Program PWSCF v.5.1.1 starts on 23Jul2015 at 16: 7: 0 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BaS3.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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 67 19 1889 1419 225 Max 82 68 20 1892 1435 228 Sum 2593 2161 633 60475 45703 7257 bravais-lattice index = 14 lattice parameter (alat) = 13.0032 a.u. unit-cell volume = 1334.6399 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.003205 celldm(2)= 1.000000 celldm(3)= 0.607034 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.607034 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.647355 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /home/autes/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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) 8 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 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) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0035587 k( 6) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0035587 k( 8) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0035587 k( 9) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0035587 k( 11) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0035587 k( 12) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0035587 k( 13) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0035587 k( 14) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0035587 k( 15) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0035587 k( 16) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0035587 k( 17) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0035587 k( 19) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0035587 k( 20) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0035587 k( 21) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0035587 k( 22) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0035587 k( 23) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0035587 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 26) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0035587 k( 27) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0035587 k( 28) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0035587 k( 29) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0035587 k( 30) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0035587 k( 31) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0035587 k( 32) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0035587 k( 33) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0035587 k( 34) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0035587 k( 35) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0035587 k( 36) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0035587 k( 37) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0035587 k( 38) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0035587 k( 39) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0035587 k( 40) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0035587 k( 41) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0035587 k( 42) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0035587 k( 43) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0035587 k( 44) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0035587 k( 45) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0035587 k( 46) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0035587 k( 47) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0035587 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 49) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 50) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0035587 k( 51) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0035587 k( 52) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0035587 k( 53) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0035587 k( 54) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0035587 k( 55) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0035587 k( 56) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0035587 k( 57) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0035587 k( 58) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0035587 k( 59) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0035587 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035587 k( 61) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0035587 k( 62) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0035587 k( 63) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0035587 k( 64) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0035587 k( 65) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0035587 k( 66) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0035587 k( 67) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0035587 k( 68) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0035587 k( 69) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0035587 k( 70) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0035587 k( 71) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035587 k( 72) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0035587 k( 73) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0035587 k( 74) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0035587 k( 75) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0035587 k( 76) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0035587 k( 77) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0035587 k( 78) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0035587 k( 79) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0035587 k( 80) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0035587 k( 81) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0035587 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 84) = ( 0.0000000 0.0000000 0.0216757), wk = 0.0035587 k( 85) = ( 0.0000000 0.0000000 0.0433514), wk = 0.0035587 k( 86) = ( 0.0000000 0.0000000 0.0650271), wk = 0.0035587 k( 87) = ( 0.0000000 0.0000000 0.0867029), wk = 0.0035587 k( 88) = ( 0.0000000 0.0000000 0.1083786), wk = 0.0035587 k( 89) = ( 0.0000000 0.0000000 0.1300543), wk = 0.0035587 k( 90) = ( 0.0000000 0.0000000 0.1517300), wk = 0.0035587 k( 91) = ( 0.0000000 0.0000000 0.1734057), wk = 0.0035587 k( 92) = ( 0.0000000 0.0000000 0.1950815), wk = 0.0035587 k( 93) = ( 0.0000000 0.0000000 0.2167572), wk = 0.0035587 k( 94) = ( 0.0000000 0.0000000 0.2384329), wk = 0.0035587 k( 95) = ( 0.0000000 0.0000000 0.2601086), wk = 0.0035587 k( 96) = ( 0.0000000 0.0000000 0.2817843), wk = 0.0035587 k( 97) = ( 0.0000000 0.0000000 0.3034601), wk = 0.0035587 k( 98) = ( 0.0000000 0.0000000 0.3251358), wk = 0.0035587 k( 99) = ( 0.0000000 0.0000000 0.3468115), wk = 0.0035587 k( 100) = ( 0.0000000 0.0000000 0.3684872), wk = 0.0035587 k( 101) = ( 0.0000000 0.0000000 0.3901629), wk = 0.0035587 k( 102) = ( 0.0000000 0.0000000 0.4118386), wk = 0.0035587 k( 103) = ( 0.0000000 0.0000000 0.4335144), wk = 0.0035587 k( 104) = ( 0.0000000 0.0000000 0.4551901), wk = 0.0035587 k( 105) = ( 0.0000000 0.0000000 0.4768658), wk = 0.0035587 k( 106) = ( 0.0000000 0.0000000 0.4985415), wk = 0.0035587 k( 107) = ( 0.0000000 0.0000000 0.5202172), wk = 0.0035587 k( 108) = ( 0.0000000 0.0000000 0.5418930), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.5635687), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.5852444), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.6069201), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.6285958), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.6502715), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.6719473), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.6936230), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.7152987), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.7369744), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.7586501), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.7803258), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.8020016), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.8236773), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.8236773), wk = 0.0035587 k( 123) = ( 0.0000000 0.0217391 0.8236773), wk = 0.0035587 k( 124) = ( 0.0000000 0.0434783 0.8236773), wk = 0.0035587 k( 125) = ( 0.0000000 0.0652174 0.8236773), wk = 0.0035587 k( 126) = ( 0.0000000 0.0869565 0.8236773), wk = 0.0035587 k( 127) = ( 0.0000000 0.1086957 0.8236773), wk = 0.0035587 k( 128) = ( 0.0000000 0.1304348 0.8236773), wk = 0.0035587 k( 129) = ( 0.0000000 0.1521739 0.8236773), wk = 0.0035587 k( 130) = ( 0.0000000 0.1739130 0.8236773), wk = 0.0035587 k( 131) = ( 0.0000000 0.1956522 0.8236773), wk = 0.0035587 k( 132) = ( 0.0000000 0.2173913 0.8236773), wk = 0.0035587 k( 133) = ( 0.0000000 0.2391304 0.8236773), wk = 0.0035587 k( 134) = ( 0.0000000 0.2608696 0.8236773), wk = 0.0035587 k( 135) = ( 0.0000000 0.2826087 0.8236773), wk = 0.0035587 k( 136) = ( 0.0000000 0.3043478 0.8236773), wk = 0.0035587 k( 137) = ( 0.0000000 0.3260870 0.8236773), wk = 0.0035587 k( 138) = ( 0.0000000 0.3478261 0.8236773), wk = 0.0035587 k( 139) = ( 0.0000000 0.3695652 0.8236773), wk = 0.0035587 k( 140) = ( 0.0000000 0.3913044 0.8236773), wk = 0.0035587 k( 141) = ( 0.0000000 0.4130435 0.8236773), wk = 0.0035587 k( 142) = ( 0.0000000 0.4347826 0.8236773), wk = 0.0035587 k( 143) = ( 0.0000000 0.4565217 0.8236773), wk = 0.0035587 k( 144) = ( 0.0000000 0.4782609 0.8236773), wk = 0.0035587 k( 145) = ( 0.0000000 0.5000000 0.8236773), wk = 0.0035587 k( 146) = ( 0.0000000 0.5000000 0.8236773), wk = 0.0035587 k( 147) = ( 0.0217391 0.5000000 0.8236773), wk = 0.0035587 k( 148) = ( 0.0434783 0.5000000 0.8236773), wk = 0.0035587 k( 149) = ( 0.0652174 0.5000000 0.8236773), wk = 0.0035587 k( 150) = ( 0.0869565 0.5000000 0.8236773), wk = 0.0035587 k( 151) = ( 0.1086957 0.5000000 0.8236773), wk = 0.0035587 k( 152) = ( 0.1304348 0.5000000 0.8236773), wk = 0.0035587 k( 153) = ( 0.1521739 0.5000000 0.8236773), wk = 0.0035587 k( 154) = ( 0.1739130 0.5000000 0.8236773), wk = 0.0035587 k( 155) = ( 0.1956522 0.5000000 0.8236773), wk = 0.0035587 k( 156) = ( 0.2173913 0.5000000 0.8236773), wk = 0.0035587 k( 157) = ( 0.2391304 0.5000000 0.8236773), wk = 0.0035587 k( 158) = ( 0.2608696 0.5000000 0.8236773), wk = 0.0035587 k( 159) = ( 0.2826087 0.5000000 0.8236773), wk = 0.0035587 k( 160) = ( 0.3043478 0.5000000 0.8236773), wk = 0.0035587 k( 161) = ( 0.3260870 0.5000000 0.8236773), wk = 0.0035587 k( 162) = ( 0.3478261 0.5000000 0.8236773), wk = 0.0035587 k( 163) = ( 0.3695652 0.5000000 0.8236773), wk = 0.0035587 k( 164) = ( 0.3913044 0.5000000 0.8236773), wk = 0.0035587 k( 165) = ( 0.4130435 0.5000000 0.8236773), wk = 0.0035587 k( 166) = ( 0.4347826 0.5000000 0.8236773), wk = 0.0035587 k( 167) = ( 0.4565217 0.5000000 0.8236773), wk = 0.0035587 k( 168) = ( 0.4782609 0.5000000 0.8236773), wk = 0.0035587 k( 169) = ( 0.5000000 0.5000000 0.8236773), wk = 0.0035587 k( 170) = ( 0.5000000 0.5000000 0.8236773), wk = 0.0035587 k( 171) = ( 0.4848485 0.4848485 0.8236773), wk = 0.0035587 k( 172) = ( 0.4696970 0.4696970 0.8236773), wk = 0.0035587 k( 173) = ( 0.4545455 0.4545454 0.8236773), wk = 0.0035587 k( 174) = ( 0.4393939 0.4393939 0.8236773), wk = 0.0035587 k( 175) = ( 0.4242424 0.4242424 0.8236773), wk = 0.0035587 k( 176) = ( 0.4090909 0.4090909 0.8236773), wk = 0.0035587 k( 177) = ( 0.3939394 0.3939394 0.8236773), wk = 0.0035587 k( 178) = ( 0.3787879 0.3787879 0.8236773), wk = 0.0035587 k( 179) = ( 0.3636364 0.3636364 0.8236773), wk = 0.0035587 k( 180) = ( 0.3484849 0.3484848 0.8236773), wk = 0.0035587 k( 181) = ( 0.3333333 0.3333333 0.8236773), wk = 0.0035587 k( 182) = ( 0.3181818 0.3181818 0.8236773), wk = 0.0035587 k( 183) = ( 0.3030303 0.3030303 0.8236773), wk = 0.0035587 k( 184) = ( 0.2878788 0.2878788 0.8236773), wk = 0.0035587 k( 185) = ( 0.2727273 0.2727273 0.8236773), wk = 0.0035587 k( 186) = ( 0.2575758 0.2575758 0.8236773), wk = 0.0035587 k( 187) = ( 0.2424242 0.2424242 0.8236773), wk = 0.0035587 k( 188) = ( 0.2272727 0.2272727 0.8236773), wk = 0.0035587 k( 189) = ( 0.2121212 0.2121212 0.8236773), wk = 0.0035587 k( 190) = ( 0.1969697 0.1969697 0.8236773), wk = 0.0035587 k( 191) = ( 0.1818182 0.1818182 0.8236773), wk = 0.0035587 k( 192) = ( 0.1666667 0.1666667 0.8236773), wk = 0.0035587 k( 193) = ( 0.1515151 0.1515151 0.8236773), wk = 0.0035587 k( 194) = ( 0.1363636 0.1363636 0.8236773), wk = 0.0035587 k( 195) = ( 0.1212121 0.1212121 0.8236773), wk = 0.0035587 k( 196) = ( 0.1060606 0.1060606 0.8236773), wk = 0.0035587 k( 197) = ( 0.0909091 0.0909091 0.8236773), wk = 0.0035587 k( 198) = ( 0.0757576 0.0757576 0.8236773), wk = 0.0035587 k( 199) = ( 0.0606061 0.0606061 0.8236773), wk = 0.0035587 k( 200) = ( 0.0454546 0.0454545 0.8236773), wk = 0.0035587 k( 201) = ( 0.0303030 0.0303030 0.8236773), wk = 0.0035587 k( 202) = ( 0.0151515 0.0151515 0.8236773), wk = 0.0035587 k( 203) = ( 0.0000000 0.0000000 0.8236773), wk = 0.0035587 k( 204) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 205) = ( 0.0000000 0.5000000 0.0216757), wk = 0.0035587 k( 206) = ( 0.0000000 0.5000000 0.0433514), wk = 0.0035587 k( 207) = ( 0.0000000 0.5000000 0.0650271), wk = 0.0035587 k( 208) = ( 0.0000000 0.5000000 0.0867029), wk = 0.0035587 k( 209) = ( 0.0000000 0.5000000 0.1083786), wk = 0.0035587 k( 210) = ( 0.0000000 0.5000000 0.1300543), wk = 0.0035587 k( 211) = ( 0.0000000 0.5000000 0.1517300), wk = 0.0035587 k( 212) = ( 0.0000000 0.5000000 0.1734057), wk = 0.0035587 k( 213) = ( 0.0000000 0.5000000 0.1950815), wk = 0.0035587 k( 214) = ( 0.0000000 0.5000000 0.2167572), wk = 0.0035587 k( 215) = ( 0.0000000 0.5000000 0.2384329), wk = 0.0035587 k( 216) = ( 0.0000000 0.5000000 0.2601086), wk = 0.0035587 k( 217) = ( 0.0000000 0.5000000 0.2817843), wk = 0.0035587 k( 218) = ( 0.0000000 0.5000000 0.3034601), wk = 0.0035587 k( 219) = ( 0.0000000 0.5000000 0.3251358), wk = 0.0035587 k( 220) = ( 0.0000000 0.5000000 0.3468115), wk = 0.0035587 k( 221) = ( 0.0000000 0.5000000 0.3684872), wk = 0.0035587 k( 222) = ( 0.0000000 0.5000000 0.3901629), wk = 0.0035587 k( 223) = ( 0.0000000 0.5000000 0.4118386), wk = 0.0035587 k( 224) = ( 0.0000000 0.5000000 0.4335144), wk = 0.0035587 k( 225) = ( 0.0000000 0.5000000 0.4551901), wk = 0.0035587 k( 226) = ( 0.0000000 0.5000000 0.4768658), wk = 0.0035587 k( 227) = ( 0.0000000 0.5000000 0.4985415), wk = 0.0035587 k( 228) = ( 0.0000000 0.5000000 0.5202172), wk = 0.0035587 k( 229) = ( 0.0000000 0.5000000 0.5418930), wk = 0.0035587 k( 230) = ( 0.0000000 0.5000000 0.5635687), wk = 0.0035587 k( 231) = ( 0.0000000 0.5000000 0.5852444), wk = 0.0035587 k( 232) = ( 0.0000000 0.5000000 0.6069201), wk = 0.0035587 k( 233) = ( 0.0000000 0.5000000 0.6285958), wk = 0.0035587 k( 234) = ( 0.0000000 0.5000000 0.6502715), wk = 0.0035587 k( 235) = ( 0.0000000 0.5000000 0.6719473), wk = 0.0035587 k( 236) = ( 0.0000000 0.5000000 0.6936230), wk = 0.0035587 k( 237) = ( 0.0000000 0.5000000 0.7152987), wk = 0.0035587 k( 238) = ( 0.0000000 0.5000000 0.7369744), wk = 0.0035587 k( 239) = ( 0.0000000 0.5000000 0.7586501), wk = 0.0035587 k( 240) = ( 0.0000000 0.5000000 0.7803258), wk = 0.0035587 k( 241) = ( 0.0000000 0.5000000 0.8020016), wk = 0.0035587 k( 242) = ( 0.0000000 0.5000000 0.8236773), wk = 0.0035587 k( 243) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 244) = ( 0.5000000 0.5000000 0.0216757), wk = 0.0035587 k( 245) = ( 0.5000000 0.5000000 0.0433514), wk = 0.0035587 k( 246) = ( 0.5000000 0.5000000 0.0650271), wk = 0.0035587 k( 247) = ( 0.5000000 0.5000000 0.0867029), wk = 0.0035587 k( 248) = ( 0.5000000 0.5000000 0.1083786), wk = 0.0035587 k( 249) = ( 0.5000000 0.5000000 0.1300543), wk = 0.0035587 k( 250) = ( 0.5000000 0.5000000 0.1517300), wk = 0.0035587 k( 251) = ( 0.5000000 0.5000000 0.1734057), wk = 0.0035587 k( 252) = ( 0.5000000 0.5000000 0.1950815), wk = 0.0035587 k( 253) = ( 0.5000000 0.5000000 0.2167572), wk = 0.0035587 k( 254) = ( 0.5000000 0.5000000 0.2384329), wk = 0.0035587 k( 255) = ( 0.5000000 0.5000000 0.2601086), wk = 0.0035587 k( 256) = ( 0.5000000 0.5000000 0.2817843), wk = 0.0035587 k( 257) = ( 0.5000000 0.5000000 0.3034601), wk = 0.0035587 k( 258) = ( 0.5000000 0.5000000 0.3251358), wk = 0.0035587 k( 259) = ( 0.5000000 0.5000000 0.3468115), wk = 0.0035587 k( 260) = ( 0.5000000 0.5000000 0.3684872), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 0.3901629), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 0.4118386), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 0.4335144), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 0.4551901), wk = 0.0035587 k( 265) = ( 0.5000000 0.5000000 0.4768658), wk = 0.0035587 k( 266) = ( 0.5000000 0.5000000 0.4985415), wk = 0.0035587 k( 267) = ( 0.5000000 0.5000000 0.5202172), wk = 0.0035587 k( 268) = ( 0.5000000 0.5000000 0.5418930), wk = 0.0035587 k( 269) = ( 0.5000000 0.5000000 0.5635687), wk = 0.0035587 k( 270) = ( 0.5000000 0.5000000 0.5852444), wk = 0.0035587 k( 271) = ( 0.5000000 0.5000000 0.6069201), wk = 0.0035587 k( 272) = ( 0.5000000 0.5000000 0.6285958), wk = 0.0035587 k( 273) = ( 0.5000000 0.5000000 0.6502715), wk = 0.0035587 k( 274) = ( 0.5000000 0.5000000 0.6719473), wk = 0.0035587 k( 275) = ( 0.5000000 0.5000000 0.6936230), wk = 0.0035587 k( 276) = ( 0.5000000 0.5000000 0.7152987), wk = 0.0035587 k( 277) = ( 0.5000000 0.5000000 0.7369744), wk = 0.0035587 k( 278) = ( 0.5000000 0.5000000 0.7586501), wk = 0.0035587 k( 279) = ( 0.5000000 0.5000000 0.7803258), wk = 0.0035587 k( 280) = ( 0.5000000 0.5000000 0.8020016), wk = 0.0035587 k( 281) = ( 0.5000000 0.5000000 0.8236773), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0035587 k( 6) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0035587 k( 8) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0035587 k( 9) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.1956522 0.0000000), wk = 0.0035587 k( 11) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0035587 k( 12) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0035587 k( 13) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0035587 k( 14) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0035587 k( 15) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0035587 k( 16) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0035587 k( 17) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0035587 k( 19) = ( 0.0000000 0.3913044 0.0000000), wk = 0.0035587 k( 20) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0035587 k( 21) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0035587 k( 22) = ( 0.0000000 0.4565217 0.0000000), wk = 0.0035587 k( 23) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0035587 k( 24) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 26) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0035587 k( 27) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0035587 k( 28) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0035587 k( 29) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0035587 k( 30) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0035587 k( 31) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0035587 k( 32) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0035587 k( 33) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0035587 k( 34) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0035587 k( 35) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0035587 k( 36) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0035587 k( 37) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0035587 k( 38) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0035587 k( 39) = ( 0.3043478 0.5000000 0.0000000), wk = 0.0035587 k( 40) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0035587 k( 41) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0035587 k( 42) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0035587 k( 43) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0035587 k( 44) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0035587 k( 45) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0035587 k( 46) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0035587 k( 47) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0035587 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 49) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 50) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0035587 k( 51) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0035587 k( 52) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0035587 k( 53) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0035587 k( 54) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0035587 k( 55) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0035587 k( 56) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0035587 k( 57) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0035587 k( 58) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0035587 k( 59) = ( 0.3484849 0.3484849 -0.0000000), wk = 0.0035587 k( 60) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035587 k( 61) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0035587 k( 62) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0035587 k( 63) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0035587 k( 64) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0035587 k( 65) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0035587 k( 66) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0035587 k( 67) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0035587 k( 68) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0035587 k( 69) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0035587 k( 70) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0035587 k( 71) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035587 k( 72) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0035587 k( 73) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0035587 k( 74) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0035587 k( 75) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0035587 k( 76) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0035587 k( 77) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0035587 k( 78) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0035587 k( 79) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0035587 k( 80) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0035587 k( 81) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0035587 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 84) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0035587 k( 85) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0035587 k( 86) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0035587 k( 87) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0035587 k( 88) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0035587 k( 89) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0035587 k( 90) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0035587 k( 91) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0035587 k( 92) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0035587 k( 93) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0035587 k( 94) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0035587 k( 95) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0035587 k( 96) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0035587 k( 97) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0035587 k( 98) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0035587 k( 99) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0035587 k( 100) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0035587 k( 101) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0035587 k( 102) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 103) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0035587 k( 104) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0035587 k( 105) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0035587 k( 106) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0035587 k( 107) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0035587 k( 108) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 123) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0035587 k( 124) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0035587 k( 125) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0035587 k( 126) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0035587 k( 127) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0035587 k( 128) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0035587 k( 129) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0035587 k( 130) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0035587 k( 131) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0035587 k( 132) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0035587 k( 133) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0035587 k( 134) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0035587 k( 135) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0035587 k( 136) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0035587 k( 137) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0035587 k( 138) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0035587 k( 139) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0035587 k( 140) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0035587 k( 141) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0035587 k( 142) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0035587 k( 143) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0035587 k( 144) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0035587 k( 145) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 146) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 147) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0035587 k( 148) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0035587 k( 149) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0035587 k( 150) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0035587 k( 151) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0035587 k( 152) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0035587 k( 153) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0035587 k( 154) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0035587 k( 155) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0035587 k( 156) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0035587 k( 157) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0035587 k( 158) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0035587 k( 159) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0035587 k( 160) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0035587 k( 161) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0035587 k( 162) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0035587 k( 163) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0035587 k( 164) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0035587 k( 165) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0035587 k( 166) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0035587 k( 167) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0035587 k( 168) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0035587 k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 171) = ( 0.4848485 0.4848485 0.5000000), wk = 0.0035587 k( 172) = ( 0.4696970 0.4696970 0.5000000), wk = 0.0035587 k( 173) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0035587 k( 174) = ( 0.4393939 0.4393939 0.5000000), wk = 0.0035587 k( 175) = ( 0.4242424 0.4242424 0.5000000), wk = 0.0035587 k( 176) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0035587 k( 177) = ( 0.3939394 0.3939394 0.5000000), wk = 0.0035587 k( 178) = ( 0.3787879 0.3787879 0.5000000), wk = 0.0035587 k( 179) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0035587 k( 180) = ( 0.3484849 0.3484849 0.5000000), wk = 0.0035587 k( 181) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 k( 182) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0035587 k( 183) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0035587 k( 184) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0035587 k( 185) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0035587 k( 186) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0035587 k( 187) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0035587 k( 188) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0035587 k( 189) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0035587 k( 190) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0035587 k( 191) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0035587 k( 192) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035587 k( 193) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0035587 k( 194) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0035587 k( 195) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0035587 k( 196) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0035587 k( 197) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0035587 k( 198) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0035587 k( 199) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0035587 k( 200) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0035587 k( 201) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0035587 k( 202) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0035587 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 204) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 205) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0035587 k( 206) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0035587 k( 207) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0035587 k( 208) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0035587 k( 209) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0035587 k( 210) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0035587 k( 211) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0035587 k( 212) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0035587 k( 213) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0035587 k( 214) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0035587 k( 215) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0035587 k( 216) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0035587 k( 217) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0035587 k( 218) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0035587 k( 219) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0035587 k( 220) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0035587 k( 221) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0035587 k( 222) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0035587 k( 223) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0035587 k( 224) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0035587 k( 225) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0035587 k( 226) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0035587 k( 227) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0035587 k( 228) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0035587 k( 229) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0035587 k( 230) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0035587 k( 231) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0035587 k( 232) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0035587 k( 233) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0035587 k( 234) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0035587 k( 235) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0035587 k( 236) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0035587 k( 237) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0035587 k( 238) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0035587 k( 239) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0035587 k( 240) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0035587 k( 241) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0035587 k( 242) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 243) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 244) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0035587 k( 245) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0035587 k( 246) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0035587 k( 247) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0035587 k( 248) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0035587 k( 249) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0035587 k( 250) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0035587 k( 251) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0035587 k( 252) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0035587 k( 253) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0035587 k( 254) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0035587 k( 255) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0035587 k( 256) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0035587 k( 257) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0035587 k( 258) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0035587 k( 259) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0035587 k( 260) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0035587 k( 265) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0035587 k( 266) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0035587 k( 267) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0035587 k( 268) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0035587 k( 269) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0035587 k( 270) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0035587 k( 271) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0035587 k( 272) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0035587 k( 273) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0035587 k( 274) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0035587 k( 275) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0035587 k( 276) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0035587 k( 277) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0035587 k( 278) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0035587 k( 279) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0035587 k( 280) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0035587 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 Dense grid: 60475 G-vectors FFT dimensions: ( 60, 60, 36) Smooth grid: 45703 G-vectors FFT dimensions: ( 54, 54, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 376, 68) NL pseudopotentials 0.79 Mb ( 188, 274) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1891) G-vector shells 0.01 Mb ( 916) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 376, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.57 Mb ( 274, 2, 68) The potential is recalculated from file : ./BaS3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.9 secs Computing kpt #: 4 total cpu time spent up to now is 15.1 secs Computing kpt #: 5 total cpu time spent up to now is 18.1 secs Computing kpt #: 6 total cpu time spent up to now is 20.7 secs Computing kpt #: 7 total cpu time spent up to now is 23.0 secs Computing kpt #: 8 total cpu time spent up to now is 25.2 secs Computing kpt #: 9 total cpu time spent up to now is 27.4 secs Computing kpt #: 10 total cpu time spent up to now is 29.6 secs Computing kpt #: 11 total cpu time spent up to now is 31.7 secs Computing kpt #: 12 total cpu time spent up to now is 33.8 secs Computing kpt #: 13 total cpu time spent up to now is 36.0 secs Computing kpt #: 14 total cpu time spent up to now is 37.9 secs Computing kpt #: 15 total cpu time spent up to now is 39.8 secs Computing kpt #: 16 total cpu time spent up to now is 41.6 secs Computing kpt #: 17 total cpu time spent up to now is 43.4 secs Computing kpt #: 18 total cpu time spent up to now is 45.2 secs Computing kpt #: 19 total cpu time spent up to now is 46.9 secs Computing kpt #: 20 total cpu time spent up to now is 48.7 secs Computing kpt #: 21 total cpu time spent up to now is 50.4 secs Computing kpt #: 22 total cpu time spent up to now is 52.1 secs Computing kpt #: 23 total cpu time spent up to now is 53.8 secs Computing kpt #: 24 total cpu time spent up to now is 55.5 secs Computing kpt #: 25 total cpu time spent up to now is 57.1 secs Computing kpt #: 26 total cpu time spent up to now is 58.8 secs Computing kpt #: 27 total cpu time spent up to now is 60.4 secs Computing kpt #: 28 total cpu time spent up to now is 62.1 secs Computing kpt #: 29 total cpu time spent up to now is 63.7 secs Computing kpt #: 30 total cpu time spent up to now is 65.4 secs Computing kpt #: 31 total cpu time spent up to now is 67.0 secs Computing kpt #: 32 total cpu time spent up to now is 68.7 secs Computing kpt #: 33 total cpu time spent up to now is 70.4 secs Computing kpt #: 34 total cpu time spent up to now is 72.1 secs Computing kpt #: 35 total cpu time spent up to now is 73.8 secs Computing kpt #: 36 total cpu time spent up to now is 75.6 secs Computing kpt #: 37 total cpu time spent up to now is 77.3 secs Computing kpt #: 38 total cpu time spent up to now is 79.1 secs Computing kpt #: 39 total cpu time spent up to now is 80.9 secs Computing kpt #: 40 total cpu time spent up to now is 82.6 secs Computing kpt #: 41 total cpu time spent up to now is 84.4 secs Computing kpt #: 42 total cpu time spent up to now is 86.2 secs Computing kpt #: 43 total cpu time spent up to now is 88.0 secs Computing kpt #: 44 total cpu time spent up to now is 89.7 secs Computing kpt #: 45 total cpu time spent up to now is 91.5 secs Computing kpt #: 46 total cpu time spent up to now is 93.2 secs Computing kpt #: 47 total cpu time spent up to now is 94.9 secs Computing kpt #: 48 total cpu time spent up to now is 96.6 secs Computing kpt #: 49 total cpu time spent up to now is 98.3 secs Computing kpt #: 50 total cpu time spent up to now is 100.1 secs Computing kpt #: 51 total cpu time spent up to now is 101.8 secs Computing kpt #: 52 total cpu time spent up to now is 103.7 secs Computing kpt #: 53 total cpu time spent up to now is 105.5 secs Computing kpt #: 54 total cpu time spent up to now is 107.4 secs Computing kpt #: 55 total cpu time spent up to now is 109.2 secs Computing kpt #: 56 total cpu time spent up to now is 111.0 secs Computing kpt #: 57 total cpu time spent up to now is 112.9 secs Computing kpt #: 58 total cpu time spent up to now is 114.7 secs Computing kpt #: 59 total cpu time spent up to now is 116.5 secs Computing kpt #: 60 total cpu time spent up to now is 118.3 secs Computing kpt #: 61 total cpu time spent up to now is 120.1 secs Computing kpt #: 62 total cpu time spent up to now is 121.9 secs Computing kpt #: 63 total cpu time spent up to now is 123.8 secs Computing kpt #: 64 total cpu time spent up to now is 125.6 secs Computing kpt #: 65 total cpu time spent up to now is 127.5 secs Computing kpt #: 66 total cpu time spent up to now is 129.4 secs Computing kpt #: 67 total cpu time spent up to now is 131.5 secs Computing kpt #: 68 total cpu time spent up to now is 133.6 secs Computing kpt #: 69 total cpu time spent up to now is 135.7 secs Computing kpt #: 70 total cpu time spent up to now is 137.8 secs Computing kpt #: 71 total cpu time spent up to now is 140.0 secs Computing kpt #: 72 total cpu time spent up to now is 142.1 secs Computing kpt #: 73 total cpu time spent up to now is 144.3 secs Computing kpt #: 74 total cpu time spent up to now is 146.5 secs Computing kpt #: 75 total cpu time spent up to now is 149.1 secs Computing kpt #: 76 total cpu time spent up to now is 151.4 secs Computing kpt #: 77 total cpu time spent up to now is 154.0 secs Computing kpt #: 78 total cpu time spent up to now is 157.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.2 secs Computing kpt #: 80 total cpu time spent up to now is 164.2 secs Computing kpt #: 81 total cpu time spent up to now is 166.3 secs Computing kpt #: 82 total cpu time spent up to now is 168.7 secs Computing kpt #: 83 total cpu time spent up to now is 171.2 secs Computing kpt #: 84 total cpu time spent up to now is 173.3 secs Computing kpt #: 85 total cpu time spent up to now is 175.5 secs Computing kpt #: 86 total cpu time spent up to now is 177.9 secs Computing kpt #: 87 total cpu time spent up to now is 180.5 secs Computing kpt #: 88 total cpu time spent up to now is 182.9 secs Computing kpt #: 89 total cpu time spent up to now is 185.1 secs Computing kpt #: 90 total cpu time spent up to now is 187.2 secs Computing kpt #: 91 total cpu time spent up to now is 189.5 secs Computing kpt #: 92 total cpu time spent up to now is 191.5 secs Computing kpt #: 93 total cpu time spent up to now is 193.7 secs Computing kpt #: 94 total cpu time spent up to now is 195.7 secs Computing kpt #: 95 total cpu time spent up to now is 197.9 secs Computing kpt #: 96 total cpu time spent up to now is 200.0 secs Computing kpt #: 97 total cpu time spent up to now is 202.1 secs Computing kpt #: 98 total cpu time spent up to now is 204.3 secs Computing kpt #: 99 total cpu time spent up to now is 206.4 secs Computing kpt #: 100 total cpu time spent up to now is 208.6 secs Computing kpt #: 101 total cpu time spent up to now is 211.1 secs Computing kpt #: 102 total cpu time spent up to now is 213.2 secs Computing kpt #: 103 total cpu time spent up to now is 215.6 secs Computing kpt #: 104 total cpu time spent up to now is 218.5 secs Computing kpt #: 105 total cpu time spent up to now is 221.4 secs Computing kpt #: 106 total cpu time spent up to now is 223.9 secs Computing kpt #: 107 total cpu time spent up to now is 226.0 secs Computing kpt #: 108 total cpu time spent up to now is 228.1 secs Computing kpt #: 109 total cpu time spent up to now is 230.2 secs Computing kpt #: 110 total cpu time spent up to now is 232.3 secs Computing kpt #: 111 total cpu time spent up to now is 234.2 secs Computing kpt #: 112 total cpu time spent up to now is 236.2 secs Computing kpt #: 113 total cpu time spent up to now is 238.3 secs Computing kpt #: 114 total cpu time spent up to now is 240.4 secs Computing kpt #: 115 total cpu time spent up to now is 242.5 secs Computing kpt #: 116 total cpu time spent up to now is 244.6 secs Computing kpt #: 117 total cpu time spent up to now is 246.7 secs Computing kpt #: 118 total cpu time spent up to now is 248.6 secs Computing kpt #: 119 total cpu time spent up to now is 250.6 secs Computing kpt #: 120 total cpu time spent up to now is 252.6 secs Computing kpt #: 121 total cpu time spent up to now is 254.7 secs Computing kpt #: 122 total cpu time spent up to now is 256.7 secs Computing kpt #: 123 total cpu time spent up to now is 258.7 secs Computing kpt #: 124 total cpu time spent up to now is 260.7 secs Computing kpt #: 125 total cpu time spent up to now is 262.8 secs Computing kpt #: 126 total cpu time spent up to now is 264.9 secs Computing kpt #: 127 total cpu time spent up to now is 266.9 secs Computing kpt #: 128 total cpu time spent up to now is 269.2 secs Computing kpt #: 129 total cpu time spent up to now is 271.5 secs Computing kpt #: 130 total cpu time spent up to now is 273.9 secs Computing kpt #: 131 total cpu time spent up to now is 276.5 secs Computing kpt #: 132 total cpu time spent up to now is 278.8 secs Computing kpt #: 133 total cpu time spent up to now is 281.2 secs Computing kpt #: 134 total cpu time spent up to now is 283.5 secs Computing kpt #: 135 total cpu time spent up to now is 285.8 secs Computing kpt #: 136 total cpu time spent up to now is 288.4 secs Computing kpt #: 137 total cpu time spent up to now is 290.8 secs Computing kpt #: 138 total cpu time spent up to now is 293.6 secs Computing kpt #: 139 total cpu time spent up to now is 296.9 secs Computing kpt #: 140 total cpu time spent up to now is 302.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.7 secs Computing kpt #: 142 total cpu time spent up to now is 308.6 secs Computing kpt #: 143 total cpu time spent up to now is 311.3 secs Computing kpt #: 144 total cpu time spent up to now is 314.0 secs Computing kpt #: 145 total cpu time spent up to now is 316.3 secs Computing kpt #: 146 total cpu time spent up to now is 318.6 secs Computing kpt #: 147 total cpu time spent up to now is 321.0 secs Computing kpt #: 148 total cpu time spent up to now is 323.3 secs Computing kpt #: 149 total cpu time spent up to now is 325.5 secs Computing kpt #: 150 total cpu time spent up to now is 327.7 secs Computing kpt #: 151 total cpu time spent up to now is 329.9 secs Computing kpt #: 152 total cpu time spent up to now is 332.0 secs Computing kpt #: 153 total cpu time spent up to now is 334.1 secs Computing kpt #: 154 total cpu time spent up to now is 336.3 secs Computing kpt #: 155 total cpu time spent up to now is 338.4 secs Computing kpt #: 156 total cpu time spent up to now is 340.5 secs Computing kpt #: 157 total cpu time spent up to now is 342.5 secs Computing kpt #: 158 total cpu time spent up to now is 344.5 secs Computing kpt #: 159 total cpu time spent up to now is 346.4 secs Computing kpt #: 160 total cpu time spent up to now is 348.4 secs Computing kpt #: 161 total cpu time spent up to now is 350.2 secs Computing kpt #: 162 total cpu time spent up to now is 352.1 secs Computing kpt #: 163 total cpu time spent up to now is 354.0 secs Computing kpt #: 164 total cpu time spent up to now is 355.8 secs Computing kpt #: 165 total cpu time spent up to now is 357.7 secs Computing kpt #: 166 total cpu time spent up to now is 359.5 secs Computing kpt #: 167 total cpu time spent up to now is 361.4 secs Computing kpt #: 168 total cpu time spent up to now is 363.2 secs Computing kpt #: 169 total cpu time spent up to now is 365.0 secs Computing kpt #: 170 total cpu time spent up to now is 366.8 secs Computing kpt #: 171 total cpu time spent up to now is 368.7 secs Computing kpt #: 172 total cpu time spent up to now is 370.6 secs Computing kpt #: 173 total cpu time spent up to now is 372.5 secs Computing kpt #: 174 total cpu time spent up to now is 374.4 secs Computing kpt #: 175 total cpu time spent up to now is 376.3 secs Computing kpt #: 176 total cpu time spent up to now is 378.3 secs Computing kpt #: 177 total cpu time spent up to now is 380.2 secs Computing kpt #: 178 total cpu time spent up to now is 382.4 secs Computing kpt #: 179 total cpu time spent up to now is 384.5 secs Computing kpt #: 180 total cpu time spent up to now is 386.6 secs Computing kpt #: 181 total cpu time spent up to now is 388.8 secs Computing kpt #: 182 total cpu time spent up to now is 391.0 secs Computing kpt #: 183 total cpu time spent up to now is 393.2 secs Computing kpt #: 184 total cpu time spent up to now is 395.4 secs Computing kpt #: 185 total cpu time spent up to now is 397.6 secs Computing kpt #: 186 total cpu time spent up to now is 399.8 secs Computing kpt #: 187 total cpu time spent up to now is 402.0 secs Computing kpt #: 188 total cpu time spent up to now is 404.3 secs Computing kpt #: 189 total cpu time spent up to now is 406.5 secs Computing kpt #: 190 total cpu time spent up to now is 408.7 secs Computing kpt #: 191 total cpu time spent up to now is 410.9 secs Computing kpt #: 192 total cpu time spent up to now is 413.1 secs Computing kpt #: 193 total cpu time spent up to now is 415.3 secs Computing kpt #: 194 total cpu time spent up to now is 417.3 secs Computing kpt #: 195 total cpu time spent up to now is 419.4 secs Computing kpt #: 196 total cpu time spent up to now is 421.4 secs Computing kpt #: 197 total cpu time spent up to now is 423.5 secs Computing kpt #: 198 total cpu time spent up to now is 425.5 secs Computing kpt #: 199 total cpu time spent up to now is 427.5 secs Computing kpt #: 200 total cpu time spent up to now is 429.6 secs Computing kpt #: 201 total cpu time spent up to now is 431.6 secs Computing kpt #: 202 total cpu time spent up to now is 433.6 secs Computing kpt #: 203 total cpu time spent up to now is 435.5 secs Computing kpt #: 204 total cpu time spent up to now is 437.1 secs Computing kpt #: 205 total cpu time spent up to now is 438.8 secs Computing kpt #: 206 total cpu time spent up to now is 440.5 secs Computing kpt #: 207 total cpu time spent up to now is 442.1 secs Computing kpt #: 208 total cpu time spent up to now is 443.8 secs Computing kpt #: 209 total cpu time spent up to now is 445.5 secs Computing kpt #: 210 total cpu time spent up to now is 447.2 secs Computing kpt #: 211 total cpu time spent up to now is 448.9 secs Computing kpt #: 212 total cpu time spent up to now is 450.6 secs Computing kpt #: 213 total cpu time spent up to now is 452.4 secs Computing kpt #: 214 total cpu time spent up to now is 454.1 secs Computing kpt #: 215 total cpu time spent up to now is 455.9 secs Computing kpt #: 216 total cpu time spent up to now is 457.7 secs Computing kpt #: 217 total cpu time spent up to now is 459.6 secs Computing kpt #: 218 total cpu time spent up to now is 461.4 secs Computing kpt #: 219 total cpu time spent up to now is 463.3 secs Computing kpt #: 220 total cpu time spent up to now is 465.2 secs Computing kpt #: 221 total cpu time spent up to now is 467.1 secs Computing kpt #: 222 total cpu time spent up to now is 469.2 secs Computing kpt #: 223 total cpu time spent up to now is 471.3 secs Computing kpt #: 224 total cpu time spent up to now is 473.5 secs Computing kpt #: 225 total cpu time spent up to now is 475.6 secs Computing kpt #: 226 total cpu time spent up to now is 477.9 secs Computing kpt #: 227 total cpu time spent up to now is 480.1 secs Computing kpt #: 228 total cpu time spent up to now is 482.4 secs Computing kpt #: 229 total cpu time spent up to now is 484.6 secs Computing kpt #: 230 total cpu time spent up to now is 486.8 secs Computing kpt #: 231 total cpu time spent up to now is 489.1 secs Computing kpt #: 232 total cpu time spent up to now is 491.3 secs Computing kpt #: 233 total cpu time spent up to now is 493.5 secs Computing kpt #: 234 total cpu time spent up to now is 495.7 secs Computing kpt #: 235 total cpu time spent up to now is 498.0 secs Computing kpt #: 236 total cpu time spent up to now is 500.2 secs Computing kpt #: 237 total cpu time spent up to now is 502.5 secs Computing kpt #: 238 total cpu time spent up to now is 504.7 secs Computing kpt #: 239 total cpu time spent up to now is 507.0 secs Computing kpt #: 240 total cpu time spent up to now is 509.3 secs Computing kpt #: 241 total cpu time spent up to now is 511.7 secs Computing kpt #: 242 total cpu time spent up to now is 514.0 secs Computing kpt #: 243 total cpu time spent up to now is 515.7 secs Computing kpt #: 244 total cpu time spent up to now is 517.4 secs Computing kpt #: 245 total cpu time spent up to now is 519.0 secs Computing kpt #: 246 total cpu time spent up to now is 520.7 secs Computing kpt #: 247 total cpu time spent up to now is 522.4 secs Computing kpt #: 248 total cpu time spent up to now is 524.2 secs Computing kpt #: 249 total cpu time spent up to now is 525.9 secs Computing kpt #: 250 total cpu time spent up to now is 527.6 secs Computing kpt #: 251 total cpu time spent up to now is 529.4 secs Computing kpt #: 252 total cpu time spent up to now is 531.1 secs Computing kpt #: 253 total cpu time spent up to now is 532.9 secs Computing kpt #: 254 total cpu time spent up to now is 534.7 secs Computing kpt #: 255 total cpu time spent up to now is 536.5 secs Computing kpt #: 256 total cpu time spent up to now is 538.3 secs Computing kpt #: 257 total cpu time spent up to now is 540.1 secs Computing kpt #: 258 total cpu time spent up to now is 541.9 secs Computing kpt #: 259 total cpu time spent up to now is 543.7 secs Computing kpt #: 260 total cpu time spent up to now is 545.5 secs Computing kpt #: 261 total cpu time spent up to now is 547.3 secs Computing kpt #: 262 total cpu time spent up to now is 549.2 secs Computing kpt #: 263 total cpu time spent up to now is 551.0 secs Computing kpt #: 264 total cpu time spent up to now is 552.9 secs Computing kpt #: 265 total cpu time spent up to now is 554.7 secs Computing kpt #: 266 total cpu time spent up to now is 556.5 secs Computing kpt #: 267 total cpu time spent up to now is 558.4 secs Computing kpt #: 268 total cpu time spent up to now is 560.2 secs Computing kpt #: 269 total cpu time spent up to now is 562.0 secs Computing kpt #: 270 total cpu time spent up to now is 563.8 secs Computing kpt #: 271 total cpu time spent up to now is 565.6 secs Computing kpt #: 272 total cpu time spent up to now is 567.4 secs Computing kpt #: 273 total cpu time spent up to now is 569.2 secs Computing kpt #: 274 total cpu time spent up to now is 571.0 secs Computing kpt #: 275 total cpu time spent up to now is 572.8 secs Computing kpt #: 276 total cpu time spent up to now is 574.5 secs Computing kpt #: 277 total cpu time spent up to now is 576.3 secs Computing kpt #: 278 total cpu time spent up to now is 578.2 secs Computing kpt #: 279 total cpu time spent up to now is 580.0 secs Computing kpt #: 280 total cpu time spent up to now is 581.8 secs Computing kpt #: 281 total cpu time spent up to now is 583.6 secs ethr = 1.79E-11, avg # of iterations = 44.0 total cpu time spent up to now is 583.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5679 PWs) bands (ev): -19.7908 -19.7908 -19.7754 -19.7754 -8.5977 -8.5977 -8.3352 -8.3352 -6.9069 -6.9069 -6.4121 -6.4121 -6.2257 -6.2257 -5.3179 -5.3179 -4.5255 -4.5255 -4.3009 -4.3009 -3.9904 -3.9904 -3.7723 -3.7723 -2.6278 -2.6278 -2.5884 -2.5884 1.6835 1.6835 1.7347 1.7347 2.9572 2.9572 3.0984 3.0984 3.5091 3.5091 3.5470 3.5470 3.5864 3.5864 4.9396 4.9396 5.5139 5.5139 5.6812 5.6812 5.6833 5.6833 5.8011 5.8011 7.1142 7.1142 7.1552 7.1552 8.5730 8.5730 8.6226 8.6226 9.9410 9.9410 9.9898 9.9898 10.1734 10.1734 10.9753 10.9753 k = 0.0000 0.0217-0.0000 ( 5685 PWs) bands (ev): -19.7908 -19.7908 -19.7754 -19.7754 -8.5977 -8.5977 -8.3361 -8.3358 -6.9081 -6.9036 -6.4134 -6.4107 -6.2246 -6.2245 -5.3243 -5.3124 -4.5256 -4.5255 -4.3025 -4.2992 -3.9955 -3.9869 -3.7738 -3.7738 -2.6273 -2.6267 -2.5879 -2.5879 1.6836 1.6846 1.7350 1.7352 2.9549 2.9577 3.0934 3.0974 3.5047 3.5075 3.5397 3.5441 3.5945 3.6043 4.9394 4.9398 5.5026 5.5095 5.6816 5.6819 5.6836 5.6940 5.7988 5.8017 7.1121 7.1125 7.1531 7.1533 8.5767 8.5769 8.6250 8.6261 9.9327 9.9348 9.9812 9.9826 10.1831 10.1833 10.9786 10.9807 k = 0.0000 0.0435-0.0000 ( 5693 PWs) bands (ev): -19.7907 -19.7907 -19.7755 -19.7755 -8.5978 -8.5978 -8.3387 -8.3380 -6.9071 -6.8981 -6.4143 -6.4093 -6.2214 -6.2209 -5.3317 -5.3078 -4.5256 -4.5256 -4.3040 -4.2976 -4.0022 -3.9850 -3.7783 -3.7783 -2.6253 -2.6241 -2.5865 -2.5864 1.6851 1.6869 1.7363 1.7366 2.9508 2.9563 3.0829 3.0907 3.4947 3.4969 3.5391 3.5406 3.6201 3.6325 4.9391 4.9398 5.4798 5.4912 5.6803 5.6814 5.6952 5.7137 5.7946 5.8011 7.1061 7.1066 7.1475 7.1480 8.5876 8.5881 8.6332 8.6353 9.9109 9.9139 9.9611 9.9649 10.2074 10.2078 10.9866 10.9916 k = 0.0000 0.0652-0.0000 ( 5699 PWs) bands (ev): -19.7906 -19.7906 -19.7756 -19.7755 -8.5979 -8.5979 -8.3428 -8.3417 -6.9040 -6.8906 -6.4149 -6.4084 -6.2163 -6.2145 -5.3399 -5.3043 -4.5258 -4.5257 -4.3055 -4.2960 -4.0105 -3.9846 -3.7858 -3.7857 -2.6218 -2.6200 -2.5843 -2.5841 1.6878 1.6904 1.7385 1.7391 2.9447 2.9528 3.0675 3.0785 3.4810 3.4833 3.5415 3.5492 3.6517 3.6651 4.9388 4.9399 5.4506 5.4643 5.6787 5.6805 5.7100 5.7361 5.7890 5.8007 7.0954 7.0958 7.1397 7.1407 8.6055 8.6063 8.6470 8.6502 9.8780 9.8811 9.9358 9.9426 10.2387 10.2393 10.9850 10.9954 k = 0.0000 0.0870-0.0000 ( 5699 PWs) bands (ev): -19.7905 -19.7905 -19.7757 -19.7757 -8.5980 -8.5980 -8.3484 -8.3469 -6.8988 -6.8811 -6.4151 -6.4081 -6.2093 -6.2051 -5.3490 -5.3019 -4.5258 -4.5258 -4.3069 -4.2945 -4.0203 -3.9857 -3.7960 -3.7959 -2.6169 -2.6145 -2.5812 -2.5808 1.6918 1.6952 1.7416 1.7426 2.9362 2.9466 3.0477 3.0614 3.4678 3.4718 3.5491 3.5615 3.6870 3.7007 4.9384 4.9398 5.4180 5.4329 5.6766 5.6790 5.7211 5.7538 5.7864 5.8034 7.0796 7.0796 7.1311 7.1327 8.6295 8.6308 8.6662 8.6705 9.8384 9.8416 9.9070 9.9165 10.2720 10.2729 10.9762 10.9906 k = 0.0000 0.1087-0.0000 ( 5694 PWs) bands (ev): -19.7903 -19.7903 -19.7758 -19.7758 -8.5981 -8.5981 -8.3553 -8.3535 -6.8917 -6.8697 -6.4151 -6.4087 -6.2003 -6.1925 -5.3591 -5.3007 -4.5259 -4.5258 -4.3080 -4.2930 -4.0314 -3.9881 -3.8089 -3.8086 -2.6109 -2.6078 -2.5773 -2.5768 1.6972 1.7011 1.7458 1.7472 2.9249 2.9374 3.0243 3.0402 3.4575 3.4639 3.5599 3.5757 3.7253 3.7391 4.9378 4.9398 5.3838 5.3994 5.6744 5.6772 5.7231 5.7528 5.7986 5.8119 7.0588 7.0594 7.1224 7.1246 8.6589 8.6607 8.6906 8.6958 9.7953 9.7989 9.8749 9.8867 10.3052 10.3064 10.9647 10.9822 k = 0.0000 0.1304-0.0000 ( 5684 PWs) bands (ev): -19.7901 -19.7901 -19.7760 -19.7760 -8.5982 -8.5982 -8.3634 -8.3613 -6.8828 -6.8566 -6.4150 -6.4105 -6.1894 -6.1768 -5.3701 -5.3008 -4.5257 -4.5256 -4.3089 -4.2916 -4.0437 -3.9917 -3.8242 -3.8238 -2.6038 -2.6002 -2.5728 -2.5720 1.7041 1.7082 1.7511 1.7530 2.9105 2.9248 2.9978 3.0155 3.4512 3.4601 3.5725 3.5910 3.7665 3.7801 4.9372 4.9397 5.3491 5.3651 5.6720 5.6750 5.7154 5.7393 5.8185 5.8252 7.0349 7.0360 7.1135 7.1161 8.6928 8.6952 8.7196 8.7257 9.7511 9.7551 9.8403 9.8539 10.3369 10.3383 10.9518 10.9719 k = 0.0000 0.1522-0.0000 ( 5692 PWs) bands (ev): -19.7899 -19.7899 -19.7762 -19.7762 -8.5982 -8.5981 -8.3726 -8.3703 -6.8723 -6.8419 -6.4151 -6.4134 -6.1763 -6.1578 -5.3822 -5.3025 -4.5253 -4.5252 -4.3095 -4.2903 -4.0571 -3.9963 -3.8417 -3.8410 -2.5959 -2.5918 -2.5676 -2.5666 1.7123 1.7164 1.7576 1.7601 2.8931 2.9085 2.9689 2.9878 3.4491 3.4606 3.5861 3.6067 3.8106 3.8237 4.9364 4.9395 5.3144 5.3307 5.6695 5.6723 5.7003 5.7208 5.8378 5.8402 7.0093 7.0111 7.1042 7.1071 8.7303 8.7335 8.7528 8.7597 9.7068 9.7114 9.8039 9.8188 10.3665 10.3682 10.9380 10.9600 k = 0.0000 0.1739-0.0000 ( 5690 PWs) bands (ev): -19.7896 -19.7896 -19.7765 -19.7765 -8.5980 -8.5979 -8.3827 -8.3801 -6.8602 -6.8259 -6.4176 -6.4155 -6.1612 -6.1359 -5.3954 -5.3058 -4.5245 -4.5243 -4.3097 -4.2891 -4.0715 -4.0018 -3.8611 -3.8600 -2.5875 -2.5829 -2.5620 -2.5607 1.7220 1.7260 1.7652 1.7685 2.8726 2.8887 2.9379 2.9579 3.4512 3.4651 3.6001 3.6223 3.8575 3.8699 4.9356 4.9394 5.2802 5.2967 5.6657 5.6673 5.6810 5.7002 5.8543 5.8547 6.9836 6.9861 7.0945 7.0975 8.7706 8.7747 8.7896 8.7972 9.6633 9.6687 9.7664 9.7823 10.3938 10.3957 10.9235 10.9470 k = 0.0000 0.1957-0.0000 ( 5692 PWs) bands (ev): -19.7893 -19.7893 -19.7767 -19.7767 -8.5977 -8.5975 -8.3935 -8.3908 -6.8467 -6.8087 -6.4230 -6.4165 -6.1439 -6.1111 -5.4097 -5.3109 -4.5232 -4.5229 -4.3096 -4.2881 -4.0866 -4.0081 -3.8821 -3.8805 -2.5787 -2.5736 -2.5561 -2.5543 1.7331 1.7367 1.7742 1.7783 2.8493 2.8655 2.9053 2.9260 3.4571 3.4731 3.6139 3.6374 3.9072 3.9188 4.9346 4.9392 5.2469 5.2637 5.6486 5.6532 5.6702 5.6849 5.8660 5.8684 6.9590 6.9622 7.0843 7.0873 8.8129 8.8181 8.8293 8.8375 9.6213 9.6276 9.7287 9.7453 10.4187 10.4208 10.9085 10.9332 k = 0.0000 0.2174-0.0000 ( 5688 PWs) bands (ev): -19.7890 -19.7890 -19.7770 -19.7770 -8.5972 -8.5969 -8.4049 -8.4020 -6.8320 -6.7904 -6.4295 -6.4183 -6.1245 -6.0837 -5.4253 -5.3180 -4.5211 -4.5208 -4.3090 -4.2873 -4.1023 -4.0150 -3.9045 -3.9022 -2.5697 -2.5643 -2.5499 -2.5476 1.7456 1.7487 1.7844 1.7893 2.8235 2.8395 2.8715 2.8927 3.4663 3.4842 3.6271 3.6517 3.9598 3.9705 4.9337 4.9391 5.2148 5.2317 5.6183 5.6250 5.6685 5.6798 5.8748 5.8786 6.9364 6.9403 7.0736 7.0765 8.8566 8.8629 8.8713 8.8799 9.5812 9.5884 9.6914 9.7084 10.4414 10.4436 10.8932 10.9186 k = 0.0000 0.2391-0.0000 ( 5686 PWs) bands (ev): -19.7887 -19.7887 -19.7774 -19.7774 -8.5963 -8.5960 -8.4168 -8.4138 -6.8163 -6.7714 -6.4371 -6.4210 -6.1031 -6.0539 -5.4422 -5.3272 -4.5183 -4.5179 -4.3080 -4.2869 -4.1184 -4.0223 -3.9278 -3.9246 -2.5608 -2.5551 -2.5435 -2.5406 1.7596 1.7620 1.7958 1.8015 2.7958 2.8112 2.8368 2.8583 3.4783 3.4977 3.6394 3.6648 4.0153 4.0249 4.9327 4.9390 5.1841 5.2012 5.5822 5.5888 5.6686 5.6790 5.8802 5.8853 6.9168 6.9213 7.0625 7.0651 8.9010 8.9084 8.9146 8.9236 9.5434 9.5516 9.6550 9.6721 10.4621 10.4645 10.8776 10.9034 k = 0.0000 0.2609-0.0000 ( 5696 PWs) bands (ev): -19.7883 -19.7883 -19.7777 -19.7777 -8.5952 -8.5947 -8.4289 -8.4258 -6.7996 -6.7518 -6.4458 -6.4247 -6.0796 -6.0222 -5.4604 -5.3387 -4.5144 -4.5139 -4.3066 -4.2870 -4.1347 -4.0299 -3.9518 -3.9473 -2.5521 -2.5462 -2.5372 -2.5336 1.7748 1.7765 1.8085 1.8149 2.7666 2.7812 2.8016 2.8232 3.4922 3.5131 3.6506 3.6767 4.0734 4.0821 4.9318 4.9391 5.1550 5.1722 5.5412 5.5469 5.6699 5.6802 5.8822 5.8883 6.9005 6.9056 7.0511 7.0534 8.9456 8.9540 8.9584 8.9678 9.5084 9.5176 9.6199 9.6369 10.4813 10.4838 10.8619 10.8876 k = 0.0000 0.2826-0.0000 ( 5692 PWs) bands (ev): -19.7879 -19.7879 -19.7781 -19.7781 -8.5936 -8.5931 -8.4412 -8.4380 -6.7823 -6.7317 -6.4554 -6.4294 -6.0544 -5.9887 -5.4800 -5.3525 -4.5094 -4.5088 -4.3051 -4.2878 -4.1509 -4.0377 -3.9761 -3.9698 -2.5438 -2.5378 -2.5309 -2.5265 1.7911 1.7921 1.8221 1.8292 2.7366 2.7502 2.7663 2.7878 3.5077 3.5297 3.6603 3.6869 4.1343 4.1419 4.9311 4.9393 5.1276 5.1448 5.4954 5.5002 5.6724 5.6829 5.8808 5.8879 6.8879 6.8935 7.0394 7.0412 8.9897 8.9991 9.0020 9.0115 9.4764 9.4866 9.5868 9.6034 10.4994 10.5021 10.8460 10.8713 k = 0.0000 0.3043-0.0000 ( 5688 PWs) bands (ev): -19.7874 -19.7874 -19.7785 -19.7785 -8.5917 -8.5910 -8.4534 -8.4503 -6.7643 -6.7114 -6.4659 -6.4353 -6.0276 -5.9536 -5.5011 -5.3688 -4.5031 -4.5024 -4.3036 -4.2896 -4.1666 -4.0456 -4.0004 -3.9916 -2.5359 -2.5299 -2.5248 -2.5197 1.8085 1.8087 1.8366 1.8441 2.7062 2.7188 2.7313 2.7525 3.5241 3.5472 3.6684 3.6955 4.1977 4.2043 4.9305 4.9398 5.1021 5.1193 5.4452 5.4489 5.6762 5.6869 5.8764 5.8844 6.8791 6.8850 7.0274 7.0288 9.0326 9.0429 9.0442 9.0538 9.4478 9.4588 9.5559 9.5719 10.5169 10.5197 10.8299 10.8547 k = 0.0000 0.3261-0.0000 ( 5682 PWs) bands (ev): -19.7870 -19.7870 -19.7790 -19.7790 -8.5892 -8.5883 -8.4655 -8.4624 -6.7459 -6.6909 -6.4774 -6.4423 -5.9994 -5.9174 -5.5236 -5.3875 -4.4954 -4.4947 -4.3028 -4.2927 -4.1813 -4.0534 -4.0245 -4.0121 -2.5287 -2.5226 -2.5191 -2.5133 1.8260 1.8265 1.8516 1.8595 2.6761 2.6877 2.6970 2.7178 3.5411 3.5650 3.6748 3.7023 4.2634 4.2691 4.9303 4.9407 5.0784 5.0955 5.3908 5.3935 5.6813 5.6923 5.8693 5.8782 6.8738 6.8798 7.0153 7.0162 9.0736 9.0844 9.0846 9.0937 9.4230 9.4347 9.5277 9.5427 10.5340 10.5372 10.8138 10.8376 k = 0.0000 0.3478-0.0000 ( 5684 PWs) bands (ev): -19.7865 -19.7865 -19.7794 -19.7794 -8.5862 -8.5852 -8.4774 -8.4744 -6.7272 -6.6705 -6.4897 -6.4505 -5.9699 -5.8803 -5.5476 -5.4087 -4.4863 -4.4854 -4.3034 -4.2975 -4.1940 -4.0612 -4.0479 -4.0307 -2.5221 -2.5159 -2.5139 -2.5074 1.8439 1.8448 1.8669 1.8749 2.6468 2.6576 2.6641 2.6842 3.5581 3.5828 3.6794 3.7071 4.3312 4.3360 4.9305 4.9420 5.0568 5.0736 5.3325 5.3342 5.6876 5.6989 5.8599 5.8696 6.8717 6.8779 7.0032 7.0034 9.1119 9.1214 9.1232 9.1304 9.4023 9.4145 9.5024 9.5161 10.5513 10.5548 10.7975 10.8202 k = 0.0000 0.3696-0.0000 ( 5680 PWs) bands (ev): -19.7860 -19.7860 -19.7799 -19.7799 -8.5826 -8.5815 -8.4890 -8.4860 -6.7083 -6.6502 -6.5029 -6.4599 -5.9394 -5.8425 -5.5729 -5.4322 -4.4757 -4.4747 -4.3064 -4.3043 -4.2037 -4.0705 -4.0689 -4.0468 -2.5162 -2.5099 -2.5092 -2.5022 1.8618 1.8630 1.8820 1.8898 2.6191 2.6292 2.6330 2.6524 3.5749 3.6003 3.6820 3.7099 4.4008 4.4049 4.9312 4.9438 5.0371 5.0535 5.2709 5.2716 5.6953 5.7069 5.8486 5.8590 6.8726 6.8787 6.9906 6.9910 9.1466 9.1544 9.1573 9.1631 9.3863 9.3986 9.4804 9.4923 10.5687 10.5728 10.7812 10.8025 k = 0.0000 0.3913-0.0000 ( 5684 PWs) bands (ev): -19.7855 -19.7855 -19.7804 -19.7804 -8.5785 -8.5771 -8.5002 -8.4973 -6.6893 -6.6303 -6.5169 -6.4704 -5.9082 -5.8043 -5.5995 -5.4581 -4.4637 -4.4626 -4.3132 -4.3129 -4.2090 -4.0920 -4.0761 -4.0600 -2.5110 -2.5052 -2.5045 -2.4978 1.8792 1.8806 1.8964 1.9038 2.5936 2.6033 2.6045 2.6229 3.5912 3.6171 3.6827 3.7107 4.4720 4.4755 4.9325 4.9462 5.0193 5.0350 5.2061 5.2066 5.7042 5.7161 5.8360 5.8470 6.8759 6.8819 6.9779 6.9788 9.1767 9.1827 9.1853 9.1914 9.3757 9.3875 9.4617 9.4715 10.5865 10.5913 10.7648 10.7845 k = 0.0000 0.4130-0.0000 ( 5688 PWs) bands (ev): -19.7850 -19.7850 -19.7809 -19.7809 -8.5736 -8.5721 -8.5108 -8.5081 -6.6704 -6.6108 -6.5316 -6.4821 -5.8764 -5.7659 -5.6273 -5.4862 -4.4503 -4.4491 -4.3244 -4.3232 -4.2097 -4.1122 -4.0825 -4.0704 -2.5066 -2.5019 -2.4999 -2.4943 1.8956 1.8968 1.9094 1.9161 2.5713 2.5794 2.5807 2.5968 3.6067 3.6331 3.6814 3.7094 4.5445 4.5475 4.9344 4.9492 5.0035 5.0178 5.1385 5.1405 5.7143 5.7265 5.8223 5.8339 6.8814 6.8871 6.9652 6.9668 9.2010 9.2057 9.2069 9.2141 9.3712 9.3815 9.4461 9.4536 10.6047 10.6103 10.7482 10.7662 k = 0.0000 0.4348-0.0000 ( 5694 PWs) bands (ev): -19.7845 -19.7845 -19.7814 -19.7814 -8.5682 -8.5665 -8.5210 -8.5183 -6.6516 -6.5919 -6.5470 -6.4948 -5.8443 -5.7278 -5.6562 -5.5163 -4.4356 -4.4343 -4.3376 -4.3367 -4.2062 -4.1310 -4.0876 -4.0783 -2.5030 -2.4994 -2.4961 -2.4917 1.9101 1.9109 1.9203 1.9261 2.5528 2.5585 2.5624 2.5746 3.6213 3.6481 3.6781 3.7061 4.6178 4.6204 4.9364 4.9521 4.9894 5.0008 5.0698 5.0749 5.7255 5.7379 5.8080 5.8200 6.8886 6.8940 6.9527 6.9550 9.2192 9.2224 9.2230 9.2298 9.3731 9.3810 9.4332 9.4383 10.6231 10.6298 10.7313 10.7475 k = 0.0000 0.4565-0.0000 ( 5692 PWs) bands (ev): -19.7840 -19.7840 -19.7819 -19.7819 -8.5620 -8.5601 -8.5305 -8.5280 -6.6331 -6.5736 -6.5631 -6.5087 -5.8121 -5.6900 -5.6861 -5.5482 -4.4199 -4.4186 -4.3525 -4.3523 -4.1992 -4.1483 -4.0908 -4.0843 -2.5003 -2.4978 -2.4931 -2.4900 1.9221 1.9221 1.9283 1.9330 2.5390 2.5426 2.5492 2.5574 3.6346 3.6618 3.6729 3.7009 4.6915 4.6939 4.9357 4.9487 4.9762 4.9808 5.0046 5.0200 5.7378 5.7503 5.7935 5.8058 6.8972 6.9022 6.9406 6.9434 9.2316 9.2329 9.2344 9.2387 9.3800 9.3852 9.4220 9.4251 10.6417 10.6496 10.7141 10.7285 k = 0.0000 0.4783-0.0000 ( 5704 PWs) bands (ev): -19.7835 -19.7834 -19.7824 -19.7824 -8.5551 -8.5531 -8.5394 -8.5370 -6.6149 -6.5799 -6.5560 -6.5235 -5.7800 -5.7168 -5.6530 -5.5818 -4.4034 -4.4021 -4.3691 -4.3686 -4.1896 -4.1638 -4.0919 -4.0885 -2.4983 -2.4971 -2.4909 -2.4894 1.9297 1.9307 1.9329 1.9363 2.5307 2.5325 2.5417 2.5459 3.6466 3.6659 3.6740 3.6937 4.7651 4.7675 4.9052 4.9062 4.9614 4.9719 4.9743 4.9936 5.7509 5.7635 5.7789 5.7914 6.9069 6.9114 6.9288 6.9322 9.2388 9.2393 9.2404 9.2424 9.3899 9.3928 9.4114 9.4133 10.6602 10.6696 10.6965 10.7091 k = 0.0000 0.5000-0.0000 ( 5714 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5476 -8.5476 -8.5454 -8.5454 -6.5971 -6.5971 -6.5393 -6.5393 -5.7481 -5.7481 -5.6168 -5.6168 -4.3863 -4.3863 -4.3853 -4.3853 -4.1777 -4.1777 -4.0911 -4.0911 -2.4973 -2.4973 -2.4897 -2.4897 1.9334 1.9334 1.9356 1.9356 2.5284 2.5284 2.5406 2.5406 3.6570 3.6570 3.6847 3.6847 4.8374 4.8374 4.8399 4.8399 4.9630 4.9630 4.9812 4.9812 5.7646 5.7646 5.7772 5.7772 6.9175 6.9175 6.9215 6.9215 9.2417 9.2417 9.2424 9.2424 9.4007 9.4007 9.4025 9.4025 10.6785 10.6785 10.6894 10.6894 k = 0.0000 0.5000-0.0000 ( 5714 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5476 -8.5476 -8.5454 -8.5454 -6.5971 -6.5971 -6.5393 -6.5393 -5.7481 -5.7481 -5.6168 -5.6168 -4.3863 -4.3863 -4.3853 -4.3853 -4.1777 -4.1777 -4.0911 -4.0911 -2.4973 -2.4973 -2.4897 -2.4897 1.9334 1.9334 1.9356 1.9356 2.5284 2.5284 2.5406 2.5406 3.6570 3.6570 3.6847 3.6847 4.8374 4.8374 4.8399 4.8399 4.9630 4.9630 4.9812 4.9812 5.7646 5.7646 5.7772 5.7772 6.9175 6.9175 6.9215 6.9215 9.2417 9.2417 9.2424 9.2424 9.4007 9.4007 9.4025 9.4025 10.6785 10.6785 10.6894 10.6894 k = 0.0217 0.5000-0.0000 ( 5706 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5480 -8.5480 -8.5457 -8.5457 -6.5963 -6.5963 -6.5382 -6.5382 -5.7482 -5.7482 -5.6168 -5.6168 -4.3871 -4.3871 -4.3848 -4.3848 -4.1787 -4.1787 -4.0921 -4.0921 -2.4965 -2.4965 -2.4889 -2.4889 1.9298 1.9298 1.9324 1.9324 2.5320 2.5320 2.5442 2.5442 3.6564 3.6564 3.6841 3.6841 4.8390 4.8390 4.8417 4.8417 4.9630 4.9630 4.9812 4.9812 5.7653 5.7653 5.7778 5.7778 6.9141 6.9141 6.9181 6.9181 9.2345 9.2345 9.2421 9.2421 9.4012 9.4012 9.4096 9.4096 10.6800 10.6800 10.6912 10.6912 k = 0.0435 0.5000-0.0000 ( 5698 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5491 -8.5491 -8.5465 -8.5465 -6.5938 -6.5938 -6.5348 -6.5348 -5.7484 -5.7484 -5.6169 -5.6169 -4.3886 -4.3886 -4.3843 -4.3843 -4.1819 -4.1819 -4.0951 -4.0951 -2.4942 -2.4942 -2.4865 -2.4865 1.9194 1.9194 1.9229 1.9229 2.5423 2.5423 2.5548 2.5548 3.6545 3.6545 3.6821 3.6821 4.8438 4.8438 4.8471 4.8471 4.9629 4.9629 4.9811 4.9811 5.7671 5.7671 5.7793 5.7793 6.9041 6.9041 6.9081 6.9081 9.2211 9.2211 9.2343 9.2343 9.4085 9.4085 9.4232 9.4232 10.6843 10.6843 10.6963 10.6963 k = 0.0652 0.5000-0.0000 ( 5688 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5509 -8.5509 -8.5479 -8.5479 -6.5897 -6.5897 -6.5293 -6.5293 -5.7487 -5.7487 -5.6170 -5.6170 -4.3905 -4.3905 -4.3841 -4.3841 -4.1870 -4.1870 -4.1000 -4.1000 -2.4904 -2.4904 -2.4826 -2.4826 1.9032 1.9032 1.9076 1.9076 2.5588 2.5588 2.5717 2.5717 3.6513 3.6513 3.6788 3.6788 4.8517 4.8517 4.8559 4.8559 4.9628 4.9628 4.9811 4.9811 5.7701 5.7701 5.7819 5.7819 6.8877 6.8877 6.8918 6.8918 9.2036 9.2036 9.2201 9.2201 9.4221 9.4221 9.4408 9.4408 10.6916 10.6916 10.7047 10.7047 k = 0.0870 0.5000-0.0000 ( 5682 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5533 -8.5533 -8.5499 -8.5499 -6.5839 -6.5839 -6.5218 -6.5218 -5.7492 -5.7492 -5.6172 -5.6172 -4.3928 -4.3928 -4.3843 -4.3843 -4.1940 -4.1940 -4.1066 -4.1066 -2.4851 -2.4851 -2.4773 -2.4773 1.8822 1.8822 1.8875 1.8875 2.5806 2.5806 2.5940 2.5940 3.6469 3.6469 3.6741 3.6741 4.8624 4.8624 4.8679 4.8679 4.9628 4.9628 4.9812 4.9812 5.7743 5.7743 5.7854 5.7854 6.8654 6.8654 6.8697 6.8697 9.1830 9.1830 9.2012 9.2012 9.4398 9.4398 9.4607 9.4607 10.7016 10.7016 10.7163 10.7163 k = 0.1087 0.5000-0.0000 ( 5682 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5563 -8.5563 -8.5524 -8.5524 -6.5766 -6.5766 -6.5124 -6.5124 -5.7497 -5.7497 -5.6175 -5.6175 -4.3956 -4.3956 -4.3848 -4.3848 -4.2025 -4.2025 -4.1148 -4.1148 -2.4786 -2.4786 -2.4708 -2.4708 1.8574 1.8574 1.8636 1.8636 2.6068 2.6068 2.6207 2.6207 3.6411 3.6411 3.6681 3.6681 4.8755 4.8755 4.8827 4.8827 4.9631 4.9631 4.9817 4.9817 5.7796 5.7796 5.7899 5.7899 6.8375 6.8375 6.8423 6.8423 9.1604 9.1604 9.1792 9.1792 9.4597 9.4597 9.4816 9.4816 10.7144 10.7144 10.7308 10.7308 k = 0.1304 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5597 -8.5597 -8.5554 -8.5554 -6.5678 -6.5678 -6.5014 -6.5014 -5.7502 -5.7502 -5.6180 -5.6180 -4.3989 -4.3989 -4.3859 -4.3859 -4.2123 -4.2123 -4.1244 -4.1244 -2.4709 -2.4709 -2.4630 -2.4630 1.8299 1.8299 1.8369 1.8369 2.6364 2.6364 2.6508 2.6508 3.6340 3.6340 3.6607 3.6607 4.8903 4.8903 4.8997 4.8997 4.9643 4.9643 4.9831 4.9831 5.7860 5.7860 5.7952 5.7952 6.8050 6.8050 6.8103 6.8103 9.1363 9.1363 9.1551 9.1551 9.4801 9.4801 9.5024 9.5024 10.7299 10.7299 10.7481 10.7481 k = 0.1522 0.5000-0.0000 ( 5700 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5635 -8.5635 -8.5589 -8.5589 -6.5575 -6.5575 -6.4890 -6.4890 -5.7507 -5.7507 -5.6186 -5.6186 -4.4027 -4.4027 -4.3876 -4.3876 -4.2230 -4.2230 -4.1351 -4.1351 -2.4623 -2.4623 -2.4543 -2.4543 1.8006 1.8006 1.8082 1.8082 2.6688 2.6688 2.6837 2.6837 3.6256 3.6256 3.6518 3.6518 4.9052 4.9052 4.9174 4.9174 4.9677 4.9677 4.9865 4.9865 5.7932 5.7932 5.8014 5.8014 6.7683 6.7683 6.7744 6.7744 9.1116 9.1116 9.1299 9.1299 9.4996 9.4996 9.5218 9.5218 10.7481 10.7481 10.7680 10.7680 k = 0.1739 0.5000-0.0000 ( 5700 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5676 -8.5676 -8.5627 -8.5627 -6.5460 -6.5460 -6.4754 -6.4754 -5.7511 -5.7511 -5.6195 -5.6195 -4.4071 -4.4071 -4.3901 -4.3901 -4.2342 -4.2342 -4.1466 -4.1466 -2.4528 -2.4528 -2.4449 -2.4449 1.7703 1.7703 1.7784 1.7784 2.7032 2.7032 2.7186 2.7186 3.6157 3.6157 3.6416 3.6416 4.9181 4.9181 4.9326 4.9326 4.9764 4.9764 4.9937 4.9937 5.8010 5.8010 5.8084 5.8084 6.7283 6.7283 6.7354 6.7354 9.0867 9.0867 9.1044 9.1044 9.5168 9.5168 9.5387 9.5387 10.7688 10.7688 10.7905 10.7905 k = 0.1957 0.5000-0.0000 ( 5702 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5720 -8.5720 -8.5669 -8.5669 -6.5332 -6.5332 -6.4610 -6.4610 -5.7513 -5.7513 -5.6207 -5.6207 -4.4121 -4.4121 -4.3936 -4.3936 -4.2454 -4.2454 -4.1587 -4.1587 -2.4426 -2.4426 -2.4348 -2.4348 1.7396 1.7396 1.7480 1.7480 2.7394 2.7394 2.7551 2.7551 3.6044 3.6044 3.6299 3.6299 4.9266 4.9266 4.9413 4.9413 4.9938 4.9938 5.0071 5.0071 5.8091 5.8091 5.8161 5.8161 6.6857 6.6857 6.6939 6.6939 9.0623 9.0623 9.0794 9.0794 9.5307 9.5307 9.5520 9.5520 10.7922 10.7922 10.8155 10.8155 k = 0.2174 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5764 -8.5764 -8.5713 -8.5713 -6.5195 -6.5195 -6.4461 -6.4461 -5.7513 -5.7513 -5.6223 -5.6223 -4.4178 -4.4178 -4.3983 -4.3983 -4.2561 -4.2561 -4.1711 -4.1711 -2.4321 -2.4321 -2.4244 -2.4244 1.7090 1.7090 1.7177 1.7177 2.7767 2.7767 2.7929 2.7929 3.5916 3.5916 3.6167 3.6167 4.9305 4.9305 4.9444 4.9444 5.0184 5.0184 5.0270 5.0270 5.8172 5.8172 5.8245 5.8245 6.6413 6.6413 6.6508 6.6508 9.0390 9.0390 9.0554 9.0554 9.5404 9.5404 9.5609 9.5609 10.8180 10.8180 10.8428 10.8428 k = 0.2391 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5809 -8.5809 -8.5758 -8.5758 -6.5049 -6.5049 -6.4309 -6.4309 -5.7510 -5.7510 -5.6242 -5.6242 -4.4240 -4.4240 -4.4043 -4.4043 -4.2658 -4.2658 -4.1834 -4.1834 -2.4213 -2.4213 -2.4138 -2.4138 1.6791 1.6791 1.6878 1.6878 2.8150 2.8150 2.8315 2.8315 3.5773 3.5773 3.6019 3.6019 4.9314 4.9314 4.9444 4.9444 5.0470 5.0470 5.0521 5.0521 5.8249 5.8249 5.8333 5.8333 6.5959 6.5959 6.6067 6.6067 9.0174 9.0174 9.0331 9.0331 9.5453 9.5453 9.5650 9.5650 10.8460 10.8460 10.8720 10.8720 k = 0.2609 0.5000-0.0000 ( 5680 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5854 -8.5854 -8.5803 -8.5803 -6.4897 -6.4897 -6.4159 -6.4159 -5.7502 -5.7502 -5.6267 -5.6267 -4.4309 -4.4309 -4.4117 -4.4117 -4.2741 -4.2741 -4.1955 -4.1955 -2.4105 -2.4105 -2.4033 -2.4033 1.6503 1.6503 1.6589 1.6589 2.8539 2.8539 2.8707 2.8707 3.5615 3.5615 3.5857 3.5857 4.9306 4.9306 4.9428 4.9428 5.0778 5.0778 5.0806 5.0806 5.8320 5.8320 5.8421 5.8421 6.5502 6.5502 6.5624 6.5624 8.9980 8.9980 9.0130 9.0130 9.5451 9.5451 9.5639 9.5639 10.8760 10.8760 10.9028 10.9028 k = 0.2826 0.5000-0.0000 ( 5682 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5898 -8.5898 -8.5848 -8.5848 -6.4741 -6.4741 -6.4014 -6.4014 -5.7488 -5.7488 -5.6297 -5.6297 -4.4382 -4.4382 -4.4203 -4.4203 -4.2808 -4.2808 -4.2071 -4.2071 -2.3998 -2.3998 -2.3930 -2.3930 1.6228 1.6228 1.6313 1.6313 2.8932 2.8932 2.9102 2.9102 3.5441 3.5441 3.5678 3.5678 4.9289 4.9289 4.9402 4.9402 5.1097 5.1097 5.1120 5.1120 5.8382 5.8382 5.8505 5.8505 6.5050 6.5050 6.5185 6.5185 8.9811 8.9811 8.9954 8.9954 9.5401 9.5401 9.5579 9.5579 10.9075 10.9075 10.9347 10.9347 k = 0.3043 0.5000-0.0000 ( 5676 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5939 -8.5939 -8.5892 -8.5892 -6.4582 -6.4582 -6.3878 -6.3878 -5.7468 -5.7468 -5.6334 -5.6334 -4.4460 -4.4460 -4.4300 -4.4300 -4.2858 -4.2858 -4.2181 -4.2181 -2.3895 -2.3895 -2.3831 -2.3831 1.5972 1.5972 1.6052 1.6052 2.9327 2.9327 2.9500 2.9500 3.5252 3.5252 3.5484 3.5484 4.9266 4.9266 4.9371 4.9371 5.1419 5.1419 5.1453 5.1453 5.8432 5.8432 5.8579 5.8579 6.4611 6.4611 6.4759 6.4759 8.9670 8.9670 8.9806 8.9806 9.5306 9.5306 9.5473 9.5473 10.9397 10.9397 10.9670 10.9670 k = 0.3261 0.5000-0.0000 ( 5668 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.5978 -8.5978 -8.5934 -8.5934 -6.4424 -6.4424 -6.3753 -6.3753 -5.7441 -5.7441 -5.6377 -5.6377 -4.4539 -4.4539 -4.4402 -4.4402 -4.2893 -4.2893 -4.2282 -4.2282 -2.3797 -2.3797 -2.3738 -2.3738 1.5735 1.5735 1.5811 1.5811 2.9722 2.9722 2.9896 2.9896 3.5047 3.5047 3.5273 3.5273 4.9242 4.9242 4.9336 4.9336 5.1746 5.1746 5.1792 5.1792 5.8467 5.8467 5.8636 5.8636 6.4194 6.4194 6.4353 6.4353 8.9559 8.9559 8.9687 8.9687 9.5173 9.5173 9.5329 9.5329 10.9722 10.9722 10.9990 10.9990 k = 0.3478 0.5000-0.0000 ( 5676 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.6014 -8.6014 -8.5974 -8.5974 -6.4269 -6.4269 -6.3643 -6.3643 -5.7405 -5.7405 -5.6427 -5.6427 -4.4618 -4.4618 -4.4505 -4.4505 -4.2914 -4.2914 -4.2376 -4.2376 -2.3706 -2.3706 -2.3652 -2.3652 1.5521 1.5521 1.5591 1.5591 3.0115 3.0115 3.0291 3.0291 3.4826 3.4826 3.5047 3.5047 4.9216 4.9216 4.9301 4.9301 5.2072 5.2072 5.2129 5.2129 5.8485 5.8485 5.8673 5.8673 6.3808 6.3808 6.3974 6.3974 8.9479 8.9479 8.9597 8.9597 9.5012 9.5012 9.5156 9.5156 11.0040 11.0040 11.0299 11.0299 k = 0.3696 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.7828 -19.7828 -19.7828 -19.7828 -8.6045 -8.6045 -8.6010 -8.6010 -6.4120 -6.4120 -6.3552 -6.3552 -5.7361 -5.7361 -5.6483 -5.6483 -4.4694 -4.4694 -4.4605 -4.4605 -4.2924 -4.2924 -4.2461 -4.2461 -2.3623 -2.3623 -2.3576 -2.3576 1.5333 1.5333 1.5395 1.5395 3.0504 3.0504 3.0680 3.0680 3.4591 3.4591 3.4806 3.4806 4.9192 4.9192 4.9266 4.9266 5.2391 5.2391 5.2456 5.2456 5.8484 5.8484 5.8683 5.8683 6.3463 6.3463 6.3630 6.3630 8.9426 8.9426 8.9535 8.9535 9.4836 9.4836 9.4966 9.4966 11.0345 11.0345 11.0589 11.0589 k = 0.3913 0.5000-0.0000 ( 5680 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6072 -8.6072 -8.6042 -8.6042 -6.3978 -6.3978 -6.3481 -6.3481 -5.7308 -5.7308 -5.6547 -5.6547 -4.4765 -4.4765 -4.4696 -4.4696 -4.2923 -4.2923 -4.2538 -4.2538 -2.3549 -2.3549 -2.3510 -2.3510 1.5171 1.5171 1.5224 1.5224 3.0886 3.0886 3.1063 3.1063 3.4342 3.4342 3.4551 3.4551 4.9171 4.9171 4.9232 4.9232 5.2695 5.2695 5.2764 5.2764 5.8466 5.8466 5.8666 5.8666 6.3167 6.3167 6.3328 6.3328 8.9399 8.9399 8.9496 8.9496 9.4655 9.4655 9.4770 9.4770 11.0629 11.0629 11.0850 11.0850 k = 0.4130 0.5000-0.0000 ( 5688 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6094 -8.6094 -8.6070 -8.6070 -6.3846 -6.3846 -6.3432 -6.3432 -5.7246 -5.7246 -5.6617 -5.6617 -4.4827 -4.4827 -4.4777 -4.4777 -4.2914 -4.2914 -4.2607 -4.2607 -2.3487 -2.3487 -2.3455 -2.3455 1.5037 1.5037 1.5081 1.5081 3.1258 3.1258 3.1435 3.1435 3.4081 3.4081 3.4283 3.4283 4.9152 4.9152 4.9202 4.9202 5.2975 5.2975 5.3042 5.3042 5.8435 5.8435 5.8623 5.8623 6.2927 6.2927 6.3072 6.3072 8.9393 8.9393 8.9475 8.9475 9.4484 9.4484 9.4581 9.4581 11.0883 11.0883 11.1074 11.1074 k = 0.4348 0.5000-0.0000 ( 5696 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6111 -8.6111 -8.6092 -8.6092 -6.3727 -6.3727 -6.3406 -6.3406 -5.7177 -5.7177 -5.6693 -5.6693 -4.4877 -4.4877 -4.4842 -4.4842 -4.2898 -4.2898 -4.2668 -4.2668 -2.3437 -2.3437 -2.3412 -2.3412 1.4933 1.4933 1.4967 1.4967 3.1617 3.1617 3.1790 3.1790 3.3814 3.3814 3.4006 3.4006 4.9139 4.9139 4.9176 4.9176 5.3217 5.3217 5.3277 5.3277 5.8399 5.8399 5.8559 5.8559 6.2747 6.2747 6.2867 6.2867 8.9402 8.9402 8.9467 8.9467 9.4336 9.4336 9.4413 9.4413 11.1100 11.1100 11.1253 11.1253 k = 0.4565 0.5000-0.0000 ( 5700 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6122 -8.6122 -8.6110 -8.6110 -6.3624 -6.3624 -6.3405 -6.3405 -5.7102 -5.7102 -5.6772 -5.6772 -4.4914 -4.4914 -4.4892 -4.4892 -4.2875 -4.2875 -4.2722 -4.2722 -2.3399 -2.3399 -2.3382 -2.3382 1.4860 1.4860 1.4883 1.4883 3.1955 3.1955 3.2115 3.2115 3.3553 3.3553 3.3727 3.3727 4.9130 4.9130 4.9155 4.9155 5.3410 5.3410 5.3455 5.3455 5.8370 5.8370 5.8488 5.8488 6.2628 6.2628 6.2713 6.2713 8.9419 8.9419 8.9464 8.9464 9.4224 9.4224 9.4277 9.4277 11.1271 11.1271 11.1378 11.1378 k = 0.4783 0.5000-0.0000 ( 5696 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6128 -8.6128 -8.6122 -8.6122 -6.3538 -6.3538 -6.3427 -6.3427 -5.7022 -5.7022 -5.6855 -5.6855 -4.4935 -4.4935 -4.4924 -4.4924 -4.2846 -4.2846 -4.2769 -4.2769 -2.3374 -2.3374 -2.3366 -2.3366 1.4818 1.4818 1.4830 1.4830 3.2249 3.2249 3.2368 3.2368 3.3341 3.3341 3.3466 3.3466 4.9127 4.9127 4.9140 4.9140 5.3538 5.3538 5.3562 5.3562 5.8360 5.8360 5.8422 5.8422 6.2567 6.2567 6.2611 6.2611 8.9437 8.9437 8.9460 8.9460 9.4158 9.4158 9.4185 9.4185 11.1389 11.1389 11.1445 11.1445 k = 0.5000 0.5000-0.0000 ( 5708 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6128 -8.6128 -8.6128 -8.6128 -6.3472 -6.3472 -6.3472 -6.3472 -5.6939 -5.6939 -5.6939 -5.6939 -4.4939 -4.4939 -4.4939 -4.4939 -4.2811 -4.2811 -4.2811 -4.2811 -2.3363 -2.3363 -2.3363 -2.3363 1.4808 1.4808 1.4808 1.4808 3.2429 3.2429 3.2429 3.2429 3.3295 3.3295 3.3295 3.3295 4.9130 4.9130 4.9130 4.9130 5.3591 5.3591 5.3591 5.3591 5.8377 5.8377 5.8377 5.8377 6.2562 6.2562 6.2562 6.2562 8.9451 8.9451 8.9451 8.9451 9.4145 9.4145 9.4145 9.4145 11.1448 11.1448 11.1448 11.1448 k = 0.5000 0.5000-0.0000 ( 5708 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6128 -8.6128 -8.6128 -8.6128 -6.3472 -6.3472 -6.3472 -6.3472 -5.6939 -5.6939 -5.6939 -5.6939 -4.4939 -4.4939 -4.4939 -4.4939 -4.2811 -4.2811 -4.2811 -4.2811 -2.3363 -2.3363 -2.3363 -2.3363 1.4808 1.4808 1.4808 1.4808 3.2429 3.2429 3.2429 3.2429 3.3295 3.3295 3.3295 3.3295 4.9130 4.9130 4.9130 4.9130 5.3591 5.3591 5.3591 5.3591 5.8377 5.8377 5.8377 5.8377 6.2562 6.2562 6.2562 6.2562 8.9451 8.9451 8.9451 8.9451 9.4145 9.4145 9.4145 9.4145 11.1448 11.1448 11.1448 11.1448 k = 0.4848 0.4848-0.0000 ( 5696 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6129 -8.6128 -8.6122 -8.6120 -6.3566 -6.3487 -6.3462 -6.3413 -5.7041 -5.6959 -5.6946 -5.6808 -4.4943 -4.4940 -4.4923 -4.4915 -4.2855 -4.2829 -4.2792 -4.2755 -2.3374 -2.3374 -2.3367 -2.3364 1.4807 1.4817 1.4832 1.4839 3.2181 3.2220 3.2441 3.2444 3.3274 3.3275 3.3485 3.3529 4.9125 4.9130 4.9134 4.9143 5.3490 5.3521 5.3591 5.3604 5.8355 5.8372 5.8394 5.8443 6.2566 6.2573 6.2579 6.2634 8.9419 8.9439 8.9467 8.9469 9.4150 9.4164 9.4172 9.4198 11.1383 11.1404 11.1427 11.1457 k = 0.4697 0.4697-0.0000 ( 5700 PWs) bands (ev): -19.7828 -19.7828 -19.7827 -19.7827 -8.6128 -8.6127 -8.6108 -8.6102 -6.3693 -6.3510 -6.3458 -6.3391 -5.7116 -5.7000 -5.6983 -5.6650 -4.4949 -4.4943 -4.4870 -4.4854 -4.2888 -4.2846 -4.2774 -4.2688 -2.3399 -2.3397 -2.3385 -2.3377 1.4815 1.4835 1.4907 1.4922 3.1755 3.1803 3.2422 3.2434 3.3273 3.3279 3.3840 3.3900 4.9126 4.9133 4.9144 4.9166 5.3233 5.3288 5.3605 5.3630 5.8358 5.8372 5.8436 5.8540 6.2599 6.2606 6.2675 6.2784 8.9351 8.9391 8.9510 8.9512 9.4189 9.4213 9.4269 9.4322 11.1264 11.1296 11.1343 11.1408 k = 0.4545 0.4545-0.0000 ( 5696 PWs) bands (ev): -19.7829 -19.7829 -19.7826 -19.7826 -8.6126 -8.6125 -8.6083 -8.6075 -6.3848 -6.3545 -6.3458 -6.3402 -5.7184 -5.7049 -5.7040 -5.6470 -4.4959 -4.4949 -4.4782 -4.4755 -4.2910 -4.2863 -4.2756 -4.2609 -2.3439 -2.3434 -2.3415 -2.3402 1.4831 1.4861 1.5035 1.5056 3.1273 3.1322 3.2392 3.2413 3.3274 3.3285 3.4222 3.4287 4.9130 4.9138 4.9163 4.9197 5.2849 5.2917 5.3631 5.3669 5.8365 5.8372 5.8507 5.8645 6.2652 6.2662 6.2859 6.3006 8.9255 8.9311 8.9581 8.9582 9.4256 9.4291 9.4431 9.4505 11.1098 11.1126 11.1199 11.1308 k = 0.4394 0.4394-0.0000 ( 5696 PWs) bands (ev): -19.7830 -19.7830 -19.7825 -19.7825 -8.6123 -8.6122 -8.6049 -8.6037 -6.4028 -6.3600 -6.3463 -6.3438 -5.7277 -5.7143 -5.7047 -5.6272 -4.4971 -4.4959 -4.4660 -4.4621 -4.2922 -4.2876 -4.2737 -4.2519 -2.3493 -2.3484 -2.3458 -2.3438 1.4856 1.4895 1.5212 1.5240 3.0766 3.0813 3.2353 3.2381 3.3277 3.3292 3.4595 3.4663 4.9136 4.9145 4.9192 4.9239 5.2365 5.2438 5.3672 5.3720 5.8372 5.8373 5.8589 5.8736 6.2729 6.2742 6.3122 6.3291 8.9141 8.9208 8.9677 8.9677 9.4351 9.4396 9.4642 9.4733 11.0886 11.0895 11.1004 11.1163 k = 0.4242 0.4242-0.0000 ( 5690 PWs) bands (ev): -19.7832 -19.7832 -19.7823 -19.7823 -8.6119 -8.6118 -8.6004 -8.5990 -6.4228 -6.3688 -6.3483 -6.3471 -5.7404 -5.7263 -5.7008 -5.6060 -4.4986 -4.4972 -4.4508 -4.4454 -4.2930 -4.2881 -4.2719 -4.2419 -2.3559 -2.3547 -2.3512 -2.3485 1.4890 1.4937 1.5437 1.5471 3.0246 3.0290 3.2304 3.2339 3.3281 3.3300 3.4948 3.5016 4.9143 4.9154 4.9231 4.9290 5.1807 5.1880 5.3725 5.3785 5.8373 5.8377 5.8665 5.8800 6.2833 6.2849 6.3454 6.3630 8.9018 8.9094 8.9794 8.9797 9.4472 9.4525 9.4886 9.4991 11.0605 11.0623 11.0778 11.0986 k = 0.4091 0.4091-0.0000 ( 5682 PWs) bands (ev): -19.7834 -19.7834 -19.7821 -19.7821 -8.6114 -8.6114 -8.5949 -8.5932 -6.4444 -6.3817 -6.3525 -6.3484 -5.7559 -5.7408 -5.6932 -5.5839 -4.5003 -4.4988 -4.4330 -4.4258 -4.2938 -4.2871 -4.2700 -4.2308 -2.3637 -2.3622 -2.3576 -2.3543 1.4931 1.4988 1.5707 1.5744 2.9718 2.9759 3.2247 3.2287 3.3287 3.3310 3.5276 3.5344 4.9151 4.9164 4.9280 4.9351 5.1196 5.1265 5.3791 5.3862 5.8371 5.8381 5.8725 5.8833 6.2965 6.2985 6.3841 6.4013 8.8895 8.8975 8.9930 8.9936 9.4616 9.4677 9.5147 9.5262 11.0258 11.0301 11.0540 11.0787 k = 0.3939 0.3939-0.0000 ( 5682 PWs) bands (ev): -19.7836 -19.7836 -19.7819 -19.7819 -8.6109 -8.6109 -8.5885 -8.5865 -6.4673 -6.3982 -6.3564 -6.3500 -5.7736 -5.7575 -5.6828 -5.5613 -4.5021 -4.5006 -4.4130 -4.4035 -4.2947 -4.2845 -4.2679 -4.2187 -2.3726 -2.3709 -2.3650 -2.3611 1.4980 1.5045 1.6016 1.6057 2.9188 2.9227 3.2181 3.2227 3.3294 3.3322 3.5577 3.5643 4.9158 4.9175 4.9339 4.9421 5.0544 5.0608 5.3870 5.3952 5.8366 5.8384 5.8764 5.8837 6.3128 6.3152 6.4268 6.4428 8.8777 8.8860 9.0082 9.0092 9.4781 9.4847 9.5408 9.5530 10.9856 10.9920 11.0304 11.0577 k = 0.3788 0.3788-0.0000 ( 5682 PWs) bands (ev): -19.7838 -19.7838 -19.7817 -19.7817 -8.6103 -8.6103 -8.5812 -8.5790 -6.4911 -6.4176 -6.3603 -6.3519 -5.7930 -5.7760 -5.6699 -5.5385 -4.5041 -4.5026 -4.3913 -4.3793 -4.2954 -4.2805 -4.2655 -4.2057 -2.3823 -2.3805 -2.3733 -2.3689 1.5037 1.5110 1.6360 1.6403 2.8661 2.8700 3.2107 3.2157 3.3304 3.3335 3.5848 3.5912 4.9164 4.9186 4.9408 4.9500 4.9865 4.9927 5.3962 5.4054 5.8359 5.8385 5.8781 5.8817 6.3321 6.3350 6.4722 6.4866 8.8668 8.8753 9.0245 9.0261 9.4963 9.5033 9.5653 9.5779 10.9403 10.9485 11.0074 11.0366 k = 0.3636 0.3636-0.0000 ( 5682 PWs) bands (ev): -19.7841 -19.7841 -19.7815 -19.7815 -8.6097 -8.6097 -8.5730 -8.5705 -6.5156 -6.4392 -6.3641 -6.3541 -5.8138 -5.7962 -5.6552 -5.5158 -4.5061 -4.5048 -4.3687 -4.3539 -4.2951 -4.2750 -4.2623 -4.1917 -2.3928 -2.3910 -2.3825 -2.3777 1.5101 1.5182 1.6732 1.6776 2.8144 2.8183 3.2026 3.2079 3.3315 3.3350 3.6090 3.6149 4.9115 4.9149 4.9210 4.9275 4.9494 4.9594 5.4066 5.4167 5.8350 5.8386 5.8776 5.8778 6.3547 6.3579 6.5192 6.5318 8.8571 8.8656 9.0418 9.0439 9.5159 9.5232 9.5866 9.5995 10.8906 10.9005 10.9857 11.0162 k = 0.3485 0.3485-0.0000 ( 5678 PWs) bands (ev): -19.7844 -19.7844 -19.7812 -19.7812 -8.6090 -8.6090 -8.5640 -8.5613 -6.5405 -6.4627 -6.3680 -6.3565 -5.8358 -5.8178 -5.6391 -5.4936 -4.5083 -4.5070 -4.3462 -4.3301 -4.2914 -4.2683 -4.2578 -4.1769 -2.4039 -2.4021 -2.3925 -2.3874 1.5173 1.5260 1.7125 1.7168 2.7644 2.7683 3.1938 3.1994 3.3328 3.3367 3.6300 3.6356 4.8445 4.8480 4.9204 4.9212 4.9584 4.9694 5.4182 5.4292 5.8341 5.8387 5.8719 5.8758 6.3803 6.3840 6.5670 6.5777 8.8487 8.8570 9.0597 9.0622 9.5366 9.5440 9.6034 9.6164 10.8374 10.8488 10.9657 10.9971 k = 0.3333 0.3333-0.0000 ( 5678 PWs) bands (ev): -19.7847 -19.7847 -19.7809 -19.7809 -8.6083 -8.6083 -8.5541 -8.5513 -6.5656 -6.4874 -6.3719 -6.3591 -5.8587 -5.8405 -5.6220 -5.4721 -4.5105 -4.5093 -4.3255 -4.3154 -4.2772 -4.2602 -4.2506 -4.1613 -2.4155 -2.4138 -2.4032 -2.3979 1.5251 1.5344 1.7530 1.7569 2.7168 2.7209 3.1845 3.1903 3.3344 3.3386 3.6480 3.6530 4.7722 4.7758 4.9212 4.9225 4.9686 4.9806 5.4309 5.4428 5.8332 5.8389 5.8648 5.8723 6.4089 6.4129 6.6148 6.6236 8.8414 8.8495 9.0779 9.0807 9.5578 9.5654 9.6143 9.6272 10.7820 10.7947 10.9478 10.9800 k = 0.3182 0.3182-0.0000 ( 5678 PWs) bands (ev): -19.7851 -19.7851 -19.7806 -19.7806 -8.6076 -8.6075 -8.5436 -8.5406 -6.5908 -6.5131 -6.3758 -6.3619 -5.8821 -5.8640 -5.6043 -5.4514 -4.5126 -4.5115 -4.3112 -4.3089 -4.2523 -4.2499 -4.2388 -4.1448 -2.4274 -2.4258 -2.4146 -2.4091 1.5334 1.5433 1.7935 1.7968 2.6727 2.6772 3.1747 3.1805 3.3362 3.3408 3.6628 3.6672 4.6996 4.7030 4.9223 4.9237 4.9801 4.9929 5.4446 5.4575 5.8325 5.8393 5.8569 5.8674 6.4402 6.4446 6.6620 6.6692 8.8351 8.8429 9.0961 9.0991 9.5787 9.5871 9.6189 9.6308 10.7261 10.7396 10.9323 10.9651 k = 0.3030 0.3030-0.0000 ( 5678 PWs) bands (ev): -19.7854 -19.7854 -19.7803 -19.7803 -8.6069 -8.6068 -8.5324 -8.5293 -6.6158 -6.5394 -6.3797 -6.3648 -5.9061 -5.8882 -5.5861 -5.4318 -4.5147 -4.5137 -4.3105 -4.2977 -4.2408 -4.2215 -4.2206 -4.1275 -2.4394 -2.4382 -2.4266 -2.4210 1.5424 1.5527 1.8325 1.8351 2.6333 2.6384 3.1645 3.1703 3.3382 3.3432 3.6745 3.6784 4.6270 4.6304 4.9236 4.9248 4.9929 5.0064 5.4594 5.4731 5.8320 5.8399 5.8482 5.8616 6.4740 6.4787 6.7082 6.7138 8.8294 8.8367 9.1142 9.1171 9.5956 9.6084 9.6197 9.6269 10.6715 10.6855 10.9195 10.9529 k = 0.2879 0.2879-0.0000 ( 5670 PWs) bands (ev): -19.7858 -19.7858 -19.7799 -19.7799 -8.6061 -8.6060 -8.5207 -8.5174 -6.6406 -6.5660 -6.3836 -6.3678 -5.9302 -5.9128 -5.5678 -5.4133 -4.5167 -4.5158 -4.3107 -4.2912 -4.2292 -4.2000 -4.1885 -4.1092 -2.4516 -2.4507 -2.4390 -2.4334 1.5518 1.5625 1.8682 1.8698 2.6004 2.6062 3.1540 3.1596 3.3406 3.3459 3.6832 3.6864 4.5548 4.5582 4.9249 4.9260 5.0071 5.0213 5.4750 5.4897 5.8313 5.8394 5.8404 5.8553 6.5100 6.5150 6.7530 6.7573 8.8239 8.8307 9.1319 9.1342 9.5931 9.6123 9.6316 9.6321 10.6200 10.6339 10.9096 10.9434 k = 0.2727 0.2727-0.0000 ( 5682 PWs) bands (ev): -19.7862 -19.7862 -19.7796 -19.7796 -8.6054 -8.6053 -8.5084 -8.5050 -6.6649 -6.5927 -6.3874 -6.3709 -5.9543 -5.9376 -5.5495 -5.3961 -4.5185 -4.5177 -4.3113 -4.2876 -4.2168 -4.1764 -4.1558 -4.0899 -2.4637 -2.4633 -2.4517 -2.4463 1.5616 1.5727 1.8986 1.8990 2.5756 2.5823 3.1433 3.1486 3.3433 3.3490 3.6889 3.6915 4.4834 4.4869 4.9264 4.9271 5.0227 5.0376 5.4915 5.5070 5.8271 5.8341 5.8401 5.8493 6.5480 6.5532 6.7961 6.7991 8.8181 8.8242 9.1486 9.1499 9.5743 9.5925 9.6519 9.6532 10.5731 10.5864 10.9026 10.9367 k = 0.2576 0.2576-0.0000 ( 5680 PWs) bands (ev): -19.7866 -19.7866 -19.7792 -19.7792 -8.6046 -8.6045 -8.4958 -8.4923 -6.6887 -6.6192 -6.3911 -6.3740 -5.9783 -5.9624 -5.5314 -5.3802 -4.5202 -4.5195 -4.3119 -4.2856 -4.2034 -4.1526 -4.1228 -4.0693 -2.4758 -2.4757 -2.4645 -2.4596 1.5718 1.5831 1.9207 1.9216 2.5610 2.5685 3.1326 3.1375 3.3465 3.3525 3.6917 3.6938 4.4130 4.4167 4.9278 4.9282 5.0400 5.0554 5.5085 5.5250 5.8180 5.8336 5.8362 5.8465 6.5876 6.5930 6.8372 6.8391 8.8117 8.8170 9.1629 9.1635 9.5476 9.5662 9.6735 9.6746 10.5317 10.5441 10.8985 10.9328 k = 0.2424 0.2424-0.0000 ( 5679 PWs) bands (ev): -19.7870 -19.7870 -19.7789 -19.7789 -8.6039 -8.6038 -8.4828 -8.4793 -6.7118 -6.6454 -6.3947 -6.3770 -6.0019 -5.9871 -5.5136 -5.3658 -4.5218 -4.5211 -4.3125 -4.2846 -4.1893 -4.1297 -4.0900 -4.0475 -2.4884 -2.4875 -2.4774 -2.4730 1.5823 1.5937 1.9333 1.9354 2.5580 2.5663 3.1219 3.1262 3.3500 3.3564 3.6917 3.6933 4.3438 4.3478 4.9293 4.9293 5.0590 5.0749 5.5261 5.5435 5.8083 5.8293 5.8337 5.8464 6.6284 6.6340 6.8759 6.8770 8.8041 8.8084 9.1713 9.1745 9.5174 9.5370 9.6954 9.6958 10.4963 10.5074 10.8971 10.9317 k = 0.2273 0.2273-0.0000 ( 5683 PWs) bands (ev): -19.7873 -19.7873 -19.7785 -19.7785 -8.6032 -8.6031 -8.4697 -8.4662 -6.7342 -6.6712 -6.3981 -6.3800 -6.0251 -6.0114 -5.4962 -5.3528 -4.5231 -4.5225 -4.3130 -4.2842 -4.1746 -4.1084 -4.0575 -4.0244 -2.5009 -2.4991 -2.4900 -2.4865 1.5930 1.6044 1.9362 1.9394 2.5671 2.5757 3.1113 3.1150 3.3541 3.3609 3.6892 3.6903 4.2762 4.2806 4.9303 4.9307 5.0797 5.0962 5.5439 5.5624 5.7985 5.8215 5.8337 5.8468 6.6703 6.6759 6.9122 6.9125 8.7950 8.7982 9.1716 9.1781 9.4890 9.5103 9.7169 9.7174 10.4666 10.4762 10.8984 10.9330 k = 0.2121 0.2121-0.0000 ( 5675 PWs) bands (ev): -19.7877 -19.7877 -19.7782 -19.7782 -8.6025 -8.6024 -8.4564 -8.4529 -6.7557 -6.6962 -6.4012 -6.3829 -6.0476 -6.0352 -5.4794 -5.3413 -4.5241 -4.5236 -4.3133 -4.2842 -4.1594 -4.0889 -4.0258 -4.0002 -2.5135 -2.5105 -2.5022 -2.4998 1.6037 1.6151 1.9303 1.9342 2.5873 2.5959 3.1011 3.1040 3.3587 3.3659 3.6843 3.6850 4.2104 4.2153 4.9314 4.9321 5.1024 5.1192 5.5618 5.5814 5.7891 5.8138 5.8332 5.8468 6.7127 6.7184 6.9455 6.9458 8.7842 8.7863 9.1595 9.1690 9.4697 9.4923 9.7380 9.7393 10.4421 10.4501 10.9021 10.9365 k = 0.1970 0.1970-0.0000 ( 5667 PWs) bands (ev): -19.7881 -19.7881 -19.7779 -19.7779 -8.6019 -8.6018 -8.4432 -8.4398 -6.7762 -6.7205 -6.4042 -6.3857 -6.0693 -6.0583 -5.4631 -5.3313 -4.5250 -4.5246 -4.3135 -4.2846 -4.1439 -4.0712 -3.9950 -3.9755 -2.5261 -2.5218 -2.5136 -2.5126 1.6145 1.6257 1.9172 1.9215 2.6167 2.6249 3.0913 3.0932 3.3640 3.3716 3.6771 3.6775 4.1465 4.1520 4.9323 4.9334 5.1271 5.1442 5.5795 5.6003 5.7802 5.8064 5.8319 5.8459 6.7555 6.7611 6.9757 6.9766 8.7715 8.7724 9.1319 9.1434 9.4654 9.4881 9.7590 9.7613 10.4217 10.4281 10.9077 10.9419 k = 0.1818 0.1818-0.0000 ( 5669 PWs) bands (ev): -19.7885 -19.7884 -19.7775 -19.7775 -8.6013 -8.6012 -8.4302 -8.4268 -6.7956 -6.7438 -6.4068 -6.3884 -6.0902 -6.0805 -5.4475 -5.3227 -4.5257 -4.5253 -4.3135 -4.2852 -4.1283 -4.0554 -3.9654 -3.9507 -2.5386 -2.5335 -2.5244 -2.5243 1.6251 1.6360 1.8990 1.9034 2.6528 2.6601 3.0822 3.0829 3.3701 3.3780 3.6680 3.6682 4.0848 4.0909 4.9333 4.9346 5.1537 5.1710 5.5967 5.6188 5.7719 5.7996 5.8295 5.8438 6.7981 6.8036 7.0032 7.0044 8.7569 8.7571 9.0900 9.1021 9.4771 9.4986 9.7802 9.7833 10.4043 10.4092 10.9151 10.9488 k = 0.1667 0.1667-0.0000 ( 5675 PWs) bands (ev): -19.7888 -19.7888 -19.7772 -19.7772 -8.6007 -8.6007 -8.4174 -8.4142 -6.8138 -6.7661 -6.4092 -6.3910 -6.1099 -6.1017 -5.4325 -5.3156 -4.5261 -4.5258 -4.3133 -4.2859 -4.1128 -4.0412 -3.9372 -3.9262 -2.5510 -2.5454 -2.5348 -2.5343 1.6354 1.6460 1.8777 1.8820 2.6933 2.6993 3.0733 3.0739 3.3769 3.3853 3.6570 3.6571 4.0255 4.0323 4.9341 4.9357 5.1822 5.1997 5.6131 5.6364 5.7648 5.7937 5.8256 5.8401 6.8402 6.8456 7.0278 7.0293 8.7400 8.7412 9.0380 9.0499 9.5016 9.5212 9.8015 9.8053 10.3890 10.3925 10.9239 10.9568 k = 0.1515 0.1515-0.0000 ( 5683 PWs) bands (ev): -19.7891 -19.7891 -19.7769 -19.7769 -8.6002 -8.6001 -8.4051 -8.4020 -6.8307 -6.7871 -6.4112 -6.3935 -6.1285 -6.1217 -5.4182 -5.3098 -4.5264 -4.5262 -4.3129 -4.2869 -4.0974 -4.0286 -3.9106 -3.9026 -2.5629 -2.5574 -2.5441 -2.5434 1.6453 1.6555 1.8548 1.8591 2.7360 2.7404 3.0645 3.0667 3.3847 3.3935 3.6445 3.6446 3.9686 3.9761 4.9350 4.9367 5.2126 5.2302 5.6281 5.6525 5.7591 5.7890 5.8200 5.8346 6.8815 6.8865 7.0495 7.0512 8.7219 8.7242 8.9804 8.9920 9.5352 9.5530 9.8228 9.8273 10.3746 10.3768 10.9336 10.9655 k = 0.1364 0.1364-0.0000 ( 5675 PWs) bands (ev): -19.7894 -19.7894 -19.7767 -19.7767 -8.5997 -8.5997 -8.3933 -8.3905 -6.8462 -6.8068 -6.4129 -6.3958 -6.1458 -6.1403 -5.4047 -5.3054 -4.5265 -4.5264 -4.3123 -4.2879 -4.0825 -4.0177 -3.8859 -3.8801 -2.5742 -2.5690 -2.5524 -2.5517 1.6547 1.6643 1.8318 1.8359 2.7792 2.7816 3.0569 3.0609 3.3936 3.4028 3.6308 3.6309 3.9144 3.9227 4.9357 4.9376 5.2446 5.2622 5.6415 5.6663 5.7554 5.7858 5.8124 5.8270 6.9213 6.9260 7.0685 7.0704 8.7033 8.7064 8.9209 8.9320 9.5754 9.5913 9.8439 9.8490 10.3601 10.3613 10.9439 10.9744 k = 0.1212 0.1212-0.0000 ( 5687 PWs) bands (ev): -19.7897 -19.7897 -19.7764 -19.7764 -8.5993 -8.5993 -8.3823 -8.3797 -6.8602 -6.8251 -6.4142 -6.3980 -6.1616 -6.1574 -5.3919 -5.3023 -4.5265 -4.5264 -4.3115 -4.2891 -4.0681 -4.0082 -3.8631 -3.8591 -2.5848 -2.5801 -2.5599 -2.5593 1.6632 1.6723 1.8097 1.8136 2.8211 2.8211 3.0509 3.0571 3.4036 3.4132 3.6162 3.6162 3.8630 3.8721 4.9364 4.9382 5.2781 5.2956 5.6528 5.6770 5.7545 5.7842 5.8027 5.8171 6.9592 6.9635 7.0850 7.0869 8.6845 8.6883 8.8621 8.8728 9.6203 9.6346 9.8647 9.8701 10.3448 10.3450 10.9543 10.9830 k = 0.1061 0.1061-0.0000 ( 5699 PWs) bands (ev): -19.7900 -19.7899 -19.7762 -19.7762 -8.5989 -8.5989 -8.3721 -8.3698 -6.8726 -6.8418 -6.4151 -6.4001 -6.1760 -6.1729 -5.3798 -5.3004 -4.5264 -4.5264 -4.3106 -4.2903 -4.0545 -4.0003 -3.8426 -3.8399 -2.5945 -2.5903 -2.5665 -2.5659 1.6708 1.6791 1.7895 1.7930 2.8573 2.8600 3.0471 3.0557 3.4149 3.4250 3.6011 3.6011 3.8145 3.8243 4.9370 4.9388 5.3127 5.3300 5.6617 5.6837 5.7562 5.7840 5.7913 5.8052 6.9945 6.9984 7.0990 7.1009 8.6661 8.6703 8.8063 8.8166 9.6686 9.6813 9.8849 9.8905 10.3272 10.3277 10.9646 10.9910 k = 0.0909 0.0909-0.0000 ( 5699 PWs) bands (ev): -19.7902 -19.7902 -19.7760 -19.7760 -8.5986 -8.5986 -8.3630 -8.3609 -6.8833 -6.8568 -6.4157 -6.4020 -6.1887 -6.1866 -5.3686 -5.2997 -4.5263 -4.5263 -4.3095 -4.2917 -4.0417 -3.9941 -3.8244 -3.8227 -2.6032 -2.5996 -2.5722 -2.5718 1.6770 1.6845 1.7717 1.7749 2.8886 2.8941 3.0465 3.0575 3.4276 3.4381 3.5858 3.5858 3.7690 3.7795 4.9376 4.9392 5.3479 5.3649 5.6682 5.6869 5.7580 5.7804 5.7823 5.7937 7.0266 7.0300 7.1111 7.1129 8.6482 8.6527 8.7554 8.7650 9.7189 9.7302 9.9040 9.9096 10.3072 10.3082 10.9744 10.9980 k = 0.0758 0.0758-0.0000 ( 5699 PWs) bands (ev): -19.7904 -19.7904 -19.7758 -19.7758 -8.5983 -8.5983 -8.3549 -8.3531 -6.8921 -6.8701 -6.4159 -6.4039 -6.1997 -6.1984 -5.3581 -5.3002 -4.5261 -4.5261 -4.3083 -4.2931 -4.0299 -3.9894 -3.8087 -3.8078 -2.6107 -2.6077 -2.5771 -2.5768 1.6816 1.6880 1.7573 1.7600 2.9136 2.9213 3.0503 3.0630 3.4418 3.4526 3.5711 3.5711 3.7266 3.7378 4.9381 4.9395 5.3833 5.3998 5.6728 5.6874 5.7506 5.7693 5.7781 5.7922 7.0546 7.0574 7.1216 7.1232 8.6313 8.6357 8.7110 8.7197 9.7701 9.7801 9.9217 9.9271 10.2847 10.2859 10.9833 11.0037 k = 0.0606 0.0606-0.0000 ( 5703 PWs) bands (ev): -19.7905 -19.7905 -19.7757 -19.7757 -8.5981 -8.5981 -8.3481 -8.3467 -6.8991 -6.8814 -6.4157 -6.4057 -6.2088 -6.2082 -5.3484 -5.3017 -4.5259 -4.5259 -4.3070 -4.2946 -4.0193 -3.9863 -3.7957 -3.7953 -2.6170 -2.6146 -2.5812 -2.5809 1.6843 1.6893 1.7467 1.7487 2.9316 2.9400 3.0590 3.0718 3.4574 3.4684 3.5576 3.5576 3.6874 3.6990 4.9385 4.9397 5.4180 5.4337 5.6757 5.6866 5.7343 5.7506 5.7833 5.7951 7.0776 7.0798 7.1310 7.1323 8.6151 8.6189 8.6752 8.6824 9.8205 9.8291 9.9378 9.9429 10.2595 10.2607 10.9911 11.0078 k = 0.0455 0.0455-0.0000 ( 5697 PWs) bands (ev): -19.7906 -19.7906 -19.7755 -19.7755 -8.5979 -8.5979 -8.3427 -8.3415 -6.9041 -6.8909 -6.4152 -6.4075 -6.2161 -6.2158 -5.3395 -5.3043 -4.5258 -4.5258 -4.3055 -4.2961 -4.0100 -3.9849 -3.7855 -3.7853 -2.6219 -2.6201 -2.5843 -2.5841 1.6850 1.6886 1.7400 1.7413 2.9434 2.9508 3.0713 3.0822 3.4741 3.4848 3.5463 3.5468 3.6516 3.6635 4.9389 4.9398 5.4509 5.4652 5.6776 5.6852 5.7158 5.7301 5.7896 5.7981 7.0948 7.0963 7.1398 7.1407 8.5998 8.6022 8.6494 8.6544 9.8676 9.8748 9.9524 9.9568 10.2324 10.2333 10.9977 11.0095 k = 0.0303 0.0303-0.0000 ( 5685 PWs) bands (ev): -19.7907 -19.7907 -19.7755 -19.7755 -8.5978 -8.5978 -8.3386 -8.3379 -6.9071 -6.8983 -6.4144 -6.4091 -6.2214 -6.2213 -5.3314 -5.3079 -4.5256 -4.5256 -4.3040 -4.2977 -4.0020 -3.9851 -3.7782 -3.7781 -2.6254 -2.6242 -2.5866 -2.5865 1.6844 1.6866 1.7365 1.7371 2.9507 2.9560 3.0839 3.0916 3.4909 3.4999 3.5392 3.5411 3.6198 3.6314 4.9392 4.9398 5.4802 5.4918 5.6789 5.6836 5.6982 5.7098 5.7950 5.8005 7.1060 7.1069 7.1476 7.1481 8.5861 8.5872 8.6333 8.6361 9.9071 9.9124 9.9667 9.9700 10.2052 10.2057 10.9906 10.9946 k = 0.0152 0.0152-0.0000 ( 5681 PWs) bands (ev): -19.7908 -19.7908 -19.7754 -19.7754 -8.5977 -8.5977 -8.3361 -8.3357 -6.9081 -6.9037 -6.4134 -6.4107 -6.2246 -6.2246 -5.3242 -5.3124 -4.5256 -4.5255 -4.3024 -4.2992 -3.9954 -3.9869 -3.7738 -3.7738 -2.6274 -2.6268 -2.5879 -2.5879 1.6836 1.6846 1.7350 1.7352 2.9549 2.9576 3.0936 3.0975 3.5039 3.5084 3.5396 3.5443 3.5944 3.6039 4.9394 4.9398 5.5028 5.5097 5.6800 5.6823 5.6858 5.6927 5.7989 5.8016 7.1121 7.1125 7.1531 7.1533 8.5765 8.5768 8.6249 8.6261 9.9324 9.9349 9.9818 9.9832 10.1827 10.1829 10.9786 10.9807 k = 0.0000 0.0000 0.0000 ( 5679 PWs) bands (ev): -19.7908 -19.7908 -19.7754 -19.7754 -8.5977 -8.5977 -8.3352 -8.3352 -6.9069 -6.9069 -6.4121 -6.4121 -6.2257 -6.2257 -5.3179 -5.3179 -4.5255 -4.5255 -4.3009 -4.3009 -3.9904 -3.9904 -3.7723 -3.7723 -2.6278 -2.6278 -2.5884 -2.5884 1.6835 1.6835 1.7347 1.7347 2.9572 2.9572 3.0984 3.0984 3.5091 3.5091 3.5470 3.5470 3.5864 3.5864 4.9396 4.9396 5.5139 5.5139 5.6812 5.6812 5.6833 5.6833 5.8011 5.8011 7.1142 7.1142 7.1552 7.1552 8.5730 8.5730 8.6226 8.6226 9.9410 9.9410 9.9898 9.9898 10.1734 10.1734 10.9753 10.9753 k = 0.0000 0.0000 0.0000 ( 5679 PWs) bands (ev): -19.7908 -19.7908 -19.7754 -19.7754 -8.5977 -8.5977 -8.3352 -8.3352 -6.9069 -6.9069 -6.4121 -6.4121 -6.2257 -6.2257 -5.3179 -5.3179 -4.5255 -4.5255 -4.3009 -4.3009 -3.9904 -3.9904 -3.7723 -3.7723 -2.6278 -2.6278 -2.5884 -2.5884 1.6835 1.6835 1.7347 1.7347 2.9572 2.9572 3.0984 3.0984 3.5091 3.5091 3.5470 3.5470 3.5864 3.5864 4.9396 4.9396 5.5139 5.5139 5.6812 5.6812 5.6833 5.6833 5.8011 5.8011 7.1142 7.1142 7.1552 7.1552 8.5730 8.5730 8.6226 8.6226 9.9410 9.9410 9.9898 9.9898 10.1734 10.1734 10.9753 10.9753 k = 0.0000 0.0000 0.0217 ( 5691 PWs) bands (ev): -19.7907 -19.7907 -19.7753 -19.7753 -8.5976 -8.5976 -8.3349 -8.3349 -6.9064 -6.9064 -6.4122 -6.4122 -6.2250 -6.2250 -5.3185 -5.3185 -4.5253 -4.5253 -4.3019 -4.3019 -3.9915 -3.9915 -3.7732 -3.7732 -2.6284 -2.6284 -2.5876 -2.5876 1.6830 1.6830 1.7340 1.7340 2.9508 2.9508 3.0995 3.0995 3.5086 3.5086 3.5466 3.5466 3.5884 3.5884 4.9437 4.9437 5.5140 5.5140 5.6805 5.6805 5.6830 5.6830 5.8017 5.8017 7.1127 7.1127 7.1537 7.1537 8.5717 8.5717 8.6255 8.6255 9.9425 9.9425 9.9913 9.9913 10.1745 10.1745 10.9769 10.9769 k = 0.0000 0.0000 0.0434 ( 5691 PWs) bands (ev): -19.7906 -19.7906 -19.7752 -19.7752 -8.5973 -8.5973 -8.3341 -8.3341 -6.9050 -6.9050 -6.4124 -6.4124 -6.2229 -6.2229 -5.3202 -5.3202 -4.5247 -4.5247 -4.3051 -4.3051 -3.9948 -3.9948 -3.7757 -3.7757 -2.6300 -2.6300 -2.5853 -2.5853 1.6815 1.6815 1.7322 1.7322 2.9328 2.9328 3.1019 3.1019 3.5071 3.5071 3.5454 3.5454 3.5945 3.5945 4.9557 4.9557 5.5141 5.5141 5.6783 5.6783 5.6820 5.6820 5.8032 5.8032 7.1083 7.1083 7.1492 7.1492 8.5684 8.5684 8.6337 8.6337 9.9473 9.9473 9.9957 9.9957 10.1777 10.1777 10.9817 10.9817 k = 0.0000 0.0000 0.0650 ( 5683 PWs) bands (ev): -19.7902 -19.7902 -19.7749 -19.7749 -8.5967 -8.5967 -8.3327 -8.3327 -6.9026 -6.9026 -6.4127 -6.4127 -6.2194 -6.2194 -5.3231 -5.3231 -4.5236 -4.5236 -4.3103 -4.3103 -4.0002 -4.0002 -3.7801 -3.7801 -2.6325 -2.6325 -2.5818 -2.5818 1.6791 1.6791 1.7291 1.7291 2.9056 2.9056 3.1037 3.1037 3.5047 3.5047 3.5431 3.5431 3.6047 3.6047 4.9752 4.9752 5.5143 5.5143 5.6749 5.6749 5.6802 5.6802 5.8058 5.8058 7.1012 7.1012 7.1418 7.1418 8.5641 8.5641 8.6462 8.6462 9.9552 9.9552 10.0030 10.0030 10.1834 10.1834 10.9895 10.9895 k = 0.0000 0.0000 0.0867 ( 5679 PWs) bands (ev): -19.7898 -19.7898 -19.7745 -19.7745 -8.5960 -8.5960 -8.3308 -8.3308 -6.8993 -6.8993 -6.4132 -6.4132 -6.2145 -6.2145 -5.3270 -5.3270 -4.5221 -4.5221 -4.3174 -4.3174 -4.0078 -4.0078 -3.7861 -3.7861 -2.6356 -2.6356 -2.5773 -2.5773 1.6757 1.6757 1.7248 1.7248 2.8713 2.8713 3.1035 3.1035 3.5013 3.5013 3.5399 3.5399 3.6189 3.6189 5.0016 5.0016 5.5141 5.5141 5.6703 5.6703 5.6775 5.6775 5.8094 5.8094 7.0913 7.0913 7.1316 7.1316 8.5594 8.5594 8.6626 8.6626 9.9661 9.9661 10.0132 10.0132 10.1920 10.1920 11.0004 11.0004 k = 0.0000 0.0000 0.1084 ( 5668 PWs) bands (ev): -19.7892 -19.7892 -19.7740 -19.7740 -8.5951 -8.5951 -8.3284 -8.3284 -6.8951 -6.8951 -6.4138 -6.4138 -6.2082 -6.2082 -5.3321 -5.3321 -4.5202 -4.5202 -4.3265 -4.3265 -4.0174 -4.0174 -3.7938 -3.7938 -2.6391 -2.6391 -2.5721 -2.5721 1.6714 1.6714 1.7194 1.7194 2.8318 2.8318 3.1006 3.1006 3.4972 3.4972 3.5356 3.5356 3.6372 3.6372 5.0339 5.0339 5.5134 5.5134 5.6645 5.6645 5.6740 5.6740 5.8140 5.8140 7.0789 7.0789 7.1188 7.1188 8.5548 8.5548 8.6827 8.6827 9.9800 9.9800 10.0262 10.0262 10.2040 10.2040 11.0141 11.0141 k = 0.0000 0.0000 0.1301 ( 5700 PWs) bands (ev): -19.7886 -19.7886 -19.7733 -19.7733 -8.5939 -8.5939 -8.3254 -8.3254 -6.8900 -6.8900 -6.4146 -6.4146 -6.2006 -6.2006 -5.3382 -5.3382 -4.5180 -4.5180 -4.3372 -4.3372 -4.0290 -4.0290 -3.8032 -3.8032 -2.6431 -2.6431 -2.5665 -2.5665 1.6663 1.6663 1.7128 1.7128 2.7881 2.7881 3.0947 3.0947 3.4922 3.4922 3.5304 3.5304 3.6592 3.6592 5.0711 5.0711 5.5118 5.5118 5.6576 5.6576 5.6697 5.6697 5.8196 5.8196 7.0642 7.0642 7.1037 7.1037 8.5507 8.5507 8.7064 8.7064 9.9967 9.9967 10.0418 10.0418 10.2199 10.2199 11.0305 11.0305 k = 0.0000 0.0000 0.1517 ( 5692 PWs) bands (ev): -19.7878 -19.7878 -19.7726 -19.7726 -8.5926 -8.5926 -8.3220 -8.3220 -6.8840 -6.8840 -6.4154 -6.4154 -6.1917 -6.1917 -5.3452 -5.3452 -4.5153 -4.5153 -4.3496 -4.3496 -4.0425 -4.0425 -3.8142 -3.8142 -2.6474 -2.6474 -2.5605 -2.5605 1.6603 1.6603 1.7053 1.7053 2.7414 2.7414 3.0861 3.0861 3.4865 3.4865 3.5243 3.5243 3.6849 3.6849 5.1120 5.1120 5.5089 5.5089 5.6497 5.6497 5.6645 5.6645 5.8262 5.8262 7.0473 7.0473 7.0864 7.0864 8.5473 8.5473 8.7337 8.7337 10.0161 10.0161 10.0599 10.0599 10.2404 10.2404 11.0495 11.0495 k = 0.0000 0.0000 0.1734 ( 5720 PWs) bands (ev): -19.7869 -19.7869 -19.7718 -19.7718 -8.5911 -8.5911 -8.3181 -8.3181 -6.8772 -6.8772 -6.4164 -6.4164 -6.1814 -6.1814 -5.3531 -5.3531 -4.5123 -4.5123 -4.3633 -4.3633 -4.0578 -4.0578 -3.8268 -3.8268 -2.6521 -2.6521 -2.5544 -2.5544 1.6535 1.6535 1.6967 1.6967 2.6925 2.6925 3.0751 3.0751 3.4801 3.4801 3.5173 3.5173 3.7140 3.7140 5.1557 5.1557 5.5043 5.5043 5.6407 5.6407 5.6586 5.6586 5.8338 5.8338 7.0287 7.0287 7.0673 7.0673 8.5451 8.5451 8.7645 8.7645 10.0381 10.0381 10.0804 10.0804 10.2659 10.2659 11.0709 11.0709 k = 0.0000 0.0000 0.1951 ( 5696 PWs) bands (ev): -19.7859 -19.7859 -19.7709 -19.7709 -8.5895 -8.5895 -8.3138 -8.3138 -6.8696 -6.8696 -6.4175 -6.4175 -6.1699 -6.1699 -5.3618 -5.3618 -4.5090 -4.5090 -4.3783 -4.3783 -4.0748 -4.0748 -3.8410 -3.8410 -2.6571 -2.6571 -2.5483 -2.5483 1.6461 1.6461 1.6873 1.6873 2.6421 2.6421 3.0622 3.0622 3.4730 3.4730 3.5094 3.5094 3.7464 3.7464 5.2009 5.2009 5.4978 5.4978 5.6308 5.6308 5.6520 5.6520 5.8423 5.8423 7.0084 7.0084 7.0465 7.0465 8.5445 8.5445 8.7989 8.7989 10.0623 10.0623 10.1030 10.1030 10.2970 10.2970 11.0947 11.0947 k = 0.0000 0.0000 0.2168 ( 5668 PWs) bands (ev): -19.7848 -19.7848 -19.7699 -19.7699 -8.5877 -8.5877 -8.3090 -8.3090 -6.8612 -6.8612 -6.4187 -6.4187 -6.1571 -6.1571 -5.3713 -5.3713 -4.5053 -4.5053 -4.3943 -4.3943 -4.0934 -4.0934 -3.8567 -3.8567 -2.6624 -2.6624 -2.5422 -2.5422 1.6379 1.6379 1.6770 1.6770 2.5910 2.5910 3.0478 3.0478 3.4653 3.4653 3.5009 3.5009 3.7817 3.7817 5.2466 5.2466 5.4891 5.4891 5.6200 5.6200 5.6446 5.6446 5.8516 5.8516 6.9868 6.9868 7.0245 7.0245 8.5461 8.5461 8.8367 8.8367 10.0886 10.0886 10.1276 10.1276 10.3342 10.3342 11.1206 11.1206 k = 0.0000 0.0000 0.2384 ( 5676 PWs) bands (ev): -19.7836 -19.7836 -19.7688 -19.7688 -8.5858 -8.5858 -8.3038 -8.3038 -6.8521 -6.8521 -6.4200 -6.4200 -6.1431 -6.1431 -5.3814 -5.3814 -4.5014 -4.5014 -4.4112 -4.4112 -4.1134 -4.1134 -3.8739 -3.8739 -2.6681 -2.6681 -2.5365 -2.5365 1.6292 1.6292 1.6661 1.6661 2.5395 2.5395 3.0323 3.0323 3.4570 3.4570 3.4916 3.4916 3.8198 3.8198 5.2918 5.2918 5.4780 5.4780 5.6085 5.6085 5.6366 5.6366 5.8618 5.8618 6.9642 6.9642 7.0014 7.0014 8.5502 8.5502 8.8776 8.8776 10.1166 10.1166 10.1538 10.1538 10.3775 10.3775 11.1485 11.1485 k = 0.0000 0.0000 0.2601 ( 5684 PWs) bands (ev): -19.7824 -19.7824 -19.7677 -19.7677 -8.5838 -8.5838 -8.2983 -8.2983 -6.8423 -6.8423 -6.4215 -6.4215 -6.1279 -6.1279 -5.3920 -5.3920 -4.4972 -4.4972 -4.4288 -4.4288 -4.1348 -4.1348 -3.8925 -3.8925 -2.6741 -2.6741 -2.5311 -2.5311 1.6200 1.6200 1.6545 1.6545 2.4883 2.4883 3.0162 3.0162 3.4482 3.4482 3.4818 3.4818 3.8604 3.8604 5.3354 5.3354 5.4643 5.4643 5.5962 5.5962 5.6281 5.6281 5.8727 5.8727 6.9409 6.9409 6.9776 6.9776 8.5575 8.5575 8.9216 8.9216 10.1462 10.1462 10.1816 10.1816 10.4274 10.4274 11.1783 11.1783 k = 0.0000 0.0000 0.2818 ( 5672 PWs) bands (ev): -19.7810 -19.7810 -19.7665 -19.7665 -8.5818 -8.5818 -8.2924 -8.2924 -6.8320 -6.8320 -6.4230 -6.4230 -6.1116 -6.1116 -5.4030 -5.4030 -4.4928 -4.4928 -4.4468 -4.4468 -4.1574 -4.1574 -3.9124 -3.9124 -2.6804 -2.6804 -2.5263 -2.5263 1.6103 1.6103 1.6424 1.6424 2.4378 2.4378 2.9998 2.9998 3.4390 3.4390 3.4713 3.4713 3.9032 3.9032 5.3765 5.3765 5.4483 5.4483 5.5833 5.5833 5.6190 5.6190 5.8844 5.8844 6.9170 6.9170 6.9533 6.9533 8.5684 8.5684 8.9682 8.9682 10.1771 10.1771 10.2105 10.2105 10.4839 10.4839 11.2097 11.2097 k = 0.0000 0.0000 0.3035 ( 5684 PWs) bands (ev): -19.7796 -19.7796 -19.7652 -19.7652 -8.5796 -8.5796 -8.2863 -8.2863 -6.8211 -6.8211 -6.4246 -6.4246 -6.0942 -6.0942 -5.4144 -5.4144 -4.4883 -4.4883 -4.4651 -4.4651 -4.1811 -4.1811 -3.9336 -3.9336 -2.6871 -2.6871 -2.5220 -2.5220 1.6002 1.6002 1.6300 1.6300 2.3883 2.3883 2.9835 2.9835 3.4293 3.4293 3.4604 3.4604 3.9478 3.9478 5.4121 5.4121 5.4320 5.4320 5.5700 5.5700 5.6094 5.6094 5.8967 5.8967 6.8929 6.8929 6.9287 6.9287 8.5835 8.5835 9.0172 9.0172 10.2089 10.2089 10.2404 10.2404 10.5470 10.5470 11.2424 11.2424 k = 0.0000 0.0000 0.3251 ( 5684 PWs) bands (ev): -19.7782 -19.7782 -19.7639 -19.7639 -8.5774 -8.5774 -8.2799 -8.2799 -6.8097 -6.8097 -6.4262 -6.4262 -6.0757 -6.0757 -5.4259 -5.4259 -4.4850 -4.4850 -4.4822 -4.4822 -4.2057 -4.2057 -3.9560 -3.9560 -2.6940 -2.6940 -2.5184 -2.5184 1.5898 1.5898 1.6173 1.6173 2.3401 2.3401 2.9676 2.9676 3.4193 3.4193 3.4492 3.4492 3.9941 3.9941 5.4056 5.4056 5.4518 5.4518 5.5562 5.5562 5.5996 5.5996 5.9096 5.9096 6.8688 6.8688 6.9041 6.9041 8.6030 8.6030 9.0681 9.0681 10.2415 10.2415 10.2710 10.2710 10.6165 10.6165 11.2760 11.2760 k = 0.0000 0.0000 0.3468 ( 5696 PWs) bands (ev): -19.7767 -19.7767 -19.7625 -19.7625 -8.5752 -8.5752 -8.2733 -8.2733 -6.7979 -6.7979 -6.4280 -6.4280 -6.0564 -6.0564 -5.4376 -5.4376 -4.5022 -4.5022 -4.4787 -4.4787 -4.2311 -4.2311 -3.9795 -3.9795 -2.7012 -2.7012 -2.5155 -2.5155 1.5791 1.5791 1.6044 1.6044 2.2935 2.2935 2.9524 2.9524 3.4091 3.4091 3.4376 3.4376 4.0416 4.0416 5.3824 5.3824 5.4816 5.4816 5.5422 5.5422 5.5895 5.5895 5.9230 5.9230 6.8448 6.8448 6.8796 6.8796 8.6274 8.6274 9.1206 9.1206 10.2746 10.2746 10.3022 10.3022 10.6924 10.6924 11.3099 11.3099 k = 0.0000 0.0000 0.3685 ( 5696 PWs) bands (ev): -19.7752 -19.7752 -19.7612 -19.7612 -8.5729 -8.5729 -8.2665 -8.2665 -6.7858 -6.7858 -6.4298 -6.4298 -6.0361 -6.0361 -5.4491 -5.4491 -4.5205 -4.5205 -4.4739 -4.4739 -4.2572 -4.2572 -4.0039 -4.0039 -2.7086 -2.7086 -2.5135 -2.5135 1.5682 1.5682 1.5916 1.5916 2.2488 2.2488 2.9381 2.9381 3.3986 3.3986 3.4257 3.4257 4.0901 4.0901 5.3565 5.3565 5.5072 5.5072 5.5280 5.5280 5.5795 5.5795 5.9368 5.9368 6.8212 6.8212 6.8555 6.8555 8.6568 8.6568 9.1740 9.1740 10.3080 10.3080 10.3337 10.3337 10.7742 10.7742 11.3435 11.3435 k = 0.0000 0.0000 0.3902 ( 5692 PWs) bands (ev): -19.7737 -19.7737 -19.7598 -19.7598 -8.5707 -8.5707 -8.2596 -8.2596 -6.7735 -6.7735 -6.4316 -6.4316 -6.0150 -6.0150 -5.4605 -5.4605 -4.5385 -4.5385 -4.4692 -4.4692 -4.2837 -4.2837 -4.0292 -4.0292 -2.7162 -2.7162 -2.5121 -2.5121 1.5570 1.5570 1.5789 1.5789 2.2059 2.2059 2.9249 2.9249 3.3878 3.3878 3.4138 3.4138 4.1392 4.1392 5.3287 5.3287 5.5138 5.5138 5.5275 5.5275 5.5701 5.5701 5.9510 5.9510 6.7980 6.7980 6.8319 6.8319 8.6912 8.6912 9.2280 9.2280 10.3415 10.3415 10.3654 10.3654 10.8614 10.8614 11.3762 11.3762 k = 0.0000 0.0000 0.4118 ( 5688 PWs) bands (ev): -19.7721 -19.7721 -19.7583 -19.7583 -8.5685 -8.5685 -8.2526 -8.2526 -6.7610 -6.7610 -6.4334 -6.4334 -5.9932 -5.9932 -5.4717 -5.4717 -4.5561 -4.5561 -4.4646 -4.4646 -4.3105 -4.3105 -4.0552 -4.0552 -2.7240 -2.7240 -2.5116 -2.5116 1.5457 1.5457 1.5665 1.5665 2.1653 2.1653 2.9128 2.9128 3.3770 3.3770 3.4018 3.4018 4.1886 4.1886 5.2992 5.2992 5.4996 5.4996 5.5402 5.5402 5.5637 5.5637 5.9655 5.9655 6.7756 6.7756 6.8088 6.8088 8.7308 8.7308 9.2820 9.2820 10.3751 10.3751 10.3973 10.3973 10.9532 10.9532 11.4071 11.4071 k = 0.0000 0.0000 0.4335 ( 5672 PWs) bands (ev): -19.7706 -19.7706 -19.7569 -19.7569 -8.5663 -8.5663 -8.2455 -8.2455 -6.7485 -6.7485 -6.4352 -6.4352 -5.9707 -5.9707 -5.4824 -5.4824 -4.5732 -4.5732 -4.4604 -4.4604 -4.3373 -4.3373 -4.0818 -4.0818 -2.7319 -2.7319 -2.5119 -2.5119 1.5341 1.5341 1.5545 1.5545 2.1268 2.1268 2.9019 2.9019 3.3660 3.3660 3.3899 3.3899 4.2380 4.2380 5.2685 5.2685 5.4857 5.4857 5.5397 5.5397 5.5658 5.5658 5.9800 5.9800 6.7539 6.7539 6.7865 6.7865 8.7753 8.7753 9.3356 9.3356 10.4086 10.4086 10.4291 10.4291 11.0482 11.0482 11.4355 11.4355 k = 0.0000 0.0000 0.4552 ( 5676 PWs) bands (ev): -19.7690 -19.7690 -19.7555 -19.7555 -8.5642 -8.5642 -8.2385 -8.2385 -6.7359 -6.7359 -6.4371 -6.4371 -5.9477 -5.9477 -5.4926 -5.4926 -4.5897 -4.5897 -4.4566 -4.4566 -4.3639 -4.3639 -4.1088 -4.1088 -2.7398 -2.7398 -2.5129 -2.5129 1.5225 1.5225 1.5431 1.5431 2.0906 2.0906 2.8924 2.8924 3.3550 3.3550 3.3782 3.3782 4.2870 4.2870 5.2369 5.2369 5.4721 5.4721 5.5317 5.5317 5.5712 5.5712 5.9947 5.9947 6.7330 6.7330 6.7651 6.7651 8.8245 8.8245 9.3882 9.3882 10.4420 10.4420 10.4609 10.4609 11.1438 11.1438 11.4601 11.4601 k = 0.0000 0.0000 0.4769 ( 5676 PWs) bands (ev): -19.7675 -19.7675 -19.7541 -19.7541 -8.5621 -8.5621 -8.2316 -8.2316 -6.7236 -6.7236 -6.4389 -6.4389 -5.9244 -5.9244 -5.5023 -5.5023 -4.6055 -4.6055 -4.4542 -4.4542 -4.3893 -4.3893 -4.1361 -4.1361 -2.7477 -2.7477 -2.5145 -2.5145 1.5109 1.5109 1.5322 1.5322 2.0568 2.0568 2.8842 2.8842 3.3439 3.3439 3.3667 3.3667 4.3353 4.3353 5.2047 5.2047 5.4589 5.4589 5.5221 5.5221 5.5743 5.5743 6.0093 6.0093 6.7131 6.7131 6.7445 6.7445 8.8780 8.8780 9.4394 9.4394 10.4751 10.4751 10.4926 10.4926 11.2344 11.2344 11.4755 11.4755 k = 0.0000 0.0000 0.4985 ( 5676 PWs) bands (ev): -19.7660 -19.7660 -19.7528 -19.7528 -8.5602 -8.5602 -8.2248 -8.2248 -6.7114 -6.7114 -6.4407 -6.4407 -5.9007 -5.9007 -5.5113 -5.5113 -4.6206 -4.6206 -4.4549 -4.4549 -4.4117 -4.4117 -4.1633 -4.1633 -2.7556 -2.7556 -2.5168 -2.5168 1.4994 1.4994 1.5220 1.5220 2.0253 2.0253 2.8773 2.8773 3.3330 3.3330 3.3556 3.3556 4.3826 4.3826 5.1724 5.1724 5.4462 5.4462 5.5124 5.5124 5.5741 5.5741 6.0238 6.0238 6.6942 6.6942 6.7249 6.7249 8.9354 8.9354 9.4888 9.4888 10.5081 10.5081 10.5242 10.5242 11.3092 11.3092 11.4750 11.4750 k = 0.0000 0.0000 0.5202 ( 5700 PWs) bands (ev): -19.7646 -19.7646 -19.7515 -19.7515 -8.5583 -8.5583 -8.2181 -8.2181 -6.6996 -6.6996 -6.4424 -6.4424 -5.8770 -5.8770 -5.5196 -5.5196 -4.6348 -4.6348 -4.4641 -4.4641 -4.4256 -4.4256 -4.1902 -4.1902 -2.7633 -2.7633 -2.5196 -2.5196 1.4880 1.4880 1.5124 1.5124 1.9962 1.9962 2.8716 2.8716 3.3221 3.3221 3.3450 3.3450 4.4286 4.4286 5.1404 5.1404 5.4340 5.4340 5.5028 5.5028 5.5709 5.5709 6.0380 6.0380 6.6764 6.6764 6.7063 6.7063 8.9960 8.9960 9.5360 9.5360 10.5408 10.5408 10.5557 10.5557 11.3546 11.3546 11.4655 11.4655 k = 0.0000 0.0000 0.5419 ( 5692 PWs) bands (ev): -19.7632 -19.7632 -19.7502 -19.7502 -8.5565 -8.5565 -8.2116 -8.2116 -6.6882 -6.6882 -6.4440 -6.4440 -5.8533 -5.8533 -5.5270 -5.5270 -4.6481 -4.6481 -4.4832 -4.4832 -4.4296 -4.4296 -4.2165 -4.2165 -2.7709 -2.7709 -2.5228 -2.5228 1.4771 1.4771 1.5033 1.5033 1.9694 1.9694 2.8672 2.8672 3.3114 3.3114 3.3348 3.3348 4.4729 4.4729 5.1089 5.1089 5.4225 5.4225 5.4935 5.4935 5.5651 5.5651 6.0518 6.0518 6.6597 6.6597 6.6888 6.6888 9.0594 9.0594 9.5806 9.5806 10.5733 10.5733 10.5871 10.5871 11.3698 11.3698 11.4520 11.4520 k = 0.0000 0.0000 0.5636 ( 5692 PWs) bands (ev): -19.7618 -19.7618 -19.7490 -19.7490 -8.5549 -8.5549 -8.2054 -8.2054 -6.6773 -6.6773 -6.4455 -6.4455 -5.8298 -5.8298 -5.5337 -5.5337 -4.6605 -4.6605 -4.5060 -4.5060 -4.4299 -4.4299 -4.2419 -4.2419 -2.7782 -2.7782 -2.5264 -2.5264 1.4666 1.4666 1.4949 1.4949 1.9450 1.9450 2.8638 2.8638 3.3010 3.3010 3.3252 3.3252 4.5153 4.5153 5.0782 5.0782 5.4118 5.4118 5.4847 5.4847 5.5571 5.5571 6.0652 6.0652 6.6442 6.6442 6.6725 6.6725 9.1248 9.1248 9.6223 9.6223 10.6055 10.6055 10.6182 10.6182 11.3651 11.3651 11.4357 11.4357 k = 0.0000 0.0000 0.5852 ( 5680 PWs) bands (ev): -19.7606 -19.7606 -19.7478 -19.7478 -8.5533 -8.5533 -8.1995 -8.1995 -6.6670 -6.6670 -6.4470 -6.4470 -5.8068 -5.8068 -5.5394 -5.5394 -4.6720 -4.6720 -4.5292 -4.5292 -4.4300 -4.4300 -4.2658 -4.2658 -2.7853 -2.7853 -2.5302 -2.5302 1.4566 1.4566 1.4872 1.4872 1.9228 1.9228 2.8613 2.8613 3.2910 3.2910 3.3163 3.3163 4.5554 4.5554 5.0489 5.0489 5.4018 5.4018 5.4763 5.4763 5.5474 5.5474 6.0780 6.0780 6.6298 6.6298 6.6573 6.6573 9.1916 9.1916 9.6609 9.6609 10.6373 10.6373 10.6492 10.6492 11.3489 11.3489 11.4163 11.4163 k = 0.0000 0.0000 0.6069 ( 5720 PWs) bands (ev): -19.7594 -19.7594 -19.7467 -19.7467 -8.5519 -8.5519 -8.1940 -8.1940 -6.6574 -6.6574 -6.4483 -6.4483 -5.7845 -5.7845 -5.5444 -5.5444 -4.6825 -4.6825 -4.5519 -4.5519 -4.4309 -4.4309 -4.2877 -4.2877 -2.7919 -2.7919 -2.5342 -2.5342 1.4473 1.4473 1.4800 1.4800 1.9029 1.9029 2.8597 2.8597 3.2816 3.2816 3.3079 3.3079 4.5930 4.5930 5.0210 5.0210 5.3927 5.3927 5.4685 5.4685 5.5366 5.5366 6.0900 6.0900 6.6166 6.6166 6.6433 6.6433 9.2590 9.2590 9.6960 9.6960 10.6687 10.6687 10.6798 10.6798 11.3264 11.3264 11.3939 11.3939 k = 0.0000 0.0000 0.6286 ( 5720 PWs) bands (ev): -19.7583 -19.7583 -19.7457 -19.7457 -8.5506 -8.5506 -8.1888 -8.1888 -6.6485 -6.6485 -6.4495 -6.4495 -5.7630 -5.7630 -5.5485 -5.5485 -4.6920 -4.6920 -4.5734 -4.5734 -4.4333 -4.4333 -4.3069 -4.3069 -2.7981 -2.7981 -2.5382 -2.5382 1.4386 1.4386 1.4735 1.4735 1.8851 1.8851 2.8589 2.8589 3.2727 3.2727 3.3003 3.3003 4.6279 4.6279 4.9949 4.9949 5.3844 5.3844 5.4612 5.4612 5.5252 5.5252 6.1014 6.1014 6.6047 6.6047 6.6305 6.6305 9.3264 9.3264 9.7273 9.7273 10.6995 10.6995 10.7098 10.7098 11.3000 11.3000 11.3693 11.3693 k = 0.0000 0.0000 0.6503 ( 5728 PWs) bands (ev): -19.7573 -19.7573 -19.7448 -19.7448 -8.5495 -8.5495 -8.1841 -8.1841 -6.6404 -6.6404 -6.4506 -6.4506 -5.7428 -5.7428 -5.5518 -5.5518 -4.7005 -4.7005 -4.5935 -4.5935 -4.4379 -4.4379 -4.3228 -4.3228 -2.8039 -2.8039 -2.5420 -2.5420 1.4308 1.4308 1.4676 1.4676 1.8694 1.8694 2.8586 2.8586 3.2644 3.2644 3.2933 3.2933 4.6597 4.6597 4.9709 4.9709 5.3770 5.3770 5.4545 5.4545 5.5136 5.5136 6.1118 6.1118 6.5940 6.5940 6.6190 6.6190 9.3927 9.3927 9.7547 9.7547 10.7294 10.7294 10.7392 10.7392 11.2713 11.2713 11.3438 11.3438 k = 0.0000 0.0000 0.6719 ( 5744 PWs) bands (ev): -19.7564 -19.7564 -19.7440 -19.7440 -8.5484 -8.5484 -8.1798 -8.1798 -6.6332 -6.6332 -6.4516 -6.4516 -5.7239 -5.7239 -5.5544 -5.5544 -4.7080 -4.7080 -4.6119 -4.6119 -4.4446 -4.4446 -4.3350 -4.3350 -2.8091 -2.8091 -2.5457 -2.5457 1.4237 1.4237 1.4624 1.4624 1.8558 1.8558 2.8587 2.8587 3.2570 3.2570 3.2871 3.2871 4.6882 4.6882 4.9492 4.9492 5.3705 5.3705 5.4485 5.4485 5.5023 5.5023 6.1212 6.1212 6.5845 6.5845 6.6088 6.6088 9.4572 9.4572 9.7777 9.7777 10.7581 10.7581 10.7674 10.7674 11.2412 11.2412 11.3189 11.3189 k = 0.0000 0.0000 0.6936 ( 5744 PWs) bands (ev): -19.7556 -19.7556 -19.7433 -19.7433 -8.5475 -8.5475 -8.1760 -8.1760 -6.6268 -6.6268 -6.4524 -6.4524 -5.7069 -5.7069 -5.5564 -5.5564 -4.7145 -4.7145 -4.6284 -4.6284 -4.4532 -4.4532 -4.3436 -4.3436 -2.8137 -2.8137 -2.5491 -2.5491 1.4175 1.4175 1.4579 1.4579 1.8441 1.8441 2.8592 2.8592 3.2504 3.2504 3.2816 3.2816 4.7134 4.7134 4.9299 4.9299 5.3649 5.3649 5.4432 5.4432 5.4918 5.4918 6.1296 6.1296 6.5763 6.5763 6.5999 6.5999 9.5190 9.5190 9.7960 9.7960 10.7852 10.7852 10.7940 10.7940 11.2106 11.2106 11.2959 11.2959 k = 0.0000 0.0000 0.7153 ( 5744 PWs) bands (ev): -19.7549 -19.7549 -19.7426 -19.7426 -8.5468 -8.5468 -8.1728 -8.1728 -6.6215 -6.6215 -6.4531 -6.4531 -5.6918 -5.6918 -5.5578 -5.5578 -4.7200 -4.7200 -4.6427 -4.6427 -4.4628 -4.4628 -4.3493 -4.3493 -2.8177 -2.8177 -2.5522 -2.5522 1.4122 1.4122 1.4540 1.4540 1.8344 1.8344 2.8598 2.8598 3.2447 3.2447 3.2769 3.2769 4.7349 4.7349 4.9133 4.9133 5.3603 5.3603 5.4385 5.4385 5.4824 5.4824 6.1368 6.1368 6.5694 6.5694 6.5923 6.5923 9.5771 9.5771 9.8093 9.8093 10.8100 10.8100 10.8186 10.8186 11.1808 11.1808 11.2755 11.2755 k = 0.0000 0.0000 0.7370 ( 5756 PWs) bands (ev): -19.7543 -19.7543 -19.7421 -19.7421 -8.5462 -8.5462 -8.1701 -8.1701 -6.6170 -6.6170 -6.4536 -6.4536 -5.6791 -5.6791 -5.5588 -5.5588 -4.7244 -4.7244 -4.6548 -4.6548 -4.4721 -4.4721 -4.3529 -4.3529 -2.8210 -2.8210 -2.5548 -2.5548 1.4078 1.4078 1.4508 1.4508 1.8265 1.8265 2.8605 2.8605 3.2400 3.2400 3.2731 3.2731 4.7527 4.7527 4.8996 4.8996 5.3565 5.3565 5.4345 5.4345 5.4743 5.4743 6.1428 6.1428 6.5637 6.5637 6.5861 6.5861 9.6304 9.6304 9.8172 9.8172 10.8320 10.8320 10.8403 10.8403 11.1533 11.1533 11.2584 11.2584 k = 0.0000 0.0000 0.7587 ( 5764 PWs) bands (ev): -19.7539 -19.7539 -19.7417 -19.7417 -8.5457 -8.5457 -8.1680 -8.1680 -6.6136 -6.6136 -6.4540 -6.4540 -5.6689 -5.6689 -5.5594 -5.5594 -4.7279 -4.7279 -4.6643 -4.6643 -4.4804 -4.4804 -4.3550 -4.3550 -2.8236 -2.8236 -2.5569 -2.5569 1.4044 1.4044 1.4484 1.4484 1.8204 1.8204 2.8611 2.8611 3.2363 3.2363 3.2700 3.2700 4.7666 4.7666 4.8887 4.8887 5.3536 5.3536 5.4313 5.4313 5.4679 5.4679 6.1475 6.1475 6.5593 6.5593 6.5812 6.5812 9.6781 9.6781 9.8191 9.8191 10.8503 10.8503 10.8584 10.8584 11.1296 11.1296 11.2449 11.2449 k = 0.0000 0.0000 0.7803 ( 5748 PWs) bands (ev): -19.7535 -19.7535 -19.7414 -19.7414 -8.5454 -8.5454 -8.1665 -8.1665 -6.6111 -6.6111 -6.4543 -6.4543 -5.6614 -5.6614 -5.5597 -5.5597 -4.7303 -4.7303 -4.6712 -4.6712 -4.4868 -4.4868 -4.3562 -4.3562 -2.8255 -2.8255 -2.5584 -2.5584 1.4019 1.4019 1.4466 1.4466 1.8161 1.8161 2.8616 2.8616 3.2336 3.2336 3.2679 3.2679 4.7766 4.7766 4.8809 4.8809 5.3515 5.3515 5.4289 5.4289 5.4633 5.4633 6.1509 6.1509 6.5562 6.5562 6.5777 6.5777 9.7190 9.7190 9.8148 9.8148 10.8641 10.8641 10.8721 10.8721 11.1113 11.1113 11.2351 11.2351 k = 0.0000 0.0000 0.8020 ( 5744 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5452 -8.5452 -8.1655 -8.1655 -6.6096 -6.6096 -6.4545 -6.4545 -5.6569 -5.6569 -5.5599 -5.5599 -4.7318 -4.7318 -4.6754 -4.6754 -4.4908 -4.4908 -4.3569 -4.3569 -2.8267 -2.8267 -2.5593 -2.5593 1.4004 1.4004 1.4455 1.4455 1.8135 1.8135 2.8620 2.8620 3.2320 3.2320 3.2666 3.2666 4.7827 4.7827 4.8762 4.8762 5.3503 5.3503 5.4275 5.4275 5.4604 5.4604 6.1530 6.1530 6.5543 6.5543 6.5756 6.5756 9.7520 9.7520 9.8043 9.8043 10.8727 10.8727 10.8807 10.8807 11.0998 11.0998 11.2292 11.2292 k = 0.0000 0.0000 0.8237 ( 5752 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5451 -8.5451 -8.1652 -8.1652 -6.6091 -6.6091 -6.4545 -6.4545 -5.6554 -5.6554 -5.5600 -5.5600 -4.7323 -4.7323 -4.6768 -4.6768 -4.4921 -4.4921 -4.3570 -4.3570 -2.8270 -2.8270 -2.5597 -2.5597 1.4000 1.4000 1.4452 1.4452 1.8127 1.8127 2.8621 2.8621 3.2314 3.2314 3.2661 3.2661 4.7847 4.7847 4.8746 4.8746 5.3499 5.3499 5.4270 5.4270 5.4595 5.4595 6.1537 6.1537 6.5536 6.5536 6.5749 6.5749 9.7697 9.7697 9.7942 9.7942 10.8757 10.8757 10.8836 10.8836 11.0959 11.0959 11.2272 11.2272 k = 0.0000 0.0000 0.8237 ( 5752 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5451 -8.5451 -8.1652 -8.1652 -6.6091 -6.6091 -6.4545 -6.4545 -5.6554 -5.6554 -5.5600 -5.5600 -4.7323 -4.7323 -4.6768 -4.6768 -4.4921 -4.4921 -4.3570 -4.3570 -2.8270 -2.8270 -2.5597 -2.5597 1.4000 1.4000 1.4452 1.4452 1.8127 1.8127 2.8621 2.8621 3.2314 3.2314 3.2661 3.2661 4.7847 4.7847 4.8746 4.8746 5.3499 5.3499 5.4270 5.4270 5.4595 5.4595 6.1537 6.1537 6.5536 6.5536 6.5749 6.5749 9.7697 9.7697 9.7942 9.7942 10.8757 10.8757 10.8836 10.8836 11.0959 11.0959 11.2272 11.2272 k = 0.0000 0.0217 0.8237 ( 5744 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5449 -8.5445 -8.1657 -8.1657 -6.6154 -6.6034 -6.4552 -6.4543 -5.6555 -5.6554 -5.5794 -5.5406 -4.7356 -4.7275 -4.6869 -4.6654 -4.4918 -4.4917 -4.3572 -4.3572 -2.8274 -2.8274 -2.5606 -2.5598 1.3988 1.4020 1.4453 1.4457 1.8136 1.8137 2.8588 2.8627 3.2300 3.2324 3.2653 3.2663 4.7809 4.7870 4.8759 4.8775 5.3446 5.3520 5.4206 5.4311 5.4551 5.4670 6.1426 6.1466 6.5544 6.5592 6.5775 6.5806 9.7704 9.7708 9.7927 9.7934 10.8557 10.8582 10.8755 10.8768 11.1168 11.1178 11.2287 11.2322 k = 0.0000 0.0435 0.8237 ( 5740 PWs) bands (ev): -19.7532 -19.7532 -19.7412 -19.7412 -8.5439 -8.5431 -8.1672 -8.1671 -6.6222 -6.5985 -6.4562 -6.4546 -5.6562 -5.6553 -5.5983 -5.5218 -4.7373 -4.7210 -4.6955 -4.6529 -4.4907 -4.4904 -4.3577 -4.3576 -2.8286 -2.8285 -2.5625 -2.5610 1.3987 1.4046 1.4462 1.4473 1.8165 1.8167 2.8528 2.8607 3.2280 3.2326 3.2640 3.2661 4.7759 4.7880 4.8813 4.8844 5.3365 5.3506 5.4129 5.4297 5.4573 5.4762 6.1159 6.1230 6.5581 6.5647 6.5903 6.5984 9.7730 9.7737 9.7891 9.7904 10.8056 10.8100 10.8616 10.8634 11.1628 11.1642 11.2394 11.2456 k = 0.0000 0.0652 0.8237 ( 5722 PWs) bands (ev): -19.7531 -19.7531 -19.7413 -19.7413 -8.5422 -8.5409 -8.1696 -8.1695 -6.6292 -6.5945 -6.4572 -6.4558 -5.6583 -5.6548 -5.6156 -5.5040 -4.7376 -4.7131 -4.7023 -4.6398 -4.4889 -4.4882 -4.3584 -4.3584 -2.8305 -2.8304 -2.5655 -2.5632 1.3993 1.4072 1.4479 1.4505 1.8212 1.8215 2.8442 2.8558 3.2248 3.2313 3.2633 3.2665 4.7697 4.7875 4.8904 4.8951 5.3265 5.3462 5.4037 5.4235 5.4651 5.4866 6.0780 6.0871 6.5602 6.5682 6.6135 6.6260 9.7772 9.7784 9.7838 9.7855 10.7457 10.7510 10.8398 10.8424 11.2039 11.2087 11.2707 11.2757 k = 0.0000 0.0870 0.8237 ( 5714 PWs) bands (ev): -19.7530 -19.7530 -19.7414 -19.7414 -8.5396 -8.5379 -8.1729 -8.1729 -6.6363 -6.5916 -6.4584 -6.4578 -5.6635 -5.6537 -5.6295 -5.4874 -4.7366 -4.7071 -4.7037 -4.6264 -4.4864 -4.4848 -4.3595 -4.3594 -2.8330 -2.8328 -2.5695 -2.5665 1.4002 1.4091 1.4511 1.4560 1.8276 1.8280 2.8329 2.8480 3.2199 3.2276 3.2641 3.2686 4.7626 4.7858 4.9031 4.9093 5.3149 5.3388 5.3930 5.4156 5.4752 5.4977 6.0330 6.0434 6.5615 6.5712 6.6419 6.6576 9.7764 9.7793 9.7838 9.7847 10.6832 10.6889 10.8106 10.8139 11.2272 11.2380 11.3282 11.3287 k = 0.0000 0.1087 0.8237 ( 5718 PWs) bands (ev): -19.7529 -19.7529 -19.7415 -19.7415 -8.5363 -8.5342 -8.1772 -8.1771 -6.6432 -6.5896 -6.4609 -6.4596 -5.6734 -5.6520 -5.6381 -5.4725 -4.7343 -4.7098 -4.6929 -4.6130 -4.4834 -4.4801 -4.3608 -4.3606 -2.8360 -2.8358 -2.5746 -2.5708 1.4012 1.4099 1.4560 1.4642 1.8354 1.8360 2.8189 2.8372 3.2131 3.2215 3.2671 3.2728 4.7549 4.7828 4.9187 4.9264 5.3018 5.3282 5.3811 5.4080 5.4858 5.5092 5.9841 5.9955 6.5629 6.5744 6.6714 6.6896 9.7692 9.7725 9.7911 9.7924 10.6207 10.6268 10.7746 10.7787 11.2456 11.2610 11.3926 11.3960 k = 0.0000 0.1304 0.8237 ( 5718 PWs) bands (ev): -19.7527 -19.7527 -19.7417 -19.7417 -8.5322 -8.5297 -8.1824 -8.1822 -6.6498 -6.5886 -6.4650 -6.4609 -5.6866 -5.6495 -5.6428 -5.4595 -4.7309 -4.7102 -4.6809 -4.6002 -4.4799 -4.4741 -4.3624 -4.3620 -2.8395 -2.8392 -2.5807 -2.5763 1.4018 1.4098 1.4630 1.4750 1.8444 1.8453 2.8021 2.8232 3.2049 3.2136 3.2724 3.2790 4.7466 4.7787 4.9366 4.9460 5.2868 5.3144 5.3690 5.4017 5.4962 5.5206 5.9335 5.9456 6.5645 6.5779 6.6996 6.7197 9.7621 9.7657 9.7997 9.8013 10.5595 10.5658 10.7328 10.7376 11.2652 11.2846 11.4590 11.4662 k = 0.0000 0.1522 0.8237 ( 5720 PWs) bands (ev): -19.7526 -19.7526 -19.7418 -19.7418 -8.5273 -8.5244 -8.1885 -8.1882 -6.6560 -6.5884 -6.4703 -6.4624 -5.7004 -5.6461 -5.6458 -5.4485 -4.7267 -4.7085 -4.6678 -4.5883 -4.4758 -4.4666 -4.3642 -4.3634 -2.8431 -2.8429 -2.5878 -2.5828 1.4021 1.4091 1.4723 1.4879 1.8544 1.8556 2.7826 2.8063 3.1961 3.2049 3.2796 3.2867 4.7380 4.7736 4.9559 4.9671 5.2696 5.2976 5.3577 5.3973 5.5059 5.5316 5.8827 5.8957 6.5665 6.5817 6.7248 6.7466 9.7558 9.7597 9.8092 9.8111 10.5002 10.5067 10.6861 10.6916 11.2875 11.3106 11.5249 11.5363 k = 0.0000 0.1739 0.8237 ( 5720 PWs) bands (ev): -19.7523 -19.7523 -19.7420 -19.7420 -8.5217 -8.5185 -8.1955 -8.1950 -6.6616 -6.5888 -6.4767 -6.4642 -5.7136 -5.6485 -5.6418 -5.4396 -4.7216 -4.7048 -4.6538 -4.5774 -4.4712 -4.4577 -4.3662 -4.3649 -2.8468 -2.8466 -2.5960 -2.5903 1.4022 1.4082 1.4834 1.5025 1.8651 1.8667 2.7604 2.7862 3.1875 3.1961 3.2884 3.2956 4.7294 4.7677 4.9753 4.9885 5.2503 5.2790 5.3482 5.3949 5.5145 5.5418 5.8330 5.8469 6.5689 6.5860 6.7459 6.7693 9.7511 9.7552 9.8195 9.8215 10.4432 10.4499 10.6356 10.6417 11.3132 11.3397 11.5886 11.6045 k = 0.0000 0.1957 0.8237 ( 5720 PWs) bands (ev): -19.7521 -19.7521 -19.7422 -19.7422 -8.5154 -8.5118 -8.2032 -8.2026 -6.6664 -6.5896 -6.4841 -6.4667 -5.7255 -5.6514 -5.6366 -5.4329 -4.7158 -4.6995 -4.6390 -4.5678 -4.4662 -4.4477 -4.3683 -4.3663 -2.8504 -2.8502 -2.6051 -2.5990 1.4023 1.4076 1.4961 1.5181 1.8764 1.8785 2.7355 2.7633 3.1800 3.1880 3.2984 3.3051 4.7210 4.7610 4.9929 5.0084 5.2303 5.2605 5.3407 5.3940 5.5218 5.5510 5.7852 5.8003 6.5719 6.5907 6.7626 6.7872 9.7484 9.7527 9.8302 9.8323 10.3889 10.3956 10.5822 10.5889 11.3424 11.3721 11.6491 11.6690 k = 0.0000 0.2174 0.8237 ( 5710 PWs) bands (ev): -19.7519 -19.7519 -19.7425 -19.7425 -8.5083 -8.5045 -8.2118 -8.2109 -6.6705 -6.5906 -6.4926 -6.4697 -5.7357 -5.6546 -5.6305 -5.4284 -4.7091 -4.6928 -4.6238 -4.5593 -4.4609 -4.4370 -4.3706 -4.3673 -2.8537 -2.8534 -2.6153 -2.6086 1.4028 1.4075 1.5096 1.5340 1.8882 1.8910 2.7082 2.7376 3.1742 3.1815 3.3092 3.3151 4.7128 4.7539 5.0060 5.0236 5.2124 5.2449 5.3353 5.3945 5.5278 5.5589 5.7402 5.7565 6.5753 6.5958 6.7744 6.8003 9.7482 9.7524 9.8412 9.8432 10.3375 10.3443 10.5269 10.5340 11.3751 11.4077 11.7060 11.7268 k = 0.0000 0.2391 0.8237 ( 5714 PWs) bands (ev): -19.7516 -19.7516 -19.7427 -19.7427 -8.5006 -8.4965 -8.2211 -8.2199 -6.6737 -6.5915 -6.5020 -6.4735 -5.7442 -5.6583 -5.6236 -5.4260 -4.7017 -4.6854 -4.6084 -4.5519 -4.4553 -4.4261 -4.3729 -4.3678 -2.8564 -2.8560 -2.6264 -2.6193 1.4040 1.4082 1.5235 1.5497 1.9006 1.9043 2.6786 2.7093 3.1708 3.1770 3.3203 3.3249 4.7053 4.7466 5.0113 5.0296 5.2015 5.2356 5.3317 5.3956 5.5323 5.5655 5.6984 5.7163 6.5792 6.6013 6.7814 6.8084 9.7505 9.7547 9.8521 9.8542 10.2891 10.2960 10.4705 10.4779 11.4112 11.4467 11.7597 11.7759 k = 0.0000 0.2609 0.8237 ( 5716 PWs) bands (ev): -19.7513 -19.7513 -19.7430 -19.7430 -8.4922 -8.4878 -8.2310 -8.2296 -6.6760 -6.5922 -6.5121 -6.4782 -5.7508 -5.6624 -5.6158 -5.4256 -4.6937 -4.6774 -4.5930 -4.5454 -4.4495 -4.4157 -4.3752 -4.3674 -2.8584 -2.8579 -2.6384 -2.6310 1.4060 1.4099 1.5369 1.5642 1.9138 1.9187 2.6468 2.6785 3.1702 3.1751 3.3312 3.3342 4.6985 4.7392 5.0062 5.0224 5.2014 5.2354 5.3294 5.3972 5.5355 5.5708 5.6605 5.6801 6.5837 6.6071 6.7839 6.8118 9.7554 9.7595 9.8629 9.8649 10.2440 10.2509 10.4139 10.4215 11.4508 11.4887 11.8110 11.8192 k = 0.0000 0.2826 0.8237 ( 5704 PWs) bands (ev): -19.7510 -19.7510 -19.7433 -19.7433 -8.4832 -8.4786 -8.2416 -8.2399 -6.6773 -6.5926 -6.5228 -6.4836 -5.7556 -5.6671 -5.6074 -5.4269 -4.6852 -4.6693 -4.5781 -4.5395 -4.4436 -4.4065 -4.3775 -4.3658 -2.8595 -2.8588 -2.6513 -2.6435 1.4092 1.4129 1.5490 1.5767 1.9283 1.9347 2.6130 2.6456 3.1727 3.1762 3.3414 3.3427 4.6927 4.7321 4.9907 5.0029 5.2115 5.2442 5.3281 5.3988 5.5374 5.5747 5.6268 5.6482 6.5885 6.6132 6.7822 6.8110 9.7628 9.7667 9.8735 9.8753 10.2023 10.2092 10.3578 10.3656 11.4935 11.5336 11.8610 11.8613 k = 0.0000 0.3043 0.8237 ( 5712 PWs) bands (ev): -19.7506 -19.7506 -19.7437 -19.7436 -8.4736 -8.4688 -8.2527 -8.2507 -6.6775 -6.5924 -6.5341 -6.4898 -5.7587 -5.6722 -5.5983 -5.4299 -4.6766 -4.6612 -4.5640 -4.5341 -4.4377 -4.3991 -4.3798 -4.3627 -2.8595 -2.8586 -2.6648 -2.6569 1.4137 1.4173 1.5589 1.5863 1.9445 1.9529 2.5774 2.6106 3.1785 3.1803 3.3498 3.3505 4.6880 4.7256 4.9675 4.9755 5.2275 5.2593 5.3276 5.4000 5.5381 5.5774 5.5977 5.6210 6.5938 6.6197 6.7769 6.8064 9.7723 9.7760 9.8837 9.8854 10.1641 10.1710 10.3030 10.3108 11.5391 11.5812 11.9034 11.9116 k = 0.0000 0.3261 0.8237 ( 5710 PWs) bands (ev): -19.7503 -19.7503 -19.7440 -19.7440 -8.4635 -8.4585 -8.2644 -8.2620 -6.6767 -6.5916 -6.5456 -6.4967 -5.7601 -5.6777 -5.5887 -5.4343 -4.6680 -4.6535 -4.5510 -4.5290 -4.4320 -4.3934 -4.3819 -4.3583 -2.8582 -2.8570 -2.6790 -2.6710 1.4195 1.4233 1.5661 1.5923 1.9631 1.9739 2.5401 2.5739 3.1875 3.1876 3.3551 3.3578 4.6847 4.7198 4.9396 4.9443 5.2455 5.2777 5.3274 5.4005 5.5375 5.5739 5.5786 5.5989 6.5995 6.6264 6.7685 6.7987 9.7837 9.7871 9.8936 9.8950 10.1294 10.1363 10.2500 10.2577 11.5873 11.6310 11.9465 11.9626 k = 0.0000 0.3478 0.8237 ( 5702 PWs) bands (ev): -19.7499 -19.7499 -19.7443 -19.7443 -8.4528 -8.4477 -8.2764 -8.2737 -6.6749 -6.5901 -6.5574 -6.5041 -5.7599 -5.6837 -5.5786 -5.4400 -4.6597 -4.6463 -4.5397 -4.5241 -4.4266 -4.3886 -4.3840 -4.3534 -2.8556 -2.8540 -2.6937 -2.6857 1.4268 1.4308 1.5698 1.5944 1.9846 1.9981 2.5016 2.5356 3.1977 3.1996 3.3584 3.3631 4.6830 4.7151 4.9095 4.9117 5.2630 5.2969 5.3275 5.4002 5.5347 5.5566 5.5761 5.5847 6.6056 6.6334 6.7578 6.7886 9.7968 9.7997 9.9032 9.9043 10.0983 10.1052 10.1996 10.2071 11.6377 11.6827 11.9893 12.0143 k = 0.0000 0.3696 0.8237 ( 5702 PWs) bands (ev): -19.7495 -19.7495 -19.7447 -19.7447 -8.4416 -8.4365 -8.2889 -8.2858 -6.6719 -6.5879 -6.5692 -6.5119 -5.7585 -5.6899 -5.5681 -5.4468 -4.6519 -4.6399 -4.5304 -4.5193 -4.4214 -4.3859 -4.3841 -4.3489 -2.8515 -2.8495 -2.7088 -2.7008 1.4355 1.4400 1.5699 1.5924 2.0092 2.0255 2.4618 2.4960 3.2104 3.2142 3.3593 3.3659 4.6830 4.7118 4.8789 4.8796 5.2783 5.3151 5.3276 5.3989 5.5285 5.5473 5.5666 5.5816 6.6122 6.6408 6.7454 6.7766 9.8114 9.8137 9.9124 9.9133 10.0707 10.0775 10.1521 10.1593 11.6898 11.7358 12.0289 12.0663 k = 0.0000 0.3913 0.8237 ( 5690 PWs) bands (ev): -19.7491 -19.7491 -19.7451 -19.7451 -8.4300 -8.4249 -8.3016 -8.2982 -6.6679 -6.5849 -6.5809 -6.5199 -5.7558 -5.6964 -5.5574 -5.4545 -4.6448 -4.6344 -4.5233 -4.5145 -4.4166 -4.3878 -4.3792 -4.3455 -2.8459 -2.8434 -2.7241 -2.7163 1.4457 1.4507 1.5664 1.5867 2.0370 2.0562 2.4212 2.4553 3.2252 3.2309 3.3575 3.3659 4.6851 4.7103 4.8490 4.8490 5.2909 5.3276 5.3311 5.3965 5.5217 5.5432 5.5593 5.5803 6.6193 6.6486 6.7320 6.7635 9.8272 9.8289 9.9214 9.9219 10.0463 10.0530 10.1080 10.1147 11.7429 11.7896 12.0600 12.1170 k = 0.0000 0.4130 0.8237 ( 5698 PWs) bands (ev): -19.7487 -19.7487 -19.7455 -19.7455 -8.4180 -8.4129 -8.3145 -8.3109 -6.6629 -6.5923 -6.5812 -6.5281 -5.7521 -5.7031 -5.5465 -5.4630 -4.6385 -4.6299 -4.5179 -4.5104 -4.4123 -4.3897 -4.3737 -4.3435 -2.8388 -2.8358 -2.7393 -2.7318 1.4572 1.4629 1.5597 1.5776 2.0679 2.0899 2.3800 2.4138 3.2416 3.2489 3.3531 3.3628 4.6893 4.7107 4.8207 4.8208 5.3005 5.3272 5.3443 5.3933 5.5177 5.5405 5.5559 5.5786 6.6271 6.6569 6.7181 6.7497 9.8444 9.8454 9.9301 9.9304 10.0247 10.0313 10.0680 10.0741 11.7963 11.8435 12.0761 12.1392 k = 0.0000 0.4348 0.8237 ( 5700 PWs) bands (ev): -19.7483 -19.7483 -19.7459 -19.7459 -8.4057 -8.4006 -8.3276 -8.3237 -6.6570 -6.6034 -6.5766 -6.5362 -5.7475 -5.7099 -5.5355 -5.4722 -4.6332 -4.6266 -4.5138 -4.5074 -4.4083 -4.3917 -4.3678 -4.3431 -2.8303 -2.8266 -2.7544 -2.7473 1.4698 1.4763 1.5502 1.5659 2.1016 2.1261 2.3385 2.3718 3.2588 3.2677 3.3458 3.3567 4.6959 4.7136 4.7945 4.7954 5.3077 5.3264 5.3548 5.3893 5.5171 5.5379 5.5557 5.5762 6.6355 6.6658 6.7042 6.7359 9.8630 9.8632 9.9384 9.9386 10.0048 10.0117 10.0330 10.0383 11.8493 11.8967 12.0749 12.1309 k = 0.0000 0.4565 0.8237 ( 5710 PWs) bands (ev): -19.7479 -19.7479 -19.7463 -19.7463 -8.3930 -8.3881 -8.3408 -8.3366 -6.6500 -6.6141 -6.5714 -6.5441 -5.7422 -5.7168 -5.5245 -5.4820 -4.6290 -4.6245 -4.5105 -4.5058 -4.4047 -4.3938 -4.3619 -4.3443 -2.8203 -2.8160 -2.7692 -2.7625 1.4833 1.4909 1.5386 1.5523 2.1377 2.1643 2.2969 2.3294 3.2763 3.2864 3.3360 3.3475 4.7052 4.7192 4.7709 4.7733 5.3130 5.3249 5.3630 5.3849 5.5191 5.5347 5.5579 5.5731 6.6447 6.6755 6.6906 6.7224 9.8826 9.8831 9.9452 9.9458 9.9849 9.9925 10.0057 10.0101 11.9007 11.9482 12.0586 12.1104 k = 0.0000 0.4783 0.8237 ( 5704 PWs) bands (ev): -19.7475 -19.7475 -19.7467 -19.7467 -8.3802 -8.3753 -8.3540 -8.3495 -6.6422 -6.6241 -6.5654 -6.5517 -5.7364 -5.7235 -5.5135 -5.4922 -4.6260 -4.6237 -4.5080 -4.5055 -4.4015 -4.3961 -4.3561 -4.3470 -2.8090 -2.8041 -2.7833 -2.7772 1.4974 1.5062 1.5256 1.5374 2.1757 2.2042 2.2557 2.2872 3.2933 3.3044 3.3236 3.3355 4.7172 4.7277 4.7500 4.7547 5.3171 5.3229 5.3695 5.3802 5.5227 5.5311 5.5614 5.5695 6.6548 6.6778 6.6859 6.7094 9.9036 9.9047 9.9442 9.9448 9.9706 9.9778 9.9876 9.9918 11.9491 11.9969 12.0303 12.0798 k = 0.0000 0.5000 0.8237 ( 5704 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3671 -8.3671 -8.3625 -8.3625 -6.6335 -6.6335 -6.5588 -6.5588 -5.7301 -5.7301 -5.5028 -5.5028 -4.6242 -4.6242 -4.5063 -4.5063 -4.3987 -4.3987 -4.3510 -4.3510 -2.7967 -2.7967 -2.7911 -2.7911 1.5116 1.5116 1.5218 1.5218 2.2151 2.2151 2.2453 2.2453 3.3093 3.3093 3.3209 3.3209 4.7322 4.7322 4.7395 4.7395 5.3203 5.3203 5.3751 5.3751 5.5269 5.5269 5.5655 5.5655 6.6658 6.6658 6.6972 6.6972 9.9259 9.9259 9.9270 9.9270 9.9753 9.9753 9.9802 9.9802 11.9930 11.9930 12.0413 12.0413 k = 0.0000 0.5000 0.8237 ( 5704 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3671 -8.3671 -8.3625 -8.3625 -6.6335 -6.6335 -6.5588 -6.5588 -5.7301 -5.7301 -5.5028 -5.5028 -4.6242 -4.6242 -4.5063 -4.5063 -4.3987 -4.3987 -4.3510 -4.3510 -2.7967 -2.7967 -2.7911 -2.7911 1.5116 1.5116 1.5218 1.5218 2.2151 2.2151 2.2453 2.2453 3.3093 3.3093 3.3209 3.3209 4.7322 4.7322 4.7395 4.7395 5.3203 5.3203 5.3751 5.3751 5.5269 5.5269 5.5655 5.5655 6.6658 6.6658 6.6972 6.6972 9.9259 9.9259 9.9270 9.9270 9.9753 9.9753 9.9802 9.9802 11.9930 11.9930 12.0413 12.0413 k = 0.0217 0.5000 0.8237 ( 5704 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3672 -8.3672 -8.3622 -8.3622 -6.6346 -6.6346 -6.5586 -6.5586 -5.7304 -5.7304 -5.5030 -5.5030 -4.6227 -4.6227 -4.5060 -4.5060 -4.3991 -4.3991 -4.3502 -4.3502 -2.7980 -2.7980 -2.7904 -2.7904 1.5106 1.5106 1.5213 1.5213 2.2157 2.2157 2.2457 2.2457 3.3103 3.3103 3.3220 3.3220 4.7309 4.7309 4.7385 4.7385 5.3175 5.3175 5.3722 5.3722 5.5292 5.5292 5.5678 5.5678 6.6653 6.6653 6.6967 6.6967 9.9130 9.9130 9.9161 9.9161 9.9876 9.9876 9.9932 9.9932 11.9898 11.9898 12.0382 12.0382 k = 0.0435 0.5000 0.8237 ( 5704 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3675 -8.3675 -8.3616 -8.3616 -6.6375 -6.6375 -6.5580 -6.5580 -5.7312 -5.7312 -5.5037 -5.5037 -4.6182 -4.6182 -4.5050 -4.5050 -4.4002 -4.4002 -4.3478 -4.3478 -2.8010 -2.8010 -2.7894 -2.7894 1.5076 1.5076 1.5196 1.5196 2.2175 2.2175 2.2468 2.2468 3.3133 3.3133 3.3253 3.3253 4.7272 4.7272 4.7354 4.7354 5.3094 5.3094 5.3638 5.3638 5.5360 5.5360 5.5743 5.5743 6.6639 6.6639 6.6950 6.6950 9.8904 9.8904 9.8939 9.8939 10.0118 10.0118 10.0180 10.0180 11.9807 11.9807 12.0291 12.0291 k = 0.0652 0.5000 0.8237 ( 5688 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3678 -8.3678 -8.3607 -8.3607 -6.6420 -6.6420 -6.5573 -6.5573 -5.7325 -5.7325 -5.5050 -5.5050 -4.6108 -4.6108 -4.5035 -4.5035 -4.4018 -4.4018 -4.3440 -4.3440 -2.8048 -2.8048 -2.7888 -2.7888 1.5028 1.5028 1.5166 1.5166 2.2206 2.2206 2.2488 2.2488 3.3182 3.3182 3.3306 3.3306 4.7213 4.7213 4.7304 4.7304 5.2966 5.2966 5.3503 5.3503 5.5466 5.5466 5.5843 5.5843 6.6616 6.6616 6.6924 6.6924 9.8662 9.8662 9.8696 9.8696 10.0392 10.0392 10.0458 10.0458 11.9668 11.9668 12.0152 12.0152 k = 0.0870 0.5000 0.8237 ( 5700 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3681 -8.3681 -8.3597 -8.3597 -6.6477 -6.6477 -6.5570 -6.5570 -5.7341 -5.7341 -5.5068 -5.5068 -4.6007 -4.6007 -4.5013 -4.5013 -4.4038 -4.4038 -4.3389 -4.3389 -2.8092 -2.8092 -2.7888 -2.7888 1.4963 1.4963 1.5123 1.5123 2.2251 2.2251 2.2518 2.2518 3.3248 3.3248 3.3377 3.3377 4.7136 4.7136 4.7236 4.7236 5.2797 5.2797 5.3322 5.3322 5.5604 5.5604 5.5971 5.5971 6.6586 6.6586 6.6889 6.6889 9.8419 9.8419 9.8450 9.8450 10.0677 10.0677 10.0745 10.0745 11.9496 11.9496 11.9977 11.9977 k = 0.1087 0.5000 0.8237 ( 5696 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3683 -8.3683 -8.3585 -8.3585 -6.6543 -6.6543 -6.5572 -6.5572 -5.7357 -5.7357 -5.5092 -5.5092 -4.5883 -4.5883 -4.4986 -4.4986 -4.4059 -4.4059 -4.3328 -4.3328 -2.8141 -2.8141 -2.7895 -2.7895 1.4883 1.4883 1.5065 1.5065 2.2310 2.2310 2.2561 2.2561 3.3329 3.3329 3.3462 3.3462 4.7045 4.7045 4.7154 4.7154 5.2595 5.2595 5.3105 5.3105 5.5764 5.5764 5.6119 5.6119 6.6551 6.6551 6.6847 6.6847 9.8177 9.8177 9.8206 9.8206 10.0964 10.0964 10.1034 10.1034 11.9305 11.9305 11.9780 11.9780 k = 0.1304 0.5000 0.8237 ( 5680 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3683 -8.3683 -8.3573 -8.3573 -6.6613 -6.6613 -6.5583 -6.5583 -5.7372 -5.7372 -5.5124 -5.5124 -4.5740 -4.5740 -4.4952 -4.4952 -4.4081 -4.4081 -4.3258 -4.3258 -2.8195 -2.8195 -2.7909 -2.7909 1.4788 1.4788 1.4993 1.4993 2.2384 2.2384 2.2617 2.2617 3.3420 3.3420 3.3558 3.3558 4.6944 4.6944 4.7060 4.7060 5.2364 5.2364 5.2856 5.2856 5.5938 5.5938 5.6281 5.6281 6.6513 6.6513 6.6801 6.6801 9.7939 9.7939 9.7965 9.7965 10.1249 10.1249 10.1320 10.1320 11.9109 11.9109 11.9575 11.9575 k = 0.1522 0.5000 0.8237 ( 5684 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3682 -8.3682 -8.3561 -8.3561 -6.6685 -6.6685 -6.5604 -6.5604 -5.7384 -5.7384 -5.5162 -5.5162 -4.5584 -4.5584 -4.4911 -4.4911 -4.4100 -4.4100 -4.3180 -4.3180 -2.8251 -2.8251 -2.7931 -2.7931 1.4681 1.4681 1.4906 1.4906 2.2475 2.2475 2.2688 2.2688 3.3518 3.3518 3.3661 3.3661 4.6836 4.6836 4.6957 4.6957 5.2110 5.2110 5.2582 5.2582 5.6119 5.6119 5.6450 5.6450 6.6475 6.6475 6.6755 6.6755 9.7701 9.7701 9.7726 9.7726 10.1526 10.1526 10.1597 10.1597 11.8919 11.8919 11.9371 11.9371 k = 0.1739 0.5000 0.8237 ( 5684 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3679 -8.3679 -8.3550 -8.3550 -6.6756 -6.6756 -6.5636 -6.5636 -5.7390 -5.7390 -5.5208 -5.5208 -4.5423 -4.5423 -4.4858 -4.4858 -4.4115 -4.4115 -4.3095 -4.3095 -2.8310 -2.8310 -2.7960 -2.7960 1.4564 1.4564 1.4807 1.4807 2.2581 2.2581 2.2776 2.2776 3.3621 3.3621 3.3768 3.3768 4.6725 4.6725 4.6849 4.6849 5.1838 5.1838 5.2290 5.2290 5.6302 5.6302 5.6622 5.6622 6.6440 6.6440 6.6709 6.6709 9.7464 9.7464 9.7488 9.7488 10.1792 10.1792 10.1861 10.1861 11.8745 11.8745 11.9179 11.9179 k = 0.1957 0.5000 0.8237 ( 5688 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3675 -8.3675 -8.3538 -8.3538 -6.6825 -6.6825 -6.5680 -6.5680 -5.7390 -5.7390 -5.5261 -5.5261 -4.5271 -4.5271 -4.4791 -4.4791 -4.4122 -4.4122 -4.3005 -4.3005 -2.8371 -2.8371 -2.7996 -2.7996 1.4439 1.4439 1.4696 1.4696 2.2702 2.2702 2.2880 2.2880 3.3724 3.3724 3.3875 3.3875 4.6612 4.6612 4.6738 4.6738 5.1554 5.1554 5.1986 5.1986 5.6480 5.6480 5.6790 5.6790 6.6411 6.6411 6.6669 6.6669 9.7227 9.7227 9.7252 9.7252 10.2043 10.2043 10.2109 10.2109 11.8590 11.8590 11.9003 11.9003 k = 0.2174 0.5000 0.8237 ( 5692 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3669 -8.3669 -8.3528 -8.3528 -6.6889 -6.6889 -6.5736 -6.5736 -5.7381 -5.7381 -5.5321 -5.5321 -4.5141 -4.5141 -4.4703 -4.4703 -4.4115 -4.4115 -4.2911 -4.2911 -2.8432 -2.8432 -2.8038 -2.8038 1.4308 1.4308 1.4575 1.4575 2.2837 2.2837 2.3000 2.3000 3.3825 3.3825 3.3979 3.3979 4.6500 4.6500 4.6625 4.6625 5.1265 5.1265 5.1676 5.1676 5.6650 5.6650 5.6951 5.6951 6.6391 6.6391 6.6635 6.6635 9.6990 9.6990 9.7016 9.7016 10.2275 10.2275 10.2338 10.2338 11.8460 11.8460 11.8847 11.8847 k = 0.2391 0.5000 0.8237 ( 5708 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3662 -8.3662 -8.3518 -8.3518 -6.6946 -6.6946 -6.5802 -6.5802 -5.7364 -5.7364 -5.5389 -5.5389 -4.5044 -4.5044 -4.4606 -4.4606 -4.4078 -4.4078 -4.2815 -4.2815 -2.8492 -2.8492 -2.8087 -2.8087 1.4174 1.4174 1.4446 1.4446 2.2985 2.2985 2.3134 2.3134 3.3920 3.3920 3.4076 3.4076 4.6390 4.6390 4.6511 4.6511 5.0976 5.0976 5.1367 5.1367 5.6809 5.6809 5.7099 5.7099 6.6381 6.6381 6.6611 6.6611 9.6754 9.6754 9.6781 9.6781 10.2487 10.2487 10.2545 10.2545 11.8355 11.8355 11.8715 11.8715 k = 0.2609 0.5000 0.8237 ( 5724 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3653 -8.3653 -8.3510 -8.3510 -6.6997 -6.6997 -6.5877 -6.5877 -5.7337 -5.7337 -5.5463 -5.5463 -4.4974 -4.4974 -4.4526 -4.4526 -4.3992 -4.3992 -4.2718 -4.2718 -2.8551 -2.8551 -2.8142 -2.8142 1.4040 1.4040 1.4312 1.4312 2.3142 2.3142 2.3279 2.3279 3.4008 3.4008 3.4166 3.4166 4.6281 4.6281 4.6396 4.6396 5.0695 5.0695 5.1065 5.1065 5.6953 5.6953 5.7233 5.7233 6.6383 6.6383 6.6597 6.6597 9.6519 9.6519 9.6548 9.6548 10.2677 10.2677 10.2730 10.2730 11.8274 11.8274 11.8605 11.8605 k = 0.2826 0.5000 0.8237 ( 5712 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3644 -8.3644 -8.3503 -8.3503 -6.7038 -6.7038 -6.5961 -6.5961 -5.7300 -5.7300 -5.5543 -5.5543 -4.4921 -4.4921 -4.4483 -4.4483 -4.3853 -4.3853 -4.2624 -4.2624 -2.8607 -2.8607 -2.8201 -2.8201 1.3909 1.3909 1.4176 1.4176 2.3306 2.3306 2.3434 2.3434 3.4087 3.4087 3.4245 3.4245 4.6174 4.6174 4.6281 4.6281 5.0428 5.0428 5.0777 5.0777 5.7081 5.7081 5.7348 5.7348 6.6397 6.6397 6.6594 6.6594 9.6289 9.6289 9.6319 9.6319 10.2845 10.2845 10.2891 10.2891 11.8218 11.8218 11.8518 11.8518 k = 0.3043 0.5000 0.8237 ( 5712 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3633 -8.3633 -8.3497 -8.3497 -6.7071 -6.7071 -6.6051 -6.6051 -5.7255 -5.7255 -5.5628 -5.5628 -4.4878 -4.4878 -4.4469 -4.4469 -4.3679 -4.3679 -4.2534 -4.2534 -2.8659 -2.8659 -2.8263 -2.8263 1.3783 1.3783 1.4041 1.4041 2.3473 2.3473 2.3593 2.3593 3.4157 3.4157 3.4314 3.4314 4.6068 4.6068 4.6166 4.6166 5.0182 5.0182 5.0507 5.0507 5.7193 5.7193 5.7445 5.7445 6.6423 6.6423 6.6603 6.6603 9.6065 9.6065 9.6096 9.6096 10.2990 10.2990 10.3030 10.3030 11.8182 11.8182 11.8452 11.8452 k = 0.3261 0.5000 0.8237 ( 5716 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3621 -8.3621 -8.3493 -8.3493 -6.7093 -6.7093 -6.6147 -6.6147 -5.7200 -5.7200 -5.5719 -5.5719 -4.4842 -4.4842 -4.4471 -4.4471 -4.3488 -4.3488 -4.2451 -4.2451 -2.8705 -2.8705 -2.8329 -2.8329 1.3665 1.3665 1.3908 1.3908 2.3641 2.3641 2.3753 2.3753 3.4218 3.4218 3.4370 3.4370 4.5963 4.5963 4.6050 4.6050 4.9961 4.9961 5.0260 5.0260 5.7289 5.7289 5.7522 5.7522 6.6459 6.6459 6.6621 6.6621 9.5851 9.5851 9.5882 9.5882 10.3113 10.3113 10.3148 10.3148 11.8164 11.8164 11.8403 11.8403 k = 0.3478 0.5000 0.8237 ( 5720 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3609 -8.3609 -8.3491 -8.3491 -6.7104 -6.7104 -6.6245 -6.6245 -5.7137 -5.7137 -5.5813 -5.5813 -4.4810 -4.4810 -4.4483 -4.4483 -4.3295 -4.3295 -4.2378 -4.2378 -2.8746 -2.8746 -2.8395 -2.8395 1.3558 1.3558 1.3782 1.3782 2.3804 2.3804 2.3908 2.3908 3.4269 3.4269 3.4415 3.4415 4.5860 4.5860 4.5936 4.5936 4.9770 4.9770 5.0040 5.0040 5.7370 5.7370 5.7582 5.7582 6.6504 6.6504 6.6646 6.6646 9.5650 9.5650 9.5681 9.5681 10.3217 10.3217 10.3245 10.3245 11.8161 11.8161 11.8370 11.8370 k = 0.3696 0.5000 0.8237 ( 5732 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3596 -8.3596 -8.3491 -8.3491 -6.7104 -6.7104 -6.6345 -6.6345 -5.7066 -5.7066 -5.5911 -5.5911 -4.4780 -4.4780 -4.4499 -4.4499 -4.3108 -4.3108 -4.2317 -4.2317 -2.8778 -2.8778 -2.8462 -2.8462 1.3464 1.3464 1.3664 1.3664 2.3959 2.3959 2.4053 2.4053 3.4313 3.4313 3.4449 3.4449 4.5761 4.5761 4.5824 4.5824 4.9611 4.9611 4.9848 4.9848 5.7437 5.7437 5.7624 5.7624 6.6554 6.6554 6.6676 6.6676 9.5467 9.5467 9.5495 9.5495 10.3301 10.3301 10.3325 10.3325 11.8168 11.8168 11.8347 11.8347 k = 0.3913 0.5000 0.8237 ( 5732 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3583 -8.3583 -8.3492 -8.3492 -6.7093 -6.7093 -6.6444 -6.6444 -5.6989 -5.6989 -5.6011 -5.6011 -4.4753 -4.4753 -4.4518 -4.4518 -4.2932 -4.2932 -4.2270 -4.2270 -2.8802 -2.8802 -2.8527 -2.8527 1.3384 1.3384 1.3557 1.3557 2.4102 2.4102 2.4184 2.4184 3.4350 3.4350 3.4471 3.4471 4.5667 4.5667 4.5719 4.5719 4.9484 4.9484 4.9686 4.9686 5.7491 5.7491 5.7652 5.7652 6.6605 6.6605 6.6707 6.6707 9.5304 9.5304 9.5330 9.5330 10.3369 10.3369 10.3389 10.3389 11.8183 11.8183 11.8332 11.8332 k = 0.4130 0.5000 0.8237 ( 5740 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3571 -8.3571 -8.3495 -8.3495 -6.7071 -6.7071 -6.6540 -6.6540 -5.6905 -5.6905 -5.6113 -5.6113 -4.4726 -4.4726 -4.4539 -4.4539 -4.2771 -4.2771 -4.2241 -4.2241 -2.8817 -2.8817 -2.8588 -2.8588 1.3321 1.3321 1.3463 1.3463 2.4228 2.4228 2.4297 2.4297 3.4381 3.4381 3.4485 3.4485 4.5584 4.5584 4.5625 4.5625 4.9388 4.9388 4.9552 4.9552 5.7536 5.7536 5.7667 5.7667 6.6655 6.6655 6.6737 6.6737 9.5165 9.5165 9.5187 9.5187 10.3423 10.3423 10.3438 10.3438 11.8203 11.8203 11.8322 11.8322 k = 0.4348 0.5000 0.8237 ( 5732 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3558 -8.3558 -8.3500 -8.3500 -6.7038 -6.7038 -6.6633 -6.6633 -5.6816 -5.6816 -5.6217 -5.6217 -4.4701 -4.4701 -4.4561 -4.4561 -4.2629 -4.2629 -4.2230 -4.2230 -2.8822 -2.8822 -2.8645 -2.8645 1.3274 1.3274 1.3383 1.3383 2.4333 2.4333 2.4386 2.4386 3.4408 3.4408 3.4489 3.4489 4.5514 4.5514 4.5544 4.5544 4.9321 4.9321 4.9446 4.9446 5.7572 5.7572 5.7673 5.7673 6.6701 6.6701 6.6762 6.6762 9.5055 9.5055 9.5072 9.5072 10.3463 10.3463 10.3474 10.3474 11.8224 11.8224 11.8314 11.8314 k = 0.4565 0.5000 0.8237 ( 5728 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3546 -8.3546 -8.3507 -8.3507 -6.6993 -6.6993 -6.6721 -6.6721 -5.6723 -5.6723 -5.6320 -5.6320 -4.4677 -4.4677 -4.4583 -4.4583 -4.2506 -4.2506 -4.2240 -4.2240 -2.8816 -2.8816 -2.8696 -2.8696 1.3246 1.3246 1.3320 1.3320 2.4413 2.4413 2.4450 2.4450 3.4430 3.4430 3.4487 3.4487 4.5462 4.5462 4.5482 4.5482 4.9282 4.9282 4.9366 4.9366 5.7602 5.7602 5.7670 5.7670 6.6738 6.6738 6.6779 6.6779 9.4975 9.4975 9.4986 9.4986 10.3491 10.3491 10.3498 10.3498 11.8246 11.8246 11.8306 11.8306 k = 0.4783 0.5000 0.8237 ( 5732 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3534 -8.3534 -8.3515 -8.3515 -6.6939 -6.6939 -6.6801 -6.6801 -5.6625 -5.6625 -5.6424 -5.6424 -4.4653 -4.4653 -4.4606 -4.4606 -4.2405 -4.2405 -4.2273 -4.2273 -2.8801 -2.8801 -2.8740 -2.8740 1.3237 1.3237 1.3274 1.3274 2.4467 2.4467 2.4485 2.4485 3.4450 3.4450 3.4479 3.4479 4.5432 4.5432 4.5442 4.5442 4.9268 4.9268 4.9310 4.9310 5.7626 5.7626 5.7661 5.7661 6.6765 6.6765 6.6786 6.6786 9.4927 9.4927 9.4933 9.4933 10.3508 10.3508 10.3511 10.3511 11.8265 11.8265 11.8296 11.8296 k = 0.5000 0.5000 0.8237 ( 5728 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3524 -8.3524 -8.3524 -8.3524 -6.6874 -6.6874 -6.6874 -6.6874 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2328 -4.2328 -4.2328 -4.2328 -2.8775 -2.8775 -2.8775 -2.8775 1.3246 1.3246 1.3246 1.3246 2.4491 2.4491 2.4491 2.4491 3.4466 3.4466 3.4466 3.4466 4.5425 4.5425 4.5425 4.5425 4.9277 4.9277 4.9277 4.9277 5.7646 5.7646 5.7646 5.7646 6.6781 6.6781 6.6781 6.6781 9.4913 9.4913 9.4913 9.4913 10.3515 10.3515 10.3515 10.3515 11.8282 11.8282 11.8282 11.8282 k = 0.5000 0.5000 0.8237 ( 5728 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3524 -8.3524 -8.3524 -8.3524 -6.6874 -6.6874 -6.6874 -6.6874 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2328 -4.2328 -4.2328 -4.2328 -2.8775 -2.8775 -2.8775 -2.8775 1.3246 1.3246 1.3246 1.3246 2.4491 2.4491 2.4491 2.4491 3.4466 3.4466 3.4466 3.4466 4.5425 4.5425 4.5425 4.5425 4.9277 4.9277 4.9277 4.9277 5.7646 5.7646 5.7646 5.7646 6.6781 6.6781 6.6781 6.6781 9.4913 9.4913 9.4913 9.4913 10.3515 10.3515 10.3515 10.3515 11.8282 11.8282 11.8282 11.8282 k = 0.4848 0.4848 0.8237 ( 5724 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3537 -8.3533 -8.3515 -8.3513 -6.6953 -6.6918 -6.6821 -6.6788 -5.6660 -5.6561 -5.6488 -5.6388 -4.4663 -4.4633 -4.4622 -4.4599 -4.2428 -4.2343 -4.2341 -4.2243 -2.8808 -2.8792 -2.8751 -2.8732 1.3226 1.3251 1.3264 1.3279 2.4450 2.4468 2.4490 2.4497 3.4446 3.4451 3.4479 3.4481 4.5421 4.5428 4.5443 4.5454 4.9253 4.9292 4.9293 4.9317 5.7621 5.7629 5.7640 5.7684 6.6751 6.6772 6.6783 6.6797 9.4913 9.4916 9.4943 9.4946 10.3495 10.3499 10.3522 10.3522 11.8262 11.8273 11.8283 11.8304 k = 0.4697 0.4697 0.8237 ( 5732 PWs) bands (ev): -19.7470 -19.7470 -19.7469 -19.7469 -8.3557 -8.3547 -8.3502 -8.3499 -6.7024 -6.6952 -6.6759 -6.6694 -5.6792 -5.6595 -5.6450 -5.6250 -4.4699 -4.4635 -4.4612 -4.4572 -4.2543 -4.2387 -4.2383 -4.2175 -2.8833 -2.8803 -2.8715 -2.8676 1.3214 1.3284 1.3293 1.3337 2.4351 2.4387 2.4491 2.4506 3.4414 3.4426 3.4494 3.4500 4.5418 4.5432 4.5509 4.5529 4.9235 4.9322 4.9344 4.9389 5.7558 5.7572 5.7661 5.7750 6.6686 6.6727 6.6798 6.6826 9.4917 9.4922 9.5035 9.5039 10.3442 10.3450 10.3544 10.3545 11.8240 11.8253 11.8282 11.8329 k = 0.4545 0.4545 0.8237 ( 5736 PWs) bands (ev): -19.7471 -19.7471 -19.7469 -19.7469 -8.3586 -8.3569 -8.3482 -8.3479 -6.7087 -6.6975 -6.6689 -6.6594 -5.6921 -5.6626 -5.6411 -5.6109 -4.4738 -4.4635 -4.4600 -4.4551 -4.2673 -4.2458 -4.2452 -4.2124 -2.8853 -2.8812 -2.8666 -2.8606 1.3208 1.3326 1.3347 1.3424 2.4195 2.4250 2.4495 2.4517 3.4366 3.4387 3.4511 3.4523 4.5419 4.5436 4.5621 4.5651 4.9227 4.9357 4.9434 4.9502 5.7454 5.7477 5.7706 5.7836 6.6591 6.6653 6.6829 6.6870 9.4924 9.4932 9.5183 9.5190 10.3357 10.3370 10.3581 10.3583 11.8209 11.8222 11.8286 11.8360 k = 0.4394 0.4394 0.8237 ( 5728 PWs) bands (ev): -19.7472 -19.7472 -19.7468 -19.7468 -8.3623 -8.3600 -8.3455 -8.3452 -6.7142 -6.6989 -6.6610 -6.6487 -5.7045 -5.6654 -5.6372 -5.5968 -4.4779 -4.4634 -4.4584 -4.4535 -4.2815 -4.2556 -4.2548 -4.2090 -2.8871 -2.8821 -2.8602 -2.8521 1.3209 1.3365 1.3439 1.3537 2.3991 2.4060 2.4504 2.4531 3.4305 3.4333 3.4528 3.4544 4.5427 4.5441 4.5777 4.5817 4.9235 4.9404 4.9559 4.9653 5.7313 5.7344 5.7763 5.7932 6.6474 6.6558 6.6874 6.6928 9.4936 9.4945 9.5381 9.5390 10.3243 10.3260 10.3633 10.3636 11.8165 11.8180 11.8303 11.8398 k = 0.4242 0.4242 0.8237 ( 5724 PWs) bands (ev): -19.7473 -19.7473 -19.7466 -19.7466 -8.3669 -8.3640 -8.3422 -8.3418 -6.7188 -6.6992 -6.6525 -6.6375 -5.7165 -5.6679 -5.6334 -5.5827 -4.4820 -4.4633 -4.4565 -4.4526 -4.2969 -4.2677 -4.2666 -4.2074 -2.8886 -2.8828 -2.8523 -2.8422 1.3215 1.3407 1.3556 1.3675 2.3743 2.3827 2.4518 2.4549 3.4231 3.4264 3.4538 3.4557 4.5443 4.5450 4.5977 4.6025 4.9264 4.9468 4.9715 4.9840 5.7134 5.7175 5.7819 5.8023 6.6349 6.6454 6.6933 6.6998 9.4952 9.4963 9.5622 9.5631 10.3103 10.3124 10.3700 10.3703 11.8106 11.8127 11.8336 11.8445 k = 0.4091 0.4091 0.8237 ( 5724 PWs) bands (ev): -19.7475 -19.7475 -19.7465 -19.7465 -8.3722 -8.3688 -8.3381 -8.3377 -6.7226 -6.6986 -6.6433 -6.6259 -5.7280 -5.6700 -5.6297 -5.5686 -4.4863 -4.4632 -4.4544 -4.4525 -4.3133 -4.2819 -4.2804 -4.2075 -2.8899 -2.8836 -2.8429 -2.8311 1.3227 1.3453 1.3698 1.3834 2.3461 2.3556 2.4538 2.4572 3.4146 3.4184 3.4535 3.4557 4.5464 4.5470 4.6216 4.6272 4.9320 4.9555 4.9900 5.0058 5.6921 5.6972 5.7862 5.8094 6.6228 6.6353 6.7005 6.7080 9.4973 9.4984 9.5894 9.5904 10.2941 10.2967 10.3781 10.3786 11.8033 11.8060 11.8388 11.8502 k = 0.3939 0.3939 0.8237 ( 5728 PWs) bands (ev): -19.7476 -19.7476 -19.7464 -19.7464 -8.3783 -8.3744 -8.3334 -8.3330 -6.7256 -6.6970 -6.6335 -6.6139 -5.7389 -5.6718 -5.6263 -5.5546 -4.4906 -4.4634 -4.4534 -4.4519 -4.3304 -4.2981 -4.2957 -4.2094 -2.8911 -2.8843 -2.8321 -2.8188 1.3245 1.3502 1.3860 1.4009 2.3151 2.3256 2.4566 2.4600 3.4052 3.4093 3.4514 3.4537 4.5487 4.5511 4.6493 4.6555 4.9408 4.9669 5.0110 5.0305 5.6676 5.6739 5.7877 5.8131 6.6125 6.6268 6.7088 6.7172 9.4999 9.5011 9.6189 9.6199 10.2762 10.2793 10.3878 10.3883 11.7943 11.7978 11.8458 11.8570 k = 0.3788 0.3788 0.8237 ( 5720 PWs) bands (ev): -19.7478 -19.7478 -19.7462 -19.7462 -8.3851 -8.3808 -8.3280 -8.3276 -6.7277 -6.6945 -6.6233 -6.6016 -5.7491 -5.6732 -5.6231 -5.5407 -4.4950 -4.4642 -4.4556 -4.4493 -4.3480 -4.3158 -4.3118 -4.2130 -2.8921 -2.8849 -2.8201 -2.8057 1.3268 1.3553 1.4038 1.4197 2.2823 2.2935 2.4604 2.4634 3.3952 3.3994 3.4470 3.4496 4.5519 4.5567 4.6805 4.6870 4.9531 4.9814 5.0343 5.0576 5.6401 5.6478 5.7852 5.8121 6.6051 6.6209 6.7181 6.7273 9.5032 9.5043 9.6497 9.6507 10.2570 10.2605 10.3989 10.3994 11.7835 11.7880 11.8545 11.8646 k = 0.3636 0.3636 0.8237 ( 5710 PWs) bands (ev): -19.7481 -19.7481 -19.7460 -19.7460 -8.3924 -8.3878 -8.3220 -8.3216 -6.7290 -6.6911 -6.6127 -6.5893 -5.7585 -5.6742 -5.6202 -5.5271 -4.4993 -4.4660 -4.4595 -4.4465 -4.3656 -4.3349 -4.3279 -4.2183 -2.8928 -2.8854 -2.8071 -2.7918 1.3296 1.3606 1.4227 1.4391 2.2482 2.2599 2.4653 2.4677 3.3847 3.3889 3.4402 3.4430 4.5561 4.5638 4.7147 4.7214 4.9688 4.9990 5.0598 5.0870 5.6100 5.6192 5.7782 5.8057 6.6014 6.6182 6.7281 6.7380 9.5071 9.5082 9.6810 9.6821 10.2367 10.2406 10.4114 10.4121 11.7708 11.7763 11.8643 11.8725 k = 0.3485 0.3485 0.8237 ( 5722 PWs) bands (ev): -19.7483 -19.7483 -19.7458 -19.7458 -8.4003 -8.3954 -8.3155 -8.3150 -6.7296 -6.6869 -6.6019 -6.5769 -5.7670 -5.6748 -5.6178 -5.5138 -4.5036 -4.4696 -4.4655 -4.4436 -4.3828 -4.3549 -4.3430 -4.2251 -2.8932 -2.8858 -2.7933 -2.7773 1.3329 1.3660 1.4421 1.4587 2.2135 2.2257 2.4715 2.4729 3.3739 3.3780 3.4309 3.4339 4.5615 4.5724 4.7518 4.7582 4.9879 5.0195 5.0873 5.1183 5.5777 5.5886 5.7663 5.7935 6.6015 6.6188 6.7388 6.7491 9.5119 9.5128 9.7125 9.7135 10.2156 10.2199 10.4254 10.4261 11.7558 11.7625 11.8745 11.8799 k = 0.3333 0.3333 0.8237 ( 5722 PWs) bands (ev): -19.7485 -19.7485 -19.7455 -19.7455 -8.4086 -8.4034 -8.3084 -8.3080 -6.7294 -6.6820 -6.5910 -6.5646 -5.7745 -5.6750 -5.6157 -5.5009 -4.5078 -4.4767 -4.4733 -4.4409 -4.3986 -4.3754 -4.3561 -4.2335 -2.8932 -2.8859 -2.7788 -2.7625 1.3365 1.3714 1.4615 1.4777 2.1790 2.1913 2.4794 2.4794 3.3630 3.3670 3.4192 3.4225 4.5681 4.5825 4.7911 4.7968 5.0099 5.0427 5.1168 5.1514 5.5435 5.5564 5.7497 5.7760 6.6052 6.6226 6.7498 6.7603 9.5176 9.5183 9.7437 9.7447 10.1940 10.1985 10.4408 10.4416 11.7382 11.7462 11.8838 11.8856 k = 0.3182 0.3182 0.8237 ( 5718 PWs) bands (ev): -19.7488 -19.7488 -19.7453 -19.7453 -8.4172 -8.4119 -8.3009 -8.3005 -6.7285 -6.6764 -6.5800 -6.5526 -5.7809 -5.6748 -5.6142 -5.4885 -4.5121 -4.4884 -4.4831 -4.4390 -4.4120 -4.3956 -4.3664 -4.2433 -2.8927 -2.8857 -2.7639 -2.7474 1.3405 1.3768 1.4801 1.4954 2.1451 2.1574 2.4874 2.4892 3.3522 3.3559 3.4054 3.4091 4.5758 4.5940 4.8324 4.8367 5.0341 5.0679 5.1485 5.1862 5.5080 5.5229 5.7293 5.7539 6.6116 6.6287 6.7608 6.7714 9.5243 9.5247 9.7748 9.7756 10.1719 10.1764 10.4576 10.4585 11.7179 11.7272 11.8887 11.8907 k = 0.3030 0.3030 0.8237 ( 5728 PWs) bands (ev): -19.7491 -19.7491 -19.7450 -19.7450 -8.4261 -8.4206 -8.2930 -8.2926 -6.7269 -6.6702 -6.5690 -6.5411 -5.7861 -5.6743 -5.6131 -5.4767 -4.5162 -4.5038 -4.4965 -4.4405 -4.4223 -4.4127 -4.3736 -4.2544 -2.8918 -2.8851 -2.7488 -2.7324 1.3447 1.3822 1.4973 1.5112 2.1123 2.1246 2.4971 2.5011 3.3416 3.3450 3.3899 3.3942 4.5845 4.6067 4.8751 4.8773 5.0596 5.0944 5.1826 5.2225 5.4717 5.4889 5.7059 5.7282 6.6198 6.6362 6.7716 6.7820 9.5321 9.5322 9.8059 9.8066 10.1492 10.1537 10.4758 10.4767 11.6947 11.7054 11.8879 11.8940 k = 0.2879 0.2879 0.8237 ( 5724 PWs) bands (ev): -19.7494 -19.7494 -19.7448 -19.7448 -8.4351 -8.4296 -8.2848 -8.2844 -6.7246 -6.6635 -6.5582 -6.5300 -5.7899 -5.6735 -5.6126 -5.4657 -4.5218 -4.5204 -4.5131 -4.4518 -4.4298 -4.4201 -4.3782 -4.2666 -2.8904 -2.8842 -2.7335 -2.7174 1.3492 1.3873 1.5122 1.5245 2.0813 2.0931 2.5087 2.5153 3.3313 3.3344 3.3731 3.3781 4.5943 4.6204 4.9180 4.9187 5.0854 5.1211 5.2192 5.2601 5.4358 5.4551 5.6807 5.7003 6.6285 6.6441 6.7818 6.7917 9.5410 9.5412 9.8374 9.8379 10.1262 10.1304 10.4953 10.4962 11.6684 11.6805 11.8825 11.8923 k = 0.2727 0.2727 0.8237 ( 5720 PWs) bands (ev): -19.7497 -19.7497 -19.7445 -19.7445 -8.4442 -8.4387 -8.2763 -8.2759 -6.7217 -6.6565 -6.5476 -6.5197 -5.7922 -5.6725 -5.6126 -5.4555 -4.5419 -4.5318 -4.5245 -4.4708 -4.4355 -4.4200 -4.3807 -4.2798 -2.8885 -2.8828 -2.7183 -2.7027 1.3538 1.3924 1.5243 1.5346 2.0522 2.0635 2.5226 2.5321 3.3214 3.3241 3.3557 3.3613 4.6049 4.6348 4.9581 4.9627 5.1100 5.1464 5.2585 5.2981 5.4021 5.4226 5.6547 5.6714 6.6368 6.6514 6.7909 6.8003 9.5511 9.5516 9.8700 9.8701 10.1029 10.1066 10.5161 10.5170 11.6391 11.6526 11.8721 11.8850 k = 0.2576 0.2576 0.8237 ( 5712 PWs) bands (ev): -19.7500 -19.7500 -19.7442 -19.7442 -8.4533 -8.4479 -8.2676 -8.2672 -6.7182 -6.6491 -6.5373 -6.5101 -5.7929 -5.6711 -5.6132 -5.4464 -4.5630 -4.5514 -4.5286 -4.4916 -4.4401 -4.4179 -4.3816 -4.2936 -2.8860 -2.8809 -2.7034 -2.6883 1.3585 1.3971 1.5330 1.5413 2.0253 2.0358 2.5388 2.5514 3.3119 3.3142 3.3381 3.3444 4.6162 4.6498 4.9970 5.0064 5.1313 5.1681 5.3008 5.3301 5.3793 5.3930 5.6290 5.6427 6.6438 6.6573 6.7987 6.8073 9.5625 9.5633 9.9032 9.9038 10.0799 10.0826 10.5381 10.5389 11.6072 11.6220 11.8568 11.8718 k = 0.2424 0.2424 0.8237 ( 5720 PWs) bands (ev): -19.7503 -19.7503 -19.7439 -19.7439 -8.4623 -8.4570 -8.2587 -8.2584 -6.7141 -6.6416 -6.5275 -6.5015 -5.7920 -5.6697 -5.6142 -5.4385 -4.5846 -4.5713 -4.5328 -4.5126 -4.4443 -4.4158 -4.3813 -4.3079 -2.8831 -2.8785 -2.6888 -2.6744 1.3632 1.4016 1.5381 1.5442 2.0008 2.0104 2.5575 2.5732 3.3028 3.3045 3.3212 3.3281 4.6281 4.6650 5.0342 5.0492 5.1466 5.1821 5.3285 5.3450 5.3696 5.3987 5.6048 5.6152 6.6489 6.6612 6.8047 6.8123 9.5754 9.5763 9.9368 9.9388 10.0585 10.0596 10.5612 10.5620 11.5731 11.5892 11.8368 11.8530 k = 0.2273 0.2273 0.8237 ( 5722 PWs) bands (ev): -19.7506 -19.7506 -19.7437 -19.7437 -8.4712 -8.4660 -8.2499 -8.2495 -6.7095 -6.6340 -6.5180 -6.4938 -5.7892 -5.6680 -5.6157 -5.4320 -4.6058 -4.5910 -4.5372 -4.5334 -4.4483 -4.4140 -4.3803 -4.3220 -2.8797 -2.8757 -2.6746 -2.6611 1.3678 1.4057 1.5394 1.5435 1.9786 1.9870 2.5786 2.5973 3.2937 3.2939 3.3063 3.3129 4.6404 4.6801 5.0693 5.0902 5.1523 5.1829 5.3176 5.3510 5.3954 5.4412 5.5827 5.5902 6.6515 6.6627 6.8086 6.8150 9.5896 9.5905 9.9658 9.9708 10.0421 10.0444 10.5854 10.5860 11.5374 11.5546 11.8124 11.8290 k = 0.2121 0.2121 0.8237 ( 5720 PWs) bands (ev): -19.7509 -19.7509 -19.7434 -19.7434 -8.4798 -8.4748 -8.2410 -8.2407 -6.7044 -6.6266 -6.5092 -6.4871 -5.7846 -5.6663 -5.6176 -5.4270 -4.6262 -4.6101 -4.5536 -4.5417 -4.4522 -4.4135 -4.3788 -4.3353 -2.8758 -2.8725 -2.6610 -2.6484 1.3724 1.4094 1.5373 1.5395 1.9585 1.9657 2.6018 2.6233 3.2813 3.2843 3.2954 3.2998 4.6529 4.6950 5.1017 5.1272 5.1468 5.1704 5.3171 5.3452 5.4448 5.4890 5.5637 5.5691 6.6516 6.6617 6.8098 6.8150 9.6049 9.6059 9.9734 9.9805 10.0505 10.0550 10.6104 10.6109 11.5009 11.5191 11.7840 11.8003 k = 0.1970 0.1970 0.8237 ( 5712 PWs) bands (ev): -19.7511 -19.7511 -19.7431 -19.7431 -8.4881 -8.4833 -8.2323 -8.2320 -6.6989 -6.6194 -6.5008 -6.4815 -5.7781 -5.6646 -5.6198 -5.4238 -4.6454 -4.6284 -4.5731 -4.5466 -4.4560 -4.4148 -4.3769 -4.3470 -2.8716 -2.8689 -2.6480 -2.6363 1.3767 1.4128 1.5321 1.5326 1.9403 1.9461 2.6269 2.6507 3.2677 3.2741 3.2875 3.2896 4.6656 4.7093 5.1223 5.1344 5.1404 5.1748 5.3237 5.3476 5.4920 5.5392 5.5489 5.5566 6.6492 6.6580 6.8082 6.8121 9.6213 9.6222 9.9587 9.9640 10.0892 10.0922 10.6362 10.6366 11.4645 11.4835 11.7516 11.7671 k = 0.1818 0.1818 0.8237 ( 5720 PWs) bands (ev): -19.7514 -19.7514 -19.7429 -19.7429 -8.4960 -8.4915 -8.2238 -8.2235 -6.6930 -6.6126 -6.4931 -6.4768 -5.7699 -5.6630 -5.6223 -5.4225 -4.6629 -4.6454 -4.5918 -4.5519 -4.4599 -4.4189 -4.3748 -4.3558 -2.8671 -2.8649 -2.6357 -2.6250 1.3809 1.4156 1.5236 1.5245 1.9236 1.9281 2.6533 2.6789 3.2551 3.2637 3.2812 3.2819 4.6781 4.7227 5.1035 5.1073 5.1641 5.2061 5.3319 5.3545 5.5135 5.5365 5.5760 5.5933 6.6444 6.6521 6.8034 6.8059 9.6385 9.6393 9.9375 9.9413 10.1387 10.1403 10.6625 10.6627 11.4289 11.4485 11.7155 11.7298 k = 0.1667 0.1667 0.8237 ( 5708 PWs) bands (ev): -19.7517 -19.7517 -19.7426 -19.7426 -8.5035 -8.4992 -8.2155 -8.2153 -6.6867 -6.6064 -6.4861 -6.4729 -5.7598 -5.6614 -5.6250 -5.4232 -4.6785 -4.6611 -4.6096 -4.5578 -4.4638 -4.4260 -4.3726 -4.3613 -2.8624 -2.8607 -2.6243 -2.6146 1.3847 1.4180 1.5130 1.5152 1.9081 1.9115 2.6803 2.7071 3.2441 3.2542 3.2760 3.2761 4.6905 4.7352 5.0764 5.0770 5.1900 5.2371 5.3391 5.3627 5.5090 5.5286 5.6268 5.6486 6.6378 6.6442 6.7952 6.7962 9.6563 9.6568 9.9150 9.9177 10.1940 10.1945 10.6890 10.6890 11.3948 11.4149 11.6759 11.6886 k = 0.1515 0.1515 0.8237 ( 5724 PWs) bands (ev): -19.7519 -19.7519 -19.7424 -19.7424 -8.5105 -8.5065 -8.2077 -8.2075 -6.6800 -6.6009 -6.4798 -6.4698 -5.7481 -5.6600 -5.6277 -5.4260 -4.6921 -4.6751 -4.6264 -4.5646 -4.4676 -4.4354 -4.3703 -4.3639 -2.8576 -2.8564 -2.6136 -2.6049 1.3882 1.4198 1.5015 1.5048 1.8936 1.8960 2.7073 2.7346 3.2352 3.2463 3.2711 3.2719 4.7026 4.7465 5.0453 5.0488 5.2139 5.2650 5.3448 5.3706 5.5023 5.5234 5.6846 5.7055 6.6296 6.6348 6.7830 6.7833 9.6742 9.6745 9.8930 9.8948 10.2533 10.2536 10.7153 10.7155 11.3628 11.3830 11.6327 11.6436 k = 0.1364 0.1364 0.8237 ( 5720 PWs) bands (ev): -19.7522 -19.7522 -19.7422 -19.7422 -8.5170 -8.5133 -8.2002 -8.2001 -6.6731 -6.5964 -6.4741 -6.4673 -5.7349 -5.6588 -5.6302 -5.4311 -4.7036 -4.6870 -4.6423 -4.5723 -4.4713 -4.4459 -4.3681 -4.3644 -2.8528 -2.8520 -2.6038 -2.5961 1.3913 1.4210 1.4900 1.4942 1.8801 1.8816 2.7335 2.7605 3.2285 3.2403 3.2672 3.2686 4.7142 4.7566 5.0155 5.0208 5.2356 5.2892 5.3498 5.3778 5.4969 5.5198 5.7442 5.7635 6.6204 6.6244 6.7662 6.7677 9.6921 9.6922 9.8720 9.8731 10.3160 10.3171 10.7412 10.7416 11.3333 11.3533 11.5861 11.5949 k = 0.1212 0.1212 0.8237 ( 5716 PWs) bands (ev): -19.7524 -19.7524 -19.7420 -19.7420 -8.5229 -8.5196 -8.1934 -8.1933 -6.6660 -6.5929 -6.4692 -6.4653 -5.7204 -5.6578 -5.6326 -5.4384 -4.7132 -4.6965 -4.6570 -4.5812 -4.4750 -4.4561 -4.3660 -4.3639 -2.8481 -2.8476 -2.5950 -2.5883 1.3939 1.4214 1.4789 1.4837 1.8674 1.8683 2.7583 2.7842 3.2241 3.2362 3.2642 3.2662 4.7253 4.7652 4.9876 4.9940 5.2552 5.3086 5.3558 5.3847 5.4925 5.5165 5.8044 5.8220 6.6108 6.6136 6.7459 6.7485 9.7094 9.7094 9.8526 9.8530 10.3820 10.3837 10.7662 10.7668 11.3065 11.3259 11.5363 11.5430 k = 0.1061 0.1061 0.8237 ( 5708 PWs) bands (ev): -19.7526 -19.7526 -19.7418 -19.7418 -8.5281 -8.5252 -8.1871 -8.1870 -6.6587 -6.5907 -6.4650 -6.4635 -5.7049 -5.6570 -5.6344 -5.4479 -4.7211 -4.7033 -4.6707 -4.5913 -4.4784 -4.4654 -4.3641 -4.3629 -2.8437 -2.8434 -2.5871 -2.5813 1.3959 1.4209 1.4690 1.4741 1.8557 1.8561 2.7810 2.8052 3.2219 3.2339 3.2620 3.2646 4.7358 4.7725 4.9621 4.9689 5.2727 5.3226 5.3643 5.3919 5.4881 5.5126 5.8641 5.8802 6.6012 6.6028 6.7225 6.7259 9.7258 9.7259 9.8349 9.8350 10.4507 10.4529 10.7899 10.7906 11.2826 11.3007 11.4835 11.4880 k = 0.0909 0.0909 0.8237 ( 5708 PWs) bands (ev): -19.7528 -19.7528 -19.7416 -19.7416 -8.5327 -8.5302 -8.1815 -8.1815 -6.6513 -6.5898 -6.4619 -6.4615 -5.6892 -5.6564 -5.6351 -5.4594 -4.7274 -4.7071 -4.6833 -4.6026 -4.4816 -4.4733 -4.3623 -4.3617 -2.8396 -2.8395 -2.5802 -2.5753 1.3973 1.4192 1.4607 1.4656 1.8450 1.8452 2.8012 2.8229 3.2215 3.2329 3.2607 3.2638 4.7455 4.7783 4.9393 4.9460 5.2883 5.3318 5.3752 5.3996 5.4831 5.5075 5.9226 5.9372 6.5922 6.5926 6.6965 6.7004 9.7410 9.7411 9.8190 9.8196 10.5212 10.5239 10.8119 10.8125 11.2613 11.2776 11.4283 11.4307 k = 0.0758 0.0758 0.8237 ( 5710 PWs) bands (ev): -19.7529 -19.7529 -19.7415 -19.7415 -8.5366 -8.5345 -8.1767 -8.1766 -6.6438 -6.5901 -6.4603 -6.4588 -5.6745 -5.6560 -5.6336 -5.4728 -4.7323 -4.7080 -4.6947 -4.6148 -4.4845 -4.4797 -4.3608 -4.3604 -2.8360 -2.8359 -2.5742 -2.5702 1.3981 1.4164 1.4545 1.4587 1.8356 1.8357 2.8186 2.8372 3.2225 3.2329 3.2604 3.2637 4.7545 4.7828 4.9196 4.9258 5.3024 5.3383 5.3866 5.4077 5.4771 5.5010 5.9787 5.9919 6.5831 6.5840 6.6687 6.6726 9.7545 9.7546 9.8056 9.8066 10.5930 10.5960 10.8314 10.8321 11.2423 11.2560 11.3717 11.3720 k = 0.0606 0.0606 0.8237 ( 5714 PWs) bands (ev): -19.7530 -19.7530 -19.7414 -19.7414 -8.5398 -8.5381 -8.1726 -8.1726 -6.6364 -6.5918 -6.4589 -6.4567 -5.6634 -5.6558 -5.6273 -5.4880 -4.7356 -4.7061 -4.7048 -4.6276 -4.4870 -4.4846 -4.3595 -4.3593 -2.8329 -2.8328 -2.5693 -2.5661 1.3983 1.4127 1.4503 1.4533 1.8275 1.8277 2.8329 2.8482 3.2242 3.2331 3.2610 3.2641 4.7627 4.7859 4.9032 4.9086 5.3152 5.3436 5.3971 5.4160 5.4702 5.4932 6.0311 6.0428 6.5747 6.5769 6.6405 6.6438 9.7652 9.7658 9.7951 9.7966 10.6648 10.6679 10.8482 10.8488 11.2238 11.2338 11.3144 11.3167 k = 0.0455 0.0455 0.8237 ( 5720 PWs) bands (ev): -19.7531 -19.7531 -19.7413 -19.7413 -8.5423 -8.5410 -8.1694 -8.1694 -6.6291 -6.5947 -6.4575 -6.4553 -5.6580 -5.6556 -5.6146 -5.5045 -4.7372 -4.7137 -4.7017 -4.6406 -4.4891 -4.4881 -4.3584 -4.3583 -2.8304 -2.8303 -2.5654 -2.5630 1.3983 1.4086 1.4477 1.4495 1.8211 1.8212 2.8444 2.8560 3.2263 3.2333 3.2623 3.2650 4.7698 4.7876 4.8903 4.8946 5.3267 5.3480 5.4061 5.4237 5.4629 5.4845 6.0779 6.0877 6.5672 6.5709 6.6142 6.6158 9.7715 9.7728 9.7891 9.7912 10.7351 10.7382 10.8618 10.8621 11.1996 11.2045 11.2656 11.2712 k = 0.0303 0.0303 0.8237 ( 5732 PWs) bands (ev): -19.7532 -19.7532 -19.7412 -19.7412 -8.5440 -8.5431 -8.1671 -8.1671 -6.6221 -6.5986 -6.4562 -6.4545 -5.6560 -5.6555 -5.5977 -5.5223 -4.7372 -4.7213 -4.6952 -4.6533 -4.4907 -4.4904 -4.3577 -4.3576 -2.8286 -2.8285 -2.5624 -2.5609 1.3984 1.4050 1.4461 1.4471 1.8164 1.8165 2.8530 2.8608 3.2283 3.2330 3.2638 3.2658 4.7760 4.7880 4.8811 4.8841 5.3367 5.3511 5.4139 5.4297 5.4568 5.4755 6.1164 6.1236 6.5602 6.5656 6.5920 6.5929 9.7720 9.7730 9.7898 9.7914 10.8010 10.8036 10.8719 10.8719 11.1596 11.1615 11.2386 11.2447 k = 0.0152 0.0152 0.8237 ( 5744 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5449 -8.5445 -8.1657 -8.1657 -6.6154 -6.6035 -6.4552 -6.4543 -5.6555 -5.6554 -5.5791 -5.5409 -4.7355 -4.7275 -4.6868 -4.6655 -4.4918 -4.4917 -4.3572 -4.3572 -2.8274 -2.8274 -2.5605 -2.5598 1.3988 1.4020 1.4453 1.4457 1.8136 1.8137 2.8588 2.8627 3.2300 3.2324 3.2653 3.2663 4.7810 4.7870 4.8759 4.8774 5.3446 5.3520 5.4208 5.4310 5.4552 5.4669 6.1429 6.1468 6.5546 6.5592 6.5778 6.5798 9.7703 9.7707 9.7928 9.7935 10.8549 10.8562 10.8781 10.8786 11.1160 11.1171 11.2287 11.2321 k = 0.0000 0.0000 0.8237 ( 5752 PWs) bands (ev): -19.7533 -19.7533 -19.7412 -19.7412 -8.5451 -8.5451 -8.1652 -8.1652 -6.6091 -6.6091 -6.4545 -6.4545 -5.6554 -5.6554 -5.5600 -5.5600 -4.7323 -4.7323 -4.6768 -4.6768 -4.4921 -4.4921 -4.3570 -4.3570 -2.8270 -2.8270 -2.5597 -2.5597 1.4000 1.4000 1.4452 1.4452 1.8127 1.8127 2.8621 2.8621 3.2314 3.2314 3.2661 3.2661 4.7847 4.7847 4.8746 4.8746 5.3499 5.3499 5.4270 5.4270 5.4595 5.4595 6.1537 6.1537 6.5536 6.5536 6.5749 6.5749 9.7697 9.7697 9.7942 9.7942 10.8757 10.8757 10.8836 10.8836 11.0959 11.0959 11.2272 11.2272 k = 0.0000 0.5000-0.0000 ( 5714 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5476 -8.5476 -8.5454 -8.5454 -6.5971 -6.5971 -6.5393 -6.5393 -5.7481 -5.7481 -5.6168 -5.6168 -4.3863 -4.3863 -4.3853 -4.3853 -4.1777 -4.1777 -4.0911 -4.0911 -2.4973 -2.4973 -2.4897 -2.4897 1.9334 1.9334 1.9356 1.9356 2.5284 2.5284 2.5406 2.5406 3.6570 3.6570 3.6847 3.6847 4.8374 4.8374 4.8399 4.8399 4.9630 4.9630 4.9812 4.9812 5.7646 5.7646 5.7772 5.7772 6.9175 6.9175 6.9215 6.9215 9.2417 9.2417 9.2424 9.2424 9.4007 9.4007 9.4025 9.4025 10.6785 10.6785 10.6894 10.6894 k = 0.0000 0.5000 0.0217 ( 5706 PWs) bands (ev): -19.7829 -19.7829 -19.7829 -19.7829 -8.5473 -8.5473 -8.5451 -8.5451 -6.5975 -6.5975 -6.5387 -6.5387 -5.7492 -5.7492 -5.6159 -5.6159 -4.3901 -4.3901 -4.3827 -4.3827 -4.1794 -4.1794 -4.0898 -4.0898 -2.4988 -2.4988 -2.4891 -2.4891 1.9326 1.9326 1.9350 1.9350 2.5274 2.5274 2.5398 2.5398 3.6557 3.6557 3.6834 3.6834 4.8350 4.8350 4.8380 4.8380 4.9675 4.9675 4.9862 4.9862 5.7630 5.7630 5.7757 5.7757 6.9175 6.9175 6.9216 6.9216 9.2434 9.2434 9.2444 9.2444 9.4024 9.4024 9.4049 9.4049 10.6784 10.6784 10.6896 10.6896 k = 0.0000 0.5000 0.0434 ( 5706 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.5465 -8.5465 -8.5442 -8.5442 -6.5986 -6.5986 -6.5368 -6.5368 -5.7523 -5.7523 -5.6131 -5.6131 -4.3955 -4.3955 -4.3809 -4.3809 -4.1840 -4.1840 -4.0861 -4.0861 -2.5024 -2.5024 -2.4881 -2.4881 1.9304 1.9304 1.9332 1.9332 2.5243 2.5243 2.5377 2.5377 3.6515 3.6515 3.6796 3.6796 4.8289 4.8289 4.8327 4.8327 4.9802 4.9802 5.0001 5.0001 5.7581 5.7581 5.7713 5.7713 6.9174 6.9174 6.9217 6.9217 9.2484 9.2484 9.2504 9.2504 9.4079 9.4079 9.4118 9.4118 10.6783 10.6783 10.6901 10.6901 k = 0.0000 0.5000 0.0650 ( 5690 PWs) bands (ev): -19.7824 -19.7824 -19.7824 -19.7824 -8.5450 -8.5450 -8.5427 -8.5427 -6.6003 -6.6003 -6.5339 -6.5339 -5.7571 -5.7571 -5.6088 -5.6088 -4.4019 -4.4019 -4.3806 -4.3806 -4.1907 -4.1907 -4.0810 -4.0810 -2.5071 -2.5071 -2.4876 -2.4876 1.9267 1.9267 1.9300 1.9300 2.5193 2.5193 2.5340 2.5340 3.6449 3.6449 3.6733 3.6733 4.8213 4.8213 4.8254 4.8254 4.9995 4.9995 5.0208 5.0208 5.7500 5.7500 5.7640 5.7640 6.9173 6.9173 6.9220 6.9220 9.2563 9.2563 9.2599 9.2599 9.4175 9.4175 9.4233 9.4233 10.6784 10.6784 10.6911 10.6911 k = 0.0000 0.5000 0.0867 ( 5680 PWs) bands (ev): -19.7820 -19.7820 -19.7820 -19.7820 -8.5430 -8.5430 -8.5406 -8.5406 -6.6023 -6.6023 -6.5300 -6.5300 -5.7634 -5.7634 -5.6033 -5.6033 -4.4091 -4.4091 -4.3819 -4.3819 -4.1985 -4.1985 -4.0754 -4.0754 -2.5128 -2.5128 -2.4880 -2.4880 1.9215 1.9215 1.9256 1.9256 2.5125 2.5125 2.5290 2.5290 3.6359 3.6359 3.6649 3.6649 4.8133 4.8133 4.8174 4.8174 5.0235 5.0235 5.0465 5.0465 5.7391 5.7391 5.7540 5.7540 6.9169 6.9169 6.9222 6.9222 9.2666 9.2666 9.2723 9.2723 9.4318 9.4318 9.4397 9.4397 10.6793 10.6793 10.6930 10.6930 k = 0.0000 0.5000 0.1084 ( 5670 PWs) bands (ev): -19.7814 -19.7814 -19.7814 -19.7814 -8.5405 -8.5405 -8.5379 -8.5379 -6.6046 -6.6046 -6.5255 -6.5255 -5.7708 -5.7708 -5.5968 -5.5968 -4.4173 -4.4173 -4.3849 -4.3849 -4.2064 -4.2064 -4.0698 -4.0698 -2.5193 -2.5193 -2.4892 -2.4892 1.9150 1.9150 1.9198 1.9198 2.5041 2.5041 2.5227 2.5227 3.6248 3.6248 3.6545 3.6545 4.8057 4.8057 4.8098 4.8098 5.0511 5.0511 5.0759 5.0759 5.7256 5.7256 5.7417 5.7417 6.9164 6.9164 6.9222 6.9222 9.2786 9.2786 9.2866 9.2866 9.4511 9.4511 9.4613 9.4613 10.6815 10.6815 10.6962 10.6962 k = 0.0000 0.5000 0.1301 ( 5666 PWs) bands (ev): -19.7808 -19.7808 -19.7808 -19.7808 -8.5374 -8.5374 -8.5346 -8.5346 -6.6071 -6.6071 -6.5205 -6.5205 -5.7789 -5.7789 -5.5896 -5.5896 -4.4264 -4.4264 -4.3895 -4.3895 -4.2141 -4.2141 -4.0648 -4.0648 -2.5265 -2.5265 -2.4915 -2.4915 1.9071 1.9071 1.9127 1.9127 2.4944 2.4944 2.5152 2.5152 3.6121 3.6121 3.6425 3.6425 4.7985 4.7985 4.8030 4.8030 5.0812 5.0812 5.1079 5.1079 5.7098 5.7098 5.7272 5.7272 6.9154 6.9154 6.9218 6.9218 9.2919 9.2919 9.3022 9.3022 9.4759 9.4759 9.4881 9.4881 10.6856 10.6856 10.7013 10.7013 k = 0.0000 0.5000 0.1517 ( 5678 PWs) bands (ev): -19.7800 -19.7800 -19.7800 -19.7800 -8.5338 -8.5338 -8.5309 -8.5309 -6.6096 -6.6096 -6.5152 -6.5152 -5.7876 -5.7876 -5.5820 -5.5820 -4.4365 -4.4365 -4.3955 -4.3955 -4.2211 -4.2211 -4.0606 -4.0606 -2.5344 -2.5344 -2.4947 -2.4947 1.8978 1.8978 1.9042 1.9042 2.4836 2.4836 2.5067 2.5067 3.5980 3.5980 3.6291 3.6291 4.7921 4.7921 4.7972 4.7972 5.1131 5.1131 5.1418 5.1418 5.6922 5.6922 5.7109 5.7109 6.9140 6.9140 6.9210 6.9210 9.3062 9.3062 9.3184 9.3184 9.5062 9.5062 9.5201 9.5201 10.6924 10.6924 10.7089 10.7089 k = 0.0000 0.5000 0.1734 ( 5692 PWs) bands (ev): -19.7792 -19.7792 -19.7792 -19.7792 -8.5297 -8.5297 -8.5266 -8.5266 -6.6120 -6.6120 -6.5097 -6.5097 -5.7965 -5.7965 -5.5740 -5.5740 -4.4477 -4.4477 -4.4026 -4.4026 -4.2273 -4.2273 -4.0574 -4.0574 -2.5429 -2.5429 -2.4989 -2.4989 1.8872 1.8872 1.8943 1.8943 2.4718 2.4718 2.4974 2.4974 3.5829 3.5829 3.6146 3.6146 4.7863 4.7863 4.7923 4.7923 5.1461 5.1461 5.1769 5.1769 5.6731 5.6731 5.6933 5.6933 6.9119 6.9119 6.9197 6.9197 9.3211 9.3211 9.3350 9.3350 9.5416 9.5416 9.5567 9.5567 10.7023 10.7023 10.7195 10.7195 k = 0.0000 0.5000 0.1951 ( 5686 PWs) bands (ev): -19.7782 -19.7782 -19.7782 -19.7782 -8.5252 -8.5252 -8.5218 -8.5218 -6.6144 -6.6144 -6.5040 -6.5040 -5.8055 -5.8055 -5.5659 -5.5659 -4.4601 -4.4601 -4.4105 -4.4105 -4.2329 -4.2329 -4.0554 -4.0554 -2.5521 -2.5521 -2.5041 -2.5041 1.8753 1.8753 1.8831 1.8831 2.4594 2.4594 2.4874 2.4874 3.5670 3.5670 3.5994 3.5994 4.7812 4.7812 4.7883 4.7883 5.1795 5.1795 5.2126 5.2126 5.6529 5.6529 5.6746 5.6746 6.9092 6.9092 6.9177 6.9177 9.3367 9.3367 9.3518 9.3518 9.5815 9.5815 9.5974 9.5974 10.7162 10.7162 10.7340 10.7340 k = 0.0000 0.5000 0.2168 ( 5698 PWs) bands (ev): -19.7772 -19.7772 -19.7772 -19.7772 -8.5201 -8.5201 -8.5166 -8.5166 -6.6168 -6.6168 -6.4985 -6.4985 -5.8143 -5.8143 -5.5577 -5.5577 -4.4735 -4.4735 -4.4186 -4.4186 -4.2379 -4.2379 -4.0547 -4.0547 -2.5617 -2.5617 -2.5103 -2.5103 1.8622 1.8622 1.8706 1.8706 2.4464 2.4464 2.4770 2.4770 3.5507 3.5507 3.5837 3.5837 4.7767 4.7767 4.7850 4.7850 5.2126 5.2126 5.2481 5.2481 5.6321 5.6321 5.6552 5.6552 6.9058 6.9058 6.9149 6.9149 9.3531 9.3531 9.3690 9.3690 9.6250 9.6250 9.6412 9.6412 10.7345 10.7345 10.7527 10.7527 k = 0.0000 0.5000 0.2384 ( 5698 PWs) bands (ev): -19.7761 -19.7761 -19.7761 -19.7761 -8.5147 -8.5147 -8.5109 -8.5109 -6.6190 -6.6190 -6.4931 -6.4931 -5.8228 -5.8228 -5.5495 -5.5495 -4.4881 -4.4881 -4.4267 -4.4267 -4.2424 -4.2424 -4.0553 -4.0553 -2.5719 -2.5719 -2.5174 -2.5174 1.8479 1.8479 1.8570 1.8570 2.4332 2.4332 2.4663 2.4663 3.5342 3.5342 3.5677 3.5677 4.7729 4.7729 4.7824 4.7824 5.2450 5.2450 5.2829 5.2829 5.6109 5.6109 5.6356 5.6356 6.9015 6.9015 6.9113 6.9113 9.3703 9.3703 9.3868 9.3868 9.6710 9.6710 9.6872 9.6872 10.7578 10.7578 10.7764 10.7764 k = 0.0000 0.5000 0.2601 ( 5690 PWs) bands (ev): -19.7749 -19.7749 -19.7749 -19.7749 -8.5088 -8.5088 -8.5049 -8.5049 -6.6212 -6.6212 -6.4881 -6.4881 -5.8309 -5.8309 -5.5413 -5.5413 -4.5034 -4.5034 -4.4346 -4.4346 -4.2468 -4.2468 -4.0573 -4.0573 -2.5825 -2.5825 -2.5255 -2.5255 1.8327 1.8327 1.8423 1.8423 2.4198 2.4198 2.4553 2.4553 3.5176 3.5176 3.5516 3.5516 4.7696 4.7696 4.7802 4.7802 5.2760 5.2760 5.3164 5.3164 5.5900 5.5900 5.6161 5.6161 6.8964 6.8964 6.9069 6.9069 9.3885 9.3885 9.4053 9.4053 9.7185 9.7185 9.7344 9.7344 10.7865 10.7865 10.8055 10.8055 k = 0.0000 0.5000 0.2818 ( 5686 PWs) bands (ev): -19.7736 -19.7736 -19.7736 -19.7736 -8.5026 -8.5026 -8.4985 -8.4985 -6.6233 -6.6233 -6.4835 -6.4835 -5.8382 -5.8382 -5.5333 -5.5333 -4.5194 -4.5194 -4.4421 -4.4421 -4.2510 -4.2510 -4.0606 -4.0606 -2.5936 -2.5936 -2.5345 -2.5345 1.8165 1.8165 1.8266 1.8266 2.4064 2.4064 2.4443 2.4443 3.5012 3.5012 3.5356 3.5356 4.7667 4.7667 4.7784 4.7784 5.3051 5.3051 5.3479 5.3479 5.5697 5.5697 5.5972 5.5972 6.8904 6.8904 6.9017 6.9017 9.4076 9.4076 9.4247 9.4247 9.7662 9.7662 9.7817 9.7817 10.8211 10.8211 10.8404 10.8404 k = 0.0000 0.5000 0.3035 ( 5694 PWs) bands (ev): -19.7723 -19.7723 -19.7723 -19.7723 -8.4961 -8.4961 -8.4918 -8.4918 -6.6252 -6.6252 -6.4794 -6.4794 -5.8448 -5.8448 -5.5254 -5.5254 -4.5357 -4.5357 -4.4491 -4.4491 -4.2554 -4.2554 -4.0653 -4.0653 -2.6050 -2.6050 -2.5443 -2.5443 1.7996 1.7996 1.8101 1.8101 2.3932 2.3932 2.4332 2.4332 3.4851 3.4851 3.5198 3.5198 4.7643 4.7643 4.7770 4.7770 5.3317 5.3317 5.3765 5.3765 5.5509 5.5509 5.5793 5.5793 6.8835 6.8835 6.8956 6.8956 9.4278 9.4278 9.4450 9.4450 9.8131 9.8131 9.8280 9.8280 10.8618 10.8618 10.8815 10.8815 k = 0.0000 0.5000 0.3251 ( 5686 PWs) bands (ev): -19.7709 -19.7709 -19.7709 -19.7709 -8.4893 -8.4893 -8.4848 -8.4848 -6.6271 -6.6271 -6.4761 -6.4761 -5.8503 -5.8503 -5.5179 -5.5179 -4.5519 -4.5519 -4.4557 -4.4557 -4.2600 -4.2600 -4.0713 -4.0713 -2.6166 -2.6166 -2.5549 -2.5549 1.7821 1.7821 1.7929 1.7929 2.3801 2.3801 2.4223 2.4223 3.4695 3.4695 3.5043 3.5043 4.7622 4.7622 4.7757 4.7757 5.3553 5.3553 5.4009 5.4009 5.5348 5.5348 5.5629 5.5629 6.8758 6.8758 6.8887 6.8887 9.4490 9.4490 9.4662 9.4662 9.8581 9.8581 9.8724 9.8724 10.9087 10.9087 10.9291 10.9291 k = 0.0000 0.5000 0.3468 ( 5684 PWs) bands (ev): -19.7695 -19.7695 -19.7695 -19.7695 -8.4823 -8.4823 -8.4777 -8.4777 -6.6289 -6.6289 -6.4735 -6.4735 -5.8547 -5.8547 -5.5106 -5.5106 -4.5679 -4.5679 -4.4617 -4.4617 -4.2648 -4.2648 -4.0785 -4.0785 -2.6286 -2.6286 -2.5661 -2.5661 1.7642 1.7642 1.7752 1.7752 2.3673 2.3673 2.4114 2.4114 3.4543 3.4543 3.4892 3.4892 4.7605 4.7605 4.7746 4.7746 5.3750 5.3750 5.4186 5.4186 5.5237 5.5237 5.5490 5.5490 6.8673 6.8673 6.8810 6.8810 9.4712 9.4712 9.4884 9.4884 9.9003 9.9003 9.9140 9.9140 10.9618 10.9618 10.9830 10.9830 k = 0.0000 0.5000 0.3685 ( 5688 PWs) bands (ev): -19.7680 -19.7680 -19.7680 -19.7680 -8.4751 -8.4751 -8.4703 -8.4703 -6.6306 -6.6306 -6.4718 -6.4718 -5.8579 -5.8579 -5.5038 -5.5038 -4.5834 -4.5834 -4.4672 -4.4672 -4.2700 -4.2700 -4.0871 -4.0871 -2.6406 -2.6406 -2.5780 -2.5780 1.7460 1.7460 1.7572 1.7572 2.3548 2.3548 2.4006 2.4006 3.4398 3.4398 3.4746 3.4746 4.7589 4.7589 4.7736 4.7736 5.3902 5.3902 5.4266 5.4266 5.5203 5.5203 5.5385 5.5385 6.8580 6.8580 6.8726 6.8726 9.4944 9.4944 9.5116 9.5116 9.9388 9.9388 9.9519 9.9519 11.0207 11.0207 11.0432 11.0432 k = 0.0000 0.5000 0.3902 ( 5684 PWs) bands (ev): -19.7666 -19.7666 -19.7666 -19.7666 -8.4677 -8.4677 -8.4629 -8.4629 -6.6322 -6.6322 -6.4711 -6.4711 -5.8598 -5.8598 -5.4974 -5.4974 -4.5981 -4.5981 -4.4722 -4.4722 -4.2756 -4.2756 -4.0968 -4.0968 -2.6528 -2.6528 -2.5904 -2.5904 1.7277 1.7277 1.7390 1.7390 2.3427 2.3427 2.3899 2.3899 3.4259 3.4259 3.4606 3.4606 4.7576 4.7576 4.7727 4.7727 5.3998 5.3998 5.4244 5.4244 5.5236 5.5236 5.5341 5.5341 6.8479 6.8479 6.8634 6.8634 9.5184 9.5184 9.5355 9.5355 9.9729 9.9729 9.9856 9.9856 11.0851 11.0851 11.1093 11.1093 k = 0.0000 0.5000 0.4118 ( 5696 PWs) bands (ev): -19.7651 -19.7651 -19.7651 -19.7651 -8.4603 -8.4603 -8.4553 -8.4553 -6.6336 -6.6336 -6.4713 -6.4713 -5.8602 -5.8602 -5.4915 -5.4915 -4.6118 -4.6118 -4.4767 -4.4767 -4.2816 -4.2816 -4.1077 -4.1077 -2.6650 -2.6650 -2.6033 -2.6033 1.7095 1.7095 1.7209 1.7209 2.3310 2.3310 2.3794 2.3794 3.4127 3.4127 3.4472 3.4472 4.7563 4.7563 4.7717 4.7717 5.4032 5.4032 5.4162 5.4162 5.5250 5.5250 5.5410 5.5410 6.8372 6.8372 6.8536 6.8536 9.5432 9.5432 9.5602 9.5602 10.0023 10.0023 10.0146 10.0146 11.1539 11.1539 11.1806 11.1806 k = 0.0000 0.5000 0.4335 ( 5698 PWs) bands (ev): -19.7636 -19.7636 -19.7636 -19.7636 -8.4528 -8.4528 -8.4478 -8.4478 -6.6350 -6.6350 -6.4726 -6.4726 -5.8591 -5.8591 -5.4862 -5.4862 -4.6244 -4.6244 -4.4806 -4.4806 -4.2881 -4.2881 -4.1196 -4.1196 -2.6771 -2.6771 -2.6165 -2.6165 1.6916 1.6916 1.7029 1.7029 2.3197 2.3197 2.3690 2.3690 3.4003 3.4003 3.4345 3.4345 4.7552 4.7552 4.7706 4.7706 5.3989 5.3989 5.4078 5.4078 5.5267 5.5267 5.5526 5.5526 6.8259 6.8259 6.8433 6.8433 9.5685 9.5685 9.5853 9.5853 10.0267 10.0267 10.0388 10.0388 11.2259 11.2259 11.2560 11.2560 k = 0.0000 0.5000 0.4552 ( 5706 PWs) bands (ev): -19.7621 -19.7621 -19.7621 -19.7621 -8.4454 -8.4454 -8.4402 -8.4402 -6.6363 -6.6363 -6.4748 -6.4748 -5.8566 -5.8566 -5.4816 -5.4816 -4.6357 -4.6357 -4.4840 -4.4840 -4.2950 -4.2950 -4.1324 -4.1324 -2.6891 -2.6891 -2.6298 -2.6298 1.6740 1.6740 1.6853 1.6853 2.3088 2.3088 2.3588 2.3588 3.3887 3.3887 3.4224 3.4224 4.7541 4.7541 4.7695 4.7695 5.3883 5.3883 5.4018 5.4018 5.5301 5.5301 5.5643 5.5643 6.8141 6.8141 6.8325 6.8325 9.5941 9.5941 9.6109 9.6109 10.0460 10.0460 10.0582 10.0582 11.2994 11.2994 11.3340 11.3340 k = 0.0000 0.5000 0.4769 ( 5694 PWs) bands (ev): -19.7607 -19.7607 -19.7607 -19.7607 -8.4380 -8.4380 -8.4328 -8.4328 -6.6374 -6.6374 -6.4781 -6.4781 -5.8527 -5.8527 -5.4778 -5.4778 -4.6455 -4.6455 -4.4869 -4.4869 -4.3023 -4.3023 -4.1462 -4.1462 -2.7008 -2.7008 -2.6433 -2.6433 1.6569 1.6569 1.6682 1.6682 2.2984 2.2984 2.3488 2.3488 3.3779 3.3779 3.4110 3.4110 4.7529 4.7529 4.7682 4.7682 5.3765 5.3765 5.3955 5.3955 5.5343 5.5343 5.5746 5.5746 6.8020 6.8020 6.8213 6.8213 9.6199 9.6199 9.6366 9.6366 10.0604 10.0604 10.0728 10.0728 11.3721 11.3721 11.4124 11.4124 k = 0.0000 0.5000 0.4985 ( 5702 PWs) bands (ev): -19.7593 -19.7593 -19.7593 -19.7593 -8.4307 -8.4307 -8.4255 -8.4255 -6.6384 -6.6384 -6.4821 -6.4821 -5.8474 -5.8474 -5.4748 -5.4748 -4.6537 -4.6537 -4.4892 -4.4892 -4.3100 -4.3100 -4.1607 -4.1607 -2.7122 -2.7122 -2.6568 -2.6568 1.6404 1.6404 1.6516 1.6516 2.2885 2.2885 2.3389 2.3389 3.3680 3.3680 3.4003 3.4003 4.7517 4.7517 4.7668 4.7668 5.3651 5.3651 5.3889 5.3889 5.5384 5.5384 5.5832 5.5832 6.7896 6.7896 6.8099 6.8099 9.6457 9.6457 9.6623 9.6623 10.0703 10.0703 10.0830 10.0830 11.4417 11.4417 11.4880 11.4880 k = 0.0000 0.5000 0.5202 ( 5706 PWs) bands (ev): -19.7579 -19.7579 -19.7579 -19.7579 -8.4236 -8.4236 -8.4183 -8.4183 -6.6391 -6.6391 -6.4870 -6.4870 -5.8409 -5.8409 -5.4726 -5.4726 -4.6602 -4.6602 -4.4911 -4.4911 -4.3181 -4.3181 -4.1758 -4.1758 -2.7232 -2.7232 -2.6702 -2.6702 1.6247 1.6247 1.6358 1.6358 2.2791 2.2791 2.3292 2.3292 3.3589 3.3589 3.3904 3.3904 4.7505 4.7505 4.7652 4.7652 5.3548 5.3548 5.3826 5.3826 5.5418 5.5418 5.5898 5.5898 6.7770 6.7770 6.7984 6.7984 9.6711 9.6711 9.6877 9.6877 10.0759 10.0759 10.0890 10.0890 11.5062 11.5062 11.5577 11.5577 k = 0.0000 0.5000 0.5419 ( 5702 PWs) bands (ev): -19.7565 -19.7565 -19.7565 -19.7565 -8.4167 -8.4167 -8.4114 -8.4114 -6.6398 -6.6398 -6.4926 -6.4926 -5.8332 -5.8332 -5.4714 -5.4714 -4.6651 -4.6651 -4.4925 -4.4925 -4.3265 -4.3265 -4.1915 -4.1915 -2.7338 -2.7338 -2.6834 -2.6834 1.6097 1.6097 1.6207 1.6207 2.2703 2.2703 2.3198 2.3198 3.3506 3.3506 3.3811 3.3811 4.7491 4.7491 4.7634 4.7634 5.3456 5.3456 5.3770 5.3770 5.5443 5.5443 5.5945 5.5945 6.7645 6.7645 6.7869 6.7869 9.6960 9.6960 9.7127 9.7127 10.0777 10.0777 10.0914 10.0914 11.5648 11.5648 11.6193 11.6193 k = 0.0000 0.5000 0.5636 ( 5690 PWs) bands (ev): -19.7553 -19.7553 -19.7553 -19.7553 -8.4101 -8.4101 -8.4048 -8.4048 -6.6402 -6.6402 -6.4986 -6.4986 -5.8246 -5.8246 -5.4711 -5.4711 -4.6681 -4.6681 -4.4935 -4.4935 -4.3352 -4.3352 -4.2075 -4.2075 -2.7437 -2.7437 -2.6962 -2.6962 1.5957 1.5957 1.6066 1.6066 2.2620 2.2620 2.3106 2.3106 3.3432 3.3432 3.3725 3.3725 4.7476 4.7476 4.7614 4.7614 5.3378 5.3378 5.3723 5.3723 5.5457 5.5457 5.5974 5.5974 6.7521 6.7521 6.7756 6.7756 9.7203 9.7203 9.7370 9.7370 10.0763 10.0763 10.0906 10.0906 11.6181 11.6181 11.6736 11.6736 k = 0.0000 0.5000 0.5852 ( 5704 PWs) bands (ev): -19.7541 -19.7541 -19.7541 -19.7541 -8.4038 -8.4038 -8.3986 -8.3986 -6.6404 -6.6404 -6.5051 -6.5051 -5.8152 -5.8152 -5.4718 -5.4718 -4.6695 -4.6695 -4.4941 -4.4941 -4.3440 -4.3440 -4.2237 -4.2237 -2.7530 -2.7530 -2.7086 -2.7086 1.5826 1.5826 1.5934 1.5934 2.2543 2.2543 2.3018 2.3018 3.3366 3.3366 3.3646 3.3646 4.7460 4.7460 4.7592 4.7592 5.3314 5.3314 5.3688 5.3688 5.5460 5.5460 5.5986 5.5986 6.7401 6.7401 6.7646 6.7646 9.7437 9.7437 9.7605 9.7605 10.0722 10.0722 10.0871 10.0871 11.6674 11.6674 11.7228 11.7228 k = 0.0000 0.5000 0.6069 ( 5690 PWs) bands (ev): -19.7529 -19.7529 -19.7529 -19.7529 -8.3979 -8.3979 -8.3927 -8.3927 -6.6403 -6.6403 -6.5119 -6.5119 -5.8052 -5.8052 -5.4733 -5.4733 -4.6691 -4.6691 -4.4944 -4.4944 -4.3528 -4.3528 -4.2400 -4.2400 -2.7615 -2.7615 -2.7205 -2.7205 1.5705 1.5705 1.5812 1.5812 2.2473 2.2473 2.2933 2.2933 3.3308 3.3308 3.3574 3.3574 4.7443 4.7443 4.7570 4.7570 5.3262 5.3262 5.3664 5.3664 5.5455 5.5455 5.5982 5.5982 6.7285 6.7285 6.7540 6.7540 9.7661 9.7661 9.7831 9.7831 10.0657 10.0657 10.0813 10.0813 11.7138 11.7138 11.7688 11.7688 k = 0.0000 0.5000 0.6286 ( 5682 PWs) bands (ev): -19.7519 -19.7519 -19.7519 -19.7519 -8.3924 -8.3924 -8.3872 -8.3872 -6.6401 -6.6401 -6.5187 -6.5187 -5.7949 -5.7949 -5.4756 -5.4756 -4.6671 -4.6671 -4.4946 -4.4946 -4.3615 -4.3615 -4.2561 -4.2561 -2.7693 -2.7693 -2.7318 -2.7318 1.5595 1.5595 1.5701 1.5701 2.2410 2.2410 2.2853 2.2853 3.3259 3.3259 3.3509 3.3509 4.7426 4.7426 4.7546 4.7546 5.3224 5.3224 5.3651 5.3651 5.5441 5.5441 5.5965 5.5965 6.7176 6.7176 6.7440 6.7440 9.7875 9.7875 9.8047 9.8047 10.0575 10.0575 10.0737 10.0737 11.7581 11.7581 11.8128 11.8128 k = 0.0000 0.5000 0.6503 ( 5686 PWs) bands (ev): -19.7509 -19.7509 -19.7509 -19.7509 -8.3873 -8.3873 -8.3822 -8.3822 -6.6396 -6.6396 -6.5255 -6.5255 -5.7844 -5.7844 -5.4786 -5.4786 -4.6636 -4.6636 -4.4947 -4.4947 -4.3699 -4.3699 -4.2718 -4.2718 -2.7761 -2.7761 -2.7423 -2.7423 1.5495 1.5495 1.5601 1.5601 2.2353 2.2353 2.2777 2.2777 3.3216 3.3216 3.3449 3.3449 4.7408 4.7408 4.7521 4.7521 5.3198 5.3198 5.3648 5.3648 5.5420 5.5420 5.5936 5.5936 6.7074 6.7074 6.7348 6.7348 9.8077 9.8077 9.8252 9.8252 10.0478 10.0478 10.0646 10.0646 11.8003 11.8003 11.8549 11.8549 k = 0.0000 0.5000 0.6719 ( 5686 PWs) bands (ev): -19.7500 -19.7500 -19.7500 -19.7500 -8.3827 -8.3827 -8.3777 -8.3777 -6.6389 -6.6389 -6.5320 -6.5320 -5.7740 -5.7740 -5.4822 -5.4822 -4.6589 -4.6589 -4.4951 -4.4951 -4.3777 -4.3777 -4.2869 -4.2869 -2.7821 -2.7821 -2.7521 -2.7521 1.5407 1.5407 1.5512 1.5512 2.2304 2.2304 2.2708 2.2708 3.3181 3.3181 3.3396 3.3396 4.7391 4.7391 4.7497 4.7497 5.3183 5.3183 5.3654 5.3654 5.5395 5.5395 5.5898 5.5898 6.6981 6.6981 6.7264 6.7264 9.8269 9.8269 9.8446 9.8446 10.0372 10.0372 10.0545 10.0545 11.8402 11.8402 11.8949 11.8949 k = 0.0000 0.5000 0.6936 ( 5694 PWs) bands (ev): -19.7493 -19.7493 -19.7493 -19.7493 -8.3787 -8.3787 -8.3738 -8.3738 -6.6380 -6.6380 -6.5382 -6.5382 -5.7640 -5.7640 -5.4861 -5.4861 -4.6532 -4.6532 -4.4958 -4.4958 -4.3845 -4.3845 -4.3012 -4.3012 -2.7871 -2.7871 -2.7610 -2.7610 1.5330 1.5330 1.5434 1.5434 2.2262 2.2262 2.2645 2.2645 3.3153 3.3153 3.3350 3.3350 4.7374 4.7374 4.7474 4.7474 5.3177 5.3177 5.3667 5.3667 5.5369 5.5369 5.5854 5.5854 6.6898 6.6898 6.7189 6.7189 9.8449 9.8449 9.8628 9.8628 10.0258 10.0258 10.0435 10.0435 11.8772 11.8772 11.9317 11.9317 k = 0.0000 0.5000 0.7153 ( 5686 PWs) bands (ev): -19.7486 -19.7486 -19.7486 -19.7486 -8.3752 -8.3752 -8.3704 -8.3704 -6.6371 -6.6371 -6.5439 -6.5439 -5.7548 -5.7548 -5.4902 -5.4902 -4.6469 -4.6469 -4.4971 -4.4971 -4.3902 -4.3902 -4.3144 -4.3144 -2.7911 -2.7911 -2.7689 -2.7689 1.5265 1.5265 1.5368 1.5368 2.2227 2.2227 2.2589 2.2589 3.3131 3.3131 3.3309 3.3309 4.7359 4.7359 4.7452 4.7452 5.3177 5.3177 5.3684 5.3684 5.5342 5.5342 5.5808 5.5808 6.6827 6.6827 6.7124 6.7124 9.8619 9.8619 9.8798 9.8798 10.0141 10.0141 10.0320 10.0320 11.9105 11.9105 11.9645 11.9645 k = 0.0000 0.5000 0.7370 ( 5686 PWs) bands (ev): -19.7481 -19.7481 -19.7481 -19.7481 -8.3723 -8.3723 -8.3676 -8.3676 -6.6360 -6.6360 -6.5489 -6.5489 -5.7465 -5.7465 -5.4941 -5.4941 -4.6404 -4.6404 -4.4990 -4.4990 -4.3944 -4.3944 -4.3262 -4.3262 -2.7940 -2.7940 -2.7759 -2.7759 1.5212 1.5212 1.5315 1.5315 2.2199 2.2199 2.2542 2.2542 3.3115 3.3115 3.3275 3.3275 4.7346 4.7346 4.7433 4.7433 5.3182 5.3182 5.3703 5.3703 5.5317 5.5317 5.5761 5.5761 6.6767 6.6767 6.7070 6.7070 9.8779 9.8779 9.8955 9.8955 10.0023 10.0023 10.0201 10.0201 11.9391 11.9391 11.9921 11.9921 k = 0.0000 0.5000 0.7587 ( 5698 PWs) bands (ev): -19.7476 -19.7476 -19.7476 -19.7476 -8.3701 -8.3701 -8.3653 -8.3653 -6.6351 -6.6351 -6.5531 -6.5531 -5.7396 -5.7396 -5.4976 -5.4976 -4.6341 -4.6341 -4.5013 -4.5013 -4.3970 -4.3970 -4.3363 -4.3363 -2.7959 -2.7959 -2.7818 -2.7818 1.5170 1.5170 1.5273 1.5273 2.2178 2.2178 2.2504 2.2504 3.3104 3.3104 3.3247 3.3247 4.7336 4.7336 4.7417 4.7417 5.3189 5.3189 5.3722 5.3722 5.5297 5.5297 5.5719 5.5719 6.6720 6.6720 6.7028 6.7028 9.8927 9.8927 9.9096 9.9096 9.9911 9.9911 10.0082 10.0082 11.9623 11.9623 12.0137 12.0137 k = 0.0000 0.5000 0.7803 ( 5698 PWs) bands (ev): -19.7473 -19.7473 -19.7473 -19.7473 -8.3684 -8.3684 -8.3637 -8.3637 -6.6343 -6.6343 -6.5562 -6.5562 -5.7344 -5.7344 -5.5004 -5.5004 -4.6289 -4.6289 -4.5037 -4.5037 -4.3983 -4.3983 -4.3441 -4.3441 -2.7968 -2.7968 -2.7865 -2.7865 1.5140 1.5140 1.5242 1.5242 2.2163 2.2163 2.2476 2.2476 3.3097 3.3097 3.3226 3.3226 4.7328 4.7328 4.7405 4.7405 5.3196 5.3196 5.3737 5.3737 5.5282 5.5282 5.5685 5.5685 6.6686 6.6686 6.6997 6.6997 9.9064 9.9064 9.9212 9.9212 9.9813 9.9813 9.9966 9.9966 11.9792 11.9792 12.0291 12.0291 k = 0.0000 0.5000 0.8020 ( 5694 PWs) bands (ev): -19.7472 -19.7472 -19.7472 -19.7472 -8.3675 -8.3675 -8.3628 -8.3628 -6.6337 -6.6337 -6.5581 -6.5581 -5.7312 -5.7312 -5.5021 -5.5021 -4.6254 -4.6254 -4.5056 -4.5056 -4.3986 -4.3986 -4.3493 -4.3493 -2.7968 -2.7968 -2.7898 -2.7898 1.5122 1.5122 1.5224 1.5224 2.2154 2.2154 2.2459 2.2459 3.3094 3.3094 3.3214 3.3214 4.7323 4.7323 4.7398 4.7398 5.3201 5.3201 5.3747 5.3747 5.5272 5.5272 5.5663 5.5663 6.6665 6.6665 6.6979 6.6979 9.9181 9.9181 9.9278 9.9278 9.9755 9.9755 9.9862 9.9862 11.9896 11.9896 12.0383 12.0383 k = 0.0000 0.5000 0.8237 ( 5704 PWs) bands (ev): -19.7471 -19.7471 -19.7471 -19.7471 -8.3671 -8.3671 -8.3625 -8.3625 -6.6335 -6.6335 -6.5588 -6.5588 -5.7301 -5.7301 -5.5028 -5.5028 -4.6242 -4.6242 -4.5063 -4.5063 -4.3987 -4.3987 -4.3510 -4.3510 -2.7967 -2.7967 -2.7911 -2.7911 1.5116 1.5116 1.5218 1.5218 2.2151 2.2151 2.2453 2.2453 3.3093 3.3093 3.3209 3.3209 4.7322 4.7322 4.7395 4.7395 5.3203 5.3203 5.3751 5.3751 5.5269 5.5269 5.5655 5.5655 6.6658 6.6658 6.6972 6.6972 9.9259 9.9259 9.9270 9.9270 9.9753 9.9753 9.9802 9.9802 11.9930 11.9930 12.0413 12.0413 k = 0.5000 0.5000-0.0000 ( 5708 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6128 -8.6128 -8.6128 -8.6128 -6.3472 -6.3472 -6.3472 -6.3472 -5.6939 -5.6939 -5.6939 -5.6939 -4.4939 -4.4939 -4.4939 -4.4939 -4.2811 -4.2811 -4.2811 -4.2811 -2.3363 -2.3363 -2.3363 -2.3363 1.4808 1.4808 1.4808 1.4808 3.2429 3.2429 3.2429 3.2429 3.3295 3.3295 3.3295 3.3295 4.9130 4.9130 4.9130 4.9130 5.3591 5.3591 5.3591 5.3591 5.8377 5.8377 5.8377 5.8377 6.2562 6.2562 6.2562 6.2562 8.9451 8.9451 8.9451 8.9451 9.4145 9.4145 9.4145 9.4145 11.1448 11.1448 11.1448 11.1448 k = 0.5000 0.5000 0.0217 ( 5708 PWs) bands (ev): -19.7827 -19.7827 -19.7827 -19.7827 -8.6124 -8.6124 -8.6124 -8.6124 -6.3477 -6.3477 -6.3477 -6.3477 -5.6938 -5.6938 -5.6938 -5.6938 -4.4938 -4.4938 -4.4938 -4.4938 -4.2811 -4.2811 -4.2811 -4.2811 -2.3373 -2.3373 -2.3373 -2.3373 1.4810 1.4810 1.4810 1.4810 3.2407 3.2407 3.2407 3.2407 3.3292 3.3292 3.3292 3.3292 4.9157 4.9157 4.9157 4.9157 5.3575 5.3575 5.3575 5.3575 5.8354 5.8354 5.8354 5.8354 6.2571 6.2571 6.2571 6.2571 8.9460 8.9460 8.9460 8.9460 9.4189 9.4189 9.4189 9.4189 11.1461 11.1461 11.1461 11.1461 k = 0.5000 0.5000 0.0434 ( 5692 PWs) bands (ev): -19.7825 -19.7825 -19.7825 -19.7825 -8.6112 -8.6112 -8.6112 -8.6112 -6.3495 -6.3495 -6.3495 -6.3495 -5.6934 -5.6934 -5.6934 -5.6934 -4.4935 -4.4935 -4.4935 -4.4935 -4.2812 -4.2812 -4.2812 -4.2812 -2.3404 -2.3404 -2.3404 -2.3404 1.4814 1.4814 1.4814 1.4814 3.2341 3.2341 3.2341 3.2341 3.3283 3.3283 3.3283 3.3283 4.9236 4.9236 4.9236 4.9236 5.3526 5.3526 5.3526 5.3526 5.8285 5.8285 5.8285 5.8285 6.2598 6.2598 6.2598 6.2598 8.9484 8.9484 8.9484 8.9484 9.4320 9.4320 9.4320 9.4320 11.1501 11.1501 11.1501 11.1501 k = 0.5000 0.5000 0.0650 ( 5676 PWs) bands (ev): -19.7822 -19.7822 -19.7822 -19.7822 -8.6092 -8.6092 -8.6092 -8.6092 -6.3523 -6.3523 -6.3523 -6.3523 -5.6927 -5.6927 -5.6927 -5.6927 -4.4930 -4.4930 -4.4930 -4.4930 -4.2813 -4.2813 -4.2813 -4.2813 -2.3455 -2.3455 -2.3455 -2.3455 1.4822 1.4822 1.4822 1.4822 3.2232 3.2232 3.2232 3.2232 3.3269 3.3269 3.3269 3.3269 4.9365 4.9365 4.9365 4.9365 5.3446 5.3446 5.3446 5.3446 5.8171 5.8171 5.8171 5.8171 6.2644 6.2644 6.2644 6.2644 8.9526 8.9526 8.9526 8.9526 9.4535 9.4535 9.4535 9.4535 11.1567 11.1567 11.1567 11.1567 k = 0.5000 0.5000 0.0867 ( 5668 PWs) bands (ev): -19.7818 -19.7818 -19.7818 -19.7818 -8.6064 -8.6064 -8.6064 -8.6064 -6.3563 -6.3563 -6.3563 -6.3563 -5.6918 -5.6918 -5.6918 -5.6918 -4.4924 -4.4924 -4.4924 -4.4924 -4.2815 -4.2815 -4.2815 -4.2815 -2.3526 -2.3526 -2.3526 -2.3526 1.4831 1.4831 1.4831 1.4831 3.2083 3.2083 3.2083 3.2083 3.3250 3.3250 3.3250 3.3250 4.9540 4.9540 4.9540 4.9540 5.3335 5.3335 5.3335 5.3335 5.8014 5.8014 5.8014 5.8014 6.2708 6.2708 6.2708 6.2708 8.9583 8.9583 8.9583 8.9583 9.4830 9.4830 9.4830 9.4830 11.1659 11.1659 11.1659 11.1659 k = 0.5000 0.5000 0.1084 ( 5672 PWs) bands (ev): -19.7812 -19.7812 -19.7812 -19.7812 -8.6029 -8.6029 -8.6029 -8.6029 -6.3614 -6.3614 -6.3614 -6.3614 -5.6907 -5.6907 -5.6907 -5.6907 -4.4915 -4.4915 -4.4915 -4.4915 -4.2816 -4.2816 -4.2816 -4.2816 -2.3617 -2.3617 -2.3617 -2.3617 1.4842 1.4842 1.4842 1.4842 3.1898 3.1898 3.1898 3.1898 3.3227 3.3227 3.3227 3.3227 4.9759 4.9759 4.9759 4.9759 5.3194 5.3194 5.3194 5.3194 5.7817 5.7817 5.7817 5.7817 6.2790 6.2790 6.2790 6.2790 8.9658 8.9658 8.9658 8.9658 9.5198 9.5198 9.5198 9.5198 11.1776 11.1776 11.1776 11.1776 k = 0.5000 0.5000 0.1301 ( 5676 PWs) bands (ev): -19.7806 -19.7806 -19.7806 -19.7806 -8.5986 -8.5986 -8.5986 -8.5986 -6.3675 -6.3675 -6.3675 -6.3675 -5.6894 -5.6894 -5.6894 -5.6894 -4.4905 -4.4905 -4.4905 -4.4905 -4.2818 -4.2818 -4.2818 -4.2818 -2.3725 -2.3725 -2.3725 -2.3725 1.4855 1.4855 1.4855 1.4855 3.1680 3.1680 3.1680 3.1680 3.3200 3.3200 3.3200 3.3200 5.0014 5.0014 5.0014 5.0014 5.3025 5.3025 5.3025 5.3025 5.7583 5.7583 5.7583 5.7583 6.2891 6.2891 6.2891 6.2891 8.9750 8.9750 8.9750 8.9750 9.5632 9.5632 9.5632 9.5632 11.1917 11.1917 11.1917 11.1917 k = 0.5000 0.5000 0.1517 ( 5684 PWs) bands (ev): -19.7798 -19.7798 -19.7798 -19.7798 -8.5936 -8.5936 -8.5936 -8.5936 -6.3747 -6.3747 -6.3747 -6.3747 -5.6879 -5.6879 -5.6879 -5.6879 -4.4894 -4.4894 -4.4894 -4.4894 -4.2819 -4.2819 -4.2819 -4.2819 -2.3852 -2.3852 -2.3852 -2.3852 1.4867 1.4867 1.4867 1.4867 3.1434 3.1434 3.1434 3.1434 3.3172 3.3172 3.3172 3.3172 5.0301 5.0301 5.0301 5.0301 5.2830 5.2830 5.2830 5.2830 5.7317 5.7317 5.7317 5.7317 6.3009 6.3009 6.3009 6.3009 8.9860 8.9860 8.9860 8.9860 9.6124 9.6124 9.6124 9.6124 11.2081 11.2081 11.2081 11.2081 k = 0.5000 0.5000 0.1734 ( 5684 PWs) bands (ev): -19.7790 -19.7790 -19.7790 -19.7790 -8.5878 -8.5878 -8.5878 -8.5878 -6.3828 -6.3828 -6.3828 -6.3828 -5.6863 -5.6863 -5.6863 -5.6863 -4.4881 -4.4881 -4.4881 -4.4881 -4.2820 -4.2820 -4.2820 -4.2820 -2.3994 -2.3994 -2.3994 -2.3994 1.4878 1.4878 1.4878 1.4878 3.1164 3.1164 3.1164 3.1164 3.3142 3.3142 3.3142 3.3142 5.0614 5.0614 5.0614 5.0614 5.2611 5.2611 5.2611 5.2611 5.7024 5.7024 5.7024 5.7024 6.3144 6.3144 6.3144 6.3144 8.9987 8.9987 8.9987 8.9987 9.6664 9.6664 9.6664 9.6664 11.2266 11.2266 11.2266 11.2266 k = 0.5000 0.5000 0.1951 ( 5708 PWs) bands (ev): -19.7780 -19.7780 -19.7780 -19.7780 -8.5814 -8.5814 -8.5814 -8.5814 -6.3918 -6.3918 -6.3918 -6.3918 -5.6845 -5.6845 -5.6845 -5.6845 -4.4868 -4.4868 -4.4868 -4.4868 -4.2820 -4.2820 -4.2820 -4.2820 -2.4152 -2.4152 -2.4152 -2.4152 1.4887 1.4887 1.4887 1.4887 3.0876 3.0876 3.0876 3.0876 3.3112 3.3112 3.3112 3.3112 5.0947 5.0947 5.0947 5.0947 5.2371 5.2371 5.2371 5.2371 5.6708 5.6708 5.6708 5.6708 6.3294 6.3294 6.3294 6.3294 9.0131 9.0131 9.0131 9.0131 9.7242 9.7242 9.7242 9.7242 11.2470 11.2470 11.2470 11.2470 k = 0.5000 0.5000 0.2168 ( 5716 PWs) bands (ev): -19.7770 -19.7770 -19.7770 -19.7770 -8.5744 -8.5744 -8.5744 -8.5744 -6.4017 -6.4017 -6.4017 -6.4017 -5.6825 -5.6825 -5.6825 -5.6825 -4.4853 -4.4853 -4.4853 -4.4853 -4.2819 -4.2819 -4.2819 -4.2819 -2.4324 -2.4324 -2.4324 -2.4324 1.4893 1.4893 1.4893 1.4893 3.0572 3.0572 3.0572 3.0572 3.3083 3.3083 3.3083 3.3083 5.1291 5.1291 5.1291 5.1291 5.2115 5.2115 5.2115 5.2115 5.6373 5.6373 5.6373 5.6373 6.3456 6.3456 6.3456 6.3456 9.0292 9.0292 9.0292 9.0292 9.7848 9.7848 9.7848 9.7848 11.2687 11.2687 11.2687 11.2687 k = 0.5000 0.5000 0.2384 ( 5704 PWs) bands (ev): -19.7759 -19.7759 -19.7759 -19.7759 -8.5668 -8.5668 -8.5668 -8.5668 -6.4124 -6.4124 -6.4124 -6.4124 -5.6805 -5.6805 -5.6805 -5.6805 -4.4837 -4.4837 -4.4837 -4.4837 -4.2816 -4.2816 -4.2816 -4.2816 -2.4508 -2.4508 -2.4508 -2.4508 1.4895 1.4895 1.4895 1.4895 3.0257 3.0257 3.0257 3.0257 3.3056 3.3056 3.3056 3.3056 5.1604 5.1604 5.1604 5.1604 5.1883 5.1883 5.1883 5.1883 5.6026 5.6026 5.6026 5.6026 6.3630 6.3630 6.3630 6.3630 9.0470 9.0470 9.0470 9.0470 9.8471 9.8471 9.8471 9.8471 11.2915 11.2915 11.2915 11.2915 k = 0.5000 0.5000 0.2601 ( 5688 PWs) bands (ev): -19.7747 -19.7747 -19.7747 -19.7747 -8.5586 -8.5586 -8.5586 -8.5586 -6.4238 -6.4238 -6.4238 -6.4238 -5.6785 -5.6785 -5.6785 -5.6785 -4.4821 -4.4821 -4.4821 -4.4821 -4.2811 -4.2811 -4.2811 -4.2811 -2.4703 -2.4703 -2.4703 -2.4703 1.4891 1.4891 1.4891 1.4891 2.9934 2.9934 2.9934 2.9934 3.3033 3.3033 3.3033 3.3033 5.1495 5.1495 5.1495 5.1495 5.2064 5.2064 5.2064 5.2064 5.5669 5.5669 5.5669 5.5669 6.3812 6.3812 6.3812 6.3812 9.0664 9.0664 9.0664 9.0664 9.9101 9.9101 9.9101 9.9101 11.3147 11.3147 11.3147 11.3147 k = 0.5000 0.5000 0.2818 ( 5700 PWs) bands (ev): -19.7734 -19.7734 -19.7734 -19.7734 -8.5499 -8.5499 -8.5499 -8.5499 -6.4358 -6.4358 -6.4358 -6.4358 -5.6764 -5.6764 -5.6764 -5.6764 -4.4805 -4.4805 -4.4805 -4.4805 -4.2805 -4.2805 -4.2805 -4.2805 -2.4908 -2.4908 -2.4908 -2.4908 1.4881 1.4881 1.4881 1.4881 2.9607 2.9607 2.9607 2.9607 3.3014 3.3014 3.3014 3.3014 5.1200 5.1200 5.1200 5.1200 5.2420 5.2420 5.2420 5.2420 5.5307 5.5307 5.5307 5.5307 6.4000 6.4000 6.4000 6.4000 9.0873 9.0873 9.0873 9.0873 9.9727 9.9727 9.9727 9.9727 11.3378 11.3378 11.3378 11.3378 k = 0.5000 0.5000 0.3035 ( 5684 PWs) bands (ev): -19.7721 -19.7721 -19.7721 -19.7721 -8.5407 -8.5407 -8.5407 -8.5407 -6.4483 -6.4483 -6.4483 -6.4483 -5.6743 -5.6743 -5.6743 -5.6743 -4.4789 -4.4789 -4.4789 -4.4789 -4.2797 -4.2797 -4.2797 -4.2797 -2.5120 -2.5120 -2.5120 -2.5120 1.4863 1.4863 1.4863 1.4863 2.9277 2.9277 2.9277 2.9277 3.3001 3.3001 3.3001 3.3001 5.0884 5.0884 5.0884 5.0884 5.2783 5.2783 5.2783 5.2783 5.4945 5.4945 5.4945 5.4945 6.4192 6.4192 6.4192 6.4192 9.1095 9.1095 9.1095 9.1095 10.0340 10.0340 10.0340 10.0340 11.3602 11.3602 11.3602 11.3602 k = 0.5000 0.5000 0.3251 ( 5684 PWs) bands (ev): -19.7707 -19.7707 -19.7707 -19.7707 -8.5311 -8.5311 -8.5311 -8.5311 -6.4614 -6.4614 -6.4614 -6.4614 -5.6722 -5.6722 -5.6722 -5.6722 -4.4773 -4.4773 -4.4773 -4.4773 -4.2786 -4.2786 -4.2786 -4.2786 -2.5338 -2.5338 -2.5338 -2.5338 1.4838 1.4838 1.4838 1.4838 2.8949 2.8949 2.8949 2.8949 3.2996 3.2996 3.2996 3.2996 5.0559 5.0559 5.0559 5.0559 5.3141 5.3141 5.3141 5.3141 5.4586 5.4586 5.4586 5.4586 6.4386 6.4386 6.4386 6.4386 9.1328 9.1328 9.1328 9.1328 10.0929 10.0929 10.0929 10.0929 11.3817 11.3817 11.3817 11.3817 k = 0.5000 0.5000 0.3468 ( 5708 PWs) bands (ev): -19.7693 -19.7693 -19.7693 -19.7693 -8.5211 -8.5211 -8.5211 -8.5211 -6.4748 -6.4748 -6.4748 -6.4748 -5.6701 -5.6701 -5.6701 -5.6701 -4.4757 -4.4757 -4.4757 -4.4757 -4.2773 -4.2773 -4.2773 -4.2773 -2.5560 -2.5560 -2.5560 -2.5560 1.4803 1.4803 1.4803 1.4803 2.8622 2.8622 2.8622 2.8622 3.2999 3.2999 3.2999 3.2999 5.0227 5.0227 5.0227 5.0227 5.3478 5.3478 5.3478 5.3478 5.4244 5.4244 5.4244 5.4244 6.4579 6.4579 6.4579 6.4579 9.1571 9.1571 9.1571 9.1571 10.1485 10.1485 10.1485 10.1485 11.4021 11.4021 11.4021 11.4021 k = 0.5000 0.5000 0.3685 ( 5724 PWs) bands (ev): -19.7679 -19.7679 -19.7679 -19.7679 -8.5109 -8.5109 -8.5109 -8.5109 -6.4885 -6.4885 -6.4885 -6.4885 -5.6682 -5.6682 -5.6682 -5.6682 -4.4741 -4.4741 -4.4741 -4.4741 -4.2758 -4.2758 -4.2758 -4.2758 -2.5785 -2.5785 -2.5785 -2.5785 1.4760 1.4760 1.4760 1.4760 2.8300 2.8300 2.8300 2.8300 3.3012 3.3012 3.3012 3.3012 4.9892 4.9892 4.9892 4.9892 5.3681 5.3681 5.3681 5.3681 5.4033 5.4033 5.4033 5.4033 6.4770 6.4770 6.4770 6.4770 9.1821 9.1821 9.1821 9.1821 10.2000 10.2000 10.2000 10.2000 11.4216 11.4216 11.4216 11.4216 k = 0.5000 0.5000 0.3902 ( 5724 PWs) bands (ev): -19.7664 -19.7664 -19.7664 -19.7664 -8.5004 -8.5004 -8.5004 -8.5004 -6.5025 -6.5025 -6.5025 -6.5025 -5.6663 -5.6663 -5.6663 -5.6663 -4.4726 -4.4726 -4.4726 -4.4726 -4.2740 -4.2740 -4.2740 -4.2740 -2.6011 -2.6011 -2.6011 -2.6011 1.4707 1.4707 1.4707 1.4707 2.7985 2.7985 2.7985 2.7985 3.3034 3.3034 3.3034 3.3034 4.9556 4.9556 4.9556 4.9556 5.3450 5.3450 5.3450 5.3450 5.4251 5.4251 5.4251 5.4251 6.4957 6.4957 6.4957 6.4957 9.2075 9.2075 9.2075 9.2075 10.2466 10.2466 10.2466 10.2466 11.4406 11.4406 11.4406 11.4406 k = 0.5000 0.5000 0.4118 ( 5716 PWs) bands (ev): -19.7649 -19.7649 -19.7649 -19.7649 -8.4898 -8.4898 -8.4898 -8.4898 -6.5165 -6.5165 -6.5165 -6.5165 -5.6645 -5.6645 -5.6645 -5.6645 -4.4713 -4.4713 -4.4713 -4.4713 -4.2721 -4.2721 -4.2721 -4.2721 -2.6237 -2.6237 -2.6237 -2.6237 1.4646 1.4646 1.4646 1.4646 2.7677 2.7677 2.7677 2.7677 3.3068 3.3068 3.3068 3.3068 4.9221 4.9221 4.9221 4.9221 5.3124 5.3124 5.3124 5.3124 5.4559 5.4559 5.4559 5.4559 6.5138 6.5138 6.5138 6.5138 9.2330 9.2330 9.2330 9.2330 10.2876 10.2876 10.2876 10.2876 11.4598 11.4598 11.4598 11.4598 k = 0.5000 0.5000 0.4335 ( 5716 PWs) bands (ev): -19.7634 -19.7634 -19.7634 -19.7634 -8.4790 -8.4790 -8.4790 -8.4790 -6.5305 -6.5305 -6.5305 -6.5305 -5.6628 -5.6628 -5.6628 -5.6628 -4.4700 -4.4700 -4.4700 -4.4700 -4.2699 -4.2699 -4.2699 -4.2699 -2.6460 -2.6460 -2.6460 -2.6460 1.4575 1.4575 1.4575 1.4575 2.7378 2.7378 2.7378 2.7378 3.3112 3.3112 3.3112 3.3112 4.8890 4.8890 4.8890 4.8890 5.2795 5.2795 5.2795 5.2795 5.4865 5.4865 5.4865 5.4865 6.5312 6.5312 6.5312 6.5312 9.2584 9.2584 9.2584 9.2584 10.3227 10.3227 10.3227 10.3227 11.4797 11.4797 11.4797 11.4797 k = 0.5000 0.5000 0.4552 ( 5740 PWs) bands (ev): -19.7620 -19.7620 -19.7620 -19.7620 -8.4683 -8.4683 -8.4683 -8.4683 -6.5445 -6.5445 -6.5445 -6.5445 -5.6613 -5.6613 -5.6613 -5.6613 -4.4688 -4.4688 -4.4688 -4.4688 -4.2675 -4.2675 -4.2675 -4.2675 -2.6679 -2.6679 -2.6679 -2.6679 1.4497 1.4497 1.4497 1.4497 2.7090 2.7090 2.7090 2.7090 3.3167 3.3167 3.3167 3.3167 4.8564 4.8564 4.8564 4.8564 5.2472 5.2472 5.2472 5.2472 5.5159 5.5159 5.5159 5.5159 6.5477 6.5477 6.5477 6.5477 9.2833 9.2833 9.2833 9.2833 10.3516 10.3516 10.3516 10.3516 11.5010 11.5010 11.5010 11.5010 k = 0.5000 0.5000 0.4769 ( 5740 PWs) bands (ev): -19.7605 -19.7605 -19.7605 -19.7605 -8.4576 -8.4576 -8.4576 -8.4576 -6.5583 -6.5583 -6.5583 -6.5583 -5.6599 -5.6599 -5.6599 -5.6599 -4.4677 -4.4677 -4.4677 -4.4677 -4.2650 -4.2650 -4.2650 -4.2650 -2.6893 -2.6893 -2.6893 -2.6893 1.4411 1.4411 1.4411 1.4411 2.6812 2.6812 2.6812 2.6812 3.3233 3.3233 3.3233 3.3233 4.8246 4.8246 4.8246 4.8246 5.2158 5.2158 5.2158 5.2158 5.5440 5.5440 5.5440 5.5440 6.5634 6.5634 6.5634 6.5634 9.3075 9.3075 9.3075 9.3075 10.3743 10.3743 10.3743 10.3743 11.5240 11.5240 11.5240 11.5240 k = 0.5000 0.5000 0.4985 ( 5740 PWs) bands (ev): -19.7591 -19.7591 -19.7591 -19.7591 -8.4470 -8.4470 -8.4470 -8.4470 -6.5718 -6.5718 -6.5718 -6.5718 -5.6586 -5.6586 -5.6586 -5.6586 -4.4668 -4.4668 -4.4668 -4.4668 -4.2623 -4.2623 -4.2623 -4.2623 -2.7100 -2.7100 -2.7100 -2.7100 1.4319 1.4319 1.4319 1.4319 2.6547 2.6547 2.6547 2.6547 3.3309 3.3309 3.3309 3.3309 4.7939 4.7939 4.7939 4.7939 5.1854 5.1854 5.1854 5.1854 5.5704 5.5704 5.5704 5.5704 6.5780 6.5780 6.5780 6.5780 9.3307 9.3307 9.3307 9.3307 10.3910 10.3910 10.3910 10.3910 11.5486 11.5486 11.5486 11.5486 k = 0.5000 0.5000 0.5202 ( 5732 PWs) bands (ev): -19.7577 -19.7577 -19.7577 -19.7577 -8.4366 -8.4366 -8.4366 -8.4366 -6.5849 -6.5849 -6.5849 -6.5849 -5.6575 -5.6575 -5.6575 -5.6575 -4.4659 -4.4659 -4.4659 -4.4659 -4.2596 -4.2596 -4.2596 -4.2596 -2.7300 -2.7300 -2.7300 -2.7300 1.4223 1.4223 1.4223 1.4223 2.6295 2.6295 2.6295 2.6295 3.3393 3.3393 3.3393 3.3393 4.7642 4.7642 4.7642 4.7642 5.1562 5.1562 5.1562 5.1562 5.5953 5.5953 5.5953 5.5953 6.5916 6.5916 6.5916 6.5916 9.3527 9.3527 9.3527 9.3527 10.4021 10.4021 10.4021 10.4021 11.5747 11.5747 11.5747 11.5747 k = 0.5000 0.5000 0.5419 ( 5740 PWs) bands (ev): -19.7564 -19.7564 -19.7564 -19.7564 -8.4265 -8.4265 -8.4265 -8.4265 -6.5976 -6.5976 -6.5976 -6.5976 -5.6565 -5.6565 -5.6565 -5.6565 -4.4652 -4.4652 -4.4652 -4.4652 -4.2568 -4.2568 -4.2568 -4.2568 -2.7490 -2.7490 -2.7490 -2.7490 1.4123 1.4123 1.4123 1.4123 2.6057 2.6057 2.6057 2.6057 3.3485 3.3485 3.3485 3.3485 4.7359 4.7359 4.7359 4.7359 5.1282 5.1282 5.1282 5.1282 5.6185 5.6185 5.6185 5.6185 6.6042 6.6042 6.6042 6.6042 9.3732 9.3732 9.3732 9.3732 10.4084 10.4084 10.4084 10.4084 11.6018 11.6018 11.6018 11.6018 k = 0.5000 0.5000 0.5636 ( 5708 PWs) bands (ev): -19.7551 -19.7551 -19.7551 -19.7551 -8.4167 -8.4167 -8.4167 -8.4167 -6.6097 -6.6097 -6.6097 -6.6097 -5.6556 -5.6556 -5.6556 -5.6556 -4.4646 -4.4646 -4.4646 -4.4646 -4.2539 -4.2539 -4.2539 -4.2539 -2.7670 -2.7670 -2.7670 -2.7670 1.4022 1.4022 1.4022 1.4022 2.5834 2.5834 2.5834 2.5834 3.3583 3.3583 3.3583 3.3583 4.7090 4.7090 4.7090 4.7090 5.1015 5.1015 5.1015 5.1015 5.6401 5.6401 5.6401 5.6401 6.6157 6.6157 6.6157 6.6157 9.3921 9.3921 9.3921 9.3921 10.4104 10.4104 10.4104 10.4104 11.6295 11.6295 11.6295 11.6295 k = 0.5000 0.5000 0.5852 ( 5744 PWs) bands (ev): -19.7539 -19.7539 -19.7539 -19.7539 -8.4074 -8.4074 -8.4074 -8.4074 -6.6212 -6.6212 -6.6212 -6.6212 -5.6549 -5.6549 -5.6549 -5.6549 -4.4642 -4.4642 -4.4642 -4.4642 -4.2511 -4.2511 -4.2511 -4.2511 -2.7839 -2.7839 -2.7839 -2.7839 1.3921 1.3921 1.3921 1.3921 2.5626 2.5626 2.5626 2.5626 3.3686 3.3686 3.3686 3.3686 4.6837 4.6837 4.6837 4.6837 5.0762 5.0762 5.0762 5.0762 5.6599 5.6599 5.6599 5.6599 6.6261 6.6261 6.6261 6.6261 9.4094 9.4094 9.4094 9.4094 10.4091 10.4091 10.4091 10.4091 11.6569 11.6569 11.6569 11.6569 k = 0.5000 0.5000 0.6069 ( 5756 PWs) bands (ev): -19.7528 -19.7528 -19.7528 -19.7528 -8.3986 -8.3986 -8.3986 -8.3986 -6.6320 -6.6320 -6.6320 -6.6320 -5.6543 -5.6543 -5.6543 -5.6543 -4.4638 -4.4638 -4.4638 -4.4638 -4.2484 -4.2484 -4.2484 -4.2484 -2.7996 -2.7996 -2.7996 -2.7996 1.3821 1.3821 1.3821 1.3821 2.5434 2.5434 2.5434 2.5434 3.3790 3.3790 3.3790 3.3790 4.6602 4.6602 4.6602 4.6602 5.0525 5.0525 5.0525 5.0525 5.6781 5.6781 5.6781 5.6781 6.6355 6.6355 6.6355 6.6355 9.4248 9.4248 9.4248 9.4248 10.4052 10.4052 10.4052 10.4052 11.6836 11.6836 11.6836 11.6836 k = 0.5000 0.5000 0.6286 ( 5748 PWs) bands (ev): -19.7517 -19.7517 -19.7517 -19.7517 -8.3904 -8.3904 -8.3904 -8.3904 -6.6420 -6.6420 -6.6420 -6.6420 -5.6539 -5.6539 -5.6539 -5.6539 -4.4635 -4.4635 -4.4635 -4.4635 -4.2458 -4.2458 -4.2458 -4.2458 -2.8140 -2.8140 -2.8140 -2.8140 1.3725 1.3725 1.3725 1.3725 2.5258 2.5258 2.5258 2.5258 3.3895 3.3895 3.3895 3.3895 4.6386 4.6386 4.6386 4.6386 5.0303 5.0303 5.0303 5.0303 5.6945 5.6945 5.6945 5.6945 6.6439 6.6439 6.6439 6.6439 9.4385 9.4385 9.4385 9.4385 10.3994 10.3994 10.3994 10.3994 11.7091 11.7091 11.7091 11.7091 k = 0.5000 0.5000 0.6503 ( 5728 PWs) bands (ev): -19.7508 -19.7508 -19.7508 -19.7508 -8.3828 -8.3828 -8.3828 -8.3828 -6.6512 -6.6512 -6.6512 -6.6512 -5.6535 -5.6535 -5.6535 -5.6535 -4.4633 -4.4633 -4.4633 -4.4633 -4.2433 -4.2433 -4.2433 -4.2433 -2.8271 -2.8271 -2.8271 -2.8271 1.3634 1.3634 1.3634 1.3634 2.5100 2.5100 2.5100 2.5100 3.3997 3.3997 3.3997 3.3997 4.6190 4.6190 4.6190 4.6190 5.0100 5.0100 5.0100 5.0100 5.7092 5.7092 5.7092 5.7092 6.6513 6.6513 6.6513 6.6513 9.4504 9.4504 9.4504 9.4504 10.3924 10.3924 10.3924 10.3924 11.7327 11.7327 11.7327 11.7327 k = 0.5000 0.5000 0.6719 ( 5728 PWs) bands (ev): -19.7499 -19.7499 -19.7499 -19.7499 -8.3759 -8.3759 -8.3759 -8.3759 -6.6594 -6.6594 -6.6594 -6.6594 -5.6532 -5.6532 -5.6532 -5.6532 -4.4631 -4.4631 -4.4631 -4.4631 -4.2410 -4.2410 -4.2410 -4.2410 -2.8387 -2.8387 -2.8387 -2.8387 1.3550 1.3550 1.3550 1.3550 2.4959 2.4959 2.4959 2.4959 3.4094 3.4094 3.4094 3.4094 4.6014 4.6014 4.6014 4.6014 4.9916 4.9916 4.9916 4.9916 5.7221 5.7221 5.7221 5.7221 6.6578 6.6578 6.6578 6.6578 9.4606 9.4606 9.4606 9.4606 10.3848 10.3848 10.3848 10.3848 11.7542 11.7542 11.7542 11.7542 k = 0.5000 0.5000 0.6936 ( 5736 PWs) bands (ev): -19.7491 -19.7491 -19.7491 -19.7491 -8.3699 -8.3699 -8.3699 -8.3699 -6.6667 -6.6667 -6.6667 -6.6667 -5.6530 -5.6530 -5.6530 -5.6530 -4.4630 -4.4630 -4.4630 -4.4630 -4.2389 -4.2389 -4.2389 -4.2389 -2.8489 -2.8489 -2.8489 -2.8489 1.3473 1.3473 1.3473 1.3473 2.4836 2.4836 2.4836 2.4836 3.4184 3.4184 3.4184 3.4184 4.5860 4.5860 4.5860 4.5860 4.9752 4.9752 4.9752 4.9752 5.7334 5.7334 5.7334 5.7334 6.6633 6.6633 6.6633 6.6633 9.4692 9.4692 9.4692 9.4692 10.3773 10.3773 10.3773 10.3773 11.7734 11.7734 11.7734 11.7734 k = 0.5000 0.5000 0.7153 ( 5744 PWs) bands (ev): -19.7485 -19.7485 -19.7485 -19.7485 -8.3646 -8.3646 -8.3646 -8.3646 -6.6730 -6.6730 -6.6730 -6.6730 -5.6528 -5.6528 -5.6528 -5.6528 -4.4629 -4.4629 -4.4629 -4.4629 -4.2371 -4.2371 -4.2371 -4.2371 -2.8576 -2.8576 -2.8576 -2.8576 1.3406 1.3406 1.3406 1.3406 2.4731 2.4731 2.4731 2.4731 3.4265 3.4265 3.4265 3.4265 4.5728 4.5728 4.5728 4.5728 4.9611 4.9611 4.9611 4.9611 5.7429 5.7429 5.7429 5.7429 6.6679 6.6679 6.6679 6.6679 9.4762 9.4762 9.4762 9.4762 10.3701 10.3701 10.3701 10.3701 11.7898 11.7898 11.7898 11.7898 k = 0.5000 0.5000 0.7370 ( 5752 PWs) bands (ev): -19.7480 -19.7480 -19.7480 -19.7480 -8.3603 -8.3603 -8.3603 -8.3603 -6.6781 -6.6781 -6.6781 -6.6781 -5.6527 -5.6527 -5.6527 -5.6527 -4.4629 -4.4629 -4.4629 -4.4629 -4.2356 -4.2356 -4.2356 -4.2356 -2.8647 -2.8647 -2.8647 -2.8647 1.3350 1.3350 1.3350 1.3350 2.4645 2.4645 2.4645 2.4645 3.4335 3.4335 3.4335 3.4335 4.5620 4.5620 4.5620 4.5620 4.9493 4.9493 4.9493 4.9493 5.7507 5.7507 5.7507 5.7507 6.6716 6.6716 6.6716 6.6716 9.4818 9.4818 9.4818 9.4818 10.3638 10.3638 10.3638 10.3638 11.8035 11.8035 11.8035 11.8035 k = 0.5000 0.5000 0.7587 ( 5728 PWs) bands (ev): -19.7475 -19.7475 -19.7475 -19.7475 -8.3569 -8.3569 -8.3569 -8.3569 -6.6822 -6.6822 -6.6822 -6.6822 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2343 -4.2343 -4.2343 -4.2343 -2.8703 -2.8703 -2.8703 -2.8703 1.3305 1.3305 1.3305 1.3305 2.4578 2.4578 2.4578 2.4578 3.4391 3.4391 3.4391 3.4391 4.5535 4.5535 4.5535 4.5535 4.9399 4.9399 4.9399 4.9399 5.7568 5.7568 5.7568 5.7568 6.6745 6.6745 6.6745 6.6745 9.4860 9.4860 9.4860 9.4860 10.3586 10.3586 10.3586 10.3586 11.8143 11.8143 11.8143 11.8143 k = 0.5000 0.5000 0.7803 ( 5728 PWs) bands (ev): -19.7472 -19.7472 -19.7472 -19.7472 -8.3544 -8.3544 -8.3544 -8.3544 -6.6851 -6.6851 -6.6851 -6.6851 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2335 -4.2335 -4.2335 -4.2335 -2.8743 -2.8743 -2.8743 -2.8743 1.3272 1.3272 1.3272 1.3272 2.4530 2.4530 2.4530 2.4530 3.4433 3.4433 3.4433 3.4433 4.5474 4.5474 4.5474 4.5474 4.9332 4.9332 4.9332 4.9332 5.7611 5.7611 5.7611 5.7611 6.6765 6.6765 6.6765 6.6765 9.4890 9.4890 9.4890 9.4890 10.3547 10.3547 10.3547 10.3547 11.8220 11.8220 11.8220 11.8220 k = 0.5000 0.5000 0.8020 ( 5720 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3529 -8.3529 -8.3529 -8.3529 -6.6869 -6.6869 -6.6869 -6.6869 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2329 -4.2329 -4.2329 -4.2329 -2.8767 -2.8767 -2.8767 -2.8767 1.3253 1.3253 1.3253 1.3253 2.4501 2.4501 2.4501 2.4501 3.4458 3.4458 3.4458 3.4458 4.5437 4.5437 4.5437 4.5437 4.9291 4.9291 4.9291 4.9291 5.7637 5.7637 5.7637 5.7637 6.6777 6.6777 6.6777 6.6777 9.4907 9.4907 9.4907 9.4907 10.3523 10.3523 10.3523 10.3523 11.8267 11.8267 11.8267 11.8267 k = 0.5000 0.5000 0.8237 ( 5728 PWs) bands (ev): -19.7470 -19.7470 -19.7470 -19.7470 -8.3524 -8.3524 -8.3524 -8.3524 -6.6874 -6.6874 -6.6874 -6.6874 -5.6526 -5.6526 -5.6526 -5.6526 -4.4629 -4.4629 -4.4629 -4.4629 -4.2328 -4.2328 -4.2328 -4.2328 -2.8775 -2.8775 -2.8775 -2.8775 1.3246 1.3246 1.3246 1.3246 2.4491 2.4491 2.4491 2.4491 3.4466 3.4466 3.4466 3.4466 4.5425 4.5425 4.5425 4.5425 4.9277 4.9277 4.9277 4.9277 5.7646 5.7646 5.7646 5.7646 6.6781 6.6781 6.6781 6.6781 9.4913 9.4913 9.4913 9.4913 10.3515 10.3515 10.3515 10.3515 11.8282 11.8282 11.8282 11.8282 Writing output data file BaS3.save init_run : 0.85s CPU 1.30s WALL ( 1 calls) electrons : 572.67s CPU 580.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.24s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 572.66s CPU 580.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.26s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 281 calls) cegterg : 549.36s CPU 556.18s WALL ( 735 calls) Called by sum_band: Called by *egterg: h_psi : 264.67s CPU 273.08s WALL ( 13385 calls) s_psi : 45.38s CPU 45.47s WALL ( 13385 calls) g_psi : 0.70s CPU 0.77s WALL ( 12369 calls) cdiaghg : 178.82s CPU 174.09s WALL ( 12650 calls) cegterg:over : 30.11s CPU 27.97s WALL ( 12369 calls) cegterg:upda : 14.26s CPU 18.31s WALL ( 12369 calls) cegterg:last : 11.23s CPU 12.03s WALL ( 1859 calls) Called by h_psi: h_psi:vloc : 207.08s CPU 213.14s WALL ( 13385 calls) h_psi:vnl : 57.41s CPU 59.46s WALL ( 13385 calls) add_vuspsi : 30.52s CPU 33.13s WALL ( 13385 calls) General routines calbec : 26.87s CPU 26.28s WALL ( 13385 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 200.98s CPU 203.69s WALL ( 1421804 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 1.57s WALL ( 562 calls) Parallel routines fft_scatter : 156.45s CPU 139.16s WALL ( 1421827 calls) PWSCF : 10m 4.44s CPU 10m36.07s WALL This run was terminated on: 16:17:36 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=