5640 4.5640 4.8214 4.8214 4.8320 4.8320 6.0905 6.0905 6.1173 6.1173 7.2259 7.2259 7.2619 7.2619 8.0639 8.0639 8.0711 8.0711 10.2176 10.2176 10.2468 10.2468 11.5490 11.5490 11.5826 11.5826 12.2526 12.2526 k = 0.1957 0.3389 0.2593 ( 5836 PWs) bands (ev): -18.6217 -18.6217 -18.6212 -18.6212 -5.3719 -5.3719 -5.3652 -5.3652 -3.5397 -3.5397 -3.5133 -3.5133 -3.3451 -3.3451 -3.3427 -3.3427 -0.9366 -0.9366 -0.8943 -0.8943 3.8081 3.8081 3.8663 3.8663 4.0781 4.0781 4.1070 4.1070 4.2767 4.2767 4.3610 4.3610 4.5236 4.5236 4.5611 4.5611 4.8195 4.8195 4.8233 4.8233 6.1599 6.1599 6.1881 6.1881 7.2646 7.2646 7.3035 7.3035 8.0715 8.0715 8.0774 8.0774 10.2436 10.2436 10.2695 10.2695 11.5031 11.5031 11.5353 11.5353 12.1672 12.1672 k = 0.1884 0.3263 0.2593 ( 5836 PWs) bands (ev): -18.6224 -18.6224 -18.6220 -18.6220 -5.3690 -5.3690 -5.3628 -5.3628 -3.5373 -3.5373 -3.5134 -3.5134 -3.3396 -3.3396 -3.3369 -3.3369 -0.9415 -0.9415 -0.9025 -0.9025 3.7963 3.7963 3.8521 3.8521 4.0763 4.0763 4.0964 4.0964 4.2663 4.2663 4.3403 4.3403 4.5277 4.5277 4.5584 4.5584 4.8155 4.8155 4.8172 4.8172 6.2324 6.2324 6.2619 6.2619 7.3009 7.3009 7.3419 7.3419 8.0821 8.0821 8.0864 8.0864 10.2739 10.2739 10.2967 10.2967 11.4588 11.4588 11.4900 11.4900 12.0833 12.0833 k = 0.1812 0.3138 0.2593 ( 5832 PWs) bands (ev): -18.6232 -18.6232 -18.6228 -18.6228 -5.3660 -5.3660 -5.3603 -5.3603 -3.5350 -3.5350 -3.5134 -3.5134 -3.3339 -3.3339 -3.3309 -3.3309 -0.9465 -0.9465 -0.9108 -0.9108 3.7846 3.7846 3.8369 3.8369 4.0740 4.0740 4.0868 4.0868 4.2563 4.2563 4.3197 4.3197 4.5318 4.5318 4.5561 4.5561 4.8084 4.8084 4.8145 4.8145 6.3076 6.3076 6.3383 6.3383 7.3341 7.3341 7.3765 7.3765 8.0964 8.0964 8.0987 8.0987 10.3087 10.3087 10.3285 10.3285 11.4163 11.4163 11.4464 11.4464 12.0014 12.0014 k = 0.1739 0.3012 0.2593 ( 5832 PWs) bands (ev): -18.6241 -18.6241 -18.6236 -18.6236 -5.3630 -5.3630 -5.3578 -5.3578 -3.5328 -3.5328 -3.5134 -3.5134 -3.3278 -3.3278 -3.3247 -3.3247 -0.9517 -0.9517 -0.9192 -0.9192 3.7730 3.7730 3.8213 3.8213 4.0713 4.0713 4.0779 4.0779 4.2468 4.2468 4.2997 4.2997 4.5358 4.5358 4.5540 4.5540 4.8018 4.8018 4.8113 4.8113 6.3848 6.3848 6.4167 6.4167 7.3642 7.3642 7.4070 7.4070 8.1148 8.1148 8.1150 8.1150 10.3478 10.3478 10.3646 10.3646 11.3754 11.3754 11.4046 11.4046 11.9221 11.9221 k = 0.1667 0.2887 0.2593 ( 5830 PWs) bands (ev): -18.6249 -18.6249 -18.6244 -18.6244 -5.3599 -5.3599 -5.3552 -5.3552 -3.5307 -3.5307 -3.5135 -3.5135 -3.3214 -3.3214 -3.3183 -3.3183 -0.9572 -0.9572 -0.9277 -0.9277 3.7615 3.7615 3.8054 3.8054 4.0681 4.0681 4.0695 4.0695 4.2378 4.2378 4.2805 4.2805 4.5397 4.5397 4.5524 4.5524 4.7956 4.7956 4.8077 4.8077 6.4636 6.4636 6.4964 6.4964 7.3912 7.3912 7.4335 7.4335 8.1352 8.1352 8.1382 8.1382 10.3910 10.3910 10.4050 10.4050 11.3359 11.3359 11.3643 11.3643 11.8460 11.8460 k = 0.1594 0.2761 0.2593 ( 5832 PWs) bands (ev): -18.6257 -18.6257 -18.6253 -18.6253 -5.3569 -5.3569 -5.3526 -5.3526 -3.5288 -3.5288 -3.5135 -3.5135 -3.3147 -3.3147 -3.3116 -3.3116 -0.9628 -0.9628 -0.9363 -0.9363 3.7503 3.7503 3.7895 3.7895 4.0615 4.0615 4.0644 4.0644 4.2293 4.2293 4.2625 4.2625 4.5434 4.5434 4.5512 4.5512 4.7897 4.7897 4.8036 4.8036 6.5431 6.5431 6.5764 6.5764 7.4155 7.4155 7.4566 7.4566 8.1601 8.1601 8.1662 8.1662 10.4382 10.4382 10.4495 10.4495 11.2978 11.2978 11.3253 11.3253 11.7738 11.7738 k = 0.1522 0.2636 0.2593 ( 5830 PWs) bands (ev): -18.6266 -18.6266 -18.6261 -18.6261 -5.3538 -5.3538 -5.3501 -5.3501 -3.5270 -3.5270 -3.5136 -3.5136 -3.3077 -3.3077 -3.3046 -3.3046 -0.9685 -0.9685 -0.9449 -0.9449 3.7393 3.7393 3.7739 3.7739 4.0536 4.0536 4.0601 4.0601 4.2215 4.2215 4.2458 4.2458 4.5469 4.5469 4.5504 4.5504 4.7840 4.7840 4.7992 4.7992 6.6220 6.6220 6.6555 6.6555 7.4383 7.4383 7.4772 7.4772 8.1895 8.1895 8.1990 8.1990 10.4890 10.4890 10.4977 10.4977 11.2606 11.2606 11.2871 11.2871 11.7062 11.7062 k = 0.1449 0.2510 0.2593 ( 5830 PWs) bands (ev): -18.6274 -18.6274 -18.6270 -18.6270 -5.3508 -5.3508 -5.3475 -5.3475 -3.5255 -3.5255 -3.5138 -3.5138 -3.3003 -3.3003 -3.2974 -3.2974 -0.9745 -0.9745 -0.9535 -0.9535 3.7286 3.7286 3.7587 3.7587 4.0459 4.0459 4.0551 4.0551 4.2142 4.2142 4.2306 4.2306 4.5502 4.5502 4.5502 4.5502 4.7785 4.7785 4.7944 4.7944 6.6990 6.6990 6.7319 6.7319 7.4613 7.4613 7.4971 7.4971 8.2232 8.2232 8.2360 8.2360 10.5429 10.5429 10.5491 10.5491 11.2241 11.2241 11.2492 11.2492 11.6440 11.6440 k = 0.1377 0.2385 0.2593 ( 5832 PWs) bands (ev): -18.6283 -18.6283 -18.6278 -18.6278 -5.3479 -5.3479 -5.3449 -5.3449 -3.5241 -3.5241 -3.5140 -3.5140 -3.2927 -3.2927 -3.2899 -3.2899 -0.9805 -0.9805 -0.9621 -0.9621 3.7181 3.7181 3.7440 3.7440 4.0382 4.0382 4.0495 4.0495 4.2075 4.2075 4.2171 4.2171 4.5504 4.5504 4.5534 4.5534 4.7731 4.7731 4.7892 4.7892 6.7721 6.7721 6.8036 6.8036 7.4869 7.4869 7.5187 7.5187 8.2608 8.2608 8.2767 8.2767 10.5991 10.5991 10.6029 10.6029 11.1880 11.1880 11.2112 11.2112 11.5886 11.5886 k = 0.1304 0.2259 0.2593 ( 5844 PWs) bands (ev): -18.6291 -18.6291 -18.6287 -18.6287 -5.3450 -5.3450 -5.3424 -5.3424 -3.5229 -3.5229 -3.5143 -3.5143 -3.2849 -3.2849 -3.2823 -3.2823 -0.9867 -0.9867 -0.9707 -0.9707 3.7080 3.7080 3.7299 3.7299 4.0307 4.0307 4.0432 4.0432 4.2013 4.2013 4.2055 4.2055 4.5511 4.5511 4.5565 4.5565 4.7677 4.7677 4.7838 4.7838 6.8387 6.8387 6.8678 6.8678 7.5181 7.5181 7.5450 7.5450 8.3017 8.3017 8.3205 8.3205 10.6563 10.6563 10.6579 10.6579 11.1521 11.1521 11.1725 11.1725 11.5409 11.5409 k = 0.1232 0.2134 0.2593 ( 5848 PWs) bands (ev): -18.6299 -18.6299 -18.6295 -18.6295 -5.3422 -5.3422 -5.3399 -5.3399 -3.5220 -3.5220 -3.5147 -3.5147 -3.2768 -3.2768 -3.2744 -3.2744 -0.9929 -0.9929 -0.9792 -0.9792 3.6982 3.6982 3.7165 3.7165 4.0232 4.0232 4.0362 4.0362 4.1956 4.1956 4.1957 4.1957 4.5523 4.5523 4.5595 4.5595 4.7624 4.7624 4.7780 4.7780 6.8964 6.8964 6.9219 6.9219 7.5582 7.5582 7.5791 7.5791 8.3454 8.3454 8.3665 8.3665 10.7119 10.7119 10.7126 10.7126 11.1170 11.1170 11.1335 11.1335 11.5025 11.5025 k = 0.1159 0.2008 0.2593 ( 5856 PWs) bands (ev): -18.6308 -18.6308 -18.6303 -18.6303 -5.3395 -5.3395 -5.3376 -5.3376 -3.5213 -3.5213 -3.5151 -3.5151 -3.2687 -3.2687 -3.2665 -3.2665 -0.9992 -0.9992 -0.9875 -0.9875 3.6887 3.6887 3.7038 3.7038 4.0158 4.0158 4.0287 4.0287 4.1875 4.1875 4.1907 4.1907 4.5540 4.5540 4.5624 4.5624 4.7571 4.7571 4.7721 4.7721 6.9426 6.9426 6.9637 6.9637 7.6096 7.6096 7.6238 7.6238 8.3911 8.3911 8.4143 8.4143 10.7613 10.7613 10.7636 10.7636 11.0851 11.0851 11.0965 11.0965 11.4744 11.4744 k = 0.1087 0.1883 0.2593 ( 5848 PWs) bands (ev): -18.6315 -18.6315 -18.6311 -18.6311 -5.3369 -5.3369 -5.3353 -5.3353 -3.5207 -3.5207 -3.5156 -3.5156 -3.2604 -3.2604 -3.2584 -3.2584 -1.0055 -1.0055 -0.9957 -0.9957 3.6797 3.6797 3.6919 3.6919 4.0087 4.0087 4.0209 4.0209 4.1810 4.1810 4.1861 4.1861 4.5562 4.5562 4.5653 4.5653 4.7519 4.7519 4.7659 4.7659 6.9763 6.9763 6.9926 6.9926 7.6734 7.6734 7.6809 7.6809 8.4382 8.4382 8.4629 8.4629 10.7981 10.7981 10.8011 10.8011 11.0631 11.0631 11.0677 11.0677 11.4574 11.4574 k = 0.1014 0.1757 0.2593 ( 5860 PWs) bands (ev): -18.6323 -18.6323 -18.6318 -18.6318 -5.3344 -5.3344 -5.3331 -5.3331 -3.5203 -3.5203 -3.5162 -3.5162 -3.2521 -3.2521 -3.2504 -3.2504 -1.0118 -1.0118 -1.0036 -1.0036 3.6710 3.6710 3.6807 3.6807 4.0017 4.0017 4.0128 4.0128 4.1759 4.1759 4.1821 4.1821 4.5589 4.5589 4.5682 4.5682 4.7466 4.7466 4.7595 4.7595 6.9978 6.9978 7.0097 7.0097 7.7488 7.7488 7.7502 7.7502 8.4861 8.4861 8.5118 8.5118 10.8096 10.8096 10.8117 10.8117 11.0585 11.0585 11.0624 11.0624 11.4514 11.4514 k = 0.0942 0.1632 0.2593 ( 5864 PWs) bands (ev): -18.6330 -18.6330 -18.6326 -18.6326 -5.3321 -5.3321 -5.3310 -5.3310 -3.5201 -3.5201 -3.5168 -3.5168 -3.2439 -3.2439 -3.2425 -3.2425 -1.0179 -1.0179 -1.0113 -1.0113 3.6627 3.6627 3.6704 3.6704 3.9949 3.9949 4.0047 4.0047 4.1720 4.1720 4.1785 4.1785 4.5621 4.5621 4.5712 4.5712 4.7413 4.7413 4.7530 4.7530 7.0088 7.0088 7.0171 7.0171 7.8305 7.8305 7.8341 7.8341 8.5341 8.5341 8.5605 8.5605 10.7883 10.7883 10.7900 10.7900 11.0748 11.0748 11.0867 11.0867 11.4507 11.4507 k = 0.0870 0.1506 0.2593 ( 5852 PWs) bands (ev): -18.6337 -18.6337 -18.6333 -18.6333 -5.3299 -5.3299 -5.3290 -5.3290 -3.5200 -3.5200 -3.5174 -3.5174 -3.2359 -3.2359 -3.2346 -3.2346 -1.0240 -1.0240 -1.0187 -1.0187 3.6550 3.6550 3.6608 3.6608 3.9885 3.9885 3.9969 3.9969 4.1691 4.1691 4.1753 4.1753 4.5657 4.5657 4.5743 4.5743 4.7361 4.7361 4.7465 4.7465 7.0116 7.0116 7.0172 7.0172 7.9196 7.9196 7.9270 7.9270 8.5817 8.5817 8.6082 8.6082 10.7423 10.7423 10.7449 10.7449 11.1075 11.1075 11.1252 11.1252 11.4627 11.4627 k = 0.0797 0.1381 0.2593 ( 5852 PWs) bands (ev): -18.6344 -18.6344 -18.6339 -18.6339 -5.3279 -5.3279 -5.3271 -5.3271 -3.5200 -3.5200 -3.5180 -3.5180 -3.2281 -3.2281 -3.2270 -3.2270 -1.0298 -1.0298 -1.0257 -1.0257 3.6477 3.6477 3.6521 3.6521 3.9824 3.9824 3.9893 3.9893 4.1669 4.1669 4.1726 4.1726 4.5696 4.5696 4.5775 4.5775 4.7308 4.7308 4.7399 4.7399 7.0083 7.0083 7.0120 7.0120 8.0154 8.0154 8.0255 8.0255 8.6283 8.6283 8.6544 8.6544 10.6822 10.6822 10.6859 10.6859 11.1454 11.1454 11.1667 11.1667 11.4878 11.4878 k = 0.0725 0.1255 0.2593 ( 5848 PWs) bands (ev): -18.6350 -18.6350 -18.6345 -18.6345 -5.3261 -5.3261 -5.3254 -5.3254 -3.5202 -3.5202 -3.5186 -3.5186 -3.2206 -3.2206 -3.2197 -3.2197 -1.0355 -1.0355 -1.0323 -1.0323 3.6409 3.6409 3.6441 3.6441 3.9767 3.9767 3.9821 3.9821 4.1654 4.1654 4.1702 4.1702 4.5738 4.5738 4.5808 4.5808 4.7257 4.7257 4.7333 4.7333 7.0010 7.0010 7.0033 7.0033 8.1158 8.1158 8.1278 8.1278 8.6733 8.6733 8.6987 8.6987 10.6136 10.6136 10.6183 10.6183 11.1835 11.1835 11.2062 11.2062 11.5247 11.5247 k = 0.0652 0.1130 0.2593 ( 5832 PWs) bands (ev): -18.6356 -18.6356 -18.6351 -18.6351 -5.3244 -5.3244 -5.3239 -5.3239 -3.5203 -3.5203 -3.5192 -3.5192 -3.2135 -3.2135 -3.2128 -3.2128 -1.0408 -1.0408 -1.0385 -1.0385 3.6347 3.6347 3.6370 3.6370 3.9715 3.9715 3.9756 3.9756 4.1643 4.1643 4.1683 4.1683 4.5783 4.5783 4.5842 4.5842 4.7206 4.7206 4.7269 4.7269 6.9911 6.9911 6.9925 6.9925 8.2192 8.2192 8.2323 8.2323 8.7163 8.7163 8.7404 8.7404 10.5395 10.5395 10.5446 10.5446 11.2204 11.2204 11.2426 11.2426 11.5706 11.5706 k = 0.0580 0.1004 0.2593 ( 5828 PWs) bands (ev): -18.6361 -18.6361 -18.6356 -18.6356 -5.3229 -5.3229 -5.3224 -5.3224 -3.5206 -3.5206 -3.5197 -3.5197 -3.2069 -3.2069 -3.2063 -3.2063 -1.0458 -1.0458 -1.0441 -1.0441 3.6290 3.6290 3.6305 3.6305 3.9666 3.9666 3.9696 3.9696 4.1636 4.1636 4.1666 4.1666 4.5830 4.5830 4.5877 4.5877 4.7155 4.7155 4.7205 4.7205 6.9798 6.9798 6.9806 6.9806 8.3240 8.3240 8.3375 8.3375 8.7566 8.7566 8.7791 8.7791 10.4615 10.4615 10.4666 10.4666 11.2567 11.2567 11.2768 11.2768 11.6210 11.6210 k = 0.0507 0.0879 0.2593 ( 5832 PWs) bands (ev): -18.6366 -18.6366 -18.6361 -18.6361 -5.3216 -5.3216 -5.3211 -5.3211 -3.5209 -3.5209 -3.5202 -3.5202 -3.2009 -3.2009 -3.2004 -3.2004 -1.0503 -1.0503 -1.0492 -1.0492 3.6239 3.6239 3.6249 3.6249 3.9622 3.9622 3.9643 3.9643 4.1630 4.1630 4.1652 4.1652 4.5877 4.5877 4.5913 4.5913 4.7106 4.7106 4.7143 4.7143 6.9681 6.9681 6.9686 6.9686 8.4285 8.4285 8.4420 8.4420 8.7938 8.7938 8.8143 8.8143 10.3812 10.3812 10.3858 10.3858 11.2930 11.2930 11.3102 11.3102 11.6715 11.6715 k = 0.0435 0.0753 0.2593 ( 5836 PWs) bands (ev): -18.6370 -18.6370 -18.6365 -18.6365 -5.3205 -5.3205 -5.3200 -5.3200 -3.5212 -3.5212 -3.5207 -3.5207 -3.1955 -3.1955 -3.1951 -3.1951 -1.0544 -1.0544 -1.0537 -1.0537 3.6194 3.6194 3.6200 3.6200 3.9584 3.9584 3.9597 3.9597 4.1627 4.1627 4.1641 4.1641 4.5923 4.5923 4.5949 4.5949 4.7059 4.7059 4.7085 4.7085 6.9568 6.9568 6.9570 6.9570 8.5309 8.5309 8.5438 8.5438 8.8276 8.8276 8.8458 8.8458 10.3000 10.3000 10.3039 10.3039 11.3298 11.3298 11.3436 11.3436 11.7176 11.7176 k = 0.0362 0.0628 0.2593 ( 5830 PWs) bands (ev): -18.6373 -18.6373 -18.6369 -18.6369 -5.3195 -5.3195 -5.3191 -5.3191 -3.5214 -3.5214 -3.5210 -3.5210 -3.1909 -3.1909 -3.1904 -3.1904 -1.0580 -1.0580 -1.0576 -1.0576 3.6155 3.6155 3.6159 3.6159 3.9551 3.9551 3.9558 3.9558 4.1624 4.1624 4.1633 4.1633 4.5967 4.5967 4.5984 4.5984 4.7014 4.7014 4.7032 4.7032 6.9463 6.9463 6.9464 6.9464 8.6289 8.6289 8.6408 8.6408 8.8577 8.8577 8.8732 8.8732 10.2200 10.2200 10.2229 10.2229 11.3668 11.3668 11.3771 11.3771 11.7557 11.7557 k = 0.0290 0.0502 0.2593 ( 5830 PWs) bands (ev): -18.6376 -18.6376 -18.6371 -18.6371 -5.3187 -5.3187 -5.3183 -5.3183 -3.5217 -3.5217 -3.5213 -3.5213 -3.1870 -3.1870 -3.1866 -3.1866 -1.0610 -1.0610 -1.0608 -1.0608 3.6123 3.6123 3.6125 3.6125 3.9523 3.9523 3.9527 3.9527 4.1622 4.1622 4.1627 4.1627 4.6007 4.6007 4.6017 4.6017 4.6974 4.6974 4.6984 4.6984 6.9372 6.9372 6.9372 6.9372 8.7195 8.7195 8.7297 8.7297 8.8840 8.8840 8.8964 8.8964 10.1438 10.1438 10.1457 10.1457 11.4031 11.4031 11.4099 11.4099 11.7833 11.7833 k = 0.0217 0.0377 0.2593 ( 5814 PWs) bands (ev): -18.6378 -18.6378 -18.6374 -18.6374 -5.3181 -5.3181 -5.3177 -5.3177 -3.5219 -3.5219 -3.5216 -3.5216 -3.1839 -3.1839 -3.1835 -3.1835 -1.0634 -1.0634 -1.0633 -1.0633 3.6099 3.6099 3.6099 3.6099 3.9501 3.9501 3.9503 3.9503 4.1621 4.1621 4.1623 4.1623 4.6042 4.6042 4.6047 4.6047 4.6939 4.6939 4.6944 4.6944 6.9297 6.9297 6.9298 6.9298 8.7981 8.7981 8.8058 8.8058 8.9071 8.9071 8.9160 8.9160 10.0753 10.0753 10.0763 10.0763 11.4367 11.4367 11.4404 11.4404 11.7998 11.7998 k = 0.0145 0.0251 0.2593 ( 5818 PWs) bands (ev): -18.6380 -18.6380 -18.6375 -18.6375 -5.3177 -5.3177 -5.3172 -5.3172 -3.5221 -3.5221 -3.5217 -3.5217 -3.1817 -3.1817 -3.1812 -3.1812 -1.0651 -1.0651 -1.0651 -1.0651 3.6081 3.6081 3.6081 3.6081 3.9485 3.9485 3.9486 3.9486 4.1619 4.1619 4.1620 4.1620 4.6069 4.6069 4.6070 4.6070 4.6912 4.6912 4.6914 4.6914 6.9242 6.9242 6.9243 6.9243 8.8580 8.8580 8.8620 8.8620 8.9289 8.9289 8.9333 8.9333 10.0194 10.0194 10.0197 10.0197 11.4647 11.4647 11.4661 11.4661 11.8066 11.8066 k = 0.0072 0.0126 0.2593 ( 5816 PWs) bands (ev): -18.6381 -18.6381 -18.6376 -18.6376 -5.3174 -5.3174 -5.3170 -5.3170 -3.5222 -3.5222 -3.5218 -3.5218 -3.1803 -3.1803 -3.1799 -3.1799 -1.0662 -1.0662 -1.0661 -1.0661 3.6070 3.6070 3.6070 3.6070 3.9476 3.9476 3.9476 3.9476 4.1618 4.1618 4.1619 4.1619 4.6085 4.6085 4.6085 4.6085 4.6894 4.6894 4.6895 4.6895 6.9208 6.9208 6.9209 6.9209 8.8917 8.8917 8.8924 8.8924 8.9490 8.9490 8.9497 8.9497 9.9821 9.9821 9.9821 9.9821 11.4835 11.4835 11.4838 11.4838 11.8072 11.8072 k = 0.0000 0.0000 0.2593 ( 5808 PWs) bands (ev): -18.6381 -18.6381 -18.6377 -18.6377 -5.3173 -5.3173 -5.3169 -5.3169 -3.5222 -3.5222 -3.5219 -3.5219 -3.1799 -3.1799 -3.1794 -3.1794 -1.0665 -1.0665 -1.0665 -1.0665 3.6066 3.6066 3.6066 3.6066 3.9473 3.9473 3.9473 3.9473 4.1618 4.1618 4.1618 4.1618 4.6091 4.6091 4.6091 4.6091 4.6888 4.6888 4.6888 4.6888 6.9197 6.9197 6.9198 6.9198 8.9011 8.9011 8.9012 8.9012 8.9577 8.9577 8.9578 8.9578 9.9689 9.9689 9.9689 9.9689 11.4901 11.4901 11.4902 11.4902 11.8062 11.8062 k = 0.5000 0.2887 0.2593 ( 5840 PWs) bands (ev): -18.6169 -18.6169 -18.6164 -18.6164 -5.3885 -5.3885 -5.3881 -5.3881 -3.5711 -3.5711 -3.5707 -3.5707 -3.3263 -3.3263 -3.3259 -3.3259 -0.8873 -0.8873 -0.8872 -0.8872 3.9940 3.9940 3.9940 3.9940 4.1095 4.1095 4.1095 4.1095 4.4205 4.4205 4.4205 4.4205 4.5876 4.5876 4.5876 4.5876 4.8102 4.8102 4.8102 4.8102 5.4584 5.4584 5.4584 5.4584 7.4642 7.4642 7.4642 7.4642 8.0360 8.0360 8.0360 8.0360 9.8916 9.8916 9.8918 9.8918 11.3165 11.3165 11.3165 11.3165 13.7029 13.7030 k = 0.5000 0.2887 0.2449 ( 5844 PWs) bands (ev): -18.6174 -18.6174 -18.6159 -18.6159 -5.3895 -5.3895 -5.3871 -5.3871 -3.5752 -3.5752 -3.5669 -3.5669 -3.3311 -3.3311 -3.3206 -3.3206 -0.9088 -0.9088 -0.8658 -0.8658 3.9891 3.9891 3.9989 3.9989 4.1062 4.1062 4.1127 4.1127 4.4103 4.4103 4.4306 4.4306 4.5833 4.5833 4.5919 4.5919 4.8011 4.8011 4.8191 4.8191 5.4226 5.4226 5.4956 5.4956 7.4270 7.4270 7.5018 7.5018 8.0079 8.0079 8.0630 8.0630 9.8878 9.8878 9.8905 9.8905 11.3174 11.3174 11.3271 11.3271 13.6572 13.6572 k = 0.5000 0.2887 0.2305 ( 5848 PWs) bands (ev): -18.6181 -18.6181 -18.6152 -18.6152 -5.3908 -5.3908 -5.3860 -5.3860 -3.5797 -3.5797 -3.5632 -3.5632 -3.3354 -3.3354 -3.3146 -3.3146 -0.9302 -0.9302 -0.8445 -0.8445 3.9841 3.9841 4.0035 4.0035 4.1027 4.1027 4.1157 4.1157 4.4001 4.4001 4.4405 4.4405 4.5790 4.5790 4.5962 4.5962 4.7917 4.7917 4.8277 4.8277 5.3884 5.3884 5.5339 5.5339 7.3906 7.3906 7.5395 7.5395 7.9790 7.9790 8.0888 8.0888 9.8789 9.8789 9.8844 9.8844 11.3298 11.3298 11.3487 11.3487 13.6118 13.6118 k = 0.5000 0.2887 0.2161 ( 5844 PWs) bands (ev): -18.6188 -18.6188 -18.6145 -18.6145 -5.3921 -5.3921 -5.3850 -5.3850 -3.5843 -3.5843 -3.5599 -3.5599 -3.3392 -3.3392 -3.3083 -3.3083 -0.9514 -0.9514 -0.8236 -0.8236 3.9791 3.9791 4.0081 4.0081 4.0991 4.0991 4.1185 4.1185 4.3899 4.3899 4.4503 4.4503 4.5748 4.5748 4.6005 4.6005 4.7822 4.7822 4.8359 4.8359 5.3560 5.3560 5.5730 5.5730 7.3550 7.3550 7.5772 7.5772 7.9493 7.9493 8.1132 8.1132 9.8654 9.8654 9.8739 9.8739 11.3535 11.3535 11.3805 11.3805 13.5667 13.5667 k = 0.5000 0.2887 0.2017 ( 5838 PWs) bands (ev): -18.6195 -18.6195 -18.6138 -18.6138 -5.3934 -5.3934 -5.3840 -5.3840 -3.5889 -3.5889 -3.5570 -3.5570 -3.3422 -3.3422 -3.3017 -3.3017 -0.9722 -0.9722 -0.8032 -0.8032 3.9740 3.9740 4.0124 4.0124 4.0955 4.0955 4.1212 4.1212 4.3798 4.3798 4.4597 4.4597 4.5708 4.5708 4.6047 4.6047 4.7726 4.7726 4.8437 4.8437 5.3256 5.3256 5.6127 5.6127 7.3207 7.3207 7.6144 7.6144 7.9192 7.9192 8.1361 8.1361 9.8480 9.8480 9.8600 9.8600 11.3876 11.3876 11.4213 11.4213 13.5222 13.5222 k = 0.5000 0.2887 0.1873 ( 5838 PWs) bands (ev): -18.6202 -18.6202 -18.6132 -18.6132 -5.3948 -5.3948 -5.3832 -5.3832 -3.5935 -3.5935 -3.5546 -3.5546 -3.3445 -3.3445 -3.2950 -3.2950 -0.9924 -0.9924 -0.7835 -0.7835 3.9691 3.9691 4.0166 4.0166 4.0916 4.0916 4.1237 4.1237 4.3699 4.3699 4.4690 4.4690 4.5668 4.5668 4.6088 4.6088 4.7630 4.7630 4.8511 4.8511 5.2972 5.2972 5.6525 5.6525 7.2878 7.2878 7.6508 7.6508 7.8889 7.8889 8.1576 8.1576 9.8275 9.8275 9.8433 9.8433 11.4309 11.4309 11.4702 11.4702 13.4780 13.4780 k = 0.5000 0.2887 0.1728 ( 5838 PWs) bands (ev): -18.6208 -18.6208 -18.6125 -18.6125 -5.3961 -5.3961 -5.3824 -5.3824 -3.5981 -3.5981 -3.5527 -3.5527 -3.3462 -3.3462 -3.2882 -3.2882 -1.0118 -1.0118 -0.7646 -0.7646 3.9641 3.9641 4.0205 4.0205 4.0877 4.0877 4.1260 4.1260 4.3603 4.3603 4.4779 4.4779 4.5629 4.5629 4.6128 4.6128 4.7534 4.7534 4.8580 4.8580 5.2710 5.2710 5.6921 5.6921 7.2564 7.2564 7.6861 7.6861 7.8588 7.8588 8.1775 8.1775 9.8047 9.8047 9.8249 9.8249 11.4818 11.4818 11.5263 11.5263 13.4340 13.4340 k = 0.5000 0.2887 0.1584 ( 5834 PWs) bands (ev): -18.6214 -18.6214 -18.6119 -18.6119 -5.3974 -5.3974 -5.3817 -5.3817 -3.6024 -3.6024 -3.5511 -3.5511 -3.3473 -3.3473 -3.2814 -3.2814 -1.0304 -1.0304 -0.7467 -0.7467 3.9593 3.9593 4.0243 4.0243 4.0837 4.0837 4.1282 4.1282 4.3510 4.3510 4.4865 4.4865 4.5592 4.5592 4.6167 4.6167 4.7440 4.7440 4.8645 4.8645 5.2470 5.2470 5.7311 5.7311 7.2268 7.2268 7.7195 7.7195 7.8296 7.8296 8.1957 8.1957 9.7807 9.7807 9.8056 9.8056 11.5383 11.5383 11.5890 11.5890 13.3897 13.3897 k = 0.5000 0.2887 0.1440 ( 5828 PWs) bands (ev): -18.6220 -18.6220 -18.6113 -18.6113 -5.3987 -5.3987 -5.3810 -5.3810 -3.6066 -3.6066 -3.5500 -3.5500 -3.3478 -3.3478 -3.2748 -3.2748 -1.0479 -1.0479 -0.7298 -0.7298 3.9547 3.9547 4.0277 4.0277 4.0798 4.0798 4.1302 4.1302 4.3422 4.3422 4.4947 4.4947 4.5557 4.5557 4.6204 4.6204 4.7347 4.7347 4.8704 4.8704 5.2252 5.2252 5.7690 5.7690 7.1992 7.1992 7.7491 7.7491 7.8034 7.8034 8.2124 8.2124 9.7562 9.7562 9.7860 9.7860 11.5980 11.5980 11.6581 11.6581 13.3445 13.3445 k = 0.5000 0.2887 0.1296 ( 5826 PWs) bands (ev): -18.6225 -18.6225 -18.6108 -18.6108 -5.3999 -5.3999 -5.3805 -5.3805 -3.6105 -3.6105 -3.5493 -3.5493 -3.3478 -3.3478 -3.2685 -3.2685 -1.0642 -1.0642 -0.7141 -0.7141 3.9503 3.9503 4.0309 4.0309 4.0759 4.0759 4.1320 4.1320 4.3339 4.3339 4.5025 4.5025 4.5525 4.5525 4.6240 4.6240 4.7258 4.7258 4.8759 4.8759 5.2056 5.2056 5.8054 5.8054 7.1737 7.1737 7.7588 7.7588 7.7962 7.7962 8.2274 8.2274 9.7320 9.7320 9.7668 9.7668 11.6585 11.6585 11.7332 11.7332 13.2976 13.2976 k = 0.5000 0.2887 0.1152 ( 5822 PWs) bands (ev): -18.6230 -18.6230 -18.6103 -18.6103 -5.4011 -5.4011 -5.3800 -5.3800 -3.6141 -3.6141 -3.5489 -3.5489 -3.3474 -3.3474 -3.2625 -3.2625 -1.0793 -1.0793 -0.6998 -0.6998 3.9461 3.9461 4.0339 4.0339 4.0721 4.0721 4.1336 4.1336 4.3263 4.3263 4.5097 4.5097 4.5496 4.5496 4.6274 4.6274 4.7173 4.7173 4.8808 4.8808 5.1881 5.1881 5.8398 5.8398 7.1504 7.1504 7.7385 7.7385 7.8181 7.8181 8.2408 8.2408 9.7089 9.7089 9.7485 9.7485 11.7179 11.7179 11.8139 11.8139 13.2480 13.2480 k = 0.5000 0.2887 0.1008 ( 5832 PWs) bands (ev): -18.6235 -18.6235 -18.6099 -18.6099 -5.4021 -5.4021 -5.3796 -5.3796 -3.6174 -3.6174 -3.5487 -3.5487 -3.3468 -3.3468 -3.2570 -3.2570 -1.0929 -1.0929 -0.6868 -0.6868 3.9422 3.9422 4.0365 4.0365 4.0685 4.0685 4.1351 4.1351 4.3194 4.3194 4.5163 4.5163 4.5471 4.5471 4.6305 4.6305 4.7092 4.7092 4.8852 4.8852 5.1729 5.1729 5.8717 5.8717 7.1296 7.1296 7.7148 7.7148 7.8427 7.8427 8.2526 8.2526 9.6873 9.6873 9.7315 9.7315 11.7745 11.7745 11.8991 11.8991 13.1945 13.1945 k = 0.5000 0.2887 0.0864 ( 5812 PWs) bands (ev): -18.6238 -18.6238 -18.6095 -18.6095 -5.4031 -5.4031 -5.3792 -5.3792 -3.6203 -3.6203 -3.5487 -3.5487 -3.3461 -3.3461 -3.2520 -3.2520 -1.1049 -1.1049 -0.6754 -0.6754 3.9388 3.9388 4.0390 4.0390 4.0651 4.0651 4.1363 4.1363 4.3134 4.3134 4.5222 4.5222 4.5451 4.5451 4.6335 4.6335 4.7017 4.7017 4.8891 4.8891 5.1598 5.1598 5.9007 5.9007 7.1113 7.1113 7.6925 7.6925 7.8654 7.8654 8.2627 8.2627 9.6677 9.6677 9.7161 9.7161 11.8269 11.8269 11.9879 11.9879 13.1359 13.1359 k = 0.5000 0.2887 0.0720 ( 5798 PWs) bands (ev): -18.6242 -18.6242 -18.6092 -18.6092 -5.4039 -5.4039 -5.3789 -5.3789 -3.6228 -3.6228 -3.5488 -3.5488 -3.3452 -3.3452 -3.2477 -3.2477 -1.1153 -1.1153 -0.6656 -0.6656 3.9358 3.9358 4.0411 4.0411 4.0620 4.0620 4.1374 4.1374 4.3082 4.3082 4.5272 4.5272 4.5437 4.5437 4.6363 4.6363 4.6949 4.6949 4.8923 4.8923 5.1488 5.1488 5.9263 5.9263 7.0956 7.0956 7.6726 7.6726 7.8853 7.8853 8.2713 8.2713 9.6506 9.6506 9.7027 9.7027 11.8738 11.8738 12.0788 12.0788 13.0719 13.0719 k = 0.5000 0.2887 0.0576 ( 5804 PWs) bands (ev): -18.6245 -18.6245 -18.6089 -18.6089 -5.4046 -5.4046 -5.3787 -5.3787 -3.6248 -3.6248 -3.5490 -3.5490 -3.3444 -3.3444 -3.2440 -3.2440 -1.1239 -1.1239 -0.6575 -0.6575 3.9332 3.9332 4.0430 4.0430 4.0591 4.0591 4.1383 4.1383 4.3038 4.3038 4.5306 4.5306 4.5432 4.5432 4.6387 4.6387 4.6888 4.6888 4.8951 4.8951 5.1399 5.1399 5.9479 5.9479 7.0827 7.0827 7.6556 7.6556 7.9020 7.9020 8.2783 8.2783 9.6362 9.6362 9.6915 9.6915 11.9142 11.9142 12.1701 12.1701 13.0028 13.0028 k = 0.5000 0.2887 0.0432 ( 5810 PWs) bands (ev): -18.6247 -18.6247 -18.6087 -18.6087 -5.4051 -5.4051 -5.3785 -5.3785 -3.6265 -3.6265 -3.5491 -3.5491 -3.3437 -3.3437 -3.2411 -3.2411 -1.1307 -1.1307 -0.6511 -0.6511 3.9312 3.9312 4.0447 4.0447 4.0567 4.0567 4.1390 4.1390 4.3004 4.3004 4.5325 4.5325 4.5439 4.5439 4.6409 4.6409 4.6837 4.6837 4.8971 4.8971 5.1330 5.1330 5.9652 5.9652 7.0726 7.0726 7.6419 7.6419 7.9152 7.9152 8.2837 8.2837 9.6248 9.6248 9.6826 9.6826 11.9467 11.9467 12.2593 12.2593 12.9308 12.9308 k = 0.5000 0.2887 0.0288 ( 5802 PWs) bands (ev): -18.6248 -18.6248 -18.6085 -18.6085 -5.4055 -5.4055 -5.3784 -5.3784 -3.6276 -3.6276 -3.5493 -3.5493 -3.3432 -3.3432 -3.2390 -3.2390 -1.1356 -1.1356 -0.6465 -0.6465 3.9296 3.9296 4.0461 4.0461 4.0547 4.0547 4.1395 4.1395 4.2980 4.2980 4.5331 4.5331 4.5452 4.5452 4.6427 4.6427 4.6797 4.6797 4.8987 4.8987 5.1280 5.1280 5.9779 5.9779 7.0653 7.0653 7.6318 7.6318 7.9248 7.9248 8.2875 8.2875 9.6165 9.6165 9.6761 9.6761 11.9707 11.9707 12.3417 12.3417 12.8604 12.8604 k = 0.5000 0.2887 0.0144 ( 5794 PWs) bands (ev): -18.6249 -18.6249 -18.6084 -18.6084 -5.4058 -5.4058 -5.3783 -5.3783 -3.6283 -3.6283 -3.5494 -3.5494 -3.3428 -3.3428 -3.2377 -3.2377 -1.1385 -1.1385 -0.6438 -0.6438 3.9287 3.9287 4.0472 4.0472 4.0532 4.0532 4.1398 4.1398 4.2965 4.2965 4.5331 4.5331 4.5464 4.5464 4.6439 4.6439 4.6772 4.6772 4.8996 4.8996 5.1251 5.1251 5.9856 5.9856 7.0609 7.0609 7.6257 7.6257 7.9306 7.9306 8.2899 8.2899 9.6115 9.6115 9.6722 9.6722 11.9853 11.9853 12.4067 12.4067 12.8024 12.8024 k = 0.5000 0.2887-0.0000 ( 5798 PWs) bands (ev): -18.6250 -18.6250 -18.6084 -18.6084 -5.4059 -5.4059 -5.3783 -5.3783 -3.6286 -3.6286 -3.5494 -3.5494 -3.3427 -3.3427 -3.2373 -3.2373 -1.1395 -1.1395 -0.6428 -0.6428 3.9284 3.9284 4.0477 4.0477 4.0526 4.0526 4.1399 4.1399 4.2960 4.2960 4.5331 4.5331 4.5467 4.5467 4.6443 4.6443 4.6763 4.6763 4.8999 4.8999 5.1241 5.1241 5.9882 5.9882 7.0594 7.0594 7.6236 7.6236 7.9325 7.9325 8.2906 8.2906 9.6098 9.6098 9.6709 9.6709 11.9903 11.9903 12.4336 12.4336 12.7778 12.7778 k = 0.3333 0.5774-0.0000 ( 5832 PWs) bands (ev): -18.6221 -18.6221 -18.6059 -18.6059 -5.4063 -5.4063 -5.3855 -5.3855 -3.6068 -3.6068 -3.5085 -3.5085 -3.4179 -3.4179 -3.3203 -3.3203 -0.8934 -0.8934 -0.8157 -0.8157 3.9516 3.9516 3.9912 3.9912 4.0268 4.0268 4.3811 4.3811 4.4068 4.4068 4.4938 4.4938 4.5080 4.5080 4.5590 4.5590 4.8674 4.8674 5.0839 5.0839 5.5106 5.5106 5.5668 5.5668 5.9977 5.9977 7.2867 7.2867 7.9855 7.9855 8.0202 8.0202 10.6448 10.6448 10.7058 10.7058 11.5520 11.5520 11.6408 11.6408 12.3614 12.3614 k = 0.3333 0.5774 0.0144 ( 5838 PWs) bands (ev): -18.6221 -18.6221 -18.6059 -18.6059 -5.4063 -5.4063 -5.3855 -5.3855 -3.6065 -3.6065 -3.5083 -3.5083 -3.4182 -3.4182 -3.3207 -3.3207 -0.8934 -0.8934 -0.8156 -0.8156 3.9514 3.9514 3.9910 3.9910 4.0269 4.0269 4.3812 4.3812 4.4067 4.4067 4.4923 4.4923 4.5095 4.5095 4.5591 4.5591 4.8673 4.8673 5.0841 5.0841 5.5106 5.5106 5.5667 5.5667 6.0002 6.0002 7.2841 7.2841 7.9860 7.9860 8.0205 8.0205 10.6399 10.6399 10.7008 10.7008 11.5584 11.5584 11.6469 11.6469 12.3635 12.3635 k = 0.3333 0.5774 0.0288 ( 5847 PWs) bands (ev): -18.6220 -18.6220 -18.6060 -18.6060 -5.4061 -5.4061 -5.3855 -5.3855 -3.6057 -3.6057 -3.5074 -3.5074 -3.4191 -3.4191 -3.3220 -3.3220 -0.8933 -0.8933 -0.8154 -0.8154 3.9505 3.9505 3.9904 3.9904 4.0272 4.0272 4.3815 4.3815 4.4064 4.4064 4.4889 4.4889 4.5130 4.5130 4.5592 4.5592 4.8668 4.8668 5.0848 5.0848 5.5105 5.5105 5.5665 5.5665 6.0075 6.0075 7.2763 7.2763 7.9873 7.9873 8.0214 8.0214 10.6258 10.6258 10.6862 10.6862 11.5772 11.5772 11.6650 11.6650 12.3699 12.3699 k = 0.3333 0.5774 0.0432 ( 5844 PWs) bands (ev): -18.6219 -18.6219 -18.6062 -18.6062 -5.4059 -5.4059 -5.3855 -5.3855 -3.6044 -3.6044 -3.5060 -3.5060 -3.4206 -3.4206 -3.3240 -3.3240 -0.8932 -0.8932 -0.8150 -0.8150 3.9493 3.9493 3.9895 3.9895 4.0277 4.0277 4.3820 4.3820 4.4060 4.4060 4.4849 4.4849 4.5173 4.5173 4.5595 4.5595 4.8660 4.8660 5.0858 5.0858 5.5105 5.5105 5.5661 5.5661 6.0195 6.0195 7.2634 7.2634 7.9896 7.9896 8.0229 8.0229 10.6036 10.6036 10.6634 10.6634 11.6070 11.6070 11.6939 11.6939 12.3806 12.3806 k = 0.3333 0.5774 0.0576 ( 5835 PWs) bands (ev): -18.6216 -18.6216 -18.6064 -18.6064 -5.4056 -5.4056 -5.3855 -5.3855 -3.6026 -3.6026 -3.5040 -3.5040 -3.4228 -3.4228 -3.3268 -3.3268 -0.8931 -0.8931 -0.8144 -0.8144 3.9476 3.9476 3.9884 3.9884 4.0283 4.0283 4.3827 4.3827 4.4054 4.4054 4.4807 4.4807 4.5218 4.5218 4.5598 4.5598 4.8651 4.8651 5.0872 5.0872 5.5105 5.5105 5.5657 5.5657 6.0362 6.0362 7.2456 7.2456 7.9927 7.9927 8.0249 8.0249 10.5749 10.5749 10.6343 10.6343 11.6461 11.6461 11.7321 11.7321 12.3956 12.3956 k = 0.3333 0.5774 0.0720 ( 5829 PWs) bands (ev): -18.6214 -18.6214 -18.6066 -18.6066 -5.4052 -5.4052 -5.3855 -5.3855 -3.6003 -3.6003 -3.5014 -3.5014 -3.4254 -3.4254 -3.3304 -3.3304 -0.8928 -0.8928 -0.8137 -0.8137 3.9455 3.9455 3.9870 3.9870 4.0289 4.0289 4.3835 4.3835 4.4047 4.4047 4.4766 4.4766 4.5263 4.5263 4.5602 4.5602 4.8639 4.8639 5.0889 5.0889 5.5105 5.5105 5.5651 5.5651 6.0575 6.0575 7.2229 7.2229 7.9966 7.9966 8.0274 8.0274 10.5416 10.5416 10.6009 10.6009 11.6925 11.6925 11.7780 11.7780 12.4148 12.4148 k = 0.3333 0.5774 0.0864 ( 5823 PWs) bands (ev): -18.6211 -18.6211 -18.6070 -18.6070 -5.4047 -5.4047 -5.3855 -5.3855 -3.5976 -3.5976 -3.4983 -3.4983 -3.4286 -3.4286 -3.3347 -3.3347 -0.8926 -0.8926 -0.8129 -0.8129 3.9431 3.9431 3.9854 3.9854 4.0297 4.0297 4.3845 4.3845 4.4039 4.4039 4.4726 4.4726 4.5308 4.5308 4.5607 4.5607 4.8625 4.8625 5.0909 5.0909 5.5105 5.5105 5.5644 5.5644 6.0830 6.0830 7.1957 7.1957 8.0011 8.0011 8.0303 8.0303 10.5052 10.5052 10.5649 10.5649 11.7448 11.7448 11.8300 11.8300 12.4382 12.4382 k = 0.3333 0.5774 0.1008 ( 5838 PWs) bands (ev): -18.6207 -18.6207 -18.6074 -18.6074 -5.4042 -5.4042 -5.3856 -5.3856 -3.5944 -3.5944 -3.4947 -3.4947 -3.4322 -3.4322 -3.3396 -3.3396 -0.8924 -0.8924 -0.8120 -0.8120 3.9404 3.9404 3.9837 3.9837 4.0305 4.0305 4.3855 4.3855 4.4031 4.4031 4.4686 4.4686 4.5350 4.5350 4.5611 4.5611 4.8610 4.8610 5.0931 5.0931 5.5104 5.5104 5.5636 5.5636 6.1127 6.1127 7.1641 7.1641 8.0061 8.0061 8.0335 8.0335 10.4673 10.4673 10.5278 10.5278 11.8016 11.8016 11.8868 11.8868 12.4659 12.4659 k = 0.3333 0.5774 0.1152 ( 5826 PWs) bands (ev): -18.6202 -18.6202 -18.6078 -18.6078 -5.4037 -5.4037 -5.3856 -5.3856 -3.5909 -3.5909 -3.4905 -3.4905 -3.4362 -3.4362 -3.3452 -3.3452 -0.8921 -0.8921 -0.8111 -0.8111 3.9376 3.9376 3.9819 3.9819 4.0313 4.0313 4.3865 4.3865 4.4024 4.4024 4.4649 4.4649 4.5392 4.5392 4.5616 4.5616 4.8595 4.8595 5.0955 5.0955 5.5104 5.5104 5.5628 5.5628 6.1463 6.1463 7.1285 7.1285 8.0115 8.0115 8.0370 8.0370 10.4292 10.4292 10.4908 10.4908 11.8618 11.8618 11.9475 11.9475 12.4977 12.4977 k = 0.3333 0.5774 0.1296 ( 5835 PWs) bands (ev): -18.6198 -18.6198 -18.6083 -18.6083 -5.4031 -5.4031 -5.3856 -5.3856 -3.5871 -3.5871 -3.4859 -3.4859 -3.4406 -3.4406 -3.3513 -3.3513 -0.8918 -0.8918 -0.8101 -0.8101 3.9347 3.9347 3.9802 3.9802 4.0320 4.0320 4.3876 4.3876 4.4016 4.4016 4.4613 4.4613 4.5430 4.5430 4.5621 4.5621 4.8580 4.8580 5.0979 5.0979 5.5104 5.5104 5.5619 5.5619 6.1834 6.1834 7.0892 7.0892 8.0172 8.0172 8.0406 8.0406 10.3920 10.3920 10.4549 10.4549 11.9245 11.9245 12.0111 12.0111 12.5336 12.5336 k = 0.3333 0.5774 0.1440 ( 5829 PWs) bands (ev): -18.6192 -18.6192 -18.6088 -18.6088 -5.4025 -5.4025 -5.3857 -5.3857 -3.5831 -3.5831 -3.4808 -3.4808 -3.4451 -3.4451 -3.3578 -3.3578 -0.8915 -0.8915 -0.8092 -0.8092 3.9318 3.9318 3.9784 3.9784 4.0327 4.0327 4.3887 4.3887 4.4009 4.4009 4.4580 4.4580 4.5466 4.5466 4.5626 4.5626 4.8565 4.8565 5.1004 5.1004 5.5105 5.5105 5.5610 5.5610 6.2239 6.2239 7.0465 7.0465 8.0229 8.0229 8.0442 8.0442 10.3565 10.3565 10.4209 10.4209 11.9889 11.9889 12.0769 12.0769 12.5736 12.5736 k = 0.3333 0.5774 0.1584 ( 5835 PWs) bands (ev): -18.6187 -18.6187 -18.6094 -18.6094 -5.4020 -5.4020 -5.3857 -5.3857 -3.5788 -3.5788 -3.4753 -3.4753 -3.4498 -3.4498 -3.3648 -3.3648 -0.8912 -0.8912 -0.8083 -0.8083 3.9291 3.9291 3.9768 3.9768 4.0334 4.0334 4.3897 4.3897 4.4003 4.4003 4.4550 4.4550 4.5499 4.5499 4.5630 4.5630 4.8551 4.8551 5.1027 5.1027 5.5105 5.5105 5.5601 5.5601 6.2673 6.2673 7.0008 7.0008 8.0285 8.0285 8.0478 8.0478 10.3235 10.3235 10.3896 10.3896 12.0543 12.0543 12.1441 12.1441 12.6175 12.6175 k = 0.3333 0.5774 0.1728 ( 5826 PWs) bands (ev): -18.6181 -18.6181 -18.6100 -18.6100 -5.4014 -5.4014 -5.3858 -5.3858 -3.5746 -3.5746 -3.4694 -3.4694 -3.4546 -3.4546 -3.3720 -3.3720 -0.8910 -0.8910 -0.8074 -0.8074 3.9265 3.9265 3.9753 3.9753 4.0340 4.0340 4.3906 4.3906 4.3998 4.3998 4.4523 4.4523 4.5528 4.5528 4.5634 4.5634 4.8539 4.8539 5.1050 5.1050 5.5106 5.5106 5.5593 5.5593 6.3135 6.3135 6.9525 6.9525 8.0338 8.0338 8.0512 8.0512 10.2936 10.2936 10.3614 10.3614 12.1198 12.1198 12.2121 12.2121 12.6653 12.6653 k = 0.3333 0.5774 0.1873 ( 5820 PWs) bands (ev): -18.6175 -18.6175 -18.6106 -18.6106 -5.4009 -5.4009 -5.3858 -5.3858 -3.5704 -3.5704 -3.4632 -3.4632 -3.4591 -3.4591 -3.3794 -3.3794 -0.8907 -0.8907 -0.8066 -0.8066 3.9242 3.9242 3.9739 3.9739 4.0346 4.0346 4.3914 4.3914 4.3994 4.3994 4.4499 4.4499 4.5554 4.5554 4.5637 4.5637 4.8528 4.8528 5.1071 5.1071 5.5106 5.5106 5.5586 5.5586 6.3621 6.3621 6.9021 6.9021 8.0387 8.0387 8.0542 8.0542 10.2675 10.2675 10.3368 10.3368 12.1842 12.1842 12.2799 12.2799 12.7168 12.7168 k = 0.3333 0.5774 0.2017 ( 5805 PWs) bands (ev): -18.6168 -18.6168 -18.6112 -18.6112 -5.4005 -5.4005 -5.3859 -5.3859 -3.5666 -3.5666 -3.4634 -3.4634 -3.4567 -3.4567 -3.3868 -3.3868 -0.8905 -0.8905 -0.8059 -0.8059 3.9223 3.9223 3.9727 3.9727 4.0350 4.0350 4.3921 4.3921 4.3991 4.3991 4.4479 4.4479 4.5576 4.5576 4.5639 4.5639 4.8519 4.8519 5.1089 5.1089 5.5107 5.5107 5.5579 5.5579 6.4126 6.4126 6.8499 6.8499 8.0429 8.0429 8.0569 8.0569 10.2455 10.2455 10.3162 10.3162 12.2459 12.2459 12.3461 12.3461 12.7718 12.7718 k = 0.3333 0.5774 0.2161 ( 5814 PWs) bands (ev): -18.6161 -18.6161 -18.6119 -18.6119 -5.4001 -5.4001 -5.3860 -5.3860 -3.5632 -3.5632 -3.4671 -3.4671 -3.4503 -3.4503 -3.3941 -3.3941 -0.8904 -0.8904 -0.8053 -0.8053 3.9207 3.9207 3.9718 3.9718 4.0354 4.0354 4.3927 4.3927 4.3988 4.3988 4.4463 4.4463 4.5594 4.5594 4.5639 4.5639 4.8511 4.8511 5.1103 5.1103 5.5107 5.5107 5.5574 5.5574 6.4648 6.4648 6.7963 6.7963 8.0464 8.0464 8.0590 8.0590 10.2280 10.2280 10.2999 10.2999 12.3023 12.3023 12.4085 12.4085 12.8297 12.8297 k = 0.3333 0.5774 0.2305 ( 5808 PWs) bands (ev): -18.6155 -18.6155 -18.6126 -18.6126 -5.3999 -5.3999 -5.3860 -5.3860 -3.5605 -3.5605 -3.4700 -3.4700 -3.4443 -3.4443 -3.4008 -3.4008 -0.8902 -0.8902 -0.8049 -0.8049 3.9195 3.9195 3.9711 3.9711 4.0356 4.0356 4.3931 4.3931 4.3987 4.3987 4.4451 4.4451 4.5609 4.5609 4.5638 4.5638 4.8506 4.8506 5.1114 5.1114 5.5107 5.5107 5.5570 5.5570 6.5180 6.5180 6.7421 6.7421 8.0490 8.0490 8.0606 8.0606 10.2153 10.2153 10.2880 10.2880 12.3495 12.3495 12.4629 12.4629 12.8893 12.8893 k = 0.3333 0.5774 0.2449 ( 5802 PWs) bands (ev): -18.6148 -18.6148 -18.6133 -18.6133 -5.3997 -5.3997 -5.3860 -5.3860 -3.5588 -3.5588 -3.4718 -3.4718 -3.4394 -3.4394 -3.4060 -3.4060 -0.8902 -0.8902 -0.8047 -0.8047 3.9188 3.9188 3.9707 3.9707 4.0358 4.0358 4.3933 4.3933 4.3986 4.3986 4.4444 4.4444 4.5621 4.5621 4.5635 4.5635 4.8503 4.8503 5.1120 5.1120 5.5108 5.5108 5.5568 5.5568 6.5713 6.5713 6.6882 6.6882 8.0506 8.0506 8.0616 8.0616 10.2077 10.2077 10.2809 10.2809 12.3819 12.3819 12.5022 12.5022 12.9390 12.9390 k = 0.3333 0.5774 0.2593 ( 5796 PWs) bands (ev): -18.6143 -18.6143 -18.6138 -18.6138 -5.3996 -5.3996 -5.3860 -5.3860 -3.5582 -3.5582 -3.4725 -3.4725 -3.4373 -3.4373 -3.4082 -3.4082 -0.8901 -0.8901 -0.8046 -0.8046 3.9186 3.9186 3.9706 3.9706 4.0359 4.0359 4.3934 4.3934 4.3986 4.3986 4.4442 4.4442 4.5628 4.5628 4.5631 4.5631 4.8502 4.8502 5.1123 5.1123 5.5108 5.5108 5.5567 5.5567 6.6112 6.6112 6.6481 6.6481 8.0511 8.0511 8.0620 8.0620 10.2051 10.2051 10.2785 10.2785 12.3936 12.3936 12.5170 12.5170 12.9412 12.9412 Writing output data file BaAgAs.save init_run : 0.28s CPU 0.40s WALL ( 1 calls) electrons : 208.50s CPU 211.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 208.50s CPU 211.12s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 281 calls) cegterg : 192.01s CPU 194.02s WALL ( 357 calls) Called by sum_band: Called by *egterg: h_psi : 105.47s CPU 106.92s WALL ( 6134 calls) s_psi : 7.12s CPU 7.28s WALL ( 6134 calls) g_psi : 0.38s CPU 0.34s WALL ( 5496 calls) cdiaghg : 66.36s CPU 66.93s WALL ( 5777 calls) cegterg:over : 9.56s CPU 9.50s WALL ( 5496 calls) cegterg:upda : 8.79s CPU 8.90s WALL ( 5496 calls) cegterg:last : 3.98s CPU 3.95s WALL ( 951 calls) cdiaghg:chol : 3.94s CPU 3.88s WALL ( 5777 calls) cdiaghg:inve : 2.70s CPU 2.83s WALL ( 5777 calls) cdiaghg:para : 4.63s CPU 4.74s WALL ( 11554 calls) Called by h_psi: h_psi:vloc : 89.85s CPU 91.26s WALL ( 6134 calls) h_psi:vnl : 15.26s CPU 15.32s WALL ( 6134 calls) add_vuspsi : 8.13s CPU 8.09s WALL ( 6134 calls) General routines calbec : 7.10s CPU 7.21s WALL ( 6134 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.00s CPU 86.21s WALL ( 796492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.27s WALL ( 562 calls) Parallel routines fft_scatter : 24.96s CPU 25.76s WALL ( 796515 calls) PWSCF : 3m48.07s CPU 4m 0.72s WALL This run was terminated on: 18:18:15 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=