Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:10:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KCuC2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 35 10 3418 1435 224 Max 63 36 12 3425 1451 228 Sum 2241 1273 373 123113 51989 8157 bravais-lattice index = 14 lattice parameter (alat) = 9.3122 a.u. unit-cell volume = 1233.7044 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.312192 celldm(2)= 1.000000 celldm(3)= 1.527761 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 1.527761 ) 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 0.654553 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Cu 11.00 63.54600 Cu( 1.00) C 4.00 12.01070 C( 1.00) 8 Sym. Ops., with inversion, found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0034247 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0034247 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0034247 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0034247 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0034247 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0034247 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0034247 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0034247 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0034247 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0034247 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0034247 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0034247 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0034247 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0034247 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0034247 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0034247 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0034247 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0034247 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0034247 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0034247 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0034247 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0034247 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0034247 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0034247 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0034247 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0034247 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0034247 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0034247 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0034247 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0034247 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0034247 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0034247 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0034247 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0034247 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0034247 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0034247 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0034247 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0034247 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0034247 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0034247 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0034247 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0034247 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0034247 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034247 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0034247 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0034247 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0034247 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0034247 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0034247 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0034247 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0034247 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0034247 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0034247 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0034247 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0034247 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0034247 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0034247 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0034247 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0034247 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 68) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0034247 k( 69) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0034247 k( 70) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0034247 k( 71) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0034247 k( 72) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0034247 k( 73) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0034247 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0034247 k( 75) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0034247 k( 76) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0034247 k( 77) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0034247 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0034247 k( 79) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0034247 k( 80) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0034247 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0034247 k( 82) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0034247 k( 83) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0034247 k( 84) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0034247 k( 85) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0034247 k( 86) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0034247 k( 87) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0034247 k( 88) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0034247 k( 89) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0034247 k( 90) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034247 k( 91) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034247 k( 92) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0034247 k( 93) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0034247 k( 94) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0034247 k( 95) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0034247 k( 96) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0034247 k( 97) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0034247 k( 98) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0034247 k( 99) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034247 k( 100) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0034247 k( 101) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0034247 k( 102) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0034247 k( 103) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0034247 k( 104) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0034247 k( 105) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0034247 k( 106) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0034247 k( 107) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0034247 k( 108) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0034247 k( 109) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0034247 k( 110) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0034247 k( 111) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0034247 k( 112) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0034247 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 115) = ( 0.0000000 0.0000000 0.0155846), wk = 0.0034247 k( 116) = ( 0.0000000 0.0000000 0.0311692), wk = 0.0034247 k( 117) = ( 0.0000000 0.0000000 0.0467538), wk = 0.0034247 k( 118) = ( 0.0000000 0.0000000 0.0623384), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.0779229), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.0935075), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.1090921), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.1246767), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.1402613), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.1558459), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.1714305), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.1870151), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.2025996), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.2181842), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.2337688), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.2493534), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.2649380), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.2805226), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.2961072), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.3116918), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.3272763), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.3272763), wk = 0.0034247 k( 137) = ( 0.0000000 0.0156250 0.3272763), wk = 0.0034247 k( 138) = ( 0.0000000 0.0312500 0.3272763), wk = 0.0034247 k( 139) = ( 0.0000000 0.0468750 0.3272763), wk = 0.0034247 k( 140) = ( 0.0000000 0.0625000 0.3272763), wk = 0.0034247 k( 141) = ( 0.0000000 0.0781250 0.3272763), wk = 0.0034247 k( 142) = ( 0.0000000 0.0937500 0.3272763), wk = 0.0034247 k( 143) = ( 0.0000000 0.1093750 0.3272763), wk = 0.0034247 k( 144) = ( 0.0000000 0.1250000 0.3272763), wk = 0.0034247 k( 145) = ( 0.0000000 0.1406250 0.3272763), wk = 0.0034247 k( 146) = ( 0.0000000 0.1562500 0.3272763), wk = 0.0034247 k( 147) = ( 0.0000000 0.1718750 0.3272763), wk = 0.0034247 k( 148) = ( 0.0000000 0.1875000 0.3272763), wk = 0.0034247 k( 149) = ( 0.0000000 0.2031250 0.3272763), wk = 0.0034247 k( 150) = ( 0.0000000 0.2187500 0.3272763), wk = 0.0034247 k( 151) = ( 0.0000000 0.2343750 0.3272763), wk = 0.0034247 k( 152) = ( 0.0000000 0.2500000 0.3272763), wk = 0.0034247 k( 153) = ( 0.0000000 0.2656250 0.3272763), wk = 0.0034247 k( 154) = ( 0.0000000 0.2812500 0.3272763), wk = 0.0034247 k( 155) = ( 0.0000000 0.2968750 0.3272763), wk = 0.0034247 k( 156) = ( 0.0000000 0.3125000 0.3272763), wk = 0.0034247 k( 157) = ( 0.0000000 0.3281250 0.3272763), wk = 0.0034247 k( 158) = ( 0.0000000 0.3437500 0.3272763), wk = 0.0034247 k( 159) = ( 0.0000000 0.3593750 0.3272763), wk = 0.0034247 k( 160) = ( 0.0000000 0.3750000 0.3272763), wk = 0.0034247 k( 161) = ( 0.0000000 0.3906250 0.3272763), wk = 0.0034247 k( 162) = ( 0.0000000 0.4062500 0.3272763), wk = 0.0034247 k( 163) = ( 0.0000000 0.4218750 0.3272763), wk = 0.0034247 k( 164) = ( 0.0000000 0.4375000 0.3272763), wk = 0.0034247 k( 165) = ( 0.0000000 0.4531250 0.3272763), wk = 0.0034247 k( 166) = ( 0.0000000 0.4687500 0.3272763), wk = 0.0034247 k( 167) = ( 0.0000000 0.4843750 0.3272763), wk = 0.0034247 k( 168) = ( 0.0000000 0.5000000 0.3272763), wk = 0.0034247 k( 169) = ( 0.0000000 0.5000000 0.3272763), wk = 0.0034247 k( 170) = ( 0.0156250 0.5000000 0.3272763), wk = 0.0034247 k( 171) = ( 0.0312500 0.5000000 0.3272763), wk = 0.0034247 k( 172) = ( 0.0468750 0.5000000 0.3272763), wk = 0.0034247 k( 173) = ( 0.0625000 0.5000000 0.3272763), wk = 0.0034247 k( 174) = ( 0.0781250 0.5000000 0.3272763), wk = 0.0034247 k( 175) = ( 0.0937500 0.5000000 0.3272763), wk = 0.0034247 k( 176) = ( 0.1093750 0.5000000 0.3272763), wk = 0.0034247 k( 177) = ( 0.1250000 0.5000000 0.3272763), wk = 0.0034247 k( 178) = ( 0.1406250 0.5000000 0.3272763), wk = 0.0034247 k( 179) = ( 0.1562500 0.5000000 0.3272763), wk = 0.0034247 k( 180) = ( 0.1718750 0.5000000 0.3272763), wk = 0.0034247 k( 181) = ( 0.1875000 0.5000000 0.3272763), wk = 0.0034247 k( 182) = ( 0.2031250 0.5000000 0.3272763), wk = 0.0034247 k( 183) = ( 0.2187500 0.5000000 0.3272763), wk = 0.0034247 k( 184) = ( 0.2343750 0.5000000 0.3272763), wk = 0.0034247 k( 185) = ( 0.2500000 0.5000000 0.3272763), wk = 0.0034247 k( 186) = ( 0.2656250 0.5000000 0.3272763), wk = 0.0034247 k( 187) = ( 0.2812500 0.5000000 0.3272763), wk = 0.0034247 k( 188) = ( 0.2968750 0.5000000 0.3272763), wk = 0.0034247 k( 189) = ( 0.3125000 0.5000000 0.3272763), wk = 0.0034247 k( 190) = ( 0.3281250 0.5000000 0.3272763), wk = 0.0034247 k( 191) = ( 0.3437500 0.5000000 0.3272763), wk = 0.0034247 k( 192) = ( 0.3593750 0.5000000 0.3272763), wk = 0.0034247 k( 193) = ( 0.3750000 0.5000000 0.3272763), wk = 0.0034247 k( 194) = ( 0.3906250 0.5000000 0.3272763), wk = 0.0034247 k( 195) = ( 0.4062500 0.5000000 0.3272763), wk = 0.0034247 k( 196) = ( 0.4218750 0.5000000 0.3272763), wk = 0.0034247 k( 197) = ( 0.4375000 0.5000000 0.3272763), wk = 0.0034247 k( 198) = ( 0.4531250 0.5000000 0.3272763), wk = 0.0034247 k( 199) = ( 0.4687500 0.5000000 0.3272763), wk = 0.0034247 k( 200) = ( 0.4843750 0.5000000 0.3272763), wk = 0.0034247 k( 201) = ( 0.5000000 0.5000000 0.3272763), wk = 0.0034247 k( 202) = ( 0.5000000 0.5000000 0.3272763), wk = 0.0034247 k( 203) = ( 0.4891304 0.4891304 0.3272763), wk = 0.0034247 k( 204) = ( 0.4782609 0.4782609 0.3272763), wk = 0.0034247 k( 205) = ( 0.4673913 0.4673913 0.3272763), wk = 0.0034247 k( 206) = ( 0.4565217 0.4565217 0.3272763), wk = 0.0034247 k( 207) = ( 0.4456522 0.4456522 0.3272763), wk = 0.0034247 k( 208) = ( 0.4347826 0.4347826 0.3272763), wk = 0.0034247 k( 209) = ( 0.4239130 0.4239130 0.3272763), wk = 0.0034247 k( 210) = ( 0.4130435 0.4130435 0.3272763), wk = 0.0034247 k( 211) = ( 0.4021739 0.4021739 0.3272763), wk = 0.0034247 k( 212) = ( 0.3913044 0.3913043 0.3272763), wk = 0.0034247 k( 213) = ( 0.3804348 0.3804348 0.3272763), wk = 0.0034247 k( 214) = ( 0.3695652 0.3695652 0.3272763), wk = 0.0034247 k( 215) = ( 0.3586956 0.3586956 0.3272763), wk = 0.0034247 k( 216) = ( 0.3478261 0.3478261 0.3272763), wk = 0.0034247 k( 217) = ( 0.3369565 0.3369565 0.3272763), wk = 0.0034247 k( 218) = ( 0.3260870 0.3260870 0.3272763), wk = 0.0034247 k( 219) = ( 0.3152174 0.3152174 0.3272763), wk = 0.0034247 k( 220) = ( 0.3043478 0.3043478 0.3272763), wk = 0.0034247 k( 221) = ( 0.2934783 0.2934783 0.3272763), wk = 0.0034247 k( 222) = ( 0.2826087 0.2826087 0.3272763), wk = 0.0034247 k( 223) = ( 0.2717391 0.2717391 0.3272763), wk = 0.0034247 k( 224) = ( 0.2608696 0.2608696 0.3272763), wk = 0.0034247 k( 225) = ( 0.2500000 0.2500000 0.3272763), wk = 0.0034247 k( 226) = ( 0.2391304 0.2391304 0.3272763), wk = 0.0034247 k( 227) = ( 0.2282609 0.2282609 0.3272763), wk = 0.0034247 k( 228) = ( 0.2173913 0.2173913 0.3272763), wk = 0.0034247 k( 229) = ( 0.2065217 0.2065217 0.3272763), wk = 0.0034247 k( 230) = ( 0.1956522 0.1956522 0.3272763), wk = 0.0034247 k( 231) = ( 0.1847826 0.1847826 0.3272763), wk = 0.0034247 k( 232) = ( 0.1739130 0.1739130 0.3272763), wk = 0.0034247 k( 233) = ( 0.1630435 0.1630435 0.3272763), wk = 0.0034247 k( 234) = ( 0.1521739 0.1521739 0.3272763), wk = 0.0034247 k( 235) = ( 0.1413043 0.1413043 0.3272763), wk = 0.0034247 k( 236) = ( 0.1304348 0.1304348 0.3272763), wk = 0.0034247 k( 237) = ( 0.1195652 0.1195652 0.3272763), wk = 0.0034247 k( 238) = ( 0.1086957 0.1086956 0.3272763), wk = 0.0034247 k( 239) = ( 0.0978261 0.0978261 0.3272763), wk = 0.0034247 k( 240) = ( 0.0869565 0.0869565 0.3272763), wk = 0.0034247 k( 241) = ( 0.0760870 0.0760870 0.3272763), wk = 0.0034247 k( 242) = ( 0.0652174 0.0652174 0.3272763), wk = 0.0034247 k( 243) = ( 0.0543478 0.0543478 0.3272763), wk = 0.0034247 k( 244) = ( 0.0434783 0.0434783 0.3272763), wk = 0.0034247 k( 245) = ( 0.0326087 0.0326087 0.3272763), wk = 0.0034247 k( 246) = ( 0.0217391 0.0217391 0.3272763), wk = 0.0034247 k( 247) = ( 0.0108696 0.0108696 0.3272763), wk = 0.0034247 k( 248) = ( 0.0000000 0.0000000 0.3272763), wk = 0.0034247 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 250) = ( 0.0000000 0.5000000 0.0155846), wk = 0.0034247 k( 251) = ( 0.0000000 0.5000000 0.0311692), wk = 0.0034247 k( 252) = ( 0.0000000 0.5000000 0.0467538), wk = 0.0034247 k( 253) = ( 0.0000000 0.5000000 0.0623384), wk = 0.0034247 k( 254) = ( 0.0000000 0.5000000 0.0779229), wk = 0.0034247 k( 255) = ( 0.0000000 0.5000000 0.0935075), wk = 0.0034247 k( 256) = ( 0.0000000 0.5000000 0.1090921), wk = 0.0034247 k( 257) = ( 0.0000000 0.5000000 0.1246767), wk = 0.0034247 k( 258) = ( 0.0000000 0.5000000 0.1402613), wk = 0.0034247 k( 259) = ( 0.0000000 0.5000000 0.1558459), wk = 0.0034247 k( 260) = ( 0.0000000 0.5000000 0.1714305), wk = 0.0034247 k( 261) = ( 0.0000000 0.5000000 0.1870151), wk = 0.0034247 k( 262) = ( 0.0000000 0.5000000 0.2025996), wk = 0.0034247 k( 263) = ( 0.0000000 0.5000000 0.2181842), wk = 0.0034247 k( 264) = ( 0.0000000 0.5000000 0.2337688), wk = 0.0034247 k( 265) = ( 0.0000000 0.5000000 0.2493534), wk = 0.0034247 k( 266) = ( 0.0000000 0.5000000 0.2649380), wk = 0.0034247 k( 267) = ( 0.0000000 0.5000000 0.2805226), wk = 0.0034247 k( 268) = ( 0.0000000 0.5000000 0.2961072), wk = 0.0034247 k( 269) = ( 0.0000000 0.5000000 0.3116918), wk = 0.0034247 k( 270) = ( 0.0000000 0.5000000 0.3272763), wk = 0.0034247 k( 271) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 272) = ( 0.5000000 0.5000000 0.0155846), wk = 0.0034247 k( 273) = ( 0.5000000 0.5000000 0.0311692), wk = 0.0034247 k( 274) = ( 0.5000000 0.5000000 0.0467538), wk = 0.0034247 k( 275) = ( 0.5000000 0.5000000 0.0623384), wk = 0.0034247 k( 276) = ( 0.5000000 0.5000000 0.0779229), wk = 0.0034247 k( 277) = ( 0.5000000 0.5000000 0.0935075), wk = 0.0034247 k( 278) = ( 0.5000000 0.5000000 0.1090921), wk = 0.0034247 k( 279) = ( 0.5000000 0.5000000 0.1246767), wk = 0.0034247 k( 280) = ( 0.5000000 0.5000000 0.1402613), wk = 0.0034247 k( 281) = ( 0.5000000 0.5000000 0.1558459), wk = 0.0034247 k( 282) = ( 0.5000000 0.5000000 0.1714305), wk = 0.0034247 k( 283) = ( 0.5000000 0.5000000 0.1870151), wk = 0.0034247 k( 284) = ( 0.5000000 0.5000000 0.2025996), wk = 0.0034247 k( 285) = ( 0.5000000 0.5000000 0.2181842), wk = 0.0034247 k( 286) = ( 0.5000000 0.5000000 0.2337688), wk = 0.0034247 k( 287) = ( 0.5000000 0.5000000 0.2493534), wk = 0.0034247 k( 288) = ( 0.5000000 0.5000000 0.2649380), wk = 0.0034247 k( 289) = ( 0.5000000 0.5000000 0.2805226), wk = 0.0034247 k( 290) = ( 0.5000000 0.5000000 0.2961072), wk = 0.0034247 k( 291) = ( 0.5000000 0.5000000 0.3116918), wk = 0.0034247 k( 292) = ( 0.5000000 0.5000000 0.3272763), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0034247 k( 4) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0034247 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0034247 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0034247 k( 7) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0034247 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0034247 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0034247 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0034247 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0034247 k( 13) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0034247 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0034247 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0034247 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0034247 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0034247 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0034247 k( 20) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0034247 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0034247 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0034247 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0034247 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0034247 k( 25) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0034247 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0034247 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0034247 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0034247 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0034247 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0034247 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0034247 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0034247 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0034247 k( 36) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0034247 k( 37) = ( 0.0468750 0.5000000 0.0000000), wk = 0.0034247 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0034247 k( 39) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0034247 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0034247 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0034247 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0034247 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0034247 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0034247 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0034247 k( 46) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0034247 k( 47) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0034247 k( 48) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0034247 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0034247 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034247 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0034247 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0034247 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0034247 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0034247 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0034247 k( 56) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0034247 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0034247 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0034247 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0034247 k( 60) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0034247 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0034247 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0034247 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0034247 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0034247 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0034247 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 68) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0034247 k( 69) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0034247 k( 70) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0034247 k( 71) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0034247 k( 72) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0034247 k( 73) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0034247 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0034247 k( 75) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0034247 k( 76) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0034247 k( 77) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0034247 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0034247 k( 79) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0034247 k( 80) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0034247 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0034247 k( 82) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0034247 k( 83) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0034247 k( 84) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0034247 k( 85) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0034247 k( 86) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0034247 k( 87) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0034247 k( 88) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0034247 k( 89) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0034247 k( 90) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034247 k( 91) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034247 k( 92) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0034247 k( 93) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0034247 k( 94) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0034247 k( 95) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0034247 k( 96) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0034247 k( 97) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0034247 k( 98) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0034247 k( 99) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034247 k( 100) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0034247 k( 101) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0034247 k( 102) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0034247 k( 103) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0034247 k( 104) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0034247 k( 105) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0034247 k( 106) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0034247 k( 107) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0034247 k( 108) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0034247 k( 109) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0034247 k( 110) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0034247 k( 111) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0034247 k( 112) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0034247 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 115) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034247 k( 116) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034247 k( 117) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034247 k( 118) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 137) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0034247 k( 138) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0034247 k( 139) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0034247 k( 140) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0034247 k( 141) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0034247 k( 142) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0034247 k( 143) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0034247 k( 144) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0034247 k( 145) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0034247 k( 146) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0034247 k( 147) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0034247 k( 148) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0034247 k( 149) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0034247 k( 150) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0034247 k( 151) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0034247 k( 152) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0034247 k( 153) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0034247 k( 154) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0034247 k( 155) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0034247 k( 156) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0034247 k( 157) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0034247 k( 158) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0034247 k( 159) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0034247 k( 160) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0034247 k( 161) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0034247 k( 162) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0034247 k( 163) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0034247 k( 164) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0034247 k( 165) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0034247 k( 166) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0034247 k( 167) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0034247 k( 168) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 169) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 170) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0034247 k( 171) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0034247 k( 172) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0034247 k( 173) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0034247 k( 174) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0034247 k( 175) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0034247 k( 176) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0034247 k( 177) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0034247 k( 178) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0034247 k( 179) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0034247 k( 180) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0034247 k( 181) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0034247 k( 182) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0034247 k( 183) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0034247 k( 184) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0034247 k( 185) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0034247 k( 186) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0034247 k( 187) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0034247 k( 188) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0034247 k( 189) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0034247 k( 190) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0034247 k( 191) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0034247 k( 192) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0034247 k( 193) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0034247 k( 194) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0034247 k( 195) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0034247 k( 196) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0034247 k( 197) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0034247 k( 198) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0034247 k( 199) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0034247 k( 200) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0034247 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 203) = ( 0.4891304 0.4891304 0.5000000), wk = 0.0034247 k( 204) = ( 0.4782609 0.4782609 0.5000000), wk = 0.0034247 k( 205) = ( 0.4673913 0.4673913 0.5000000), wk = 0.0034247 k( 206) = ( 0.4565217 0.4565217 0.5000000), wk = 0.0034247 k( 207) = ( 0.4456522 0.4456522 0.5000000), wk = 0.0034247 k( 208) = ( 0.4347826 0.4347826 0.5000000), wk = 0.0034247 k( 209) = ( 0.4239130 0.4239130 0.5000000), wk = 0.0034247 k( 210) = ( 0.4130435 0.4130435 0.5000000), wk = 0.0034247 k( 211) = ( 0.4021739 0.4021739 0.5000000), wk = 0.0034247 k( 212) = ( 0.3913044 0.3913044 0.5000000), wk = 0.0034247 k( 213) = ( 0.3804348 0.3804348 0.5000000), wk = 0.0034247 k( 214) = ( 0.3695652 0.3695652 0.5000000), wk = 0.0034247 k( 215) = ( 0.3586956 0.3586956 0.5000000), wk = 0.0034247 k( 216) = ( 0.3478261 0.3478261 0.5000000), wk = 0.0034247 k( 217) = ( 0.3369565 0.3369565 0.5000000), wk = 0.0034247 k( 218) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034247 k( 219) = ( 0.3152174 0.3152174 0.5000000), wk = 0.0034247 k( 220) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034247 k( 221) = ( 0.2934783 0.2934783 0.5000000), wk = 0.0034247 k( 222) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034247 k( 223) = ( 0.2717391 0.2717391 0.5000000), wk = 0.0034247 k( 224) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034247 k( 225) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034247 k( 226) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034247 k( 227) = ( 0.2282609 0.2282609 0.5000000), wk = 0.0034247 k( 228) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034247 k( 229) = ( 0.2065217 0.2065217 0.5000000), wk = 0.0034247 k( 230) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034247 k( 231) = ( 0.1847826 0.1847826 0.5000000), wk = 0.0034247 k( 232) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034247 k( 233) = ( 0.1630435 0.1630435 0.5000000), wk = 0.0034247 k( 234) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034247 k( 235) = ( 0.1413043 0.1413043 0.5000000), wk = 0.0034247 k( 236) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034247 k( 237) = ( 0.1195652 0.1195652 0.5000000), wk = 0.0034247 k( 238) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034247 k( 239) = ( 0.0978261 0.0978261 0.5000000), wk = 0.0034247 k( 240) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034247 k( 241) = ( 0.0760870 0.0760870 0.5000000), wk = 0.0034247 k( 242) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034247 k( 243) = ( 0.0543478 0.0543478 0.5000000), wk = 0.0034247 k( 244) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034247 k( 245) = ( 0.0326087 0.0326087 0.5000000), wk = 0.0034247 k( 246) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034247 k( 247) = ( 0.0108696 0.0108696 0.5000000), wk = 0.0034247 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034247 k( 250) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0034247 k( 251) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0034247 k( 252) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0034247 k( 253) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0034247 k( 254) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0034247 k( 255) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0034247 k( 256) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0034247 k( 257) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0034247 k( 258) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0034247 k( 259) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0034247 k( 260) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0034247 k( 261) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0034247 k( 262) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0034247 k( 263) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0034247 k( 264) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0034247 k( 265) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0034247 k( 266) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0034247 k( 267) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0034247 k( 268) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0034247 k( 269) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0034247 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 271) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 272) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0034247 k( 273) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0034247 k( 274) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0034247 k( 275) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0034247 k( 276) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0034247 k( 277) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0034247 k( 278) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0034247 k( 279) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0034247 k( 280) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0034247 k( 281) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0034247 k( 282) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0034247 k( 283) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0034247 k( 284) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0034247 k( 285) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0034247 k( 286) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0034247 k( 287) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0034247 k( 288) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0034247 k( 289) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0034247 k( 290) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0034247 k( 291) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0034247 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 Dense grid: 123113 G-vectors FFT dimensions: ( 54, 54, 81) Smooth grid: 51989 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 372, 68) NL pseudopotentials 0.54 Mb ( 186, 192) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3420) G-vector shells 0.01 Mb ( 1607) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.54 Mb ( 372, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.40 Mb ( 192, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./KCuC2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.6 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.5 secs Computing kpt #: 11 total cpu time spent up to now is 14.5 secs Computing kpt #: 12 total cpu time spent up to now is 15.5 secs Computing kpt #: 13 total cpu time spent up to now is 16.4 secs Computing kpt #: 14 total cpu time spent up to now is 17.4 secs Computing kpt #: 15 total cpu time spent up to now is 18.4 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 total cpu time spent up to now is 22.2 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.2 secs Computing kpt #: 22 total cpu time spent up to now is 25.2 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.1 secs Computing kpt #: 25 total cpu time spent up to now is 28.1 secs Computing kpt #: 26 total cpu time spent up to now is 29.1 secs Computing kpt #: 27 total cpu time spent up to now is 30.1 secs Computing kpt #: 28 total cpu time spent up to now is 31.1 secs Computing kpt #: 29 total cpu time spent up to now is 32.1 secs Computing kpt #: 30 total cpu time spent up to now is 33.1 secs Computing kpt #: 31 total cpu time spent up to now is 34.1 secs Computing kpt #: 32 total cpu 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up to now is 60.9 secs Computing kpt #: 64 total cpu time spent up to now is 61.6 secs Computing kpt #: 65 total cpu time spent up to now is 62.3 secs Computing kpt #: 66 total cpu time spent up to now is 63.0 secs Computing kpt #: 67 total cpu time spent up to now is 63.7 secs Computing kpt #: 68 total cpu time spent up to now is 64.5 secs Computing kpt #: 69 total cpu time spent up to now is 65.2 secs Computing kpt #: 70 total cpu time spent up to now is 66.0 secs Computing kpt #: 71 total cpu time spent up to now is 66.8 secs Computing kpt #: 72 total cpu time spent up to now is 67.5 secs Computing kpt #: 73 total cpu time spent up to now is 68.3 secs Computing kpt #: 74 total cpu time spent up to now is 69.0 secs Computing kpt #: 75 total cpu time spent up to now is 69.8 secs Computing kpt #: 76 total cpu time spent up to now is 70.6 secs Computing kpt #: 77 total cpu time spent up to now is 71.3 secs Computing kpt #: 78 total cpu time spent up to now is 72.1 secs Computing kpt #: 79 total cpu time spent up to now is 72.9 secs Computing kpt #: 80 total cpu time spent up to now is 73.7 secs Computing kpt #: 81 total cpu time spent up to now is 74.4 secs Computing kpt #: 82 total cpu time spent up to now is 75.4 secs Computing kpt #: 83 total cpu time spent up to now is 76.2 secs Computing kpt #: 84 total cpu time spent up to now is 77.0 secs Computing kpt #: 85 total cpu time spent up to now is 77.9 secs Computing kpt #: 86 total cpu time spent up to now is 78.9 secs Computing kpt #: 87 total cpu time spent up to now is 79.8 secs Computing kpt #: 88 total cpu time spent up to now is 80.8 secs Computing kpt #: 89 total cpu time spent up to now is 82.0 secs Computing kpt #: 90 total cpu time spent up to now is 83.2 secs Computing kpt #: 91 total cpu time spent up to now is 84.2 secs Computing kpt #: 92 total cpu time spent up to now is 85.3 secs Computing kpt #: 93 total cpu time spent up to now is 86.3 secs Computing kpt #: 94 total cpu time spent up to now is 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Computing kpt #: 186 total cpu time spent up to now is 172.0 secs Computing kpt #: 187 total cpu time spent up to now is 173.0 secs Computing kpt #: 188 total cpu time spent up to now is 174.0 secs Computing kpt #: 189 total cpu time spent up to now is 175.0 secs Computing kpt #: 190 total cpu time spent up to now is 176.2 secs Computing kpt #: 191 total cpu time spent up to now is 177.2 secs Computing kpt #: 192 total cpu time spent up to now is 178.4 secs Computing kpt #: 193 total cpu time spent up to now is 179.5 secs Computing kpt #: 194 total cpu time spent up to now is 180.6 secs Computing kpt #: 195 total cpu time spent up to now is 181.9 secs Computing kpt #: 196 total cpu time spent up to now is 183.2 secs Computing kpt #: 197 total cpu time spent up to now is 184.2 secs Computing kpt #: 198 total cpu time spent up to now is 185.3 secs Computing kpt #: 199 total cpu time spent up to now is 186.6 secs Computing kpt #: 200 total cpu time spent up to now is 187.6 secs Computing kpt #: 201 total cpu time spent up to now is 188.7 secs Computing kpt #: 202 total cpu time spent up to now is 189.7 secs Computing kpt #: 203 total cpu time spent up to now is 190.7 secs Computing kpt #: 204 total cpu time spent up to now is 191.8 secs Computing kpt #: 205 total cpu time spent up to now is 192.8 secs Computing kpt #: 206 total cpu time spent up to now is 193.9 secs Computing kpt #: 207 total cpu time spent up to now is 194.9 secs Computing kpt #: 208 total cpu time spent up to now is 195.9 secs Computing kpt #: 209 total cpu time spent up to now is 197.0 secs Computing kpt #: 210 total cpu time spent up to now is 198.0 secs Computing kpt #: 211 total cpu time spent up to now is 199.0 secs Computing kpt #: 212 total cpu time spent up to now is 200.0 secs Computing kpt #: 213 total cpu time spent up to now is 201.0 secs Computing kpt #: 214 total cpu time spent up to now is 201.9 secs Computing kpt #: 215 total cpu time spent up to now is 202.8 secs Computing kpt #: 216 total cpu time spent up to now is 203.8 secs Computing kpt #: 217 total cpu time spent up to now is 204.7 secs Computing kpt #: 218 total cpu time spent up to now is 205.6 secs Computing kpt #: 219 total cpu time spent up to now is 206.4 secs Computing kpt #: 220 total cpu time spent up to now is 207.2 secs Computing kpt #: 221 total cpu time spent up to now is 208.1 secs Computing kpt #: 222 total cpu time spent up to now is 208.9 secs Computing kpt #: 223 total cpu time spent up to now is 209.7 secs Computing kpt #: 224 total cpu time spent up to now is 210.6 secs Computing kpt #: 225 total cpu time spent up to now is 211.4 secs Computing kpt #: 226 total cpu time spent up to now is 212.2 secs Computing kpt #: 227 total cpu time spent up to now is 213.1 secs Computing kpt #: 228 total cpu time spent up to now is 213.9 secs Computing kpt #: 229 total cpu time spent up to now is 214.8 secs Computing kpt #: 230 total cpu time spent up to now is 215.7 secs Computing kpt #: 231 total cpu time spent up to now is 216.5 secs Computing kpt #: 232 total cpu time spent up to now is 217.4 secs Computing kpt #: 233 total cpu time spent up to now is 218.3 secs Computing kpt #: 234 total cpu time spent up to now is 219.2 secs Computing kpt #: 235 total cpu time spent up to now is 220.0 secs Computing kpt #: 236 total cpu time spent up to now is 220.9 secs Computing kpt #: 237 total cpu time spent up to now is 221.8 secs Computing kpt #: 238 total cpu time spent up to now is 222.7 secs Computing kpt #: 239 total cpu time spent up to now is 223.5 secs Computing kpt #: 240 total cpu time spent up to now is 224.4 secs Computing kpt #: 241 total cpu time spent up to now is 225.3 secs Computing kpt #: 242 total cpu time spent up to now is 226.2 secs Computing kpt #: 243 total cpu time spent up to now is 227.1 secs Computing kpt #: 244 total cpu time spent up to now is 228.0 secs Computing kpt #: 245 total cpu time spent up to now is 228.9 secs Computing kpt #: 246 total cpu time spent up to now is 229.9 secs Computing kpt #: 247 total cpu time spent up to now is 230.9 secs Computing kpt #: 248 total cpu time spent up to now is 231.9 secs Computing kpt #: 249 total cpu time spent up to now is 232.9 secs Computing kpt #: 250 total cpu time spent up to now is 233.9 secs Computing kpt #: 251 total cpu time spent up to now is 234.9 secs Computing kpt #: 252 total cpu time spent up to now is 236.0 secs Computing kpt #: 253 total cpu time spent up to now is 237.0 secs Computing kpt #: 254 total cpu time spent up to now is 238.0 secs Computing kpt #: 255 total cpu time spent up to now is 239.0 secs Computing kpt #: 256 total cpu time spent up to now is 240.1 secs Computing kpt #: 257 total cpu time spent up to now is 241.1 secs Computing kpt #: 258 total cpu time spent up to now is 242.1 secs Computing kpt #: 259 total cpu time spent up to now is 242.9 secs Computing kpt #: 260 total cpu time spent up to now is 243.8 secs Computing kpt #: 261 total cpu time spent up to now is 244.6 secs Computing kpt #: 262 total cpu time spent up to now is 245.5 secs Computing kpt #: 263 total cpu time spent up to now is 246.4 secs Computing kpt #: 264 total cpu time spent up to now is 247.2 secs Computing kpt #: 265 total cpu time spent up to now is 248.0 secs Computing kpt #: 266 total cpu time spent up to now is 248.8 secs Computing kpt #: 267 total cpu time spent up to now is 249.6 secs Computing kpt #: 268 total cpu time spent up to now is 250.4 secs Computing kpt #: 269 total cpu time spent up to now is 252.3 secs Computing kpt #: 270 total cpu time spent up to now is 253.1 secs Computing kpt #: 271 total cpu time spent up to now is 253.8 secs Computing kpt #: 272 total cpu time spent up to now is 254.5 secs Computing kpt #: 273 total cpu time spent up to now is 255.2 secs Computing kpt #: 274 total cpu time spent up to now is 255.9 secs Computing kpt #: 275 total cpu time spent up to now is 256.7 secs Computing kpt #: 276 total cpu time spent up to now is 257.4 secs Computing kpt #: 277 total cpu time spent up to now is 258.1 secs Computing kpt #: 278 total cpu time spent up to now is 258.8 secs Computing kpt #: 279 total cpu time spent up to now is 259.5 secs Computing kpt #: 280 total cpu time spent up to now is 260.3 secs Computing kpt #: 281 total cpu time spent up to now is 261.0 secs Computing kpt #: 282 total cpu time spent up to now is 261.8 secs Computing kpt #: 283 total cpu time spent up to now is 262.6 secs Computing kpt #: 284 total cpu time spent up to now is 263.6 secs Computing kpt #: 285 total cpu time spent up to now is 264.5 secs Computing kpt #: 286 total cpu time spent up to now is 265.7 secs Computing kpt #: 287 total cpu time spent up to now is 267.3 secs Computing kpt #: 288 total cpu time spent up to now is 268.6 secs Computing kpt #: 289 total cpu time spent up to now is 269.7 secs Computing kpt #: 290 total cpu time spent up to now is 270.8 secs Computing kpt #: 291 total cpu time spent up to now is 271.9 secs Computing kpt #: 292 total cpu time spent up to now is 272.9 secs ethr = 1.79E-08, avg # of iterations = 22.9 total cpu time spent up to now is 272.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6515 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1341 -11.1341 -10.6988 -10.6988 -10.6286 -10.6286 -10.5892 -10.5892 -10.4557 -10.4557 -10.4095 -10.4095 -10.3959 -10.3959 -10.1657 -10.1657 -2.3058 -2.3058 -2.1193 -2.1193 -1.9263 -1.9263 -1.9246 -1.9246 -0.1147 -0.1147 0.2274 0.2274 0.2306 0.2306 0.5267 0.5267 0.8146 0.8146 0.8218 0.8218 0.9057 0.9057 0.9389 0.9389 1.1115 1.1115 1.2949 1.2949 1.3369 1.3369 1.5080 1.5080 1.5200 1.5200 2.1337 2.1337 6.8766 6.8766 6.9099 6.9099 7.3827 7.3827 7.9455 7.9455 8.1682 8.1682 8.4932 8.4932 k = 0.0000 0.0156-0.0000 ( 6491 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1340 -11.1340 -10.7001 -10.7001 -10.6280 -10.6280 -10.5892 -10.5892 -10.4551 -10.4551 -10.4095 -10.4095 -10.3958 -10.3958 -10.1655 -10.1655 -2.3186 -2.3186 -2.1383 -2.1383 -1.9254 -1.9254 -1.8922 -1.8922 -0.1152 -0.1152 0.2244 0.2244 0.2289 0.2289 0.5226 0.5226 0.8165 0.8165 0.8255 0.8255 0.9083 0.9083 0.9416 0.9416 1.1124 1.1124 1.2952 1.2952 1.3371 1.3371 1.5081 1.5081 1.5201 1.5201 2.1337 2.1337 6.8729 6.8729 6.9100 6.9100 7.3805 7.3805 7.9389 7.9389 8.1671 8.1671 8.4919 8.4919 k = 0.0000 0.0312-0.0000 ( 6487 PWs) bands (ev): -27.0601 -27.0601 -27.0371 -27.0371 -11.1335 -11.1335 -10.7039 -10.7039 -10.6264 -10.6264 -10.5893 -10.5893 -10.4534 -10.4534 -10.4096 -10.4096 -10.3956 -10.3956 -10.1652 -10.1652 -2.3588 -2.3588 -2.1669 -2.1669 -1.9253 -1.9253 -1.8196 -1.8196 -0.1165 -0.1165 0.2133 0.2133 0.2261 0.2261 0.5109 0.5109 0.8179 0.8179 0.8399 0.8399 0.9138 0.9138 0.9511 0.9511 1.1148 1.1148 1.2960 1.2960 1.3377 1.3377 1.5081 1.5081 1.5202 1.5202 2.1337 2.1337 6.8619 6.8619 6.9099 6.9099 7.3738 7.3738 7.9191 7.9191 8.1639 8.1639 8.4881 8.4881 k = 0.0000 0.0469-0.0000 ( 6477 PWs) bands (ev): -27.0601 -27.0601 -27.0371 -27.0371 -11.1327 -11.1327 -10.7097 -10.7097 -10.6240 -10.6240 -10.5895 -10.5895 -10.4507 -10.4507 -10.4097 -10.4097 -10.3951 -10.3951 -10.1646 -10.1646 -2.4218 -2.4218 -2.1845 -2.1845 -1.9253 -1.9253 -1.7326 -1.7326 -0.1187 -0.1187 0.1955 0.1955 0.2222 0.2222 0.4939 0.4939 0.8184 0.8184 0.8634 0.8634 0.9187 0.9187 0.9698 0.9698 1.1192 1.1192 1.2973 1.2973 1.3387 1.3387 1.5082 1.5082 1.5204 1.5204 2.1336 2.1336 6.8437 6.8437 6.9095 6.9095 7.3632 7.3632 7.8862 7.8862 8.1587 8.1587 8.4821 8.4821 k = 0.0000 0.0625-0.0000 ( 6482 PWs) bands (ev): -27.0601 -27.0601 -27.0371 -27.0371 -11.1316 -11.1316 -10.7171 -10.7171 -10.6213 -10.6213 -10.5897 -10.5897 -10.4471 -10.4471 -10.4100 -10.4100 -10.3944 -10.3944 -10.1637 -10.1637 -2.4974 -2.4974 -2.1932 -2.1932 -1.9251 -1.9251 -1.6394 -1.6394 -0.1219 -0.1219 0.1724 0.1724 0.2170 0.2170 0.4736 0.4736 0.8188 0.8188 0.8912 0.8912 0.9240 0.9240 0.9964 0.9964 1.1256 1.1256 1.2992 1.2992 1.3402 1.3402 1.5084 1.5084 1.5206 1.5206 2.1334 2.1334 6.8183 6.8183 6.9079 6.9079 7.3496 7.3496 7.8405 7.8405 8.1519 8.1519 8.4743 8.4743 k = 0.0000 0.0781-0.0000 ( 6480 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1302 -11.1302 -10.7258 -10.7258 -10.6186 -10.6186 -10.5900 -10.5900 -10.4428 -10.4428 -10.4103 -10.4103 -10.3935 -10.3935 -10.1626 -10.1626 -2.5783 -2.5783 -2.1974 -2.1974 -1.9250 -1.9250 -1.5430 -1.5430 -0.1262 -0.1262 0.1455 0.1455 0.2105 0.2105 0.4519 0.4519 0.8191 0.8191 0.9108 0.9108 0.9413 0.9413 1.0278 1.0278 1.1348 1.1348 1.3018 1.3018 1.3423 1.3423 1.5085 1.5085 1.5209 1.5209 2.1333 2.1333 6.7861 6.7861 6.9045 6.9045 7.3344 7.3344 7.7828 7.7828 8.1440 8.1440 8.4648 8.4648 k = 0.0000 0.0938-0.0000 ( 6486 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1285 -11.1285 -10.7354 -10.7354 -10.6159 -10.6159 -10.5903 -10.5903 -10.4380 -10.4380 -10.4106 -10.4106 -10.3922 -10.3922 -10.1614 -10.1614 -2.6608 -2.6608 -2.1994 -2.1994 -1.9248 -1.9248 -1.4449 -1.4449 -0.1316 -0.1316 0.1161 0.1161 0.2029 0.2029 0.4301 0.4301 0.8193 0.8193 0.9158 0.9158 0.9755 0.9755 1.0610 1.0610 1.1482 1.1482 1.3053 1.3053 1.3453 1.3453 1.5088 1.5088 1.5213 1.5213 2.1330 2.1330 6.7472 6.7472 6.8980 6.8980 7.3190 7.3190 7.7142 7.7142 8.1352 8.1352 8.4528 8.4528 k = 0.0000 0.1094-0.0000 ( 6482 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1265 -11.1265 -10.7457 -10.7457 -10.6135 -10.6135 -10.5907 -10.5907 -10.4329 -10.4329 -10.4110 -10.4110 -10.3904 -10.3904 -10.1599 -10.1599 -2.7433 -2.7433 -2.2000 -2.2000 -1.9245 -1.9245 -1.3458 -1.3458 -0.1382 -0.1382 0.0849 0.0849 0.1942 0.1942 0.4090 0.4090 0.8195 0.8195 0.9172 0.9172 1.0135 1.0135 1.0930 1.0930 1.1679 1.1679 1.3099 1.3099 1.3499 1.3499 1.5091 1.5091 1.5218 1.5218 2.1327 2.1327 6.7020 6.7020 6.8873 6.8873 7.3054 7.3054 7.6362 7.6362 8.1257 8.1257 8.4300 8.4300 k = 0.0000 0.1250-0.0000 ( 6482 PWs) bands (ev): -27.0599 -27.0599 -27.0371 -27.0371 -11.1242 -11.1242 -10.7566 -10.7566 -10.6113 -10.6113 -10.5910 -10.5910 -10.4280 -10.4280 -10.4114 -10.4114 -10.3880 -10.3880 -10.1582 -10.1582 -2.8248 -2.8248 -2.2000 -2.2000 -1.9243 -1.9243 -1.2463 -1.2463 -0.1461 -0.1461 0.0529 0.0529 0.1847 0.1847 0.3894 0.3894 0.8196 0.8196 0.9177 0.9177 1.0494 1.0494 1.1225 1.1225 1.1955 1.1955 1.3156 1.3156 1.3569 1.3569 1.5094 1.5094 1.5225 1.5225 2.1324 2.1324 6.6510 6.6510 6.8711 6.8711 7.2952 7.2952 7.5506 7.5506 8.1158 8.1158 8.3778 8.3778 k = 0.0000 0.1406-0.0000 ( 6468 PWs) bands (ev): -27.0599 -27.0599 -27.0370 -27.0370 -11.1216 -11.1216 -10.7678 -10.7678 -10.6094 -10.6094 -10.5913 -10.5913 -10.4234 -10.4234 -10.4119 -10.4119 -10.3848 -10.3848 -10.1564 -10.1564 -2.9047 -2.9047 -2.1994 -2.1994 -1.9240 -1.9240 -1.1468 -1.1468 -0.1553 -0.1553 0.0206 0.0206 0.1746 0.1746 0.3717 0.3717 0.8197 0.8197 0.9179 0.9179 1.0789 1.0789 1.1520 1.1520 1.2292 1.2292 1.3222 1.3222 1.3686 1.3686 1.5099 1.5099 1.5233 1.5233 2.1321 2.1321 6.5947 6.5947 6.8488 6.8488 7.2895 7.2895 7.4591 7.4591 8.1055 8.1055 8.3248 8.3248 k = 0.0000 0.1562-0.0000 ( 6464 PWs) bands (ev): -27.0599 -27.0599 -27.0370 -27.0370 -11.1187 -11.1187 -10.7793 -10.7793 -10.6077 -10.6077 -10.5916 -10.5916 -10.4194 -10.4194 -10.4123 -10.4123 -10.3807 -10.3807 -10.1544 -10.1544 -2.9827 -2.9827 -2.1985 -2.1985 -1.9237 -1.9237 -1.0476 -1.0476 -0.1658 -0.1658 -0.0116 -0.0116 0.1640 0.1640 0.3560 0.3560 0.8197 0.8197 0.9178 0.9178 1.1000 1.1000 1.1825 1.1825 1.2663 1.2663 1.3290 1.3290 1.3879 1.3879 1.5106 1.5106 1.5243 1.5243 2.1317 2.1317 6.5337 6.5337 6.8202 6.8202 7.2885 7.2885 7.3642 7.3642 8.0948 8.0948 8.2747 8.2747 k = 0.0000 0.1719-0.0000 ( 6480 PWs) bands (ev): -27.0598 -27.0598 -27.0370 -27.0370 -11.1156 -11.1156 -10.7910 -10.7910 -10.6063 -10.6063 -10.5918 -10.5918 -10.4164 -10.4164 -10.4126 -10.4126 -10.3756 -10.3756 -10.1523 -10.1523 -3.0585 -3.0585 -2.1973 -2.1973 -1.9234 -1.9234 -0.9493 -0.9493 -0.1775 -0.1775 -0.0434 -0.0434 0.1530 0.1530 0.3426 0.3426 0.8196 0.8196 0.9177 0.9177 1.1148 1.1148 1.2099 1.2099 1.3056 1.3056 1.3358 1.3358 1.4167 1.4167 1.5115 1.5115 1.5255 1.5255 2.1312 2.1312 6.4686 6.4686 6.7858 6.7858 7.2597 7.2597 7.2996 7.2996 8.0837 8.0837 8.2275 8.2275 k = 0.0000 0.1875-0.0000 ( 6480 PWs) bands (ev): -27.0598 -27.0598 -27.0369 -27.0369 -11.1122 -11.1122 -10.8027 -10.8027 -10.6051 -10.6051 -10.5920 -10.5920 -10.4149 -10.4149 -10.4122 -10.4122 -10.3697 -10.3697 -10.1502 -10.1502 -3.1319 -3.1319 -2.1959 -2.1959 -1.9230 -1.9230 -0.8520 -0.8520 -0.1904 -0.1904 -0.0744 -0.0744 0.1420 0.1420 0.3314 0.3314 0.8195 0.8195 0.9174 0.9174 1.1260 1.1260 1.2307 1.2307 1.3360 1.3360 1.3547 1.3547 1.4533 1.4533 1.5134 1.5134 1.5272 1.5272 2.1307 2.1307 6.4001 6.4001 6.7467 6.7467 7.1621 7.1621 7.3068 7.3068 8.0722 8.0722 8.1830 8.1830 k = 0.0000 0.2031-0.0000 ( 6476 PWs) bands (ev): -27.0598 -27.0598 -27.0369 -27.0369 -11.1086 -11.1086 -10.8145 -10.8145 -10.6042 -10.6042 -10.5921 -10.5921 -10.4148 -10.4148 -10.4108 -10.4108 -10.3631 -10.3631 -10.1480 -10.1480 -3.2027 -3.2027 -2.1944 -2.1944 -1.9227 -1.9227 -0.7563 -0.7563 -0.2042 -0.2042 -0.1044 -0.1044 0.1312 0.1312 0.3224 0.3224 0.8193 0.8193 0.9171 0.9171 1.1351 1.1351 1.2451 1.2451 1.3428 1.3428 1.4006 1.4006 1.4899 1.4899 1.5196 1.5196 1.5315 1.5315 2.1301 2.1301 6.3289 6.3289 6.7039 6.7039 7.0616 7.0616 7.3204 7.3204 8.0603 8.0603 8.1409 8.1409 k = 0.0000 0.2188-0.0000 ( 6486 PWs) bands (ev): -27.0597 -27.0597 -27.0369 -27.0369 -11.1048 -11.1048 -10.8263 -10.8263 -10.6034 -10.6034 -10.5922 -10.5922 -10.4153 -10.4153 -10.4095 -10.4095 -10.3562 -10.3562 -10.1457 -10.1457 -3.2707 -3.2707 -2.1928 -2.1928 -1.9223 -1.9223 -0.6625 -0.6625 -0.2188 -0.2188 -0.1333 -0.1333 0.1207 0.1207 0.3153 0.3153 0.8190 0.8190 0.9168 0.9168 1.1426 1.1426 1.2547 1.2547 1.3474 1.3474 1.4505 1.4505 1.5060 1.5060 1.5274 1.5274 1.5595 1.5595 2.1295 2.1295 6.2556 6.2556 6.6588 6.6588 6.9611 6.9611 7.3371 7.3371 8.0480 8.0480 8.1011 8.1011 k = 0.0000 0.2344-0.0000 ( 6480 PWs) bands (ev): -27.0597 -27.0597 -27.0369 -27.0369 -11.1008 -11.1008 -10.8380 -10.8380 -10.6028 -10.6028 -10.5923 -10.5923 -10.4158 -10.4158 -10.4084 -10.4084 -10.3489 -10.3489 -10.1435 -10.1435 -3.3357 -3.3357 -2.1910 -2.1910 -1.9219 -1.9219 -0.5712 -0.5712 -0.2341 -0.2341 -0.1609 -0.1609 0.1110 0.1110 0.3102 0.3102 0.8187 0.8187 0.9164 0.9164 1.1491 1.1491 1.2614 1.2614 1.3517 1.3517 1.4950 1.4950 1.5174 1.5174 1.5304 1.5304 1.6070 1.6070 2.1289 2.1289 6.1809 6.1809 6.6122 6.6122 6.8617 6.8617 7.3561 7.3561 8.0353 8.0353 8.0636 8.0636 k = 0.0000 0.2500-0.0000 ( 6500 PWs) bands (ev): -27.0596 -27.0596 -27.0368 -27.0368 -11.0965 -11.0965 -10.8496 -10.8496 -10.6024 -10.6024 -10.5924 -10.5924 -10.4164 -10.4164 -10.4075 -10.4075 -10.3416 -10.3416 -10.1412 -10.1412 -3.3978 -3.3978 -2.1893 -2.1893 -1.9215 -1.9215 -0.4831 -0.4831 -0.2497 -0.2497 -0.1871 -0.1871 0.1023 0.1023 0.3066 0.3066 0.8183 0.8183 0.9160 0.9160 1.1546 1.1546 1.2662 1.2662 1.3556 1.3556 1.5054 1.5054 1.5323 1.5323 1.5621 1.5621 1.6582 1.6582 2.1282 2.1282 6.1056 6.1056 6.5650 6.5650 6.7639 6.7639 7.3762 7.3762 8.0204 8.0204 8.0304 8.0304 k = 0.0000 0.2656-0.0000 ( 6494 PWs) bands (ev): -27.0596 -27.0596 -27.0368 -27.0368 -11.0921 -11.0921 -10.8610 -10.8610 -10.6020 -10.6020 -10.5924 -10.5924 -10.4169 -10.4169 -10.4067 -10.4067 -10.3344 -10.3344 -10.1390 -10.1390 -3.4566 -3.4566 -2.1874 -2.1874 -1.9212 -1.9212 -0.3991 -0.3991 -0.2653 -0.2653 -0.2117 -0.2117 0.0955 0.0955 0.3045 0.3045 0.8179 0.8179 0.9156 0.9156 1.1593 1.1593 1.2698 1.2698 1.3594 1.3594 1.5071 1.5071 1.5349 1.5349 1.6147 1.6147 1.7106 1.7106 2.1276 2.1276 6.0302 6.0302 6.5181 6.5181 6.6684 6.6684 7.3968 7.3968 7.9920 7.9920 8.0130 8.0130 k = 0.0000 0.2812-0.0000 ( 6502 PWs) bands (ev): -27.0596 -27.0596 -27.0368 -27.0368 -11.0875 -11.0875 -10.8723 -10.8723 -10.6017 -10.6017 -10.5925 -10.5925 -10.4175 -10.4175 -10.4061 -10.4061 -10.3272 -10.3272 -10.1369 -10.1369 -3.5122 -3.5122 -2.1856 -2.1856 -1.9208 -1.9208 -0.3223 -0.3223 -0.2791 -0.2791 -0.2345 -0.2345 0.0912 0.0912 0.3035 0.3035 0.8174 0.8174 0.9152 0.9152 1.1633 1.1633 1.2724 1.2724 1.3630 1.3630 1.5078 1.5078 1.5374 1.5374 1.6676 1.6676 1.7629 1.7629 2.1271 2.1271 5.9555 5.9555 6.4720 6.4720 6.5757 6.5757 7.4171 7.4171 7.9608 7.9608 8.0011 8.0011 k = 0.0000 0.2969-0.0000 ( 6504 PWs) bands (ev): -27.0595 -27.0595 -27.0367 -27.0367 -11.0826 -11.0826 -10.8833 -10.8833 -10.6014 -10.6014 -10.5925 -10.5925 -10.4181 -10.4181 -10.4056 -10.4056 -10.3203 -10.3203 -10.1349 -10.1349 -3.5644 -3.5644 -2.1838 -2.1838 -1.9204 -1.9204 -0.3011 -0.3011 -0.2576 -0.2576 -0.2421 -0.2421 0.0912 0.0912 0.3035 0.3035 0.8170 0.8170 0.9148 0.9148 1.1666 1.1666 1.2743 1.2743 1.3664 1.3664 1.5082 1.5082 1.5401 1.5401 1.7197 1.7197 1.8147 1.8147 2.1266 2.1266 5.8819 5.8819 6.4272 6.4272 6.4864 6.4864 7.4364 7.4364 7.9313 7.9313 7.9906 7.9906 k = 0.0000 0.3125-0.0000 ( 6508 PWs) bands (ev): -27.0595 -27.0595 -27.0367 -27.0367 -11.0777 -11.0777 -10.8941 -10.8941 -10.6012 -10.6012 -10.5926 -10.5926 -10.4186 -10.4186 -10.4052 -10.4052 -10.3137 -10.3137 -10.1329 -10.1329 -3.6132 -3.6132 -2.1820 -2.1820 -1.9200 -1.9200 -0.3154 -0.3154 -0.2758 -0.2758 -0.1820 -0.1820 0.0979 0.0979 0.3043 0.3043 0.8165 0.8165 0.9144 0.9144 1.1692 1.1692 1.2757 1.2757 1.3695 1.3695 1.5084 1.5084 1.5429 1.5429 1.7703 1.7703 1.8653 1.8653 2.1264 2.1264 5.8103 5.8103 6.3840 6.3840 6.4011 6.4011 7.4540 7.4540 7.9037 7.9037 7.9817 7.9817 k = 0.0000 0.3281-0.0000 ( 6504 PWs) bands (ev): -27.0594 -27.0594 -27.0367 -27.0367 -11.0725 -11.0725 -10.9046 -10.9046 -10.6010 -10.6010 -10.5927 -10.5927 -10.4191 -10.4191 -10.4048 -10.4048 -10.3073 -10.3073 -10.1311 -10.1311 -3.6584 -3.6584 -2.1803 -2.1803 -1.9197 -1.9197 -0.3305 -0.3305 -0.2933 -0.2933 -0.1328 -0.1328 0.1144 0.1144 0.3057 0.3057 0.8161 0.8161 0.9141 0.9141 1.1713 1.1713 1.2766 1.2766 1.3723 1.3723 1.5085 1.5085 1.5457 1.5457 1.8190 1.8190 1.9141 1.9141 2.1265 2.1265 5.7412 5.7412 6.3192 6.3192 6.3440 6.3440 7.4694 7.4694 7.8781 7.8781 7.9746 7.9746 k = 0.0000 0.3438-0.0000 ( 6500 PWs) bands (ev): -27.0594 -27.0594 -27.0366 -27.0366 -11.0672 -11.0672 -10.9148 -10.9148 -10.6009 -10.6009 -10.5928 -10.5928 -10.4196 -10.4196 -10.4045 -10.4045 -10.3014 -10.3014 -10.1294 -10.1294 -3.6999 -3.6999 -2.1786 -2.1786 -1.9194 -1.9194 -0.3451 -0.3451 -0.3092 -0.3092 -0.0990 -0.0990 0.1430 0.1430 0.3074 0.3074 0.8156 0.8156 0.9137 0.9137 1.1727 1.1727 1.2772 1.2772 1.3748 1.3748 1.5085 1.5085 1.5485 1.5485 1.8651 1.8651 1.9607 1.9607 2.1273 2.1273 5.6751 5.6751 6.2429 6.2429 6.3058 6.3058 7.4821 7.4821 7.8547 7.8547 7.9697 7.9697 k = 0.0000 0.3594-0.0000 ( 6502 PWs) bands (ev): -27.0594 -27.0594 -27.0366 -27.0366 -11.0617 -11.0617 -10.9247 -10.9247 -10.6007 -10.6007 -10.5930 -10.5930 -10.4201 -10.4201 -10.4043 -10.4043 -10.2958 -10.2958 -10.1278 -10.1278 -3.7378 -3.7378 -2.1771 -2.1771 -1.9191 -1.9191 -0.3589 -0.3589 -0.3234 -0.3234 -0.0794 -0.0794 0.1819 0.1819 0.3095 0.3095 0.8152 0.8152 0.9133 0.9133 1.1737 1.1737 1.2774 1.2774 1.3770 1.3770 1.5084 1.5084 1.5512 1.5512 1.9080 1.9080 2.0043 2.0043 2.1292 2.1292 5.6129 5.6129 6.1718 6.1718 6.2705 6.2705 7.4920 7.4920 7.8334 7.8334 7.9670 7.9670 k = 0.0000 0.3750-0.0000 ( 6512 PWs) bands (ev): -27.0593 -27.0593 -27.0366 -27.0366 -11.0561 -11.0561 -10.9344 -10.9344 -10.6005 -10.6005 -10.5932 -10.5932 -10.4205 -10.4205 -10.4040 -10.4040 -10.2908 -10.2908 -10.1264 -10.1264 -3.7718 -3.7718 -2.1757 -2.1757 -1.9188 -1.9188 -0.3717 -0.3717 -0.3360 -0.3360 -0.0697 -0.0697 0.2262 0.2262 0.3117 0.3117 0.8147 0.8147 0.9130 0.9130 1.1741 1.1741 1.2774 1.2774 1.3788 1.3788 1.5083 1.5083 1.5538 1.5538 1.9469 1.9469 2.0438 2.0438 2.1330 2.1330 5.5550 5.5550 6.1065 6.1065 6.2384 6.2384 7.4990 7.4990 7.8142 7.8142 7.9666 7.9666 k = 0.0000 0.3906-0.0000 ( 6524 PWs) bands (ev): -27.0593 -27.0593 -27.0366 -27.0366 -11.0503 -11.0503 -10.9437 -10.9437 -10.6004 -10.6004 -10.5934 -10.5934 -10.4209 -10.4209 -10.4039 -10.4039 -10.2862 -10.2862 -10.1252 -10.1252 -3.8020 -3.8020 -2.1744 -2.1744 -1.9185 -1.9185 -0.3833 -0.3833 -0.3470 -0.3470 -0.0657 -0.0657 0.2714 0.2714 0.3140 0.3140 0.8143 0.8143 0.9127 0.9127 1.1740 1.1740 1.2773 1.2773 1.3804 1.3804 1.5082 1.5082 1.5562 1.5562 1.9809 1.9809 2.0776 2.0776 2.1405 2.1405 5.5020 5.5020 6.0473 6.0473 6.2095 6.2095 7.5034 7.5034 7.7973 7.7973 7.9681 7.9681 k = 0.0000 0.4062-0.0000 ( 6522 PWs) bands (ev): -27.0593 -27.0593 -27.0366 -27.0366 -11.0444 -11.0444 -10.9528 -10.9528 -10.6002 -10.6002 -10.5935 -10.5935 -10.4212 -10.4212 -10.4037 -10.4037 -10.2822 -10.2822 -10.1241 -10.1241 -3.8283 -3.8283 -2.1732 -2.1732 -1.9183 -1.9183 -0.3936 -0.3936 -0.3566 -0.3566 -0.0647 -0.0647 0.3117 0.3117 0.3190 0.3190 0.8139 0.8139 0.9124 0.9124 1.1737 1.1737 1.2770 1.2770 1.3817 1.3817 1.5081 1.5081 1.5584 1.5584 2.0091 2.0091 2.1036 2.1036 2.1539 2.1539 5.4547 5.4547 5.9949 5.9949 6.1842 6.1842 7.5056 7.5056 7.7825 7.7825 7.9710 7.9710 k = 0.0000 0.4219-0.0000 ( 6524 PWs) bands (ev): -27.0593 -27.0593 -27.0365 -27.0365 -11.0383 -11.0383 -10.9614 -10.9614 -10.6000 -10.6000 -10.5937 -10.5937 -10.4215 -10.4215 -10.4036 -10.4036 -10.2787 -10.2787 -10.1232 -10.1232 -3.8506 -3.8506 -2.1722 -2.1722 -1.9181 -1.9181 -0.4024 -0.4024 -0.3646 -0.3646 -0.0652 -0.0652 0.3174 0.3174 0.3541 0.3541 0.8136 0.8136 0.9122 0.9122 1.1730 1.1730 1.2766 1.2766 1.3827 1.3827 1.5079 1.5079 1.5603 1.5603 2.0305 2.0305 2.1219 2.1219 2.1731 2.1731 5.4134 5.4134 5.9496 5.9496 6.1625 6.1625 7.5062 7.5062 7.7700 7.7700 7.9749 7.9749 k = 0.0000 0.4375-0.0000 ( 6520 PWs) bands (ev): -27.0593 -27.0593 -27.0365 -27.0365 -11.0322 -11.0322 -10.9697 -10.9697 -10.5999 -10.5999 -10.5939 -10.5939 -10.4217 -10.4217 -10.4035 -10.4035 -10.2758 -10.2758 -10.1225 -10.1225 -3.8689 -3.8689 -2.1713 -2.1713 -1.9179 -1.9179 -0.4097 -0.4097 -0.3712 -0.3712 -0.0663 -0.0663 0.3192 0.3192 0.3874 0.3874 0.8134 0.8134 0.9120 0.9120 1.1722 1.1722 1.2762 1.2762 1.3834 1.3834 1.5078 1.5078 1.5619 1.5619 2.0454 2.0454 2.1362 2.1362 2.1934 2.1934 5.3789 5.3789 5.9120 5.9120 6.1446 6.1446 7.5057 7.5057 7.7597 7.7597 7.9790 7.9790 k = 0.0000 0.4531-0.0000 ( 6516 PWs) bands (ev): -27.0593 -27.0593 -27.0365 -27.0365 -11.0260 -11.0260 -10.9776 -10.9776 -10.5997 -10.5997 -10.5941 -10.5941 -10.4218 -10.4218 -10.4034 -10.4034 -10.2735 -10.2735 -10.1219 -10.1219 -3.8832 -3.8832 -2.1707 -2.1707 -1.9178 -1.9178 -0.4154 -0.4154 -0.3763 -0.3763 -0.0675 -0.0675 0.3206 0.3206 0.4142 0.4142 0.8132 0.8132 0.9118 0.9118 1.1714 1.1714 1.2759 1.2759 1.3840 1.3840 1.5077 1.5077 1.5632 1.5632 2.0548 2.0548 2.1484 2.1484 2.2112 2.2112 5.3515 5.3515 5.8822 5.8822 6.1306 6.1306 7.5047 7.5047 7.7518 7.7518 7.9829 7.9829 k = 0.0000 0.4688-0.0000 ( 6516 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0200 -11.0200 -10.9848 -10.9848 -10.5996 -10.5996 -10.5942 -10.5942 -10.4220 -10.4220 -10.4033 -10.4033 -10.2719 -10.2719 -10.1215 -10.1215 -3.8934 -3.8934 -2.1702 -2.1702 -1.9177 -1.9177 -0.4195 -0.4195 -0.3800 -0.3800 -0.0685 -0.0685 0.3216 0.3216 0.4339 0.4339 0.8130 0.8130 0.9117 0.9117 1.1707 1.1707 1.2756 1.2756 1.3844 1.3844 1.5076 1.5076 1.5641 1.5641 2.0602 2.0602 2.1580 2.1580 2.2246 2.2246 5.3316 5.3316 5.8608 5.8608 6.1205 6.1205 7.5036 7.5036 7.7460 7.7460 7.9860 7.9860 k = 0.0000 0.4844-0.0000 ( 6522 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0148 -11.0148 -10.9907 -10.9907 -10.5996 -10.5996 -10.5943 -10.5943 -10.4220 -10.4220 -10.4033 -10.4033 -10.2709 -10.2709 -10.1213 -10.1213 -3.8996 -3.8996 -2.1699 -2.1699 -1.9176 -1.9176 -0.4220 -0.4220 -0.3822 -0.3822 -0.0692 -0.0692 0.3223 0.3223 0.4459 0.4459 0.8129 0.8129 0.9116 0.9116 1.1702 1.1702 1.2754 1.2754 1.3846 1.3846 1.5076 1.5076 1.5647 1.5647 2.0629 2.0629 2.1642 2.1642 2.2330 2.2330 5.3195 5.3195 5.8478 5.8478 6.1145 6.1145 7.5028 7.5028 7.7426 7.7426 7.9880 7.9880 k = 0.0000 0.5000-0.0000 ( 6520 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0123 -11.0123 -10.9934 -10.9934 -10.5995 -10.5995 -10.5943 -10.5943 -10.4221 -10.4221 -10.4033 -10.4033 -10.2706 -10.2706 -10.1212 -10.1212 -3.9016 -3.9016 -2.1698 -2.1698 -1.9176 -1.9176 -0.4228 -0.4228 -0.3829 -0.3829 -0.0695 -0.0695 0.3225 0.3225 0.4500 0.4500 0.8129 0.8129 0.9116 0.9116 1.1701 1.1701 1.2753 1.2753 1.3847 1.3847 1.5075 1.5075 1.5649 1.5649 2.0638 2.0638 2.1663 2.1663 2.2358 2.2358 5.3155 5.3155 5.8434 5.8434 6.1125 6.1125 7.5025 7.5025 7.7415 7.7415 7.9887 7.9887 k = 0.0000 0.5000-0.0000 ( 6520 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0123 -11.0123 -10.9934 -10.9934 -10.5995 -10.5995 -10.5943 -10.5943 -10.4221 -10.4221 -10.4033 -10.4033 -10.2706 -10.2706 -10.1212 -10.1212 -3.9016 -3.9016 -2.1698 -2.1698 -1.9176 -1.9176 -0.4228 -0.4228 -0.3829 -0.3829 -0.0695 -0.0695 0.3225 0.3225 0.4500 0.4500 0.8129 0.8129 0.9116 0.9116 1.1701 1.1701 1.2753 1.2753 1.3847 1.3847 1.5075 1.5075 1.5649 1.5649 2.0638 2.0638 2.1663 2.1663 2.2358 2.2358 5.3155 5.3155 5.8434 5.8434 6.1125 6.1125 7.5025 7.5025 7.7415 7.7415 7.9887 7.9887 k = 0.0156 0.5000-0.0000 ( 6526 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0124 -11.0124 -10.9932 -10.9932 -10.6032 -10.6032 -10.5911 -10.5911 -10.4221 -10.4221 -10.4038 -10.4038 -10.2698 -10.2698 -10.1211 -10.1211 -3.9016 -3.9016 -2.2030 -2.2030 -1.8832 -1.8832 -0.4231 -0.4231 -0.3829 -0.3829 -0.0711 -0.0711 0.3183 0.3183 0.4493 0.4493 0.8174 0.8174 0.9161 0.9161 1.1704 1.1704 1.2755 1.2755 1.3848 1.3848 1.5076 1.5076 1.5649 1.5649 2.0637 2.0637 2.1662 2.1662 2.2358 2.2358 5.3137 5.3137 5.8376 5.8376 6.1085 6.1085 7.5085 7.5085 7.7363 7.7363 7.9988 7.9988 k = 0.0312 0.5000-0.0000 ( 6522 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0124 -11.0124 -10.9926 -10.9926 -10.6089 -10.6089 -10.5866 -10.5866 -10.4223 -10.4223 -10.4051 -10.4051 -10.2674 -10.2674 -10.1207 -10.1207 -3.9016 -3.9016 -2.2746 -2.2746 -1.8078 -1.8078 -0.4241 -0.4241 -0.3830 -0.3830 -0.0759 -0.0759 0.3064 0.3064 0.4473 0.4473 0.8304 0.8304 0.9292 0.9292 1.1714 1.1714 1.2759 1.2759 1.3852 1.3852 1.5077 1.5077 1.5648 1.5648 2.0634 2.0634 2.1659 2.1659 2.2360 2.2360 5.3084 5.3084 5.8205 5.8205 6.0965 6.0965 7.5262 7.5262 7.7234 7.7234 8.0263 8.0263 k = 0.0469 0.5000-0.0000 ( 6528 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0125 -11.0125 -10.9917 -10.9917 -10.6153 -10.6153 -10.5823 -10.5823 -10.4226 -10.4226 -10.4073 -10.4073 -10.2635 -10.2635 -10.1202 -10.1202 -3.9015 -3.9015 -2.3581 -2.3581 -1.7180 -1.7180 -0.4258 -0.4258 -0.3830 -0.3830 -0.0836 -0.0836 0.2879 0.2879 0.4444 0.4444 0.8510 0.8510 0.9500 0.9500 1.1732 1.1732 1.2766 1.2766 1.3858 1.3858 1.5078 1.5078 1.5648 1.5648 2.0630 2.0630 2.1655 2.1655 2.2362 2.2362 5.2996 5.2996 5.7928 5.7928 6.0767 6.0767 7.5547 7.5547 7.7080 7.7080 8.0642 8.0642 k = 0.0625 0.5000-0.0000 ( 6518 PWs) bands (ev): -27.0592 -27.0592 -27.0364 -27.0364 -11.0125 -11.0125 -10.9903 -10.9903 -10.6222 -10.6222 -10.5783 -10.5783 -10.4231 -10.4231 -10.4100 -10.4100 -10.2585 -10.2585 -10.1194 -10.1194 -3.9015 -3.9015 -2.4450 -2.4450 -1.6225 -1.6225 -0.4284 -0.4284 -0.3828 -0.3828 -0.0940 -0.0940 0.2644 0.2644 0.4411 0.4411 0.8780 0.8780 0.9771 0.9771 1.1760 1.1760 1.2777 1.2777 1.3868 1.3868 1.5081 1.5081 1.5648 1.5648 2.0624 2.0624 2.1648 2.1648 2.2366 2.2366 5.2873 5.2873 5.7559 5.7559 6.0492 6.0492 7.5928 7.5928 7.6941 7.6941 8.0491 8.0491 k = 0.0781 0.5000-0.0000 ( 6526 PWs) bands (ev): -27.0592 -27.0592 -27.0364 -27.0364 -11.0126 -11.0126 -10.9887 -10.9887 -10.6296 -10.6296 -10.5746 -10.5746 -10.4238 -10.4238 -10.4131 -10.4131 -10.2524 -10.2524 -10.1184 -10.1184 -3.9014 -3.9014 -2.5322 -2.5322 -1.5241 -1.5241 -0.4320 -0.4320 -0.3823 -0.3823 -0.1067 -0.1067 0.2371 0.2371 0.4377 0.4377 0.9101 0.9101 1.0088 1.0088 1.1801 1.1801 1.2791 1.2791 1.3882 1.3882 1.5084 1.5084 1.5647 1.5647 2.0615 2.0615 2.1640 2.1640 2.2371 2.2371 5.2716 5.2716 5.7110 5.7110 6.0143 6.0143 7.6389 7.6389 7.6845 7.6845 8.0273 8.0273 k = 0.0938 0.5000-0.0000 ( 6526 PWs) bands (ev): -27.0592 -27.0592 -27.0364 -27.0364 -11.0126 -11.0126 -10.9868 -10.9868 -10.6373 -10.6373 -10.5713 -10.5713 -10.4248 -10.4248 -10.4162 -10.4162 -10.2456 -10.2456 -10.1171 -10.1171 -3.9013 -3.9013 -2.6187 -2.6187 -1.4241 -1.4241 -0.4368 -0.4368 -0.3814 -0.3814 -0.1213 -0.1213 0.2075 0.2075 0.4346 0.4346 0.9465 0.9465 1.0431 1.0431 1.1866 1.1866 1.2808 1.2808 1.3902 1.3902 1.5088 1.5088 1.5646 1.5646 2.0605 2.0605 2.1630 2.1630 2.2377 2.2377 5.2524 5.2524 5.6597 5.6597 5.9723 5.9723 7.6791 7.6791 7.6927 7.6927 8.0025 8.0025 k = 0.1094 0.5000-0.0000 ( 6526 PWs) bands (ev): -27.0591 -27.0591 -27.0364 -27.0364 -11.0126 -11.0126 -10.9846 -10.9846 -10.6454 -10.6454 -10.5682 -10.5682 -10.4263 -10.4263 -10.4189 -10.4189 -10.2383 -10.2383 -10.1156 -10.1156 -3.9012 -3.9012 -2.7037 -2.7037 -1.3233 -1.3233 -0.4427 -0.4427 -0.3799 -0.3799 -0.1372 -0.1372 0.1763 0.1763 0.4321 0.4321 0.9863 0.9863 1.0770 1.0770 1.1969 1.1969 1.2829 1.2829 1.3930 1.3930 1.5093 1.5093 1.5646 1.5646 2.0593 2.0593 2.1618 2.1618 2.2385 2.2385 5.2298 5.2298 5.6034 5.6034 5.9238 5.9238 7.6816 7.6816 7.7499 7.7499 7.9753 7.9753 k = 0.1250 0.5000-0.0000 ( 6530 PWs) bands (ev): -27.0591 -27.0591 -27.0364 -27.0364 -11.0125 -11.0125 -10.9821 -10.9821 -10.6539 -10.6539 -10.5653 -10.5653 -10.4284 -10.4284 -10.4211 -10.4211 -10.2305 -10.2305 -10.1140 -10.1140 -3.9012 -3.9012 -2.7869 -2.7869 -1.2221 -1.2221 -0.4497 -0.4497 -0.3781 -0.3781 -0.1541 -0.1541 0.1444 0.1444 0.4301 0.4301 1.0288 1.0288 1.1065 1.1065 1.2139 1.2139 1.2855 1.2855 1.3970 1.3970 1.5099 1.5099 1.5645 1.5645 2.0578 2.0578 2.1605 2.1605 2.2393 2.2393 5.2040 5.2040 5.5432 5.5432 5.8694 5.8694 7.6900 7.6900 7.8113 7.8113 7.9466 7.9466 k = 0.1406 0.5000-0.0000 ( 6518 PWs) bands (ev): -27.0591 -27.0591 -27.0363 -27.0363 -11.0124 -11.0124 -10.9795 -10.9795 -10.6626 -10.6626 -10.5627 -10.5627 -10.4311 -10.4311 -10.4226 -10.4226 -10.2226 -10.2226 -10.1120 -10.1120 -3.9011 -3.9011 -2.8678 -2.8678 -1.1208 -1.1208 -0.4579 -0.4579 -0.3757 -0.3757 -0.1716 -0.1716 0.1123 0.1123 0.4287 0.4287 1.0733 1.0733 1.1281 1.1281 1.2395 1.2395 1.2891 1.2891 1.4031 1.4031 1.5107 1.5107 1.5644 1.5644 2.0562 2.0562 2.1590 2.1590 2.2403 2.2403 5.1750 5.1750 5.4803 5.4803 5.8096 5.8096 7.7046 7.7046 7.8745 7.8745 7.9177 7.9177 k = 0.1562 0.5000-0.0000 ( 6530 PWs) bands (ev): -27.0590 -27.0590 -27.0363 -27.0363 -11.0122 -11.0122 -10.9766 -10.9766 -10.6716 -10.6716 -10.5604 -10.5604 -10.4341 -10.4341 -10.4238 -10.4238 -10.2146 -10.2146 -10.1099 -10.1099 -3.9012 -3.9012 -2.9465 -2.9465 -1.0199 -1.0199 -0.4671 -0.4671 -0.3730 -0.3730 -0.1892 -0.1892 0.0803 0.0803 0.4280 0.4280 1.1187 1.1187 1.1420 1.1420 1.2690 1.2690 1.2963 1.2963 1.4126 1.4126 1.5115 1.5115 1.5644 1.5644 2.0544 2.0544 2.1574 2.1574 2.2414 2.2414 5.1429 5.1429 5.4156 5.4156 5.7453 5.7453 7.7254 7.7254 7.8854 7.8854 7.9421 7.9421 k = 0.1719 0.5000-0.0000 ( 6522 PWs) bands (ev): -27.0590 -27.0590 -27.0363 -27.0363 -11.0120 -11.0120 -10.9735 -10.9735 -10.6808 -10.6808 -10.5582 -10.5582 -10.4370 -10.4370 -10.4248 -10.4248 -10.2066 -10.2066 -10.1075 -10.1075 -3.9013 -3.9013 -3.0225 -3.0225 -0.9195 -0.9195 -0.4771 -0.4771 -0.3700 -0.3700 -0.2066 -0.2066 0.0488 0.0488 0.4279 0.4279 1.1489 1.1489 1.1663 1.1663 1.2860 1.2860 1.3182 1.3182 1.4283 1.4283 1.5126 1.5126 1.5644 1.5644 2.0524 2.0524 2.1557 2.1557 2.2427 2.2427 5.1079 5.1079 5.3499 5.3499 5.6770 5.6770 7.7518 7.7518 7.8563 7.8563 8.0074 8.0074 k = 0.1875 0.5000-0.0000 ( 6518 PWs) bands (ev): -27.0589 -27.0589 -27.0363 -27.0363 -11.0118 -11.0118 -10.9703 -10.9703 -10.6901 -10.6901 -10.5563 -10.5563 -10.4399 -10.4399 -10.4258 -10.4258 -10.1987 -10.1987 -10.1050 -10.1050 -3.9016 -3.9016 -3.0958 -3.0958 -0.8200 -0.8200 -0.4881 -0.4881 -0.3667 -0.3667 -0.2237 -0.2237 0.0181 0.0181 0.4282 0.4282 1.1553 1.1553 1.2103 1.2103 1.2920 1.2920 1.3482 1.3482 1.4535 1.4535 1.5141 1.5141 1.5644 1.5644 2.0502 2.0502 2.1540 2.1540 2.2441 2.2441 5.0702 5.0702 5.2839 5.2839 5.6056 5.6056 7.7832 7.7832 7.8276 7.8276 8.0726 8.0726 k = 0.2031 0.5000-0.0000 ( 6514 PWs) bands (ev): -27.0589 -27.0589 -27.0362 -27.0362 -11.0115 -11.0115 -10.9669 -10.9669 -10.6995 -10.6995 -10.5545 -10.5545 -10.4426 -10.4426 -10.4267 -10.4267 -10.1911 -10.1911 -10.1022 -10.1022 -3.9020 -3.9020 -3.1662 -3.1662 -0.7217 -0.7217 -0.4997 -0.4997 -0.3632 -0.3632 -0.2401 -0.2401 -0.0118 -0.0118 0.4290 0.4290 1.1596 1.1596 1.2509 1.2509 1.2964 1.2964 1.3762 1.3762 1.4884 1.4884 1.5172 1.5172 1.5646 1.5646 2.0478 2.0478 2.1522 2.1522 2.2455 2.2455 5.0300 5.0300 5.2182 5.2182 5.5318 5.5318 7.7972 7.7972 7.8220 7.8220 8.1365 8.1365 k = 0.2188 0.5000-0.0000 ( 6498 PWs) bands (ev): -27.0588 -27.0588 -27.0362 -27.0362 -11.0111 -11.0111 -10.9633 -10.9633 -10.7089 -10.7089 -10.5528 -10.5528 -10.4451 -10.4451 -10.4275 -10.4275 -10.1837 -10.1837 -10.0992 -10.0992 -3.9026 -3.9026 -3.2334 -3.2334 -0.6249 -0.6249 -0.5117 -0.5117 -0.3596 -0.3596 -0.2557 -0.2557 -0.0406 -0.0406 0.4302 0.4302 1.1628 1.1628 1.2837 1.2837 1.3010 1.3010 1.4057 1.4057 1.5117 1.5117 1.5404 1.5404 1.5653 1.5653 2.0453 2.0453 2.1504 2.1504 2.2471 2.2471 4.9876 4.9876 5.1533 5.1533 5.4561 5.4561 7.7713 7.7713 7.8617 7.8617 8.1983 8.1983 k = 0.2344 0.5000-0.0000 ( 6498 PWs) bands (ev): -27.0588 -27.0588 -27.0362 -27.0362 -11.0108 -11.0108 -10.9597 -10.9597 -10.7182 -10.7182 -10.5513 -10.5513 -10.4475 -10.4475 -10.4284 -10.4284 -10.1768 -10.1768 -10.0961 -10.0961 -3.9034 -3.9034 -3.2974 -3.2974 -0.5319 -0.5319 -0.5224 -0.5224 -0.3560 -0.3560 -0.2704 -0.2704 -0.0681 -0.0681 0.4316 0.4316 1.1653 1.1653 1.3009 1.3009 1.3110 1.3110 1.4410 1.4410 1.5153 1.5153 1.5656 1.5656 1.5892 1.5892 2.0427 2.0427 2.1485 2.1485 2.2487 2.2487 4.9432 4.9432 5.0897 5.0897 5.3793 5.3793 7.7460 7.7460 7.9060 7.9060 8.2572 8.2572 k = 0.2500 0.5000-0.0000 ( 6506 PWs) bands (ev): -27.0587 -27.0587 -27.0361 -27.0361 -11.0105 -11.0105 -10.9559 -10.9559 -10.7275 -10.7275 -10.5500 -10.5500 -10.4496 -10.4496 -10.4292 -10.4292 -10.1702 -10.1702 -10.0928 -10.0928 -3.9046 -3.9046 -3.3580 -3.3580 -0.5375 -0.5375 -0.4368 -0.4368 -0.3524 -0.3524 -0.2838 -0.2838 -0.0944 -0.0944 0.4332 0.4332 1.1673 1.1673 1.3059 1.3059 1.3245 1.3245 1.4815 1.4815 1.5173 1.5173 1.5684 1.5684 1.6412 1.6412 2.0400 2.0400 2.1467 2.1467 2.2504 2.2504 4.8972 4.8972 5.0276 5.0276 5.3020 5.3020 7.7222 7.7222 7.9533 7.9533 8.3125 8.3125 k = 0.2656 0.5000-0.0000 ( 6504 PWs) bands (ev): -27.0587 -27.0587 -27.0361 -27.0361 -11.0101 -11.0101 -10.9521 -10.9521 -10.7366 -10.7366 -10.5488 -10.5488 -10.4515 -10.4515 -10.4301 -10.4301 -10.1640 -10.1640 -10.0894 -10.0894 -3.9061 -3.9061 -3.4150 -3.4150 -0.5503 -0.5503 -0.3503 -0.3503 -0.3464 -0.3464 -0.2950 -0.2950 -0.1193 -0.1193 0.4350 0.4350 1.1689 1.1689 1.3097 1.3097 1.3334 1.3334 1.5191 1.5191 1.5205 1.5205 1.5768 1.5768 1.6949 1.6949 2.0374 2.0374 2.1450 2.1450 2.2521 2.2521 4.8499 4.8499 4.9676 4.9676 5.2247 5.2247 7.7000 7.7000 8.0029 8.0029 8.3635 8.3635 k = 0.2812 0.5000-0.0000 ( 6512 PWs) bands (ev): -27.0587 -27.0587 -27.0361 -27.0361 -11.0098 -11.0098 -10.9482 -10.9482 -10.7456 -10.7456 -10.5477 -10.5477 -10.4533 -10.4533 -10.4308 -10.4308 -10.1583 -10.1583 -10.0859 -10.0859 -3.9082 -3.9082 -3.4682 -3.4682 -0.5632 -0.5632 -0.3463 -0.3463 -0.3099 -0.3099 -0.2563 -0.2563 -0.1424 -0.1424 0.4370 0.4370 1.1701 1.1701 1.3131 1.3131 1.3393 1.3393 1.5210 1.5210 1.5436 1.5436 1.6030 1.6030 1.7488 1.7488 2.0351 2.0351 2.1433 2.1433 2.2539 2.2539 4.8018 4.8018 4.9099 4.9099 5.1480 5.1480 7.6796 7.6796 8.0543 8.0543 8.4097 8.4097 k = 0.2969 0.5000-0.0000 ( 6502 PWs) bands (ev): -27.0586 -27.0586 -27.0361 -27.0361 -11.0094 -11.0094 -10.9442 -10.9442 -10.7543 -10.7543 -10.5467 -10.5467 -10.4549 -10.4549 -10.4316 -10.4316 -10.1530 -10.1530 -10.0824 -10.0824 -3.9107 -3.9107 -3.5174 -3.5174 -0.5758 -0.5758 -0.3447 -0.3447 -0.3177 -0.3177 -0.1801 -0.1801 -0.1571 -0.1571 0.4389 0.4389 1.1710 1.1710 1.3163 1.3163 1.3433 1.3433 1.5229 1.5229 1.5507 1.5507 1.6458 1.6458 1.8021 1.8021 2.0333 2.0333 2.1419 2.1419 2.2557 2.2557 4.7532 4.7532 4.8548 4.8548 5.0725 5.0725 7.6609 7.6609 8.1065 8.1065 8.4506 8.4506 k = 0.3125 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0586 -27.0586 -27.0360 -27.0360 -11.0091 -11.0091 -10.9403 -10.9403 -10.7627 -10.7627 -10.5458 -10.5458 -10.4563 -10.4563 -10.4323 -10.4323 -10.1482 -10.1482 -10.0789 -10.0789 -3.9140 -3.9140 -3.5624 -3.5624 -0.5880 -0.5880 -0.3458 -0.3458 -0.3230 -0.3230 -0.1876 -0.1876 -0.0890 -0.0890 0.4409 0.4409 1.1716 1.1716 1.3193 1.3193 1.3460 1.3460 1.5248 1.5248 1.5528 1.5528 1.6927 1.6927 1.8539 1.8539 2.0325 2.0325 2.1407 2.1407 2.2574 2.2574 4.7047 4.7047 4.8026 4.8026 4.9988 4.9988 7.6439 7.6439 8.1591 8.1591 8.4859 8.4859 k = 0.3281 0.5000-0.0000 ( 6496 PWs) bands (ev): -27.0585 -27.0585 -27.0360 -27.0360 -11.0088 -11.0088 -10.9363 -10.9363 -10.7708 -10.7708 -10.5450 -10.5450 -10.4575 -10.4575 -10.4330 -10.4330 -10.1438 -10.1438 -10.0754 -10.0754 -3.9181 -3.9181 -3.6031 -3.6031 -0.5997 -0.5997 -0.3502 -0.3502 -0.3243 -0.3243 -0.2061 -0.2061 -0.0121 -0.0121 0.4428 0.4428 1.1719 1.1719 1.3221 1.3221 1.3479 1.3479 1.5268 1.5268 1.5535 1.5535 1.7395 1.7395 1.9028 1.9028 2.0338 2.0338 2.1399 2.1399 2.2592 2.2592 4.6567 4.6567 4.7534 4.7534 4.9275 4.9275 7.6286 7.6286 8.2110 8.2110 8.5153 8.5153 k = 0.3438 0.5000-0.0000 ( 6502 PWs) bands (ev): -27.0585 -27.0585 -27.0360 -27.0360 -11.0085 -11.0085 -10.9323 -10.9323 -10.7786 -10.7786 -10.5443 -10.5443 -10.4587 -10.4587 -10.4336 -10.4336 -10.1399 -10.1399 -10.0720 -10.0720 -3.9232 -3.9232 -3.6392 -3.6392 -0.6108 -0.6108 -0.3565 -0.3565 -0.3231 -0.3231 -0.2234 -0.2234 0.0610 0.0610 0.4447 0.4447 1.1719 1.1719 1.3245 1.3245 1.3493 1.3493 1.5287 1.5287 1.5537 1.5537 1.7840 1.7840 1.9466 1.9466 2.0392 2.0392 2.1397 2.1397 2.2608 2.2608 4.6098 4.6098 4.7077 4.7077 4.8591 4.8591 7.6149 7.6149 8.2618 8.2618 8.5391 8.5391 k = 0.3594 0.5000-0.0000 ( 6498 PWs) bands (ev): -27.0585 -27.0585 -27.0359 -27.0359 -11.0082 -11.0082 -10.9285 -10.9285 -10.7859 -10.7859 -10.5437 -10.5437 -10.4596 -10.4596 -10.4342 -10.4342 -10.1364 -10.1364 -10.0688 -10.0688 -3.9292 -3.9292 -3.6706 -3.6706 -0.6212 -0.6212 -0.3630 -0.3630 -0.3210 -0.3210 -0.2392 -0.2392 0.1296 0.1296 0.4465 0.4465 1.1716 1.1716 1.3267 1.3267 1.3501 1.3501 1.5305 1.5305 1.5537 1.5537 1.8247 1.8247 1.9807 1.9807 2.0531 2.0531 2.1405 2.1405 2.2625 2.2625 4.5645 4.5645 4.6655 4.6655 4.7942 4.7942 7.6028 7.6028 8.3105 8.3105 8.5574 8.5574 k = 0.3750 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0584 -27.0584 -27.0359 -27.0359 -11.0079 -11.0079 -10.9247 -10.9247 -10.7928 -10.7928 -10.5432 -10.5432 -10.4605 -10.4605 -10.4347 -10.4347 -10.1333 -10.1333 -10.0658 -10.0658 -3.9362 -3.9362 -3.6972 -3.6972 -0.6307 -0.6307 -0.3692 -0.3692 -0.3187 -0.3187 -0.2534 -0.2534 0.1930 0.1930 0.4482 0.4482 1.1712 1.1712 1.3285 1.3285 1.3506 1.3506 1.5321 1.5321 1.5535 1.5535 1.8599 1.8599 2.0029 2.0029 2.0774 2.0774 2.1434 2.1434 2.2640 2.2640 4.5215 4.5215 4.6272 4.6272 4.7336 4.7336 7.5922 7.5922 8.3565 8.3565 8.5709 8.5709 k = 0.3906 0.5000-0.0000 ( 6488 PWs) bands (ev): -27.0584 -27.0584 -27.0359 -27.0359 -11.0077 -11.0077 -10.9210 -10.9210 -10.7992 -10.7992 -10.5427 -10.5427 -10.4612 -10.4612 -10.4352 -10.4352 -10.1306 -10.1306 -10.0631 -10.0631 -3.9439 -3.9439 -3.7193 -3.7193 -0.6392 -0.6392 -0.3748 -0.3748 -0.3164 -0.3164 -0.2660 -0.2660 0.2509 0.2509 0.4497 0.4497 1.1705 1.1705 1.3301 1.3301 1.3509 1.3509 1.5336 1.5336 1.5534 1.5534 1.8878 1.8878 2.0189 2.0189 2.1036 2.1036 2.1518 2.1518 2.2654 2.2654 4.4814 4.4814 4.5928 4.5928 4.6778 4.6778 7.5831 7.5831 8.3990 8.3990 8.5803 8.5803 k = 0.4062 0.5000-0.0000 ( 6484 PWs) bands (ev): -27.0584 -27.0584 -27.0358 -27.0358 -11.0075 -11.0075 -10.9176 -10.9176 -10.8050 -10.8050 -10.5424 -10.5424 -10.4619 -10.4619 -10.4356 -10.4356 -10.1283 -10.1283 -10.0606 -10.0606 -3.9520 -3.9520 -3.7371 -3.7371 -0.6468 -0.6468 -0.3797 -0.3797 -0.3144 -0.3144 -0.2768 -0.2768 0.3025 0.3025 0.4511 0.4511 1.1696 1.1696 1.3313 1.3313 1.3510 1.3510 1.5347 1.5347 1.5534 1.5534 1.9074 1.9074 2.0347 2.0347 2.1204 2.1204 2.1707 2.1707 2.2667 2.2667 4.4447 4.4447 4.5627 4.5627 4.6276 4.6276 7.5753 7.5753 8.4374 8.4374 8.5863 8.5863 k = 0.4219 0.5000-0.0000 ( 6490 PWs) bands (ev): -27.0584 -27.0584 -27.0358 -27.0358 -11.0074 -11.0074 -10.9144 -10.9144 -10.8103 -10.8103 -10.5420 -10.5420 -10.4624 -10.4624 -10.4359 -10.4359 -10.1263 -10.1263 -10.0585 -10.0585 -3.9601 -3.9601 -3.7510 -3.7510 -0.6533 -0.6533 -0.3839 -0.3839 -0.3126 -0.3126 -0.2860 -0.2860 0.3475 0.3475 0.4522 0.4522 1.1686 1.1686 1.3323 1.3323 1.3509 1.3509 1.5356 1.5356 1.5534 1.5534 1.9195 1.9195 2.0511 2.0511 2.1288 2.1288 2.1962 2.1962 2.2679 2.2679 4.4122 4.4122 4.5368 4.5368 4.5837 4.5837 7.5688 7.5688 8.4710 8.4710 8.5898 8.5898 k = 0.4375 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0584 -27.0584 -27.0358 -27.0358 -11.0073 -11.0073 -10.9116 -10.9116 -10.8148 -10.8148 -10.5418 -10.5418 -10.4628 -10.4628 -10.4362 -10.4362 -10.1248 -10.1248 -10.0567 -10.0567 -3.9677 -3.9677 -3.7616 -3.7616 -0.6587 -0.6587 -0.3874 -0.3874 -0.3112 -0.3112 -0.2935 -0.2935 0.3853 0.3853 0.4532 0.4532 1.1676 1.1676 1.3330 1.3330 1.3507 1.3507 1.5362 1.5362 1.5535 1.5535 1.9264 1.9264 2.0660 2.0660 2.1351 2.1351 2.2212 2.2212 2.2689 2.2689 4.3846 4.3846 4.5154 4.5154 4.5467 4.5467 7.5636 7.5636 8.4993 8.4993 8.5915 8.5915 k = 0.4531 0.5000-0.0000 ( 6504 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0072 -11.0072 -10.9092 -10.9092 -10.8184 -10.8184 -10.5416 -10.5416 -10.4631 -10.4631 -10.4365 -10.4365 -10.1235 -10.1235 -10.0553 -10.0553 -3.9742 -3.9742 -3.7692 -3.7692 -0.6629 -0.6629 -0.3901 -0.3901 -0.3104 -0.3104 -0.2990 -0.2990 0.4153 0.4153 0.4540 0.4540 1.1666 1.1666 1.3335 1.3335 1.3505 1.3505 1.5366 1.5366 1.5537 1.5537 1.9299 1.9299 2.0776 2.0776 2.1413 2.1413 2.2422 2.2422 2.2698 2.2698 4.3623 4.3623 4.4985 4.4985 4.5173 4.5173 7.5596 7.5596 8.5218 8.5218 8.5920 8.5920 k = 0.4688 0.5000-0.0000 ( 6508 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0071 -11.0071 -10.9074 -10.9074 -10.8212 -10.8212 -10.5415 -10.5415 -10.4633 -10.4633 -10.4366 -10.4366 -10.1227 -10.1227 -10.0542 -10.0542 -3.9792 -3.9792 -3.7743 -3.7743 -0.6660 -0.6660 -0.3921 -0.3921 -0.3103 -0.3103 -0.3024 -0.3024 0.4371 0.4371 0.4546 0.4546 1.1659 1.1659 1.3338 1.3338 1.3503 1.3503 1.5368 1.5368 1.5539 1.5539 1.9317 1.9317 2.0851 2.0851 2.1473 2.1473 2.2579 2.2579 2.2705 2.2705 4.3460 4.3460 4.4859 4.4859 4.4964 4.4964 7.5567 7.5567 8.5381 8.5381 8.5920 8.5920 k = 0.4844 0.5000-0.0000 ( 6504 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0071 -11.0071 -10.9063 -10.9063 -10.8229 -10.8229 -10.5414 -10.5414 -10.4635 -10.4635 -10.4367 -10.4367 -10.1221 -10.1221 -10.0536 -10.0536 -3.9823 -3.9823 -3.7772 -3.7772 -0.6678 -0.6678 -0.3933 -0.3933 -0.3107 -0.3107 -0.3039 -0.3039 0.4503 0.4503 0.4550 0.4550 1.1654 1.1654 1.3340 1.3340 1.3502 1.3502 1.5369 1.5369 1.5541 1.5541 1.9325 1.9325 2.0892 2.0892 2.1517 2.1517 2.2672 2.2672 2.2713 2.2713 4.3361 4.3361 4.4773 4.4773 4.4846 4.4846 7.5550 7.5550 8.5481 8.5481 8.5918 8.5918 k = 0.5000 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0070 -11.0070 -10.9059 -10.9059 -10.8234 -10.8234 -10.5414 -10.5414 -10.4635 -10.4635 -10.4367 -10.4367 -10.1220 -10.1220 -10.0534 -10.0534 -3.9833 -3.9833 -3.7782 -3.7782 -0.6684 -0.6684 -0.3936 -0.3936 -0.3110 -0.3110 -0.3043 -0.3043 0.4541 0.4541 0.4558 0.4558 1.1652 1.1652 1.3340 1.3340 1.3501 1.3501 1.5369 1.5369 1.5541 1.5541 1.9327 1.9327 2.0904 2.0904 2.1533 2.1533 2.2696 2.2696 2.2723 2.2723 4.3327 4.3327 4.4740 4.4740 4.4811 4.4811 7.5545 7.5545 8.5514 8.5514 8.5918 8.5918 k = 0.5000 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0070 -11.0070 -10.9059 -10.9059 -10.8234 -10.8234 -10.5414 -10.5414 -10.4635 -10.4635 -10.4367 -10.4367 -10.1220 -10.1220 -10.0534 -10.0534 -3.9833 -3.9833 -3.7782 -3.7782 -0.6684 -0.6684 -0.3936 -0.3936 -0.3110 -0.3110 -0.3043 -0.3043 0.4541 0.4541 0.4558 0.4558 1.1652 1.1652 1.3340 1.3340 1.3501 1.3501 1.5369 1.5369 1.5541 1.5541 1.9327 1.9327 2.0904 2.0904 2.1533 2.1533 2.2696 2.2696 2.2723 2.2723 4.3327 4.3327 4.4740 4.4740 4.4811 4.4811 7.5545 7.5545 8.5514 8.5514 8.5918 8.5918 k = 0.4891 0.4891-0.0000 ( 6508 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0071 -11.0071 -10.9063 -10.9063 -10.8229 -10.8229 -10.5414 -10.5414 -10.4635 -10.4635 -10.4367 -10.4367 -10.1221 -10.1221 -10.0536 -10.0536 -3.9823 -3.9823 -3.7773 -3.7773 -0.6678 -0.6678 -0.3933 -0.3933 -0.3107 -0.3107 -0.3040 -0.3040 0.4518 0.4518 0.4536 0.4536 1.1654 1.1654 1.3339 1.3339 1.3501 1.3501 1.5369 1.5369 1.5541 1.5541 1.9325 1.9325 2.0892 2.0892 2.1517 2.1517 2.2679 2.2679 2.2707 2.2707 4.3360 4.3360 4.4773 4.4773 4.4843 4.4843 7.5550 7.5550 8.5482 8.5482 8.5918 8.5918 k = 0.4783 0.4783-0.0000 ( 6512 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0071 -11.0071 -10.9073 -10.9073 -10.8213 -10.8213 -10.5415 -10.5415 -10.4633 -10.4633 -10.4366 -10.4366 -10.1227 -10.1227 -10.0542 -10.0542 -3.9792 -3.9792 -3.7745 -3.7745 -0.6660 -0.6660 -0.3921 -0.3921 -0.3098 -0.3098 -0.3029 -0.3029 0.4451 0.4451 0.4471 0.4471 1.1659 1.1659 1.3338 1.3338 1.3502 1.3502 1.5368 1.5368 1.5539 1.5539 1.9318 1.9318 2.0858 2.0858 2.1469 2.1469 2.2621 2.2621 2.2666 2.2666 4.3456 4.3456 4.4872 4.4872 4.4942 4.4942 7.5567 7.5567 8.5385 8.5385 8.5921 8.5921 k = 0.4674 0.4674-0.0000 ( 6506 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0072 -11.0072 -10.9090 -10.9090 -10.8187 -10.8187 -10.5416 -10.5416 -10.4631 -10.4631 -10.4365 -10.4365 -10.1235 -10.1235 -10.0552 -10.0552 -3.9741 -3.9741 -3.7699 -3.7699 -0.6631 -0.6631 -0.3902 -0.3902 -0.3085 -0.3085 -0.3010 -0.3010 0.4339 0.4339 0.4364 0.4364 1.1667 1.1667 1.3335 1.3335 1.3504 1.3504 1.5366 1.5366 1.5536 1.5536 1.9305 1.9305 2.0803 2.0803 2.1390 2.1390 2.2519 2.2519 2.2606 2.2606 4.3616 4.3617 4.5035 4.5035 4.5106 4.5106 7.5594 7.5594 8.5226 8.5226 8.5925 8.5925 k = 0.4565 0.4565-0.0000 ( 6504 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0074 -11.0074 -10.9111 -10.9111 -10.8152 -10.8152 -10.5418 -10.5418 -10.4628 -10.4628 -10.4362 -10.4362 -10.1247 -10.1247 -10.0566 -10.0566 -3.9669 -3.9669 -3.7634 -3.7634 -0.6589 -0.6589 -0.3876 -0.3876 -0.3070 -0.3070 -0.2981 -0.2981 0.4183 0.4183 0.4218 0.4218 1.1677 1.1677 1.3331 1.3331 1.3506 1.3506 1.5364 1.5364 1.5533 1.5533 1.9281 1.9281 2.0731 2.0731 2.1281 2.1281 2.2377 2.2377 2.2526 2.2526 4.3838 4.3838 4.5260 4.5260 4.5335 4.5335 7.5632 7.5632 8.5007 8.5007 8.5931 8.5931 k = 0.4457 0.4457-0.0000 ( 6502 PWs) bands (ev): -27.0584 -27.0584 -27.0358 -27.0358 -11.0077 -11.0077 -10.9134 -10.9134 -10.8111 -10.8111 -10.5420 -10.5420 -10.4625 -10.4625 -10.4360 -10.4360 -10.1263 -10.1263 -10.0583 -10.0583 -3.9576 -3.9576 -3.7551 -3.7551 -0.6536 -0.6536 -0.3842 -0.3842 -0.3053 -0.3053 -0.2940 -0.2940 0.3984 0.3984 0.4031 0.4031 1.1689 1.1689 1.3327 1.3327 1.3508 1.3508 1.5361 1.5361 1.5528 1.5528 1.9243 1.9243 2.0647 2.0647 2.1142 2.1142 2.2200 2.2200 2.2424 2.2424 4.4118 4.4118 4.5545 4.5545 4.5626 4.5626 7.5681 7.5681 8.4731 8.4731 8.5935 8.5935 k = 0.4348 0.4348-0.0000 ( 6502 PWs) bands (ev): -27.0584 -27.0584 -27.0358 -27.0358 -11.0081 -11.0081 -10.9159 -10.9159 -10.8064 -10.8064 -10.5423 -10.5423 -10.4620 -10.4620 -10.4356 -10.4356 -10.1282 -10.1282 -10.0604 -10.0604 -3.9463 -3.9463 -3.7450 -3.7450 -0.6472 -0.6472 -0.3801 -0.3801 -0.3034 -0.3034 -0.2889 -0.2889 0.3745 0.3745 0.3807 0.3807 1.1701 1.1701 1.3320 1.3320 1.3509 1.3509 1.5357 1.5357 1.5523 1.5523 1.9185 1.9185 2.0556 2.0556 2.0975 2.0975 2.1993 2.1993 2.2303 2.2303 4.4453 4.4453 4.5887 4.5887 4.5980 4.5980 7.5741 7.5741 8.4402 8.4402 8.5938 8.5938 k = 0.4239 0.4239-0.0000 ( 6502 PWs) bands (ev): -27.0584 -27.0584 -27.0359 -27.0359 -11.0087 -11.0087 -10.9182 -10.9182 -10.8013 -10.8013 -10.5426 -10.5426 -10.4614 -10.4614 -10.4352 -10.4352 -10.1305 -10.1305 -10.0628 -10.0628 -3.9331 -3.9331 -3.7330 -3.7330 -0.6395 -0.6395 -0.3752 -0.3752 -0.3014 -0.3014 -0.2826 -0.2826 0.3467 0.3467 0.3546 0.3546 1.1714 1.1714 1.3313 1.3313 1.3509 1.3509 1.5351 1.5351 1.5516 1.5516 1.9100 1.9100 2.0462 2.0462 2.0781 2.0781 2.1762 2.1762 2.2163 2.2163 4.4841 4.4841 4.6284 4.6284 4.6391 4.6391 7.5813 7.5813 8.4027 8.4027 8.5937 8.5937 k = 0.4130 0.4130-0.0000 ( 6498 PWs) bands (ev): -27.0584 -27.0584 -27.0359 -27.0359 -11.0097 -11.0097 -10.9203 -10.9203 -10.7957 -10.7957 -10.5430 -10.5430 -10.4608 -10.4608 -10.4348 -10.4348 -10.1332 -10.1332 -10.0655 -10.0655 -3.9178 -3.9178 -3.7192 -3.7192 -0.6308 -0.6308 -0.3696 -0.3696 -0.2991 -0.2991 -0.2752 -0.2752 0.3154 0.3154 0.3250 0.3250 1.1727 1.1727 1.3303 1.3303 1.3507 1.3507 1.5344 1.5344 1.5508 1.5508 1.8984 1.8984 2.0366 2.0366 2.0562 2.0562 2.1517 2.1517 2.2007 2.2007 4.5277 4.5277 4.6733 4.6733 4.6858 4.6858 7.5896 7.5896 8.3611 8.3611 8.5930 8.5930 k = 0.4022 0.4022-0.0000 ( 6500 PWs) bands (ev): -27.0585 -27.0585 -27.0359 -27.0359 -11.0109 -11.0109 -10.9220 -10.9220 -10.7899 -10.7899 -10.5434 -10.5434 -10.4601 -10.4601 -10.4343 -10.4343 -10.1364 -10.1364 -10.0684 -10.0684 -3.9005 -3.9005 -3.7036 -3.7036 -0.6209 -0.6209 -0.3632 -0.3632 -0.2965 -0.2965 -0.2669 -0.2669 0.2807 0.2807 0.2920 0.2920 1.1737 1.1737 1.3292 1.3292 1.3502 1.3502 1.5335 1.5335 1.5499 1.5499 1.8837 1.8837 2.0254 2.0254 2.0326 2.0326 2.1267 2.1267 2.1838 2.1838 4.5759 4.5759 4.7234 4.7234 4.7376 4.7376 7.5990 7.5990 8.3160 8.3160 8.5915 8.5915 k = 0.3913 0.3913-0.0000 ( 6502 PWs) bands (ev): -27.0585 -27.0585 -27.0360 -27.0360 -11.0126 -11.0126 -10.9232 -10.9232 -10.7839 -10.7839 -10.5439 -10.5439 -10.4593 -10.4593 -10.4337 -10.4337 -10.1400 -10.1400 -10.0716 -10.0716 -3.8812 -3.8812 -3.6862 -3.6862 -0.6099 -0.6099 -0.3561 -0.3561 -0.2937 -0.2937 -0.2576 -0.2576 0.2429 0.2429 0.2558 0.2558 1.1747 1.1747 1.3279 1.3279 1.3494 1.3494 1.5324 1.5324 1.5489 1.5489 1.8658 1.8658 2.0035 2.0035 2.0151 2.0151 2.1030 2.1030 2.1660 2.1660 4.6282 4.6282 4.7782 4.7782 4.7942 4.7942 7.6095 7.6095 8.2679 8.2679 8.5889 8.5889 k = 0.3804 0.3804-0.0000 ( 6494 PWs) bands (ev): -27.0585 -27.0585 -27.0360 -27.0360 -11.0146 -11.0146 -10.9238 -10.9238 -10.7777 -10.7777 -10.5444 -10.5444 -10.4584 -10.4584 -10.4331 -10.4331 -10.1440 -10.1440 -10.0749 -10.0749 -3.8600 -3.8600 -3.6670 -3.6670 -0.5979 -0.5979 -0.3483 -0.3483 -0.2905 -0.2905 -0.2472 -0.2472 0.2021 0.2021 0.2167 0.2167 1.1754 1.1754 1.3264 1.3264 1.3482 1.3482 1.5311 1.5311 1.5478 1.5478 1.8452 1.8452 1.9747 1.9747 1.9979 1.9979 2.0820 2.0820 2.1483 2.1483 4.6844 4.6844 4.8377 4.8377 4.8553 4.8553 7.6213 7.6213 8.2175 8.2175 8.5852 8.5852 k = 0.3696 0.3696-0.0000 ( 6504 PWs) bands (ev): -27.0586 -27.0586 -27.0360 -27.0360 -11.0171 -11.0171 -10.9238 -10.9238 -10.7713 -10.7713 -10.5450 -10.5450 -10.4575 -10.4575 -10.4324 -10.4324 -10.1486 -10.1486 -10.0783 -10.0783 -3.8369 -3.8369 -3.6460 -3.6460 -0.5849 -0.5849 -0.3398 -0.3398 -0.2871 -0.2871 -0.2359 -0.2359 0.1587 0.1587 0.1748 0.1748 1.1757 1.1757 1.3246 1.3246 1.3467 1.3467 1.5296 1.5296 1.5465 1.5465 1.8224 1.8224 1.9433 1.9433 1.9757 1.9757 2.0635 2.0635 2.1319 2.1319 4.7441 4.7441 4.9016 4.9016 4.9206 4.9206 7.6342 7.6342 8.1654 8.1654 8.5800 8.5800 k = 0.3587 0.3587-0.0000 ( 6508 PWs) bands (ev): -27.0586 -27.0586 -27.0361 -27.0361 -11.0201 -11.0201 -10.9231 -10.9231 -10.7649 -10.7649 -10.5456 -10.5456 -10.4565 -10.4565 -10.4317 -10.4317 -10.1537 -10.1537 -10.0819 -10.0819 -3.8119 -3.8119 -3.6233 -3.6233 -0.5708 -0.5708 -0.3306 -0.3306 -0.2832 -0.2832 -0.2237 -0.2237 0.1128 0.1128 0.1302 0.1302 1.1758 1.1758 1.3225 1.3225 1.3447 1.3447 1.5279 1.5279 1.5452 1.5452 1.7977 1.7977 1.9097 1.9097 1.9490 1.9490 2.0454 2.0454 2.1186 2.1186 4.8071 4.8071 4.9696 4.9696 4.9897 4.9897 7.6483 7.6483 8.1122 8.1122 8.5733 8.5733 k = 0.3478 0.3478-0.0000 ( 6496 PWs) bands (ev): -27.0587 -27.0587 -27.0361 -27.0361 -11.0234 -11.0234 -10.9217 -10.9217 -10.7583 -10.7583 -10.5463 -10.5463 -10.4554 -10.4554 -10.4310 -10.4310 -10.1594 -10.1594 -10.0855 -10.0855 -3.7850 -3.7850 -3.5988 -3.5988 -0.5558 -0.5558 -0.3208 -0.3208 -0.2789 -0.2789 -0.2105 -0.2105 0.0646 0.0646 0.0831 0.0831 1.1755 1.1755 1.3201 1.3201 1.3424 1.3424 1.5259 1.5259 1.5437 1.5437 1.7717 1.7717 1.8744 1.8744 1.9192 1.9192 2.0248 2.0248 2.1097 2.1097 4.8730 4.8730 5.0415 5.0415 5.0624 5.0624 7.6635 7.6635 8.0583 8.0583 8.5649 8.5649 k = 0.3370 0.3370-0.0000 ( 6508 PWs) bands (ev): -27.0587 -27.0587 -27.0361 -27.0361 -11.0272 -11.0272 -10.9196 -10.9196 -10.7517 -10.7517 -10.5470 -10.5470 -10.4542 -10.4542 -10.4302 -10.4302 -10.1655 -10.1655 -10.0892 -10.0892 -3.7563 -3.7563 -3.5726 -3.5726 -0.5401 -0.5401 -0.3106 -0.3106 -0.2742 -0.2742 -0.1964 -0.1964 0.0146 0.0146 0.0339 0.0339 1.1749 1.1749 1.3172 1.3172 1.3395 1.3395 1.5237 1.5237 1.5421 1.5421 1.7447 1.7447 1.8376 1.8376 1.8875 1.8875 2.0008 2.0008 2.1047 2.1047 4.9416 4.9416 5.1172 5.1172 5.1384 5.1384 7.6800 7.6800 8.0042 8.0042 8.5549 8.5549 k = 0.3261 0.3261-0.0000 ( 6506 PWs) bands (ev): -27.0588 -27.0588 -27.0362 -27.0362 -11.0312 -11.0312 -10.9169 -10.9169 -10.7451 -10.7451 -10.5478 -10.5478 -10.4530 -10.4530 -10.4294 -10.4294 -10.1722 -10.1722 -10.0929 -10.0929 -3.7257 -3.7257 -3.5447 -3.5447 -0.5237 -0.5237 -0.3000 -0.3000 -0.2687 -0.2687 -0.1816 -0.1816 -0.0369 -0.0369 -0.0175 -0.0175 1.1738 1.1738 1.3138 1.3138 1.3364 1.3364 1.5212 1.5212 1.5404 1.5404 1.7169 1.7169 1.7997 1.7997 1.8548 1.8548 1.9737 1.9737 2.1027 2.1027 5.0125 5.0125 5.1963 5.1963 5.2175 5.2175 7.6977 7.6977 7.9504 7.9504 8.5432 8.5432 k = 0.3152 0.3152-0.0000 ( 6494 PWs) bands (ev): -27.0588 -27.0588 -27.0362 -27.0362 -11.0355 -11.0355 -10.9136 -10.9136 -10.7384 -10.7384 -10.5486 -10.5486 -10.4517 -10.4517 -10.4285 -10.4285 -10.1795 -10.1795 -10.0965 -10.0965 -3.6933 -3.6933 -3.5150 -3.5150 -0.5069 -0.5069 -0.2895 -0.2895 -0.2623 -0.2623 -0.1666 -0.1666 -0.0891 -0.0891 -0.0705 -0.0705 1.1722 1.1722 1.3098 1.3098 1.3329 1.3329 1.5184 1.5184 1.5386 1.5386 1.6886 1.6886 1.7610 1.7610 1.8214 1.8214 1.9443 1.9443 2.1026 2.1026 5.0857 5.0857 5.2787 5.2787 5.2992 5.2992 7.7165 7.7165 7.8973 7.8973 8.5299 8.5299 k = 0.3043 0.3043-0.0000 ( 6500 PWs) bands (ev): -27.0589 -27.0589 -27.0363 -27.0363 -11.0401 -11.0401 -10.9097 -10.9097 -10.7317 -10.7317 -10.5494 -10.5494 -10.4504 -10.4504 -10.4277 -10.4277 -10.1872 -10.1872 -10.1001 -10.1001 -3.6592 -3.6592 -3.4837 -3.4837 -0.4904 -0.4904 -0.2798 -0.2798 -0.2545 -0.2545 -0.1595 -0.1595 -0.1349 -0.1349 -0.1233 -0.1233 1.1702 1.1702 1.3050 1.3050 1.3291 1.3291 1.5151 1.5151 1.5365 1.5365 1.6601 1.6601 1.7221 1.7221 1.7876 1.7876 1.9130 1.9130 2.1035 2.1035 5.1608 5.1608 5.3642 5.3642 5.3835 5.3835 7.7366 7.7366 7.8452 7.8452 8.5151 8.5151 k = 0.2935 0.2935-0.0000 ( 6492 PWs) bands (ev): -27.0589 -27.0589 -27.0363 -27.0363 -11.0448 -11.0448 -10.9052 -10.9052 -10.7251 -10.7251 -10.5504 -10.5504 -10.4490 -10.4490 -10.4268 -10.4268 -10.1955 -10.1955 -10.1037 -10.1037 -3.6234 -3.6234 -3.4507 -3.4507 -0.4751 -0.4751 -0.2715 -0.2715 -0.2455 -0.2455 -0.2010 -0.2010 -0.1811 -0.1811 -0.1259 -0.1259 1.1675 1.1675 1.2995 1.2995 1.3252 1.3252 1.5111 1.5111 1.5342 1.5342 1.6318 1.6318 1.6834 1.6834 1.7537 1.7537 1.8802 1.8802 2.1052 2.1052 5.2376 5.2376 5.4525 5.4525 5.4700 5.4700 7.7573 7.7573 7.7950 7.7950 8.4989 8.4989 k = 0.2826 0.2826-0.0000 ( 6492 PWs) bands (ev): -27.0590 -27.0590 -27.0363 -27.0363 -11.0497 -11.0497 -10.9003 -10.9003 -10.7184 -10.7184 -10.5513 -10.5513 -10.4476 -10.4476 -10.4259 -10.4259 -10.2042 -10.2042 -10.1072 -10.1072 -3.5859 -3.5859 -3.4161 -3.4161 -0.4636 -0.4636 -0.2677 -0.2677 -0.2551 -0.2551 -0.2411 -0.2411 -0.2223 -0.2223 -0.1085 -0.1085 1.1641 1.1641 1.2932 1.2932 1.3209 1.3209 1.5055 1.5055 1.5314 1.5314 1.6043 1.6043 1.6454 1.6454 1.7198 1.7198 1.8461 1.8461 2.1072 2.1072 5.3159 5.3159 5.5435 5.5435 5.5586 5.5586 7.7438 7.7438 7.7818 7.7818 8.4816 8.4816 k = 0.2717 0.2717-0.0000 ( 6494 PWs) bands (ev): -27.0591 -27.0591 -27.0364 -27.0364 -11.0546 -11.0546 -10.8948 -10.8948 -10.7119 -10.7119 -10.5524 -10.5524 -10.4461 -10.4461 -10.4249 -10.4249 -10.2134 -10.2134 -10.1107 -10.1107 -3.5468 -3.5468 -3.3798 -3.3798 -0.4616 -0.4616 -0.3102 -0.3102 -0.2895 -0.2895 -0.2509 -0.2509 -0.2151 -0.2151 -0.0891 -0.0891 1.1600 1.1600 1.2861 1.2861 1.3164 1.3164 1.4971 1.4971 1.5280 1.5280 1.5789 1.5789 1.6087 1.6087 1.6863 1.6863 1.8110 1.8110 2.1094 2.1094 5.3954 5.3954 5.6368 5.6368 5.6489 5.6489 7.6971 7.6971 7.8050 7.8050 8.4634 8.4634 k = 0.2609 0.2609-0.0000 ( 6494 PWs) bands (ev): -27.0591 -27.0591 -27.0364 -27.0364 -11.0596 -11.0596 -10.8889 -10.8889 -10.7054 -10.7054 -10.5535 -10.5535 -10.4446 -10.4446 -10.4240 -10.4240 -10.2230 -10.2230 -10.1141 -10.1141 -3.5060 -3.5060 -3.3420 -3.3420 -0.4784 -0.4784 -0.3700 -0.3700 -0.3109 -0.3109 -0.2459 -0.2459 -0.2006 -0.2006 -0.0685 -0.0685 1.1550 1.1550 1.2782 1.2782 1.3113 1.3113 1.4833 1.4833 1.5237 1.5237 1.5568 1.5568 1.5752 1.5752 1.6533 1.6533 1.7750 1.7750 2.1117 2.1117 5.4760 5.4760 5.7324 5.7324 5.7407 5.7407 7.6519 7.6519 7.8298 7.8298 8.4444 8.4444 k = 0.2500 0.2500-0.0000 ( 6494 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0645 -11.0645 -10.8826 -10.8826 -10.6989 -10.6989 -10.5546 -10.5546 -10.4431 -10.4431 -10.4231 -10.4231 -10.2329 -10.2329 -10.1175 -10.1175 -3.4637 -3.4637 -3.3026 -3.3026 -0.5170 -0.5170 -0.4322 -0.4322 -0.3117 -0.3117 -0.2397 -0.2397 -0.1844 -0.1844 -0.0470 -0.0470 1.1491 1.1491 1.2698 1.2698 1.3056 1.3056 1.4622 1.4622 1.5184 1.5184 1.5323 1.5323 1.5529 1.5529 1.6213 1.6213 1.7384 1.7384 2.1139 2.1139 5.5573 5.5573 5.8296 5.8296 5.8339 5.8339 7.6091 7.6091 7.8559 7.8559 8.4249 8.4249 k = 0.2391 0.2391-0.0000 ( 6500 PWs) bands (ev): -27.0593 -27.0593 -27.0365 -27.0365 -11.0695 -11.0695 -10.8759 -10.8759 -10.6926 -10.6926 -10.5559 -10.5559 -10.4415 -10.4415 -10.4221 -10.4221 -10.2432 -10.2432 -10.1208 -10.1208 -3.4199 -3.4199 -3.2616 -3.2616 -0.5695 -0.5695 -0.4961 -0.4961 -0.2988 -0.2988 -0.2332 -0.2332 -0.1672 -0.1672 -0.0246 -0.0246 1.1421 1.1421 1.2607 1.2607 1.2990 1.2990 1.4351 1.4351 1.4999 1.4999 1.5147 1.5147 1.5430 1.5430 1.5910 1.5910 1.7014 1.7014 2.1161 2.1161 5.6391 5.6391 5.9262 5.9262 5.9302 5.9302 7.5688 7.5688 7.8832 7.8832 8.4051 8.4051 k = 0.2283 0.2283-0.0000 ( 6506 PWs) bands (ev): -27.0593 -27.0593 -27.0366 -27.0366 -11.0744 -11.0744 -10.8687 -10.8687 -10.6863 -10.6863 -10.5572 -10.5572 -10.4400 -10.4400 -10.4212 -10.4212 -10.2538 -10.2538 -10.1241 -10.1241 -3.3746 -3.3746 -3.2191 -3.2191 -0.6290 -0.6290 -0.5611 -0.5611 -0.2793 -0.2793 -0.2264 -0.2264 -0.1491 -0.1491 -0.0014 -0.0014 1.1338 1.1338 1.2509 1.2509 1.2909 1.2909 1.4046 1.4046 1.4698 1.4698 1.5075 1.5075 1.5371 1.5371 1.5640 1.5640 1.6642 1.6642 2.1182 2.1182 5.7211 5.7211 6.0208 6.0208 6.0304 6.0304 7.5315 7.5315 7.9116 7.9116 8.3850 8.3850 k = 0.2174 0.2174-0.0000 ( 6518 PWs) bands (ev): -27.0594 -27.0594 -27.0366 -27.0366 -11.0792 -11.0792 -10.8612 -10.8612 -10.6802 -10.6802 -10.5586 -10.5586 -10.4384 -10.4384 -10.4203 -10.4203 -10.2646 -10.2646 -10.1273 -10.1273 -3.3278 -3.3278 -3.1752 -3.1752 -0.6922 -0.6922 -0.6271 -0.6271 -0.2562 -0.2562 -0.2194 -0.2194 -0.1302 -0.1302 0.0227 0.0227 1.1243 1.1243 1.2404 1.2404 1.2810 1.2810 1.3730 1.3730 1.4407 1.4407 1.4968 1.4968 1.5315 1.5315 1.5439 1.5439 1.6271 1.6271 2.1201 2.1201 5.8032 5.8032 6.1151 6.1151 6.1319 6.1319 7.4973 7.4973 7.9411 7.9411 8.3645 8.3645 k = 0.2065 0.2065-0.0000 ( 6516 PWs) bands (ev): -27.0595 -27.0595 -27.0367 -27.0367 -11.0840 -11.0840 -10.8534 -10.8534 -10.6742 -10.6742 -10.5601 -10.5601 -10.4369 -10.4369 -10.4194 -10.4194 -10.2756 -10.2756 -10.1304 -10.1304 -3.2797 -3.2797 -3.1297 -3.1297 -0.7576 -0.7576 -0.6941 -0.6941 -0.2315 -0.2315 -0.2117 -0.2117 -0.1106 -0.1106 0.0476 0.0476 1.1135 1.1135 1.2288 1.2288 1.2688 1.2688 1.3413 1.3413 1.4137 1.4137 1.4797 1.4797 1.5234 1.5234 1.5348 1.5348 1.5910 1.5910 2.1219 2.1219 5.8849 5.8849 6.2089 6.2089 6.2342 6.2342 7.4667 7.4667 7.9717 7.9717 8.3414 8.3414 k = 0.1957 0.1957-0.0000 ( 6520 PWs) bands (ev): -27.0595 -27.0595 -27.0367 -27.0367 -11.0886 -11.0886 -10.8452 -10.8452 -10.6684 -10.6684 -10.5617 -10.5617 -10.4354 -10.4354 -10.4185 -10.4185 -10.2867 -10.2867 -10.1335 -10.1335 -3.2302 -3.2302 -3.0828 -3.0828 -0.8246 -0.8246 -0.7618 -0.7618 -0.2103 -0.2103 -0.1989 -0.1989 -0.0903 -0.0903 0.0733 0.0733 1.1012 1.1012 1.2157 1.2157 1.2540 1.2540 1.3101 1.3101 1.3892 1.3892 1.4584 1.4584 1.5148 1.5148 1.5301 1.5301 1.5582 1.5582 2.1235 2.1235 5.9660 5.9660 6.3014 6.3014 6.3367 6.3367 7.4402 7.4402 8.0032 8.0032 8.3135 8.3135 k = 0.1848 0.1848-0.0000 ( 6502 PWs) bands (ev): -27.0596 -27.0596 -27.0368 -27.0368 -11.0931 -11.0931 -10.8367 -10.8367 -10.6627 -10.6627 -10.5633 -10.5633 -10.4339 -10.4339 -10.4176 -10.4176 -10.2979 -10.2979 -10.1365 -10.1365 -3.1794 -3.1794 -3.0345 -3.0345 -0.8925 -0.8925 -0.8301 -0.8301 -0.2005 -0.2005 -0.1735 -0.1735 -0.0695 -0.0695 0.0997 0.0997 1.0874 1.0874 1.2001 1.2001 1.2373 1.2373 1.2795 1.2795 1.3676 1.3676 1.4366 1.4366 1.4993 1.4993 1.5242 1.5242 1.5378 1.5378 2.1250 2.1250 6.0461 6.0461 6.3919 6.3919 6.4389 6.4389 7.4185 7.4185 8.0355 8.0355 8.2881 8.2881 k = 0.1739 0.1739-0.0000 ( 6500 PWs) bands (ev): -27.0596 -27.0596 -27.0368 -27.0368 -11.0974 -11.0974 -10.8279 -10.8279 -10.6572 -10.6572 -10.5651 -10.5651 -10.4325 -10.4325 -10.4168 -10.4168 -10.3091 -10.3091 -10.1394 -10.1394 -3.1274 -3.1274 -2.9849 -2.9849 -0.9613 -0.9613 -0.8991 -0.8991 -0.1929 -0.1929 -0.1450 -0.1450 -0.0482 -0.0482 0.1268 0.1268 1.0722 1.0722 1.1814 1.1814 1.2197 1.2197 1.2493 1.2493 1.3483 1.3483 1.4160 1.4160 1.4717 1.4717 1.5190 1.5190 1.5318 1.5318 2.1263 2.1263 6.1250 6.1250 6.4793 6.4793 6.5402 6.5402 7.4023 7.4023 8.0687 8.0687 8.2674 8.2674 k = 0.1630 0.1630-0.0000 ( 6508 PWs) bands (ev): -27.0597 -27.0597 -27.0369 -27.0369 -11.1015 -11.1015 -10.8189 -10.8189 -10.6520 -10.6520 -10.5670 -10.5670 -10.4313 -10.4313 -10.4160 -10.4160 -10.3202 -10.3202 -10.1422 -10.1422 -3.0742 -3.0742 -2.9340 -2.9340 -1.0307 -1.0307 -0.9685 -0.9685 -0.1855 -0.1855 -0.1156 -0.1156 -0.0264 -0.0264 0.1546 0.1546 1.0555 1.0555 1.1594 1.1594 1.2014 1.2014 1.2199 1.2199 1.3301 1.3301 1.3969 1.3969 1.4419 1.4419 1.5161 1.5161 1.5293 1.5293 2.1274 2.1274 6.2022 6.2022 6.5621 6.5621 6.6397 6.6397 7.3928 7.3928 8.1024 8.1024 8.2522 8.2522 k = 0.1522 0.1522-0.0000 ( 6510 PWs) bands (ev): -27.0597 -27.0597 -27.0369 -27.0369 -11.1055 -11.1055 -10.8096 -10.8096 -10.6469 -10.6469 -10.5691 -10.5691 -10.4303 -10.4303 -10.4152 -10.4152 -10.3310 -10.3310 -10.1449 -10.1449 -3.0199 -3.0199 -2.8817 -2.8817 -1.1004 -1.1004 -1.0382 -1.0382 -0.1784 -0.1784 -0.0856 -0.0856 -0.0042 -0.0042 0.1829 0.1829 1.0374 1.0374 1.1351 1.1351 1.1790 1.1790 1.1949 1.1949 1.3112 1.3112 1.3795 1.3795 1.4154 1.4154 1.5142 1.5142 1.5276 1.5276 2.1284 2.1284 6.2773 6.2773 6.6387 6.6387 6.7366 6.7366 7.3915 7.3915 8.1366 8.1366 8.2429 8.2429 k = 0.1413 0.1413-0.0000 ( 6506 PWs) bands (ev): -27.0598 -27.0598 -27.0369 -27.0369 -11.1092 -11.1092 -10.8002 -10.8002 -10.6421 -10.6421 -10.5712 -10.5712 -10.4295 -10.4295 -10.4145 -10.4145 -10.3416 -10.3416 -10.1474 -10.1474 -2.9646 -2.9646 -2.8282 -2.8282 -1.1703 -1.1703 -1.1082 -1.1082 -0.1713 -0.1713 -0.0553 -0.0553 0.0181 0.0181 0.2118 0.2118 1.0182 1.0182 1.1093 1.1093 1.1509 1.1509 1.1756 1.1756 1.2901 1.2901 1.3634 1.3634 1.3945 1.3945 1.5128 1.5128 1.5263 1.5263 2.1293 2.1293 6.3499 6.3499 6.7070 6.7070 6.8299 6.8299 7.4000 7.4000 8.1706 8.1706 8.2376 8.2376 k = 0.1304 0.1304-0.0000 ( 6504 PWs) bands (ev): -27.0598 -27.0598 -27.0370 -27.0370 -11.1128 -11.1128 -10.7905 -10.7905 -10.6377 -10.6377 -10.5735 -10.5735 -10.4290 -10.4290 -10.4138 -10.4138 -10.3516 -10.3516 -10.1499 -10.1499 -2.9083 -2.9083 -2.7735 -2.7735 -1.2404 -1.2404 -1.1784 -1.1784 -0.1643 -0.1643 -0.0249 -0.0249 0.0406 0.0406 0.2411 0.2411 0.9981 0.9981 1.0827 1.0827 1.1214 1.1214 1.1579 1.1579 1.2661 1.2661 1.3489 1.3489 1.3794 1.3794 1.5118 1.5118 1.5252 1.5252 2.1301 2.1301 6.4196 6.4196 6.7650 6.7650 6.9184 6.9184 7.4199 7.4199 8.2020 8.2020 8.2297 8.2297 k = 0.1196 0.1196-0.0000 ( 6498 PWs) bands (ev): -27.0599 -27.0599 -27.0370 -27.0370 -11.1161 -11.1161 -10.7808 -10.7808 -10.6336 -10.6336 -10.5758 -10.5758 -10.4290 -10.4290 -10.4131 -10.4131 -10.3610 -10.3610 -10.1522 -10.1522 -2.8511 -2.8511 -2.7176 -2.7176 -1.3103 -1.3103 -1.2487 -1.2487 -0.1576 -0.1576 0.0054 0.0054 0.0631 0.0631 0.2708 0.2708 0.9774 0.9774 1.0551 1.0551 1.0926 1.0926 1.1397 1.1397 1.2404 1.2404 1.3369 1.3369 1.3688 1.3688 1.5110 1.5110 1.5243 1.5243 2.1308 2.1308 6.4860 6.4860 6.8116 6.8116 7.0009 7.0009 7.4518 7.4518 8.2085 8.2085 8.2447 8.2447 k = 0.1087 0.1087-0.0000 ( 6494 PWs) bands (ev): -27.0599 -27.0599 -27.0370 -27.0370 -11.1191 -11.1191 -10.7710 -10.7710 -10.6299 -10.6299 -10.5783 -10.5783 -10.4295 -10.4295 -10.4125 -10.4125 -10.3695 -10.3695 -10.1544 -10.1544 -2.7933 -2.7933 -2.6607 -2.6607 -1.3800 -1.3800 -1.3189 -1.3189 -0.1511 -0.1511 0.0354 0.0354 0.0854 0.0854 0.3007 0.3007 0.9564 0.9564 1.0269 1.0269 1.0652 1.0652 1.1201 1.1201 1.2150 1.2150 1.3272 1.3272 1.3610 1.3610 1.5103 1.5103 1.5235 1.5235 2.1314 2.1314 6.5486 6.5486 6.8466 6.8466 7.0760 7.0760 7.4952 7.4952 8.1986 8.1986 8.2761 8.2761 k = 0.0978 0.0978-0.0000 ( 6483 PWs) bands (ev): -27.0599 -27.0599 -27.0370 -27.0370 -11.1219 -11.1219 -10.7612 -10.7612 -10.6267 -10.6267 -10.5807 -10.5807 -10.4309 -10.4309 -10.4120 -10.4120 -10.3768 -10.3768 -10.1564 -10.1564 -2.7348 -2.7348 -2.6027 -2.6027 -1.4492 -1.4492 -1.3890 -1.3890 -0.1449 -0.1449 0.0647 0.0647 0.1073 0.1073 0.3307 0.3307 0.9357 0.9357 0.9982 0.9982 1.0398 1.0398 1.0986 1.0986 1.1917 1.1917 1.3195 1.3195 1.3551 1.3551 1.5098 1.5098 1.5228 1.5228 2.1319 2.1319 6.6070 6.6070 6.8712 6.8712 7.1429 7.1429 7.5481 7.5481 8.1885 8.1885 8.3093 8.3093 k = 0.0870 0.0870-0.0000 ( 6485 PWs) bands (ev): -27.0599 -27.0599 -27.0371 -27.0371 -11.1244 -11.1244 -10.7515 -10.7515 -10.6241 -10.6241 -10.5831 -10.5831 -10.4331 -10.4331 -10.4115 -10.4115 -10.3828 -10.3828 -10.1583 -10.1583 -2.6760 -2.6760 -2.5439 -2.5439 -1.5178 -1.5178 -1.4588 -1.4588 -0.1392 -0.1392 0.0931 0.0931 0.1285 0.1285 0.3606 0.3606 0.9155 0.9155 0.9695 0.9695 1.0161 1.0161 1.0750 1.0750 1.1718 1.1718 1.3133 1.3133 1.3505 1.3505 1.5094 1.5094 1.5222 1.5222 2.1323 2.1323 6.6607 6.6607 6.8877 6.8877 7.2007 7.2007 7.6076 7.6076 8.1796 8.1796 8.3428 8.3428 k = 0.0761 0.0761-0.0000 ( 6471 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1267 -11.1267 -10.7420 -10.7420 -10.6223 -10.6223 -10.5852 -10.5852 -10.4361 -10.4361 -10.4110 -10.4110 -10.3873 -10.3873 -10.1600 -10.1600 -2.6171 -2.6171 -2.4842 -2.4842 -1.5854 -1.5854 -1.5282 -1.5282 -0.1338 -0.1338 0.1202 0.1202 0.1488 0.1488 0.3900 0.3900 0.8961 0.8961 0.9415 0.9415 0.9944 0.9944 1.0498 1.0498 1.1556 1.1556 1.3084 1.3084 1.3469 1.3469 1.5091 1.5091 1.5217 1.5217 2.1327 2.1327 6.7093 6.7093 6.8980 6.8980 7.2493 7.2493 7.6702 7.6702 8.1723 8.1723 8.3746 8.3746 k = 0.0652 0.0652-0.0000 ( 6473 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1286 -11.1286 -10.7328 -10.7328 -10.6215 -10.6215 -10.5870 -10.5870 -10.4398 -10.4398 -10.4106 -10.4106 -10.3906 -10.3906 -10.1614 -10.1614 -2.5585 -2.5585 -2.4239 -2.4239 -1.6515 -1.6515 -1.5970 -1.5970 -0.1290 -0.1290 0.1456 0.1456 0.1678 0.1678 0.4187 0.4187 0.8779 0.8779 0.9147 0.9147 0.9746 0.9746 1.0243 1.0243 1.1426 1.1426 1.3044 1.3044 1.3440 1.3440 1.5088 1.5088 1.5213 1.5213 2.1330 2.1330 6.7524 6.7524 6.9042 6.9042 7.2890 7.2890 7.7327 7.7327 8.1667 8.1667 8.4040 8.4040 k = 0.0543 0.0543-0.0000 ( 6473 PWs) bands (ev): -27.0600 -27.0600 -27.0371 -27.0371 -11.1303 -11.1303 -10.7241 -10.7241 -10.6217 -10.6217 -10.5882 -10.5882 -10.4438 -10.4438 -10.4102 -10.4102 -10.3928 -10.3928 -10.1627 -10.1627 -2.5009 -2.5009 -2.3632 -2.3632 -1.7156 -1.7156 -1.6648 -1.6648 -0.1248 -0.1248 0.1686 0.1686 0.1850 0.1850 0.4460 0.4460 0.8612 0.8612 0.8897 0.8897 0.9568 0.9568 1.0000 1.0000 1.1325 1.1325 1.3013 1.3013 1.3417 1.3417 1.5085 1.5085 1.5209 1.5209 2.1333 2.1333 6.7895 6.7895 6.9075 6.9075 7.3203 7.3203 7.7918 7.7918 8.1632 8.1632 8.4305 8.4305 k = 0.0435 0.0435-0.0000 ( 6477 PWs) bands (ev): -27.0601 -27.0601 -27.0371 -27.0371 -11.1317 -11.1317 -10.7161 -10.7161 -10.6228 -10.6228 -10.5889 -10.5889 -10.4476 -10.4476 -10.4099 -10.4099 -10.3942 -10.3942 -10.1638 -10.1638 -2.4453 -2.4453 -2.3027 -2.3027 -1.7764 -1.7764 -1.7313 -1.7313 -0.1213 -0.1213 0.1888 0.1888 0.2001 0.2001 0.4713 0.4713 0.8464 0.8464 0.8671 0.8671 0.9409 0.9409 0.9784 0.9784 1.1246 1.1246 1.2990 1.2990 1.3399 1.3399 1.5084 1.5084 1.5206 1.5206 2.1334 2.1334 6.8205 6.8205 6.9092 6.9092 7.3443 7.3443 7.8445 7.8445 8.1618 8.1618 8.4534 8.4534 k = 0.0326 0.0326-0.0000 ( 6469 PWs) bands (ev): -27.0601 -27.0601 -27.0371 -27.0371 -11.1327 -11.1327 -10.7092 -10.7092 -10.6246 -10.6246 -10.5892 -10.5892 -10.4509 -10.4509 -10.4097 -10.4097 -10.3950 -10.3950 -10.1646 -10.1646 -2.3937 -2.3937 -2.2431 -2.2431 -1.8322 -1.8322 -1.7955 -1.7955 -0.1184 -0.1184 0.2054 0.2054 0.2127 0.2127 0.4934 0.4934 0.8341 0.8341 0.8479 0.8479 0.9271 0.9271 0.9611 0.9611 1.1188 1.1188 1.2972 1.2972 1.3386 1.3386 1.5083 1.5083 1.5204 1.5204 2.1336 2.1336 6.8448 6.8448 6.9099 6.9099 7.3618 7.3618 7.8879 7.8879 8.1626 8.1626 8.4719 8.4719 k = 0.0217 0.0217-0.0000 ( 6487 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1335 -11.1335 -10.7037 -10.7037 -10.6265 -10.6265 -10.5892 -10.5892 -10.4535 -10.4535 -10.4096 -10.4096 -10.3955 -10.3955 -10.1652 -10.1652 -2.3492 -2.3492 -2.1869 -2.1869 -1.8796 -1.8796 -1.8551 -1.8551 -0.1164 -0.1164 0.2176 0.2176 0.2222 0.2222 0.5111 0.5111 0.8242 0.8242 0.8333 0.8333 0.9159 0.9159 0.9486 0.9486 1.1147 1.1147 1.2959 1.2959 1.3377 1.3377 1.5081 1.5081 1.5202 1.5202 2.1337 2.1337 6.8624 6.8624 6.9100 6.9100 7.3736 7.3736 7.9198 7.9198 8.1648 8.1648 8.4850 8.4850 k = 0.0109 0.0109-0.0000 ( 6491 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1340 -11.1340 -10.7001 -10.7001 -10.6280 -10.6280 -10.5892 -10.5892 -10.4551 -10.4551 -10.4095 -10.4095 -10.3958 -10.3958 -10.1656 -10.1656 -2.3175 -2.3175 -2.1400 -2.1400 -1.9131 -1.9131 -1.9039 -1.9039 -0.1151 -0.1151 0.2250 0.2250 0.2284 0.2284 0.5227 0.5227 0.8173 0.8173 0.8246 0.8246 0.9084 0.9084 0.9414 0.9414 1.1123 1.1123 1.2952 1.2952 1.3371 1.3371 1.5081 1.5081 1.5201 1.5201 2.1337 2.1337 6.8731 6.8731 6.9100 6.9100 7.3805 7.3805 7.9391 7.9391 8.1672 8.1672 8.4917 8.4917 k = 0.0000 0.0000 0.0000 ( 6515 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1341 -11.1341 -10.6988 -10.6988 -10.6286 -10.6286 -10.5892 -10.5892 -10.4557 -10.4557 -10.4095 -10.4095 -10.3959 -10.3959 -10.1657 -10.1657 -2.3058 -2.3058 -2.1193 -2.1193 -1.9263 -1.9263 -1.9246 -1.9246 -0.1147 -0.1147 0.2274 0.2274 0.2306 0.2306 0.5267 0.5267 0.8146 0.8146 0.8218 0.8218 0.9057 0.9057 0.9389 0.9389 1.1115 1.1115 1.2949 1.2949 1.3369 1.3369 1.5080 1.5080 1.5200 1.5200 2.1337 2.1337 6.8766 6.8766 6.9099 6.9099 7.3827 7.3827 7.9455 7.9455 8.1682 8.1682 8.4932 8.4932 k = 0.0000 0.0000 0.0000 ( 6515 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1341 -11.1341 -10.6988 -10.6988 -10.6286 -10.6286 -10.5892 -10.5892 -10.4557 -10.4557 -10.4095 -10.4095 -10.3959 -10.3959 -10.1657 -10.1657 -2.3058 -2.3058 -2.1193 -2.1193 -1.9263 -1.9263 -1.9246 -1.9246 -0.1147 -0.1147 0.2274 0.2274 0.2306 0.2306 0.5267 0.5267 0.8146 0.8146 0.8218 0.8218 0.9057 0.9057 0.9389 0.9389 1.1115 1.1115 1.2949 1.2949 1.3369 1.3369 1.5080 1.5080 1.5200 1.5200 2.1337 2.1337 6.8766 6.8766 6.9099 6.9099 7.3827 7.3827 7.9455 7.9455 8.1682 8.1682 8.4932 8.4932 k = 0.0000 0.0000 0.0156 ( 6487 PWs) bands (ev): -27.0601 -27.0601 -27.0372 -27.0372 -11.1337 -11.1337 -10.6998 -10.6998 -10.6286 -10.6286 -10.5892 -10.5892 -10.4556 -10.4556 -10.4095 -10.4095 -10.3951 -10.3951 -10.1659 -10.1659 -2.3055 -2.3055 -2.1196 -2.1196 -1.9263 -1.9263 -1.9246 -1.9246 -0.1142 -0.1142 0.2274 0.2274 0.2306 0.2306 0.5242 0.5242 0.8152 0.8152 0.8219 0.8219 0.9059 0.9059 0.9391 0.9391 1.1140 1.1140 1.2951 1.2951 1.3369 1.3369 1.5081 1.5081 1.5200 1.5200 2.1326 2.1326 6.8776 6.8776 6.9120 6.9120 7.3846 7.3846 7.9464 7.9464 8.1673 8.1673 8.4914 8.4914 k = 0.0000 0.0000 0.0312 ( 6503 PWs) bands (ev): -27.0600 -27.0600 -27.0373 -27.0373 -11.1323 -11.1323 -10.7027 -10.7027 -10.6287 -10.6287 -10.5894 -10.5894 -10.4554 -10.4554 -10.4097 -10.4097 -10.3928 -10.3928 -10.1664 -10.1664 -2.3048 -2.3048 -2.1205 -2.1205 -1.9263 -1.9263 -1.9246 -1.9246 -0.1127 -0.1127 0.2274 0.2274 0.2306 0.2306 0.5167 0.5167 0.8166 0.8166 0.8220 0.8220 0.9061 0.9061 0.9392 0.9392 1.1212 1.1212 1.2953 1.2953 1.3368 1.3368 1.5082 1.5082 1.5199 1.5199 2.1292 2.1292 6.8806 6.8806 6.9180 6.9180 7.3900 7.3900 7.9488 7.9488 8.1643 8.1643 8.4861 8.4861 k = 0.0000 0.0000 0.0468 ( 6515 PWs) bands (ev): -27.0598 -27.0598 -27.0375 -27.0375 -11.1300 -11.1300 -10.7076 -10.7076 -10.6288 -10.6288 -10.5897 -10.5897 -10.4551 -10.4551 -10.4100 -10.4100 -10.3891 -10.3891 -10.1673 -10.1673 -2.3037 -2.3037 -2.1220 -2.1220 -1.9263 -1.9263 -1.9246 -1.9246 -0.1102 -0.1102 0.2274 0.2274 0.2305 0.2305 0.5048 0.5048 0.8188 0.8188 0.8221 0.8221 0.9064 0.9064 0.9394 0.9394 1.1330 1.1330 1.2957 1.2957 1.3366 1.3366 1.5083 1.5083 1.5198 1.5198 2.1237 2.1237 6.8857 6.8857 6.9281 6.9281 7.3988 7.3988 7.9529 7.9529 8.1591 8.1591 8.4774 8.4774 k = 0.0000 0.0000 0.0623 ( 6503 PWs) bands (ev): -27.0596 -27.0596 -27.0377 -27.0377 -11.1268 -11.1268 -10.7142 -10.7142 -10.6288 -10.6288 -10.5901 -10.5901 -10.4546 -10.4546 -10.4105 -10.4105 -10.3841 -10.3841 -10.1686 -10.1686 -2.3021 -2.3021 -2.1241 -2.1241 -1.9263 -1.9263 -1.9246 -1.9246 -0.1066 -0.1066 0.2275 0.2275 0.2305 0.2305 0.4893 0.4893 0.8213 0.8213 0.8224 0.8224 0.9070 0.9070 0.9397 0.9397 1.1491 1.1491 1.2964 1.2964 1.3364 1.3364 1.5085 1.5085 1.5196 1.5196 2.1159 2.1159 6.8930 6.8930 6.9421 6.9421 7.4107 7.4107 7.9587 7.9587 8.1516 8.1516 8.4660 8.4660 k = 0.0000 0.0000 0.0779 ( 6503 PWs) bands (ev): -27.0593 -27.0593 -27.0380 -27.0380 -11.1226 -11.1226 -10.7224 -10.7224 -10.6288 -10.6288 -10.5907 -10.5907 -10.4541 -10.4541 -10.4110 -10.4110 -10.3780 -10.3780 -10.1702 -10.1702 -2.3001 -2.3001 -2.1268 -2.1268 -1.9263 -1.9263 -1.9247 -1.9247 -0.1021 -0.1021 0.2275 0.2275 0.2305 0.2305 0.4708 0.4708 0.8227 0.8227 0.8238 0.8238 0.9077 0.9077 0.9398 0.9398 1.1690 1.1690 1.2973 1.2973 1.3362 1.3362 1.5088 1.5088 1.5194 1.5194 2.1060 2.1060 6.9027 6.9027 6.9600 6.9600 7.4254 7.4254 7.9661 7.9661 8.1416 8.1416 8.4522 8.4522 k = 0.0000 0.0000 0.0935 ( 6487 PWs) bands (ev): -27.0589 -27.0589 -27.0383 -27.0383 -11.1175 -11.1175 -10.7321 -10.7321 -10.6285 -10.6285 -10.5913 -10.5913 -10.4533 -10.4533 -10.4117 -10.4117 -10.3710 -10.3710 -10.1722 -10.1722 -2.2977 -2.2977 -2.1299 -2.1299 -1.9262 -1.9262 -1.9247 -1.9247 -0.0966 -0.0966 0.2276 0.2276 0.2305 0.2305 0.4501 0.4501 0.8232 0.8232 0.8261 0.8261 0.9085 0.9085 0.9400 0.9400 1.1921 1.1921 1.2983 1.2983 1.3359 1.3359 1.5092 1.5092 1.5192 1.5192 2.0940 2.0940 6.9149 6.9149 6.9815 6.9815 7.4424 7.4424 7.9750 7.9750 8.1286 8.1286 8.4367 8.4367 k = 0.0000 0.0000 0.1091 ( 6499 PWs) bands (ev): -27.0586 -27.0586 -27.0387 -27.0387 -11.1116 -11.1116 -10.7432 -10.7432 -10.6282 -10.6282 -10.5921 -10.5921 -10.4525 -10.4525 -10.4126 -10.4126 -10.3634 -10.3634 -10.1746 -10.1746 -2.2949 -2.2949 -2.1337 -2.1337 -1.9262 -1.9262 -1.9247 -1.9247 -0.0901 -0.0901 0.2276 0.2276 0.2304 0.2304 0.4277 0.4277 0.8236 0.8236 0.8282 0.8282 0.9095 0.9095 0.9400 0.9400 1.2179 1.2179 1.2996 1.2996 1.3355 1.3355 1.5097 1.5097 1.5189 1.5189 2.0800 2.0800 6.9299 6.9299 7.0065 7.0065 7.4612 7.4612 7.9856 7.9856 8.1123 8.1123 8.4200 8.4200 k = 0.0000 0.0000 0.1247 ( 6483 PWs) bands (ev): -27.0581 -27.0581 -27.0392 -27.0392 -11.1048 -11.1048 -10.7553 -10.7553 -10.6276 -10.6276 -10.5930 -10.5930 -10.4516 -10.4516 -10.4134 -10.4134 -10.3552 -10.3552 -10.1773 -10.1773 -2.2916 -2.2916 -2.1379 -2.1379 -1.9262 -1.9262 -1.9248 -1.9248 -0.0825 -0.0825 0.2277 0.2277 0.2304 0.2304 0.4042 0.4042 0.8242 0.8242 0.8300 0.8300 0.9107 0.9107 0.9399 0.9399 1.2458 1.2458 1.3015 1.3015 1.3350 1.3350 1.5103 1.5103 1.5186 1.5186 2.0639 2.0639 6.9479 6.9479 7.0349 7.0349 7.4812 7.4812 7.9978 7.9978 8.0924 8.0924 8.4025 8.4025 k = 0.0000 0.0000 0.1403 ( 6479 PWs) bands (ev): -27.0576 -27.0576 -27.0397 -27.0397 -11.0972 -11.0972 -10.7684 -10.7684 -10.6270 -10.6270 -10.5940 -10.5940 -10.4506 -10.4506 -10.4145 -10.4145 -10.3466 -10.3466 -10.1803 -10.1803 -2.2880 -2.2880 -2.1426 -2.1426 -1.9262 -1.9262 -1.9248 -1.9248 -0.0740 -0.0740 0.2278 0.2278 0.2303 0.2303 0.3800 0.3800 0.8247 0.8247 0.8314 0.8314 0.9119 0.9119 0.9397 0.9397 1.2740 1.2740 1.3049 1.3049 1.3345 1.3345 1.5110 1.5110 1.5182 1.5182 2.0459 2.0459 6.9688 6.9688 7.0663 7.0663 7.5018 7.5018 8.0116 8.0116 8.0684 8.0684 8.3849 8.3849 k = 0.0000 0.0000 0.1558 ( 6467 PWs) bands (ev): -27.0570 -27.0570 -27.0402 -27.0402 -11.0887 -11.0887 -10.7822 -10.7822 -10.6261 -10.6261 -10.5951 -10.5951 -10.4494 -10.4494 -10.4156 -10.4156 -10.3378 -10.3378 -10.1838 -10.1838 -2.2839 -2.2839 -2.1476 -2.1476 -1.9261 -1.9261 -1.9249 -1.9249 -0.0646 -0.0646 0.2279 0.2279 0.2303 0.2303 0.3553 0.3553 0.8254 0.8254 0.8325 0.8325 0.9132 0.9132 0.9395 0.9395 1.2949 1.2949 1.3173 1.3173 1.3338 1.3338 1.5120 1.5120 1.5179 1.5179 2.0260 2.0260 6.9930 6.9930 7.1004 7.1004 7.5223 7.5223 8.0269 8.0269 8.0401 8.0401 8.3675 8.3675 k = 0.0000 0.0000 0.1714 ( 6475 PWs) bands (ev): -27.0564 -27.0564 -27.0408 -27.0408 -11.0795 -11.0795 -10.7966 -10.7966 -10.6252 -10.6252 -10.5963 -10.5963 -10.4482 -10.4482 -10.4168 -10.4168 -10.3288 -10.3288 -10.1876 -10.1876 -2.2795 -2.2795 -2.1531 -2.1531 -1.9261 -1.9261 -1.9250 -1.9250 -0.0541 -0.0541 0.2280 0.2280 0.2302 0.2302 0.3304 0.3304 0.8260 0.8260 0.8334 0.8334 0.9145 0.9145 0.9390 0.9390 1.3009 1.3009 1.3331 1.3331 1.3455 1.3455 1.5131 1.5131 1.5174 1.5174 2.0043 2.0043 7.0203 7.0203 7.1368 7.1368 7.5421 7.5421 8.0074 8.0074 8.0437 8.0437 8.3506 8.3506 k = 0.0000 0.0000 0.1870 ( 6475 PWs) bands (ev): -27.0558 -27.0558 -27.0415 -27.0415 -11.0695 -11.0695 -10.8116 -10.8116 -10.6241 -10.6241 -10.5975 -10.5975 -10.4469 -10.4469 -10.4181 -10.4181 -10.3198 -10.3198 -10.1917 -10.1917 -2.2748 -2.2748 -2.1589 -2.1589 -1.9261 -1.9261 -1.9250 -1.9250 -0.0428 -0.0428 0.2280 0.2280 0.2302 0.2302 0.3056 0.3056 0.8267 0.8267 0.8340 0.8340 0.9160 0.9160 0.9385 0.9385 1.3036 1.3036 1.3322 1.3322 1.3779 1.3779 1.5147 1.5147 1.5169 1.5169 1.9809 1.9809 7.0510 7.0510 7.1751 7.1751 7.5605 7.5605 7.9702 7.9702 8.0620 8.0620 8.3346 8.3346 k = 0.0000 0.0000 0.2026 ( 6475 PWs) bands (ev): -27.0551 -27.0551 -27.0422 -27.0422 -11.0589 -11.0589 -10.8269 -10.8269 -10.6230 -10.6230 -10.5988 -10.5988 -10.4455 -10.4455 -10.4195 -10.4195 -10.3107 -10.3107 -10.1962 -10.1962 -2.2696 -2.2696 -2.1651 -2.1651 -1.9260 -1.9260 -1.9251 -1.9251 -0.0304 -0.0304 0.2280 0.2280 0.2301 0.2301 0.2810 0.2810 0.8274 0.8274 0.8345 0.8345 0.9175 0.9175 0.9379 0.9379 1.3057 1.3057 1.3313 1.3313 1.4109 1.4109 1.5163 1.5163 1.5171 1.5171 1.9558 1.9558 7.0848 7.0848 7.2147 7.2147 7.5767 7.5767 7.9287 7.9287 8.0818 8.0818 8.3198 8.3198 k = 0.0000 0.0000 0.2182 ( 6467 PWs) bands (ev): -27.0544 -27.0544 -27.0429 -27.0429 -11.0475 -11.0475 -10.8425 -10.8425 -10.6217 -10.6217 -10.6003 -10.6003 -10.4440 -10.4440 -10.4210 -10.4210 -10.3018 -10.3018 -10.2010 -10.2010 -2.2642 -2.2642 -2.1714 -2.1714 -1.9260 -1.9260 -1.9251 -1.9251 -0.0172 -0.0172 0.2279 0.2279 0.2300 0.2300 0.2568 0.2568 0.8281 0.8281 0.8347 0.8347 0.9190 0.9190 0.9372 0.9372 1.3076 1.3076 1.3303 1.3303 1.4429 1.4429 1.5158 1.5158 1.5213 1.5213 1.9293 1.9293 7.1217 7.1217 7.2550 7.2550 7.5902 7.5902 7.8836 7.8836 8.1030 8.1030 8.3063 8.3063 k = 0.0000 0.0000 0.2338 ( 6466 PWs) bands (ev): -27.0536 -27.0536 -27.0437 -27.0437 -11.0354 -11.0354 -10.8582 -10.8582 -10.6203 -10.6203 -10.6017 -10.6017 -10.4425 -10.4425 -10.4225 -10.4225 -10.2929 -10.2929 -10.2062 -10.2062 -2.2585 -2.2585 -2.1780 -2.1780 -1.9260 -1.9260 -1.9252 -1.9252 -0.0030 -0.0030 0.2262 0.2262 0.2299 0.2299 0.2347 0.2347 0.8289 0.8289 0.8347 0.8347 0.9206 0.9206 0.9364 0.9364 1.3095 1.3095 1.3291 1.3291 1.4710 1.4710 1.5151 1.5151 1.5299 1.5299 1.9013 1.9013 7.1615 7.1615 7.2950 7.2950 7.6003 7.6003 7.8354 7.8354 8.1256 8.1256 8.2944 8.2944 k = 0.0000 0.0000 0.2494 ( 6466 PWs) bands (ev): -27.0528 -27.0528 -27.0445 -27.0445 -11.0228 -11.0228 -10.8741 -10.8741 -10.6189 -10.6189 -10.6032 -10.6032 -10.4409 -10.4409 -10.4241 -10.4241 -10.2842 -10.2842 -10.2118 -10.2118 -2.2525 -2.2525 -2.1847 -2.1847 -1.9259 -1.9259 -1.9253 -1.9253 0.0121 0.0121 0.2081 0.2081 0.2294 0.2294 0.2299 0.2299 0.8296 0.8296 0.8347 0.8347 0.9221 0.9221 0.9354 0.9354 1.3114 1.3114 1.3279 1.3279 1.4900 1.4900 1.5144 1.5144 1.5478 1.5478 1.8720 1.8720 7.2039 7.2039 7.3339 7.3339 7.6064 7.6064 7.7852 7.7852 8.1494 8.1494 8.2841 8.2841 k = 0.0000 0.0000 0.2649 ( 6466 PWs) bands (ev): -27.0520 -27.0520 -27.0453 -27.0453 -11.0096 -11.0096 -10.8899 -10.8899 -10.6174 -10.6174 -10.6048 -10.6048 -10.4393 -10.4393 -10.4257 -10.4257 -10.2758 -10.2758 -10.2176 -10.2176 -2.2463 -2.2463 -2.1916 -2.1916 -1.9259 -1.9259 -1.9254 -1.9254 0.0281 0.0281 0.1855 0.1855 0.2291 0.2291 0.2298 0.2298 0.8303 0.8303 0.8345 0.8345 0.9237 0.9237 0.9344 0.9344 1.3132 1.3132 1.3265 1.3265 1.4994 1.4994 1.5137 1.5137 1.5753 1.5753 1.8415 1.8415 7.2484 7.2484 7.3701 7.3701 7.6083 7.6083 7.7344 7.7344 8.1745 8.1745 8.2758 8.2758 k = 0.0000 0.0000 0.2805 ( 6482 PWs) bands (ev): -27.0512 -27.0512 -27.0461 -27.0461 -10.9959 -10.9959 -10.9058 -10.9058 -10.6159 -10.6159 -10.6064 -10.6064 -10.4376 -10.4376 -10.4274 -10.4274 -10.2675 -10.2675 -10.2239 -10.2239 -2.2399 -2.2399 -2.1986 -2.1986 -1.9258 -1.9258 -1.9254 -1.9254 0.0450 0.0450 0.1633 0.1633 0.2291 0.2291 0.2297 0.2297 0.8310 0.8310 0.8342 0.8342 0.9252 0.9252 0.9333 0.9333 1.3150 1.3150 1.3250 1.3250 1.5039 1.5039 1.5129 1.5129 1.6076 1.6076 1.8099 1.8099 7.2943 7.2943 7.4014 7.4014 7.6062 7.6062 7.6850 7.6850 8.2006 8.2006 8.2692 8.2692 k = 0.0000 0.0000 0.2961 ( 6486 PWs) bands (ev): -27.0504 -27.0504 -27.0469 -27.0469 -10.9818 -10.9818 -10.9215 -10.9215 -10.6144 -10.6144 -10.6080 -10.6080 -10.4360 -10.4360 -10.4291 -10.4291 -10.2596 -10.2596 -10.2304 -10.2304 -2.2333 -2.2333 -2.2056 -2.2056 -1.9257 -1.9257 -1.9255 -1.9255 0.0627 0.0627 0.1417 0.1417 0.2292 0.2292 0.2296 0.2296 0.8316 0.8316 0.8338 0.8338 0.9267 0.9267 0.9321 0.9321 1.3168 1.3168 1.3235 1.3235 1.5066 1.5066 1.5120 1.5120 1.6415 1.6415 1.7774 1.7774 7.3399 7.3399 7.4239 7.4239 7.6010 7.6010 7.6410 7.6410 8.2271 8.2271 8.2637 8.2637 k = 0.0000 0.0000 0.3117 ( 6486 PWs) bands (ev): -27.0495 -27.0495 -27.0478 -27.0478 -10.9672 -10.9672 -10.9370 -10.9370 -10.6128 -10.6128 -10.6096 -10.6096 -10.4343 -10.4343 -10.4308 -10.4308 -10.2518 -10.2518 -10.2372 -10.2372 -2.2265 -2.2265 -2.2126 -2.2126 -1.9257 -1.9257 -1.9256 -1.9256 0.0813 0.0813 0.1208 0.1208 0.2293 0.2293 0.2295 0.2295 0.8322 0.8322 0.8334 0.8334 0.9281 0.9281 0.9309 0.9309 1.3185 1.3185 1.3219 1.3219 1.5084 1.5084 1.5110 1.5110 1.6759 1.6759 1.7442 1.7442 7.3825 7.3825 7.4309 7.4309 7.5952 7.5952 7.6087 7.6087 8.2502 8.2502 8.2599 8.2599 k = 0.0000 0.0000 0.3273 ( 6494 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9522 -10.9522 -10.9522 -10.9522 -10.6112 -10.6112 -10.6112 -10.6112 -10.4325 -10.4325 -10.4325 -10.4325 -10.2444 -10.2444 -10.2444 -10.2444 -2.2196 -2.2196 -2.2196 -2.2196 -1.9256 -1.9256 -1.9256 -1.9256 0.1006 0.1006 0.1007 0.1007 0.2293 0.2293 0.2294 0.2294 0.8328 0.8328 0.8328 0.8328 0.9295 0.9295 0.9295 0.9295 1.3202 1.3202 1.3202 1.3202 1.5098 1.5098 1.5098 1.5098 1.7102 1.7102 1.7102 1.7102 7.4159 7.4159 7.4160 7.4160 7.5946 7.5946 7.5947 7.5947 8.2572 8.2572 8.2573 8.2573 k = 0.0000 0.0000 0.3273 ( 6494 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9522 -10.9522 -10.9522 -10.9522 -10.6112 -10.6112 -10.6112 -10.6112 -10.4325 -10.4325 -10.4325 -10.4325 -10.2444 -10.2444 -10.2444 -10.2444 -2.2196 -2.2196 -2.2196 -2.2196 -1.9256 -1.9256 -1.9256 -1.9256 0.1006 0.1006 0.1007 0.1007 0.2293 0.2293 0.2294 0.2294 0.8328 0.8328 0.8328 0.8328 0.9295 0.9295 0.9295 0.9295 1.3202 1.3202 1.3202 1.3202 1.5098 1.5098 1.5098 1.5098 1.7102 1.7102 1.7102 1.7102 7.4159 7.4159 7.4160 7.4160 7.5946 7.5946 7.5947 7.5947 8.2572 8.2572 8.2573 8.2573 k = 0.0000 0.0156 0.3273 ( 6484 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9544 -10.9544 -10.9500 -10.9500 -10.6161 -10.6161 -10.6065 -10.6065 -10.4329 -10.4329 -10.4325 -10.4325 -10.2466 -10.2466 -10.2417 -10.2417 -2.2486 -2.2486 -2.2195 -2.2195 -1.9256 -1.9256 -1.8955 -1.8955 0.0966 0.0966 0.1012 0.1012 0.2255 0.2255 0.2305 0.2305 0.8326 0.8326 0.8375 0.8375 0.9279 0.9279 0.9344 0.9344 1.3201 1.3201 1.3207 1.3207 1.5098 1.5098 1.5100 1.5100 1.7081 1.7081 1.7130 1.7130 7.4120 7.4120 7.4166 7.4166 7.5851 7.5851 7.5956 7.5956 8.1874 8.1874 8.2684 8.2684 k = 0.0000 0.0312 0.3273 ( 6476 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9566 -10.9566 -10.9477 -10.9477 -10.6212 -10.6212 -10.6019 -10.6019 -10.4335 -10.4335 -10.4325 -10.4325 -10.2482 -10.2482 -10.2384 -10.2384 -2.3148 -2.3148 -2.2192 -2.2192 -1.9255 -1.9255 -1.8256 -1.8256 0.0858 0.0858 0.1025 0.1025 0.2142 0.2142 0.2333 0.2333 0.8319 0.8319 0.8511 0.8511 0.9275 0.9275 0.9444 0.9444 1.3203 1.3203 1.3215 1.3215 1.5097 1.5097 1.5104 1.5104 1.7063 1.7063 1.7167 1.7167 7.4005 7.4005 7.4175 7.4175 7.5591 7.5591 7.5980 7.5980 8.0979 8.0979 8.2797 8.2797 k = 0.0000 0.0469 0.3273 ( 6482 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9588 -10.9588 -10.9453 -10.9453 -10.6264 -10.6264 -10.5975 -10.5975 -10.4346 -10.4346 -10.4327 -10.4327 -10.2494 -10.2494 -10.2346 -10.2346 -2.3949 -2.3949 -2.2187 -2.2187 -1.9254 -1.9254 -1.7396 -1.7396 0.0695 0.0695 0.1045 0.1045 0.1966 0.1966 0.2365 0.2365 0.8310 0.8310 0.8722 0.8722 0.9274 0.9274 0.9601 0.9601 1.3208 1.3208 1.3226 1.3226 1.5096 1.5096 1.5112 1.5112 1.7046 1.7046 1.7213 1.7213 7.3795 7.3795 7.4189 7.4189 7.5218 7.5218 7.6021 7.6021 8.0026 8.0026 8.2704 8.2704 k = 0.0000 0.0625 0.3273 ( 6478 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9610 -10.9610 -10.9429 -10.9429 -10.6317 -10.6317 -10.5932 -10.5932 -10.4360 -10.4360 -10.4330 -10.4330 -10.2502 -10.2502 -10.2303 -10.2303 -2.4796 -2.4796 -2.2180 -2.2180 -1.9253 -1.9253 -1.6466 -1.6466 0.0491 0.0491 0.1073 0.1073 0.1739 0.1739 0.2393 0.2393 0.8301 0.8301 0.8991 0.8991 0.9279 0.9279 0.9811 0.9811 1.3216 1.3216 1.3242 1.3242 1.5095 1.5095 1.5122 1.5122 1.7030 1.7030 1.7273 1.7273 7.3460 7.3460 7.4208 7.4208 7.4804 7.4804 7.6081 7.6081 7.9033 7.9033 8.2574 8.2574 k = 0.0000 0.0781 0.3273 ( 6474 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9632 -10.9632 -10.9404 -10.9404 -10.6372 -10.6372 -10.5891 -10.5891 -10.4377 -10.4377 -10.4334 -10.4334 -10.2506 -10.2506 -10.2255 -10.2255 -2.5654 -2.5654 -2.2170 -2.2170 -1.9251 -1.9251 -1.5502 -1.5502 0.0258 0.0258 0.1104 0.1104 0.1480 0.1480 0.2407 0.2407 0.8292 0.8292 0.9224 0.9224 0.9366 0.9366 1.0070 1.0070 1.3227 1.3227 1.3264 1.3264 1.5094 1.5094 1.5133 1.5133 1.7013 1.7013 1.7346 1.7346 7.2978 7.2978 7.4228 7.4228 7.4405 7.4405 7.6160 7.6160 7.8008 7.8008 8.2413 8.2413 k = 0.0000 0.0938 0.3273 ( 6480 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9654 -10.9654 -10.9379 -10.9379 -10.6428 -10.6428 -10.5852 -10.5852 -10.4397 -10.4397 -10.4338 -10.4338 -10.2507 -10.2507 -10.2203 -10.2203 -2.6510 -2.6510 -2.2159 -2.2159 -1.9249 -1.9249 -1.4519 -1.4519 0.0004 0.0004 0.1094 0.1094 0.1242 0.1242 0.2406 0.2406 0.8284 0.8284 0.9251 0.9251 0.9692 0.9692 1.0373 1.0373 1.3238 1.3238 1.3296 1.3296 1.5092 1.5092 1.5147 1.5147 1.6994 1.6994 1.7434 1.7434 7.2363 7.2363 7.4034 7.4034 7.4251 7.4251 7.6256 7.6256 7.6966 7.6966 8.2224 8.2224 k = 0.0000 0.1094 0.3273 ( 6492 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9677 -10.9677 -10.9352 -10.9352 -10.6485 -10.6485 -10.5814 -10.5814 -10.4419 -10.4419 -10.4343 -10.4343 -10.2504 -10.2504 -10.2147 -10.2147 -2.7353 -2.7353 -2.2146 -2.2146 -1.9247 -1.9247 -1.3525 -1.3525 -0.0263 -0.0263 0.0847 0.0847 0.1232 0.1232 0.2388 0.2388 0.8276 0.8276 0.9252 0.9252 1.0061 1.0061 1.0711 1.0711 1.3251 1.3251 1.3341 1.3341 1.5089 1.5089 1.5161 1.5161 1.6974 1.6974 1.7537 1.7537 7.1653 7.1653 7.3673 7.3673 7.4271 7.4271 7.5888 7.5888 7.6397 7.6397 8.2011 8.2011 k = 0.0000 0.1250 0.3273 ( 6492 PWs) bands (ev): -27.0486 -27.0486 -27.0485 -27.0485 -10.9699 -10.9699 -10.9325 -10.9325 -10.6542 -10.6542 -10.5777 -10.5777 -10.4443 -10.4443 -10.4349 -10.4349 -10.2499 -10.2499 -10.2088 -10.2088 -2.8181 -2.8181 -2.2132 -2.2132 -1.9244 -1.9244 -1.2527 -1.2527 -0.0538 -0.0538 0.0536 0.0536 0.1284 0.1284 0.2355 0.2355 0.8269 0.8269 0.9251 0.9251 1.0445 1.0445 1.1073 1.1073 1.3265 1.3265 1.3407 1.3407 1.5086 1.5086 1.5176 1.5176 1.6951 1.6951 1.7655 1.7655 7.0883 7.0883 7.3303 7.3303 7.4280 7.4280 7.4837 7.4837 7.6538 7.6538 8.1779 8.1779 k = 0.0000 0.1406 0.3273 ( 6488 PWs) bands (ev): -27.0485 -27.0485 -27.0485 -27.0485 -10.9723 -10.9723 -10.9297 -10.9297 -10.6600 -10.6600 -10.5742 -10.5742 -10.4468 -10.4468 -10.4355 -10.4355 -10.2492 -10.2492 -10.2026 -10.2026 -2.8990 -2.8990 -2.2115 -2.2115 -1.9241 -1.9241 -1.1528 -1.1528 -0.0818 -0.0818 0.0216 0.0216 0.1347 0.1347 0.2307 0.2307 0.8262 0.8262 0.9249 0.9249 1.0834 1.0834 1.1441 1.1441 1.3279 1.3279 1.3506 1.3506 1.5083 1.5083 1.5191 1.5191 1.6926 1.6926 1.7790 1.7790 7.0078 7.0078 7.2911 7.2911 7.3724 7.3724 7.4340 7.4340 7.6710 7.6710 8.1532 8.1532 k = 0.0000 0.1562 0.3273 ( 6492 PWs) bands (ev): -27.0485 -27.0485 -27.0485 -27.0485 -10.9747 -10.9747 -10.9268 -10.9268 -10.6658 -10.6658 -10.5707 -10.5707 -10.4493 -10.4493 -10.4361 -10.4361 -10.2482 -10.2482 -10.1962 -10.1962 -2.9777 -2.9777 -2.2098 -2.2098 -1.9238 -1.9238 -1.0531 -1.0531 -0.1099 -0.1099 -0.0104 -0.0104 0.1416 0.1416 0.2248 0.2248 0.8256 0.8256 0.9246 0.9246 1.1224 1.1224 1.1794 1.1794 1.3293 1.3293 1.3654 1.3654 1.5080 1.5080 1.5206 1.5206 1.6900 1.6900 1.7940 1.7940 6.9253 6.9253 7.2495 7.2495 7.2664 7.2664 7.4347 7.4347 7.6908 7.6908 8.1273 8.1273 k = 0.0000 0.1719 0.3273 ( 6490 PWs) bands (ev): -27.0485 -27.0485 -27.0484 -27.0484 -10.9771 -10.9771 -10.9239 -10.9239 -10.6715 -10.6715 -10.5674 -10.5674 -10.4519 -10.4519 -10.4368 -10.4368 -10.2471 -10.2471 -10.1898 -10.1898 -3.0539 -3.0539 -2.2079 -2.2079 -1.9235 -1.9235 -0.9541 -0.9541 -0.1379 -0.1379 -0.0421 -0.0421 0.1490 0.1490 0.2178 0.2178 0.8250 0.8250 0.9243 0.9243 1.1606 1.1606 1.2107 1.2107 1.3307 1.3307 1.3871 1.3871 1.5076 1.5076 1.5221 1.5221 1.6872 1.6872 1.8105 1.8105 6.8419 6.8419 7.1600 7.1600 7.2056 7.2056 7.4362 7.4362 7.7131 7.7131 8.1007 8.1007 k = 0.0000 0.1875 0.3273 ( 6494 PWs) bands (ev): -27.0484 -27.0484 -27.0484 -27.0484 -10.9796 -10.9796 -10.9209 -10.9209 -10.6771 -10.6771 -10.5642 -10.5642 -10.4545 -10.4545 -10.4375 -10.4375 -10.2458 -10.2458 -10.1832 -10.1832 -3.1277 -3.1277 -2.2058 -2.2058 -1.9231 -1.9231 -0.8560 -0.8560 -0.1655 -0.1655 -0.0732 -0.0732 0.1568 0.1568 0.2100 0.2100 0.8244 0.8244 0.9239 0.9239 1.1968 1.1968 1.2373 1.2373 1.3322 1.3322 1.4170 1.4170 1.5072 1.5072 1.5235 1.5235 1.6843 1.6843 1.8285 1.8285 6.7585 6.7585 7.0546 7.0546 7.1593 7.1593 7.4376 7.4376 7.7380 7.7380 8.0736 8.0736 k = 0.0000 0.2031 0.3273 ( 6502 PWs) bands (ev): -27.0484 -27.0484 -27.0484 -27.0484 -10.9821 -10.9821 -10.9179 -10.9179 -10.6827 -10.6827 -10.5610 -10.5610 -10.4572 -10.4572 -10.4382 -10.4382 -10.2444 -10.2444 -10.1767 -10.1767 -3.1988 -3.1988 -2.2037 -2.2037 -1.9227 -1.9227 -0.7592 -0.7592 -0.1925 -0.1925 -0.1034 -0.1034 0.1645 0.1645 0.2019 0.2019 0.8237 0.8237 0.9235 0.9235 1.2268 1.2268 1.2625 1.2625 1.3340 1.3340 1.4543 1.4543 1.5069 1.5069 1.5248 1.5248 1.6815 1.6815 1.8478 1.8478 6.6756 6.6756 6.9505 6.9505 7.1112 7.1112 7.4391 7.4391 7.7653 7.7653 8.0463 8.0463 k = 0.0000 0.2188 0.3273 ( 6486 PWs) bands (ev): -27.0484 -27.0484 -27.0483 -27.0483 -10.9847 -10.9847 -10.9148 -10.9148 -10.6881 -10.6881 -10.5579 -10.5579 -10.4597 -10.4597 -10.4389 -10.4389 -10.2429 -10.2429 -10.1703 -10.1703 -3.2670 -3.2670 -2.2016 -2.2016 -1.9223 -1.9223 -0.6638 -0.6638 -0.2187 -0.2187 -0.1326 -0.1326 0.1714 0.1714 0.1945 0.1945 0.8232 0.8232 0.9232 0.9232 1.2461 1.2461 1.2914 1.2914 1.3371 1.3371 1.4970 1.4970 1.5066 1.5066 1.5261 1.5261 1.6791 1.6791 1.8685 1.8685 6.5939 6.5939 6.8483 6.8483 7.0616 7.0616 7.4405 7.4405 7.7949 7.7949 8.0193 8.0193 k = 0.0000 0.2344 0.3273 ( 6484 PWs) bands (ev): -27.0483 -27.0483 -27.0483 -27.0483 -10.9873 -10.9873 -10.9117 -10.9117 -10.6934 -10.6934 -10.5549 -10.5549 -10.4623 -10.4623 -10.4396 -10.4396 -10.2413 -10.2413 -10.1639 -10.1639 -3.3322 -3.3322 -2.1993 -2.1993 -1.9219 -1.9219 -0.5704 -0.5704 -0.2441 -0.2441 -0.1607 -0.1607 0.1737 0.1737 0.1916 0.1916 0.8226 0.8226 0.9228 0.9228 1.2572 1.2572 1.3180 1.3180 1.3460 1.3460 1.5063 1.5063 1.5273 1.5273 1.5424 1.5424 1.6778 1.6778 1.8904 1.8904 6.5137 6.5137 6.7482 6.7482 7.0111 7.0111 7.4419 7.4419 7.8268 7.8268 7.9926 7.9926 k = 0.0000 0.2500 0.3273 ( 6484 PWs) bands (ev): -27.0483 -27.0483 -27.0482 -27.0482 -10.9899 -10.9899 -10.9087 -10.9087 -10.6985 -10.6985 -10.5519 -10.5519 -10.4649 -10.4649 -10.4402 -10.4402 -10.2396 -10.2396 -10.1577 -10.1577 -3.3944 -3.3944 -2.1971 -2.1971 -1.9215 -1.9215 -0.4792 -0.4792 -0.2684 -0.2684 -0.1874 -0.1874 0.1680 0.1680 0.1965 0.1965 0.8220 0.8220 0.9224 0.9224 1.2641 1.2641 1.3288 1.3288 1.3709 1.3709 1.5064 1.5064 1.5285 1.5285 1.5863 1.5863 1.6799 1.6799 1.9134 1.9134 6.4356 6.4356 6.6506 6.6506 6.9601 6.9601 7.4434 7.4434 7.8607 7.8607 7.9666 7.9666 k = 0.0000 0.2656 0.3273 ( 6488 PWs) bands (ev): -27.0483 -27.0483 -27.0482 -27.0482 -10.9925 -10.9925 -10.9056 -10.9056 -10.7034 -10.7034 -10.5491 -10.5491 -10.4674 -10.4674 -10.4409 -10.4409 -10.2379 -10.2379 -10.1517 -10.1517 -3.4534 -3.4534 -2.1948 -2.1948 -1.9212 -1.9212 -0.3910 -0.3910 -0.2912 -0.2912 -0.2128 -0.2128 0.1594 0.1594 0.2043 0.2043 0.8214 0.8214 0.9220 0.9220 1.2687 1.2687 1.3320 1.3320 1.4019 1.4019 1.5071 1.5071 1.5297 1.5297 1.6206 1.6206 1.6924 1.6924 1.9372 1.9372 6.3599 6.3599 6.5559 6.5559 6.9092 6.9092 7.4451 7.4451 7.8963 7.8963 7.9414 7.9414 k = 0.0000 0.2812 0.3273 ( 6484 PWs) bands (ev): -27.0482 -27.0482 -27.0481 -27.0481 -10.9951 -10.9951 -10.9026 -10.9026 -10.7081 -10.7081 -10.5462 -10.5462 -10.4698 -10.4698 -10.4415 -10.4415 -10.2362 -10.2362 -10.1459 -10.1459 -3.5091 -3.5091 -2.1925 -2.1925 -1.9208 -1.9208 -0.3206 -0.3206 -0.2983 -0.2983 -0.2363 -0.2363 0.1502 0.1502 0.2128 0.2128 0.8207 0.8207 0.9216 0.9216 1.2719 1.2719 1.3336 1.3336 1.4313 1.4313 1.5092 1.5092 1.5311 1.5311 1.6358 1.6358 1.7242 1.7242 1.9618 1.9618 6.2870 6.2870 6.4644 6.4644 6.8588 6.8588 7.4470 7.4470 7.9164 7.9164 7.9344 7.9344 k = 0.0000 0.2969 0.3273 ( 6496 PWs) bands (ev): -27.0482 -27.0482 -27.0481 -27.0481 -10.9977 -10.9977 -10.8997 -10.8997 -10.7125 -10.7125 -10.5435 -10.5435 -10.4723 -10.4723 -10.4422 -10.4422 -10.2345 -10.2345 -10.1405 -10.1405 -3.5615 -3.5615 -2.1902 -2.1902 -1.9204 -1.9204 -0.3363 -0.3363 -0.2615 -0.2615 -0.2182 -0.2182 0.1409 0.1409 0.2215 0.2215 0.8200 0.8200 0.9213 0.9213 1.2742 1.2742 1.3346 1.3346 1.4554 1.4554 1.5144 1.5144 1.5331 1.5331 1.6388 1.6388 1.7677 1.7677 1.9870 1.9870 6.2171 6.2171 6.3765 6.3765 6.8095 6.8095 7.4491 7.4491 7.8937 7.8937 7.9723 7.9723 k = 0.0000 0.3125 0.3273 ( 6490 PWs) bands (ev): -27.0481 -27.0481 -27.0481 -27.0481 -11.0001 -11.0001 -10.8968 -10.8968 -10.7167 -10.7167 -10.5408 -10.5408 -10.4747 -10.4747 -10.4427 -10.4427 -10.2328 -10.2328 -10.1352 -10.1352 -3.6103 -3.6103 -2.1880 -2.1880 -1.9200 -1.9200 -0.3555 -0.3555 -0.2816 -0.2816 -0.1405 -0.1405 0.1318 0.1318 0.2300 0.2300 0.8194 0.8194 0.9209 0.9209 1.2759 1.2759 1.3355 1.3355 1.4706 1.4706 1.5229 1.5229 1.5383 1.5383 1.6382 1.6382 1.8142 1.8142 2.0124 2.0124 6.1508 6.1508 6.2926 6.2926 6.7617 6.7617 7.4515 7.4515 7.8719 7.8719 8.0107 8.0107 k = 0.0000 0.3281 0.3273 ( 6482 PWs) bands (ev): -27.0481 -27.0481 -27.0480 -27.0480 -11.0025 -11.0025 -10.8941 -10.8941 -10.7206 -10.7206 -10.5382 -10.5382 -10.4770 -10.4770 -10.4432 -10.4432 -10.2311 -10.2311 -10.1304 -10.1304 -3.6555 -3.6555 -2.1859 -2.1859 -1.9196 -1.9196 -0.3736 -0.3736 -0.3009 -0.3009 -0.0656 -0.0656 0.1231 0.1231 0.2384 0.2384 0.8189 0.8189 0.9206 0.9206 1.2771 1.2771 1.3363 1.3363 1.4773 1.4773 1.5283 1.5283 1.5518 1.5518 1.6370 1.6370 1.8605 1.8605 2.0380 2.0380 6.0881 6.0881 6.2132 6.2132 6.7159 6.7159 7.4541 7.4541 7.8514 7.8514 8.0475 8.0475 k = 0.0000 0.3438 0.3273 ( 6490 PWs) bands (ev): -27.0481 -27.0481 -27.0480 -27.0480 -11.0048 -11.0048 -10.8915 -10.8915 -10.7242 -10.7242 -10.5356 -10.5356 -10.4793 -10.4793 -10.4437 -10.4437 -10.2295 -10.2295 -10.1258 -10.1258 -3.6971 -3.6971 -2.1839 -2.1839 -1.9193 -1.9193 -0.3904 -0.3904 -0.3188 -0.3188 0.0050 0.0050 0.1148 0.1148 0.2465 0.2465 0.8183 0.8183 0.9202 0.9202 1.2780 1.2780 1.3370 1.3370 1.4792 1.4792 1.5304 1.5304 1.5690 1.5690 1.6371 1.6371 1.9052 1.9052 2.0632 2.0632 6.0296 6.0296 6.1386 6.1386 6.6724 6.6724 7.4570 7.4570 7.8325 7.8325 8.0786 8.0786 k = 0.0000 0.3594 0.3273 ( 6474 PWs) bands (ev): -27.0480 -27.0480 -27.0479 -27.0479 -11.0069 -11.0069 -10.8890 -10.8890 -10.7275 -10.7275 -10.5332 -10.5332 -10.4815 -10.4815 -10.4442 -10.4442 -10.2280 -10.2280 -10.1217 -10.1217 -3.7350 -3.7350 -2.1820 -2.1820 -1.9190 -1.9190 -0.4057 -0.4057 -0.3351 -0.3351 0.0706 0.0706 0.1072 0.1072 0.2545 0.2545 0.8177 0.8177 0.9199 0.9199 1.2786 1.2786 1.3377 1.3377 1.4789 1.4789 1.5316 1.5316 1.5830 1.5830 1.6409 1.6409 1.9475 1.9475 2.0881 2.0881 5.9754 5.9754 6.0692 6.0692 6.6318 6.6318 7.4601 7.4601 7.8151 7.8151 8.0957 8.0957 k = 0.0000 0.3750 0.3273 ( 6476 PWs) bands (ev): -27.0480 -27.0480 -27.0479 -27.0479 -11.0089 -11.0089 -10.8867 -10.8867 -10.7306 -10.7306 -10.5308 -10.5308 -10.4837 -10.4837 -10.4446 -10.4446 -10.2266 -10.2266 -10.1179 -10.1179 -3.7690 -3.7690 -2.1802 -2.1802 -1.9187 -1.9187 -0.4195 -0.4195 -0.3498 -0.3498 0.0998 0.0998 0.1309 0.1309 0.2623 0.2623 0.8172 0.8172 0.9197 0.9197 1.2789 1.2789 1.3383 1.3383 1.4775 1.4775 1.5324 1.5324 1.5907 1.5907 1.6497 1.6497 1.9866 1.9866 2.1120 2.1120 5.9258 5.9258 6.0056 6.0056 6.5944 6.5944 7.4635 7.4635 7.7993 7.7993 8.0914 8.0914 k = 0.0000 0.3906 0.3273 ( 6480 PWs) bands (ev): -27.0480 -27.0480 -27.0479 -27.0479 -11.0107 -11.0107 -10.8846 -10.8846 -10.7333 -10.7333 -10.5285 -10.5285 -10.4858 -10.4858 -10.4449 -10.4449 -10.2253 -10.2253 -10.1146 -10.1146 -3.7993 -3.7993 -2.1787 -2.1787 -1.9184 -1.9184 -0.4318 -0.4318 -0.3627 -0.3627 0.0935 0.0935 0.1840 0.1840 0.2707 0.2707 0.8168 0.8168 0.9194 0.9194 1.2791 1.2791 1.3389 1.3389 1.4754 1.4754 1.5331 1.5331 1.5930 1.5930 1.6622 1.6622 2.0221 2.0221 2.1348 2.1348 5.8812 5.8812 5.9483 5.9483 6.5605 6.5605 7.4669 7.4669 7.7853 7.7853 8.0715 8.0715 k = 0.0000 0.4062 0.3273 ( 6468 PWs) bands (ev): -27.0480 -27.0480 -27.0479 -27.0479 -11.0123 -11.0123 -10.8828 -10.8828 -10.7356 -10.7356 -10.5263 -10.5263 -10.4877 -10.4877 -10.4452 -10.4452 -10.2242 -10.2242 -10.1116 -10.1116 -3.8256 -3.8256 -2.1772 -2.1772 -1.9182 -1.9182 -0.4425 -0.4425 -0.3740 -0.3740 0.0878 0.0878 0.2277 0.2277 0.2818 0.2818 0.8164 0.8164 0.9193 0.9193 1.2792 1.2792 1.3396 1.3396 1.4731 1.4731 1.5336 1.5336 1.5925 1.5925 1.6757 1.6757 2.0533 2.0533 2.1561 2.1561 5.8416 5.8416 5.8976 5.8976 6.5304 6.5304 7.4704 7.4704 7.7730 7.7730 8.0464 8.0464 k = 0.0000 0.4219 0.3273 ( 6484 PWs) bands (ev): -27.0480 -27.0480 -27.0478 -27.0478 -11.0137 -11.0137 -10.8811 -10.8811 -10.7376 -10.7376 -10.5244 -10.5244 -10.4896 -10.4896 -10.4455 -10.4455 -10.2232 -10.2232 -10.1091 -10.1091 -3.8479 -3.8479 -2.1760 -2.1760 -1.9180 -1.9180 -0.4516 -0.4516 -0.3836 -0.3836 0.0830 0.0830 0.2557 0.2557 0.3013 0.3013 0.8160 0.8160 0.9191 0.9191 1.2791 1.2791 1.3401 1.3401 1.4705 1.4705 1.5341 1.5341 1.5907 1.5907 1.6883 1.6883 2.0801 2.0801 2.1754 2.1754 5.8074 5.8074 5.8542 5.8542 6.5045 6.5045 7.4737 7.4737 7.7626 7.7626 8.0213 8.0213 k = 0.0000 0.4375 0.3273 ( 6488 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0149 -11.0149 -10.8798 -10.8798 -10.7393 -10.7393 -10.5226 -10.5226 -10.4913 -10.4913 -10.4457 -10.4457 -10.2224 -10.2224 -10.1071 -10.1071 -3.8663 -3.8663 -2.1750 -2.1750 -1.9178 -1.9178 -0.4591 -0.4591 -0.3915 -0.3915 0.0789 0.0789 0.2683 0.2683 0.3284 0.3284 0.8157 0.8157 0.9189 0.9189 1.2790 1.2790 1.3406 1.3406 1.4680 1.4680 1.5345 1.5345 1.5888 1.5888 1.6992 1.6992 2.1021 2.1021 2.1922 2.1922 5.7788 5.7788 5.8183 5.8183 6.4829 6.4829 7.4768 7.4768 7.7540 7.7540 7.9989 7.9989 k = 0.0000 0.4531 0.3273 ( 6492 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0158 -11.0158 -10.8787 -10.8787 -10.7406 -10.7406 -10.5210 -10.5210 -10.4928 -10.4928 -10.4459 -10.4459 -10.2217 -10.2217 -10.1055 -10.1055 -3.8806 -3.8806 -2.1742 -2.1742 -1.9177 -1.9177 -0.4649 -0.4649 -0.3976 -0.3976 0.0757 0.0757 0.2744 0.2744 0.3537 0.3537 0.8154 0.8154 0.9188 0.9188 1.2788 1.2788 1.3410 1.3410 1.4657 1.4657 1.5347 1.5347 1.5870 1.5870 1.7079 1.7079 2.1192 2.1192 2.2059 2.2059 5.7560 5.7560 5.7903 5.7903 6.4659 6.4659 7.4795 7.4795 7.7473 7.7473 7.9804 7.9804 k = 0.0000 0.4688 0.3273 ( 6488 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0165 -11.0165 -10.8780 -10.8780 -10.7416 -10.7416 -10.5198 -10.5198 -10.4939 -10.4939 -10.4460 -10.4460 -10.2212 -10.2212 -10.1043 -10.1043 -3.8908 -3.8908 -2.1736 -2.1736 -1.9176 -1.9176 -0.4691 -0.4691 -0.4020 -0.4020 0.0734 0.0734 0.2780 0.2780 0.3729 0.3729 0.8153 0.8153 0.9188 0.9188 1.2787 1.2787 1.3414 1.3414 1.4640 1.4640 1.5350 1.5350 1.5856 1.5856 1.7142 1.7142 2.1314 2.1314 2.2162 2.2162 5.7392 5.7392 5.7704 5.7704 6.4537 6.4537 7.4815 7.4815 7.7424 7.7424 7.9668 7.9668 k = 0.0000 0.4844 0.3273 ( 6488 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0169 -11.0169 -10.8775 -10.8775 -10.7421 -10.7421 -10.5190 -10.5190 -10.4946 -10.4946 -10.4461 -10.4461 -10.2209 -10.2209 -10.1036 -10.1036 -3.8970 -3.8970 -2.1732 -2.1732 -1.9175 -1.9175 -0.4716 -0.4716 -0.4046 -0.4046 0.0721 0.0721 0.2799 0.2799 0.3848 0.3848 0.8152 0.8152 0.9187 0.9187 1.2786 1.2786 1.3416 1.3416 1.4629 1.4629 1.5351 1.5351 1.5847 1.5847 1.7181 1.7181 2.1387 2.1387 2.2226 2.2226 5.7290 5.7290 5.7585 5.7585 6.4463 6.4463 7.4828 7.4828 7.7395 7.7395 7.9584 7.9584 k = 0.0000 0.5000 0.3273 ( 6484 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0170 -11.0170 -10.8773 -10.8773 -10.7423 -10.7423 -10.5188 -10.5188 -10.4949 -10.4949 -10.4461 -10.4461 -10.2208 -10.2208 -10.1034 -10.1034 -3.8990 -3.8990 -2.1731 -2.1731 -1.9175 -1.9175 -0.4724 -0.4724 -0.4055 -0.4055 0.0716 0.0716 0.2805 0.2805 0.3888 0.3888 0.8151 0.8151 0.9187 0.9187 1.2786 1.2786 1.3417 1.3417 1.4625 1.4625 1.5352 1.5352 1.5844 1.5844 1.7194 1.7194 2.1411 2.1411 2.2247 2.2247 5.7256 5.7256 5.7545 5.7545 6.4438 6.4438 7.4833 7.4833 7.7386 7.7386 7.9556 7.9556 k = 0.0000 0.5000 0.3273 ( 6484 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0170 -11.0170 -10.8773 -10.8773 -10.7423 -10.7423 -10.5188 -10.5188 -10.4949 -10.4949 -10.4461 -10.4461 -10.2208 -10.2208 -10.1034 -10.1034 -3.8990 -3.8990 -2.1731 -2.1731 -1.9175 -1.9175 -0.4724 -0.4724 -0.4055 -0.4055 0.0716 0.0716 0.2805 0.2805 0.3888 0.3888 0.8151 0.8151 0.9187 0.9187 1.2786 1.2786 1.3417 1.3417 1.4625 1.4625 1.5352 1.5352 1.5844 1.5844 1.7194 1.7194 2.1411 2.1411 2.2247 2.2247 5.7256 5.7256 5.7545 5.7545 6.4438 6.4438 7.4833 7.4833 7.7386 7.7386 7.9556 7.9556 k = 0.0156 0.5000 0.3273 ( 6488 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0169 -11.0169 -10.8775 -10.8775 -10.7422 -10.7422 -10.5192 -10.5192 -10.4947 -10.4947 -10.4463 -10.4463 -10.2204 -10.2204 -10.1033 -10.1033 -3.8990 -3.8990 -2.2061 -2.2061 -1.8833 -1.8833 -0.4723 -0.4723 -0.4058 -0.4058 0.0690 0.0690 0.2772 0.2772 0.3889 0.3889 0.8192 0.8192 0.9223 0.9223 1.2787 1.2787 1.3418 1.3418 1.4630 1.4630 1.5352 1.5352 1.5846 1.5846 1.7192 1.7192 2.1411 2.1411 2.2248 2.2248 5.7240 5.7240 5.7512 5.7512 6.4362 6.4362 7.4811 7.4811 7.7453 7.7453 7.9579 7.9579 k = 0.0312 0.5000 0.3273 ( 6500 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0166 -11.0166 -10.8780 -10.8780 -10.7418 -10.7418 -10.5206 -10.5206 -10.4944 -10.4944 -10.4467 -10.4467 -10.2189 -10.2189 -10.1031 -10.1031 -3.8989 -3.8989 -2.2777 -2.2777 -1.8081 -1.8081 -0.4719 -0.4719 -0.4067 -0.4067 0.0613 0.0613 0.2674 0.2674 0.3895 0.3895 0.8310 0.8310 0.9330 0.9330 1.2791 1.2791 1.3422 1.3422 1.4643 1.4643 1.5352 1.5352 1.5854 1.5854 1.7187 1.7187 2.1409 2.1409 2.2249 2.2249 5.7169 5.7169 5.7438 5.7438 6.4138 6.4138 7.4741 7.4741 7.7650 7.7650 7.9650 7.9650 k = 0.0469 0.5000 0.3273 ( 6492 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0161 -11.0161 -10.8789 -10.8789 -10.7411 -10.7411 -10.5228 -10.5228 -10.4939 -10.4939 -10.4474 -10.4474 -10.2165 -10.2165 -10.1027 -10.1027 -3.8987 -3.8987 -2.3613 -2.3613 -1.7183 -1.7183 -0.4712 -0.4712 -0.4080 -0.4080 0.0491 0.0491 0.2520 0.2520 0.3904 0.3904 0.8500 0.8500 0.9501 0.9501 1.2798 1.2798 1.3429 1.3429 1.4667 1.4667 1.5352 1.5352 1.5867 1.5867 1.7180 1.7180 2.1407 2.1407 2.2251 2.2251 5.6987 5.6987 5.7384 5.7384 6.3780 6.3780 7.4606 7.4606 7.7964 7.7964 7.9768 7.9768 k = 0.0625 0.5000 0.3273 ( 6496 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0154 -11.0154 -10.8801 -10.8801 -10.7401 -10.7401 -10.5257 -10.5257 -10.4933 -10.4933 -10.4483 -10.4483 -10.2133 -10.2133 -10.1022 -10.1022 -3.8984 -3.8984 -2.4485 -2.4485 -1.6227 -1.6227 -0.4703 -0.4703 -0.4099 -0.4099 0.0330 0.0330 0.2319 0.2319 0.3916 0.3916 0.8753 0.8753 0.9726 0.9726 1.2807 1.2807 1.3439 1.3439 1.4700 1.4700 1.5353 1.5353 1.5886 1.5886 1.7170 1.7170 2.1404 2.1404 2.2254 2.2254 5.6693 5.6693 5.7359 5.7359 6.3306 6.3306 7.4384 7.4384 7.8375 7.8375 7.9932 7.9932 k = 0.0781 0.5000 0.3273 ( 6504 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0145 -11.0145 -10.8817 -10.8817 -10.7389 -10.7389 -10.5293 -10.5293 -10.4927 -10.4927 -10.4494 -10.4494 -10.2093 -10.2093 -10.1015 -10.1015 -3.8980 -3.8980 -2.5361 -2.5361 -1.5243 -1.5243 -0.4691 -0.4691 -0.4123 -0.4123 0.0137 0.0137 0.2083 0.2083 0.3931 0.3931 0.9059 0.9059 0.9993 0.9993 1.2818 1.2818 1.3452 1.3452 1.4741 1.4741 1.5354 1.5354 1.5914 1.5914 1.7157 1.7157 2.1400 2.1400 2.2258 2.2258 5.6315 5.6315 5.7346 5.7346 6.2738 6.2738 7.4057 7.4057 7.8863 7.8863 8.0141 8.0141 k = 0.0938 0.5000 0.3273 ( 6496 PWs) bands (ev): -27.0479 -27.0479 -27.0477 -27.0477 -11.0134 -11.0134 -10.8836 -10.8836 -10.7375 -10.7375 -10.5333 -10.5333 -10.4920 -10.4920 -10.4506 -10.4506 -10.2046 -10.2046 -10.1007 -10.1007 -3.8976 -3.8976 -2.6230 -2.6230 -1.4242 -1.4242 -0.4679 -0.4679 -0.4151 -0.4151 -0.0080 -0.0080 0.1821 0.1821 0.3949 0.3949 0.9409 0.9409 1.0291 1.0291 1.2832 1.2832 1.3470 1.3470 1.4791 1.4791 1.5355 1.5355 1.5952 1.5952 1.7142 1.7142 2.1395 2.1395 2.2264 2.2264 5.5871 5.5871 5.7337 5.7337 6.2092 6.2092 7.3614 7.3614 7.9411 7.9411 8.0396 8.0396 k = 0.1094 0.5000 0.3273 ( 6504 PWs) bands (ev): -27.0478 -27.0478 -27.0477 -27.0477 -11.0122 -11.0122 -10.8857 -10.8857 -10.7358 -10.7358 -10.5378 -10.5378 -10.4914 -10.4914 -10.4520 -10.4520 -10.1994 -10.1994 -10.0998 -10.0998 -3.8971 -3.8971 -2.7086 -2.7086 -1.3234 -1.3234 -0.4666 -0.4666 -0.4182 -0.4182 -0.0312 -0.0312 0.1542 0.1542 0.3970 0.3970 0.9796 0.9796 1.0609 1.0609 1.2846 1.2846 1.3494 1.3494 1.4848 1.4848 1.5356 1.5356 1.6003 1.6003 1.7125 1.7125 2.1388 2.1388 2.2271 2.2271 5.5375 5.5375 5.7328 5.7328 6.1387 6.1387 7.3058 7.3058 8.0001 8.0001 8.0696 8.0696 k = 0.1250 0.5000 0.3273 ( 6512 PWs) bands (ev): -27.0478 -27.0478 -27.0477 -27.0477 -11.0108 -11.0108 -10.8881 -10.8881 -10.7339 -10.7339 -10.5426 -10.5426 -10.4908 -10.4908 -10.4535 -10.4535 -10.1937 -10.1937 -10.0987 -10.0987 -3.8966 -3.8966 -2.7924 -2.7924 -1.2221 -1.2221 -0.4653 -0.4653 -0.4217 -0.4217 -0.0556 -0.0556 0.1252 0.1252 0.3993 0.3993 1.0209 1.0209 1.0936 1.0936 1.2862 1.2862 1.3526 1.3526 1.4909 1.4909 1.5357 1.5357 1.6070 1.6070 1.7109 1.7109 2.1381 2.1381 2.2279 2.2279 5.4839 5.4839 5.7320 5.7320 6.0634 6.0634 7.2403 7.2403 8.0621 8.0621 8.1038 8.1038 k = 0.1406 0.5000 0.3273 ( 6504 PWs) bands (ev): -27.0478 -27.0478 -27.0477 -27.0477 -11.0092 -11.0092 -10.8908 -10.8908 -10.7318 -10.7318 -10.5477 -10.5477 -10.4903 -10.4903 -10.4550 -10.4550 -10.1876 -10.1876 -10.0976 -10.0976 -3.8959 -3.8959 -2.8741 -2.8741 -1.1208 -1.1208 -0.4642 -0.4642 -0.4253 -0.4253 -0.0803 -0.0803 0.0956 0.0956 0.4019 0.4019 1.0644 1.0644 1.1262 1.1262 1.2879 1.2879 1.3569 1.3569 1.4973 1.4973 1.5359 1.5359 1.6156 1.6156 1.7096 1.7096 2.1372 2.1372 2.2289 2.2289 5.4274 5.4274 5.7310 5.7310 5.9847 5.9847 7.1667 7.1667 8.1260 8.1260 8.1422 8.1422 k = 0.1562 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0477 -27.0477 -27.0477 -27.0477 -11.0075 -11.0075 -10.8937 -10.8937 -10.7295 -10.7295 -10.5531 -10.5531 -10.4898 -10.4898 -10.4565 -10.4565 -10.1812 -10.1812 -10.0963 -10.0963 -3.8953 -3.8953 -2.9536 -2.9536 -1.0198 -1.0198 -0.4635 -0.4635 -0.4289 -0.4289 -0.1052 -0.1052 0.0659 0.0659 0.4046 0.4046 1.1089 1.1089 1.1578 1.1578 1.2896 1.2896 1.3627 1.3627 1.5036 1.5036 1.5360 1.5360 1.6263 1.6263 1.7090 1.7090 2.1361 2.1361 2.2300 2.2300 5.3687 5.3687 5.7299 5.7299 5.9034 5.9034 7.0869 7.0869 8.1846 8.1846 8.1910 8.1910 k = 0.1719 0.5000 0.3273 ( 6512 PWs) bands (ev): -27.0477 -27.0477 -27.0476 -27.0476 -11.0057 -11.0057 -10.8968 -10.8968 -10.7271 -10.7271 -10.5585 -10.5585 -10.4893 -10.4893 -10.4581 -10.4581 -10.1747 -10.1747 -10.0949 -10.0949 -3.8946 -3.8946 -3.0306 -3.0306 -0.9194 -0.9194 -0.4633 -0.4633 -0.4324 -0.4324 -0.1296 -0.1296 0.0365 0.0365 0.4075 0.4075 1.1536 1.1536 1.1875 1.1875 1.2914 1.2914 1.3710 1.3710 1.5095 1.5095 1.5362 1.5362 1.6385 1.6385 1.7102 1.7102 2.1349 2.1349 2.2313 2.2313 5.3089 5.3089 5.7285 5.7285 5.8203 5.8203 7.0026 7.0026 8.2309 8.2309 8.2564 8.2564 k = 0.1875 0.5000 0.3273 ( 6508 PWs) bands (ev): -27.0477 -27.0477 -27.0476 -27.0476 -11.0038 -11.0038 -10.9001 -10.9001 -10.7244 -10.7244 -10.5641 -10.5641 -10.4888 -10.4888 -10.4597 -10.4597 -10.1680 -10.1680 -10.0935 -10.0935 -3.8938 -3.8938 -3.1050 -3.1050 -0.8199 -0.8199 -0.4639 -0.4639 -0.4355 -0.4355 -0.1533 -0.1533 0.0075 0.0075 0.4104 0.4104 1.1968 1.1968 1.2148 1.2148 1.2933 1.2933 1.3826 1.3826 1.5147 1.5147 1.5364 1.5364 1.6506 1.6506 1.7154 1.7154 2.1337 2.1337 2.2327 2.2327 5.2485 5.2485 5.7243 5.7243 5.7387 5.7387 6.9153 6.9153 8.2809 8.2809 8.3217 8.3217 k = 0.2031 0.5000 0.3273 ( 6512 PWs) bands (ev): -27.0476 -27.0476 -27.0476 -27.0476 -11.0018 -11.0018 -10.9035 -10.9035 -10.7217 -10.7217 -10.5697 -10.5697 -10.4884 -10.4884 -10.4613 -10.4613 -10.1613 -10.1613 -10.0920 -10.0920 -3.8930 -3.8930 -3.1767 -3.1767 -0.7217 -0.7217 -0.4654 -0.4654 -0.4383 -0.4383 -0.1760 -0.1760 -0.0208 -0.0208 0.4135 0.4135 1.2321 1.2321 1.2436 1.2436 1.2952 1.2952 1.3993 1.3993 1.5191 1.5191 1.5366 1.5366 1.6597 1.6597 1.7275 1.7275 2.1323 2.1323 2.2343 2.2343 5.1882 5.1882 5.6499 5.6499 5.7264 5.7264 6.8263 6.8263 8.3343 8.3343 8.3866 8.3866 k = 0.2188 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0476 -27.0476 -27.0475 -27.0475 -10.9998 -10.9998 -10.9070 -10.9070 -10.7188 -10.7188 -10.5753 -10.5753 -10.4879 -10.4879 -10.4629 -10.4629 -10.1546 -10.1546 -10.0904 -10.0904 -3.8922 -3.8922 -3.2455 -3.2455 -0.6250 -0.6250 -0.4680 -0.4680 -0.4406 -0.4406 -0.1973 -0.1973 -0.0482 -0.0482 0.4166 0.4166 1.2527 1.2527 1.2779 1.2779 1.2976 1.2976 1.4223 1.4223 1.5228 1.5228 1.5369 1.5369 1.6645 1.6645 1.7481 1.7481 2.1308 2.1308 2.2360 2.2360 5.1287 5.1287 5.5648 5.5648 5.7244 5.7244 6.7365 6.7365 8.3908 8.3908 8.4508 8.4508 k = 0.2344 0.5000 0.3273 ( 6524 PWs) bands (ev): -27.0476 -27.0476 -27.0475 -27.0475 -10.9976 -10.9976 -10.9107 -10.9107 -10.7159 -10.7159 -10.5808 -10.5808 -10.4875 -10.4875 -10.4645 -10.4645 -10.1480 -10.1480 -10.0888 -10.0888 -3.8914 -3.8914 -3.3113 -3.3113 -0.5302 -0.5302 -0.4714 -0.4714 -0.4428 -0.4428 -0.2170 -0.2170 -0.0746 -0.0746 0.4197 0.4197 1.2671 1.2671 1.2967 1.2967 1.3122 1.3122 1.4519 1.4519 1.5258 1.5258 1.5372 1.5372 1.6666 1.6666 1.7756 1.7756 2.1293 2.1293 2.2378 2.2378 5.0703 5.0703 5.4799 5.4799 5.7223 5.7223 6.6468 6.6468 8.4502 8.4502 8.5142 8.5142 k = 0.2500 0.5000 0.3273 ( 6536 PWs) bands (ev): -27.0475 -27.0475 -27.0475 -27.0475 -10.9955 -10.9955 -10.9143 -10.9143 -10.7128 -10.7128 -10.5863 -10.5863 -10.4872 -10.4872 -10.4660 -10.4660 -10.1416 -10.1416 -10.0872 -10.0872 -3.8906 -3.8906 -3.3739 -3.3739 -0.4757 -0.4757 -0.4478 -0.4478 -0.4347 -0.4347 -0.2347 -0.2347 -0.0999 -0.0999 0.4229 0.4229 1.2774 1.2774 1.2993 1.2993 1.3380 1.3380 1.4859 1.4859 1.5281 1.5281 1.5378 1.5378 1.6686 1.6686 1.8078 1.8078 2.1278 2.1278 2.2397 2.2397 5.0136 5.0136 5.3957 5.3957 5.7201 5.7201 6.5578 6.5578 8.5121 8.5121 8.5765 8.5765 k = 0.2656 0.5000 0.3273 ( 6524 PWs) bands (ev): -27.0475 -27.0475 -27.0474 -27.0474 -10.9933 -10.9933 -10.9180 -10.9180 -10.7096 -10.7096 -10.5916 -10.5916 -10.4868 -10.4868 -10.4675 -10.4675 -10.1352 -10.1352 -10.0856 -10.0856 -3.8897 -3.8897 -3.4334 -3.4334 -0.4800 -0.4800 -0.4490 -0.4490 -0.3469 -0.3469 -0.2500 -0.2500 -0.1239 -0.1239 0.4259 0.4259 1.2848 1.2848 1.3013 1.3013 1.3606 1.3606 1.5190 1.5190 1.5302 1.5302 1.5398 1.5398 1.6736 1.6736 1.8432 1.8432 2.1263 2.1263 2.2416 2.2416 4.9590 4.9590 5.3126 5.3126 5.7178 5.7178 6.4703 6.4703 8.5760 8.5760 8.6378 8.6378 k = 0.2812 0.5000 0.3273 ( 6500 PWs) bands (ev): -27.0474 -27.0474 -27.0474 -27.0474 -10.9911 -10.9911 -10.9217 -10.9217 -10.7064 -10.7064 -10.5968 -10.5968 -10.4864 -10.4864 -10.4689 -10.4689 -10.1291 -10.1291 -10.0840 -10.0840 -3.8889 -3.8889 -3.4895 -3.4895 -0.4846 -0.4846 -0.4528 -0.4528 -0.2720 -0.2720 -0.2513 -0.2513 -0.1462 -0.1462 0.4289 0.4289 1.2900 1.2900 1.3031 1.3031 1.3803 1.3803 1.5310 1.5310 1.5350 1.5350 1.5544 1.5544 1.6860 1.6860 1.8806 1.8806 2.1248 2.1248 2.2436 2.2436 4.9067 4.9067 5.2310 5.2310 5.7152 5.7152 6.3847 6.3847 8.6415 8.6415 8.6980 8.6980 k = 0.2969 0.5000 0.3273 ( 6500 PWs) bands (ev): -27.0474 -27.0474 -27.0473 -27.0473 -10.9890 -10.9890 -10.9254 -10.9254 -10.7031 -10.7031 -10.6020 -10.6020 -10.4860 -10.4860 -10.4704 -10.4704 -10.1233 -10.1233 -10.0825 -10.0825 -3.8881 -3.8881 -3.5421 -3.5421 -0.4892 -0.4892 -0.4576 -0.4576 -0.2771 -0.2771 -0.1811 -0.1811 -0.1594 -0.1594 0.4318 0.4318 1.2937 1.2937 1.3047 1.3047 1.3978 1.3978 1.5322 1.5322 1.5367 1.5367 1.5716 1.5716 1.7100 1.7100 1.9190 1.9190 2.1235 2.1235 2.2456 2.2456 4.8572 4.8572 5.1514 5.1514 5.7125 5.7125 6.3017 6.3017 8.7079 8.7079 8.7569 8.7569 k = 0.3125 0.5000 0.3273 ( 6500 PWs) bands (ev): -27.0473 -27.0473 -27.0473 -27.0473 -10.9868 -10.9868 -10.9290 -10.9290 -10.6997 -10.6997 -10.6069 -10.6069 -10.4857 -10.4857 -10.4717 -10.4717 -10.1177 -10.1177 -10.0811 -10.0811 -3.8873 -3.8873 -3.5913 -3.5913 -0.4939 -0.4939 -0.4634 -0.4634 -0.2858 -0.2858 -0.1900 -0.1900 -0.0898 -0.0898 0.4346 0.4346 1.2965 1.2965 1.3061 1.3061 1.4136 1.4136 1.5329 1.5329 1.5374 1.5374 1.5789 1.5789 1.7449 1.7449 1.9575 1.9575 2.1223 2.1223 2.2475 2.2475 4.8107 4.8107 5.0743 5.0743 5.7097 5.7097 6.2217 6.2217 8.7744 8.7744 8.8146 8.8146 k = 0.3281 0.5000 0.3273 ( 6504 PWs) bands (ev): -27.0473 -27.0473 -27.0473 -27.0473 -10.9847 -10.9847 -10.9326 -10.9326 -10.6963 -10.6963 -10.6118 -10.6118 -10.4854 -10.4854 -10.4730 -10.4730 -10.1125 -10.1125 -10.0797 -10.0797 -3.8865 -3.8865 -3.6369 -3.6369 -0.4984 -0.4984 -0.4699 -0.4699 -0.2929 -0.2929 -0.2080 -0.2080 -0.0130 -0.0130 0.4373 0.4373 1.2986 1.2986 1.3074 1.3074 1.4279 1.4279 1.5331 1.5331 1.5380 1.5380 1.5791 1.5791 1.7861 1.7861 1.9954 1.9954 2.1215 2.1215 2.2494 2.2494 4.7675 4.7675 5.0001 5.0001 5.7068 5.7068 6.1453 6.1453 8.8403 8.8403 8.8709 8.8709 k = 0.3438 0.5000 0.3273 ( 6520 PWs) bands (ev): -27.0473 -27.0473 -27.0472 -27.0472 -10.9826 -10.9826 -10.9360 -10.9360 -10.6929 -10.6929 -10.6165 -10.6165 -10.4851 -10.4851 -10.4743 -10.4743 -10.1075 -10.1075 -10.0785 -10.0785 -3.8858 -3.8858 -3.6788 -3.6788 -0.5027 -0.5027 -0.4770 -0.4770 -0.2982 -0.2982 -0.2250 -0.2250 0.0599 0.0599 0.4398 0.4398 1.3003 1.3003 1.3084 1.3084 1.4407 1.4407 1.5330 1.5330 1.5386 1.5386 1.5755 1.5755 1.8298 1.8298 2.0316 2.0316 2.1214 2.1214 2.2511 2.2511 4.7277 4.7277 4.9293 4.9293 5.7039 5.7039 6.0729 6.0729 8.9044 8.9044 8.9256 8.9256 k = 0.3594 0.5000 0.3273 ( 6524 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9806 -10.9806 -10.9394 -10.9394 -10.6895 -10.6895 -10.6210 -10.6210 -10.4848 -10.4848 -10.4754 -10.4754 -10.1029 -10.1029 -10.0774 -10.0774 -3.8852 -3.8852 -3.7170 -3.7170 -0.5067 -0.5067 -0.4843 -0.4843 -0.3021 -0.3021 -0.2405 -0.2405 0.1283 0.1283 0.4421 0.4421 1.3018 1.3018 1.3092 1.3092 1.4524 1.4524 1.5323 1.5323 1.5392 1.5392 1.5701 1.5701 1.8737 1.8737 2.0645 2.0645 2.1230 2.1230 2.2527 2.2527 4.6916 4.6916 4.8625 4.8625 5.7010 5.7010 6.0050 6.0050 8.9656 8.9656 8.9784 8.9784 k = 0.3750 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9785 -10.9785 -10.9426 -10.9426 -10.6860 -10.6860 -10.6254 -10.6254 -10.4845 -10.4845 -10.4765 -10.4765 -10.0986 -10.0986 -10.0764 -10.0764 -3.8846 -3.8846 -3.7512 -3.7512 -0.5104 -0.5104 -0.4915 -0.4915 -0.3048 -0.3048 -0.2545 -0.2545 0.1916 0.1916 0.4442 0.4442 1.3031 1.3031 1.3098 1.3098 1.4628 1.4628 1.5310 1.5310 1.5399 1.5399 1.5640 1.5640 1.9162 1.9162 2.0900 2.0900 2.1302 2.1302 2.2542 2.2542 4.6593 4.6593 4.8002 4.8002 5.6982 5.6982 5.9423 5.9423 9.0230 9.0230 9.0290 9.0290 k = 0.3906 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9766 -10.9766 -10.9456 -10.9456 -10.6825 -10.6825 -10.6297 -10.6297 -10.4842 -10.4842 -10.4775 -10.4775 -10.0947 -10.0947 -10.0757 -10.0757 -3.8840 -3.8840 -3.7817 -3.7817 -0.5138 -0.5138 -0.4985 -0.4985 -0.3066 -0.3066 -0.2669 -0.2669 0.2492 0.2492 0.4461 0.4461 1.3042 1.3042 1.3103 1.3103 1.4720 1.4720 1.5288 1.5288 1.5406 1.5406 1.5583 1.5583 1.9562 1.9562 2.1021 2.1021 2.1483 2.1483 2.2555 2.2555 4.6308 4.6308 4.7431 4.7431 5.6955 5.6955 5.8853 5.8853 9.0749 9.0749 9.0775 9.0775 k = 0.4062 0.5000 0.3273 ( 6532 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9746 -10.9746 -10.9486 -10.9486 -10.6789 -10.6789 -10.6339 -10.6339 -10.4840 -10.4840 -10.4784 -10.4784 -10.0911 -10.0911 -10.0751 -10.0751 -3.8835 -3.8835 -3.8082 -3.8082 -0.5168 -0.5168 -0.5050 -0.5050 -0.3078 -0.3078 -0.2777 -0.2777 0.3007 0.3007 0.4477 0.4477 1.3052 1.3052 1.3106 1.3106 1.4798 1.4798 1.5253 1.5253 1.5413 1.5413 1.5535 1.5535 1.9930 1.9930 2.1055 2.1055 2.1719 2.1719 2.2565 2.2565 4.6062 4.6062 4.6917 4.6917 5.6930 5.6930 5.8344 5.8344 9.1201 9.1201 9.1237 9.1237 k = 0.4219 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9727 -10.9727 -10.9513 -10.9513 -10.6754 -10.6754 -10.6380 -10.6380 -10.4837 -10.4837 -10.4792 -10.4792 -10.0879 -10.0879 -10.0748 -10.0748 -3.8831 -3.8831 -3.8307 -3.8307 -0.5193 -0.5193 -0.5107 -0.5107 -0.3085 -0.3085 -0.2868 -0.2868 0.3455 0.3455 0.4491 0.4491 1.3062 1.3062 1.3108 1.3108 1.4864 1.4864 1.5207 1.5207 1.5421 1.5421 1.5502 1.5502 2.0257 2.0257 2.1065 2.1065 2.1948 2.1948 2.2573 2.2573 4.5855 4.5855 4.6469 4.6469 5.6908 5.6908 5.7903 5.7903 9.1602 9.1602 9.1646 9.1646 k = 0.4375 0.5000 0.3273 ( 6516 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9708 -10.9708 -10.9539 -10.9539 -10.6718 -10.6718 -10.6420 -10.6420 -10.4834 -10.4834 -10.4799 -10.4799 -10.0851 -10.0851 -10.0747 -10.0747 -3.8827 -3.8827 -3.8491 -3.8491 -0.5215 -0.5215 -0.5155 -0.5155 -0.3089 -0.3089 -0.2943 -0.2943 0.3831 0.3831 0.4503 0.4503 1.3071 1.3071 1.3109 1.3109 1.4918 1.4918 1.5156 1.5156 1.5429 1.5429 1.5481 1.5481 2.0536 2.0536 2.1067 2.1067 2.2148 2.2148 2.2579 2.2579 4.5687 4.5687 4.6091 4.6091 5.6889 5.6889 5.7534 5.7534 9.1950 9.1950 9.1990 9.1990 k = 0.4531 0.5000 0.3273 ( 6520 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9689 -10.9689 -10.9563 -10.9563 -10.6682 -10.6682 -10.6459 -10.6459 -10.4831 -10.4831 -10.4806 -10.4806 -10.0826 -10.0826 -10.0749 -10.0749 -3.8824 -3.8824 -3.8635 -3.8635 -0.5231 -0.5231 -0.5194 -0.5194 -0.3090 -0.3090 -0.3002 -0.3002 0.4130 0.4130 0.4512 0.4512 1.3079 1.3079 1.3108 1.3108 1.4959 1.4959 1.5107 1.5107 1.5437 1.5437 1.5468 1.5468 2.0762 2.0762 2.1066 2.1066 2.2310 2.2310 2.2581 2.2581 4.5557 4.5557 4.5790 4.5790 5.6873 5.6873 5.7241 5.7241 9.2234 9.2234 9.2263 9.2263 k = 0.4688 0.5000 0.3273 ( 6508 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9670 -10.9670 -10.9587 -10.9587 -10.6646 -10.6646 -10.6497 -10.6497 -10.4828 -10.4828 -10.4811 -10.4811 -10.0805 -10.0805 -10.0754 -10.0754 -3.8822 -3.8822 -3.8738 -3.8738 -0.5243 -0.5243 -0.5223 -0.5223 -0.3091 -0.3091 -0.3045 -0.3045 0.4347 0.4347 0.4519 0.4519 1.3087 1.3087 1.3106 1.3106 1.4989 1.4989 1.5067 1.5067 1.5443 1.5443 1.5461 1.5461 2.0927 2.0927 2.1065 2.1065 2.2431 2.2431 2.2580 2.2580 4.5465 4.5465 4.5571 4.5571 5.6862 5.6862 5.7029 5.7029 9.2446 9.2446 9.2462 9.2462 k = 0.4844 0.5000 0.3273 ( 6508 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9650 -10.9650 -10.9609 -10.9609 -10.6609 -10.6609 -10.6535 -10.6535 -10.4824 -10.4824 -10.4816 -10.4816 -10.0787 -10.0787 -10.0762 -10.0762 -3.8821 -3.8821 -3.8800 -3.8800 -0.5249 -0.5249 -0.5241 -0.5241 -0.3089 -0.3089 -0.3071 -0.3071 0.4479 0.4479 0.4523 0.4523 1.3093 1.3093 1.3103 1.3103 1.5008 1.5008 1.5039 1.5039 1.5448 1.5448 1.5456 1.5456 2.1028 2.1028 2.1064 2.1064 2.2510 2.2510 2.2573 2.2573 4.5410 4.5410 4.5437 4.5437 5.6855 5.6855 5.6900 5.6900 9.2578 9.2578 9.2582 9.2582 k = 0.5000 0.5000 0.3273 ( 6472 PWs) bands (ev): -27.0470 -27.0470 -27.0470 -27.0470 -10.9629 -10.9629 -10.9629 -10.9629 -10.6572 -10.6572 -10.6572 -10.6572 -10.4820 -10.4820 -10.4820 -10.4820 -10.0773 -10.0773 -10.0773 -10.0773 -3.8820 -3.8820 -3.8820 -3.8820 -0.5249 -0.5249 -0.5248 -0.5248 -0.3085 -0.3085 -0.3084 -0.3084 0.4524 0.4524 0.4524 0.4524 1.3099 1.3099 1.3099 1.3099 1.5022 1.5022 1.5023 1.5023 1.5453 1.5453 1.5453 1.5453 2.1064 2.1064 2.1064 2.1064 2.2554 2.2554 2.2555 2.2555 4.5392 4.5392 4.5392 4.5392 5.6855 5.6855 5.6855 5.6855 9.2622 9.2622 9.2623 9.2623 k = 0.5000 0.5000 0.3273 ( 6472 PWs) bands (ev): -27.0470 -27.0470 -27.0470 -27.0470 -10.9629 -10.9629 -10.9629 -10.9629 -10.6572 -10.6572 -10.6572 -10.6572 -10.4820 -10.4820 -10.4820 -10.4820 -10.0773 -10.0773 -10.0773 -10.0773 -3.8820 -3.8820 -3.8820 -3.8820 -0.5249 -0.5249 -0.5248 -0.5248 -0.3085 -0.3085 -0.3084 -0.3084 0.4524 0.4524 0.4524 0.4524 1.3099 1.3099 1.3099 1.3099 1.5022 1.5022 1.5023 1.5023 1.5453 1.5453 1.5453 1.5453 2.1064 2.1064 2.1064 2.1064 2.2554 2.2554 2.2555 2.2555 4.5392 4.5392 4.5392 4.5392 5.6855 5.6855 5.6855 5.6855 9.2622 9.2622 9.2623 9.2623 k = 0.4891 0.4891 0.3273 ( 6500 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9650 -10.9650 -10.9609 -10.9609 -10.6609 -10.6609 -10.6536 -10.6536 -10.4824 -10.4824 -10.4816 -10.4816 -10.0787 -10.0787 -10.0762 -10.0762 -3.8811 -3.8811 -3.8811 -3.8811 -0.5249 -0.5249 -0.5241 -0.5241 -0.3088 -0.3088 -0.3072 -0.3072 0.4501 0.4501 0.4503 0.4503 1.3093 1.3093 1.3103 1.3103 1.5010 1.5010 1.5037 1.5037 1.5449 1.5449 1.5456 1.5456 2.1043 2.1043 2.1051 2.1051 2.2514 2.2514 2.2571 2.2571 4.5420 4.5420 4.5425 4.5425 5.6867 5.6867 5.6887 5.6887 9.2579 9.2579 9.2583 9.2583 k = 0.4783 0.4783 0.3273 ( 6508 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9669 -10.9669 -10.9588 -10.9588 -10.6644 -10.6644 -10.6499 -10.6499 -10.4828 -10.4828 -10.4812 -10.4812 -10.0804 -10.0804 -10.0754 -10.0754 -3.8782 -3.8782 -3.8781 -3.8781 -0.5241 -0.5241 -0.5225 -0.5225 -0.3084 -0.3084 -0.3052 -0.3052 0.4435 0.4435 0.4437 0.4437 1.3087 1.3087 1.3106 1.3106 1.5000 1.5000 1.5056 1.5056 1.5445 1.5445 1.5458 1.5458 2.0991 2.0991 2.1006 2.1006 2.2451 2.2451 2.2563 2.2563 4.5509 4.5509 4.5519 4.5519 5.6923 5.6923 5.6963 5.6963 9.2455 9.2455 9.2463 9.2463 k = 0.4674 0.4674 0.3273 ( 6516 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9687 -10.9687 -10.9566 -10.9566 -10.6680 -10.6680 -10.6462 -10.6462 -10.4831 -10.4831 -10.4807 -10.4807 -10.0824 -10.0824 -10.0750 -10.0750 -3.8733 -3.8733 -3.8732 -3.8732 -0.5225 -0.5225 -0.5202 -0.5202 -0.3072 -0.3072 -0.3024 -0.3024 0.4325 0.4325 0.4328 0.4328 1.3079 1.3079 1.3108 1.3108 1.4993 1.4993 1.5077 1.5077 1.5440 1.5440 1.5461 1.5461 2.0908 2.0908 2.0928 2.0928 2.2365 2.2365 2.2531 2.2531 4.5657 4.5657 4.5673 4.5673 5.7022 5.7022 5.7082 5.7082 9.2253 9.2253 9.2264 9.2264 k = 0.4565 0.4565 0.3273 ( 6516 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9704 -10.9704 -10.9543 -10.9543 -10.6714 -10.6714 -10.6424 -10.6424 -10.4833 -10.4833 -10.4801 -10.4801 -10.0848 -10.0848 -10.0749 -10.0749 -3.8665 -3.8665 -3.8664 -3.8664 -0.5201 -0.5201 -0.5170 -0.5170 -0.3051 -0.3051 -0.2988 -0.2988 0.4173 0.4173 0.4177 0.4177 1.3071 1.3071 1.3109 1.3109 1.4986 1.4986 1.5100 1.5100 1.5436 1.5436 1.5464 1.5464 2.0798 2.0798 2.0818 2.0818 2.2259 2.2259 2.2476 2.2476 4.5864 4.5864 4.5886 4.5886 5.7164 5.7164 5.7244 5.7244 9.1979 9.1979 9.1993 9.1993 k = 0.4457 0.4457 0.3273 ( 6520 PWs) bands (ev): -27.0471 -27.0471 -27.0471 -27.0471 -10.9720 -10.9720 -10.9520 -10.9520 -10.6748 -10.6748 -10.6387 -10.6387 -10.4835 -10.4835 -10.4795 -10.4795 -10.0874 -10.0874 -10.0751 -10.0751 -3.8577 -3.8577 -3.8576 -3.8576 -0.5169 -0.5169 -0.5131 -0.5131 -0.3023 -0.3023 -0.2943 -0.2943 0.3980 0.3980 0.3985 0.3985 1.3062 1.3062 1.3108 1.3108 1.4978 1.4978 1.5124 1.5124 1.5431 1.5431 1.5467 1.5467 2.0661 2.0661 2.0679 2.0679 2.2132 2.2132 2.2396 2.2396 4.6128 4.6128 4.6156 4.6156 5.7348 5.7348 5.7447 5.7447 9.1641 9.1641 9.1657 9.1657 k = 0.4348 0.4348 0.3273 ( 6522 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9736 -10.9736 -10.9497 -10.9497 -10.6781 -10.6781 -10.6349 -10.6349 -10.4836 -10.4836 -10.4788 -10.4788 -10.0904 -10.0904 -10.0756 -10.0756 -3.8470 -3.8470 -3.8468 -3.8468 -0.5129 -0.5129 -0.5083 -0.5083 -0.2986 -0.2986 -0.2891 -0.2891 0.3748 0.3748 0.3753 0.3753 1.3053 1.3053 1.3106 1.3106 1.4967 1.4967 1.5147 1.5147 1.5425 1.5425 1.5470 1.5470 2.0501 2.0501 2.0511 2.0511 2.1985 2.1985 2.2294 2.2294 4.6448 4.6448 4.6481 4.6481 5.7573 5.7573 5.7691 5.7691 9.1247 9.1247 9.1264 9.1264 k = 0.4239 0.4239 0.3273 ( 6522 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9750 -10.9750 -10.9473 -10.9473 -10.6812 -10.6812 -10.6311 -10.6311 -10.4837 -10.4837 -10.4780 -10.4780 -10.0936 -10.0936 -10.0765 -10.0765 -3.8344 -3.8344 -3.8342 -3.8342 -0.5081 -0.5081 -0.5028 -0.5028 -0.2941 -0.2941 -0.2831 -0.2831 0.3479 0.3479 0.3484 0.3484 1.3042 1.3042 1.3103 1.3103 1.4952 1.4952 1.5169 1.5169 1.5420 1.5420 1.5473 1.5473 2.0318 2.0318 2.0320 2.0320 2.1820 2.1820 2.2170 2.2170 4.6820 4.6820 4.6859 4.6859 5.7838 5.7838 5.7974 5.7974 9.0807 9.0807 9.0826 9.0826 k = 0.4130 0.4130 0.3273 ( 6512 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9764 -10.9764 -10.9449 -10.9449 -10.6843 -10.6843 -10.6273 -10.6273 -10.4837 -10.4837 -10.4773 -10.4773 -10.0971 -10.0971 -10.0776 -10.0776 -3.8198 -3.8198 -3.8196 -3.8196 -0.5025 -0.5025 -0.4965 -0.4965 -0.2888 -0.2888 -0.2763 -0.2763 0.3174 0.3174 0.3179 0.3179 1.3031 1.3031 1.3099 1.3099 1.4929 1.4929 1.5189 1.5189 1.5414 1.5414 1.5474 1.5474 2.0102 2.0102 2.0122 2.0122 2.1637 2.1637 2.2027 2.2027 4.7242 4.7242 4.7289 4.7289 5.8140 5.8140 5.8294 5.8294 9.0332 9.0332 9.0351 9.0351 k = 0.4022 0.4022 0.3273 ( 6520 PWs) bands (ev): -27.0472 -27.0472 -27.0472 -27.0472 -10.9776 -10.9776 -10.9425 -10.9425 -10.6873 -10.6873 -10.6236 -10.6236 -10.4837 -10.4837 -10.4764 -10.4764 -10.1009 -10.1009 -10.0791 -10.0791 -3.8034 -3.8034 -3.8031 -3.8031 -0.4961 -0.4961 -0.4895 -0.4895 -0.2828 -0.2828 -0.2688 -0.2688 0.2835 0.2835 0.2840 0.2840 1.3019 1.3019 1.3093 1.3093 1.4898 1.4898 1.5204 1.5204 1.5408 1.5408 1.5475 1.5475 1.9866 1.9866 1.9906 1.9906 2.1440 2.1440 2.1866 2.1866 4.7713 4.7713 4.7766 4.7766 5.8479 5.8479 5.8650 5.8650 8.9830 8.9830 8.9849 8.9849 k = 0.3913 0.3913 0.3273 ( 6512 PWs) bands (ev): -27.0473 -27.0473 -27.0473 -27.0473 -10.9787 -10.9787 -10.9401 -10.9401 -10.6900 -10.6900 -10.6198 -10.6198 -10.4836 -10.4836 -10.4755 -10.4755 -10.1049 -10.1049 -10.0809 -10.0809 -3.7850 -3.7850 -3.7848 -3.7848 -0.4889 -0.4889 -0.4816 -0.4816 -0.2760 -0.2760 -0.2605 -0.2605 0.2465 0.2465 0.2469 0.2469 1.3006 1.3006 1.3086 1.3086 1.4856 1.4856 1.5215 1.5215 1.5403 1.5403 1.5472 1.5472 1.9611 1.9611 1.9677 1.9677 2.1229 2.1229 2.1689 2.1689 4.8229 4.8229 4.8289 4.8289 5.8853 5.8853 5.9040 5.9040 8.9310 8.9310 8.9329 8.9329 k = 0.3804 0.3804 0.3273 ( 6510 PWs) bands (ev): -27.0473 -27.0473 -27.0473 -27.0473 -10.9797 -10.9797 -10.9377 -10.9377 -10.6927 -10.6927 -10.6161 -10.6161 -10.4834 -10.4834 -10.4746 -10.4746 -10.1092 -10.1092 -10.0829 -10.0829 -3.7648 -3.7648 -3.7645 -3.7645 -0.4809 -0.4809 -0.4730 -0.4730 -0.2684 -0.2684 -0.2515 -0.2515 0.2065 0.2065 0.2068 0.2068 1.2992 1.2992 1.3078 1.3078 1.4801 1.4801 1.5220 1.5220 1.5396 1.5396 1.5466 1.5466 1.9341 1.9341 1.9436 1.9436 2.1006 2.1006 2.1499 2.1499 4.8789 4.8789 4.8856 4.8856 5.9260 5.9260 5.9462 5.9462 8.8779 8.8779 8.8798 8.8798 k = 0.3696 0.3696 0.3273 ( 6510 PWs) bands (ev): -27.0473 -27.0473 -27.0473 -27.0473 -10.9807 -10.9807 -10.9354 -10.9354 -10.6951 -10.6951 -10.6124 -10.6124 -10.4832 -10.4832 -10.4736 -10.4736 -10.1137 -10.1137 -10.0853 -10.0853 -3.7428 -3.7428 -3.7424 -3.7424 -0.4721 -0.4721 -0.4636 -0.4636 -0.2601 -0.2601 -0.2418 -0.2418 0.1638 0.1638 0.1640 0.1640 1.2977 1.2977 1.3067 1.3067 1.4732 1.4732 1.5220 1.5220 1.5390 1.5390 1.5455 1.5455 1.9057 1.9057 1.9185 1.9185 2.0774 2.0774 2.1298 2.1298 4.9389 4.9389 4.9463 4.9463 5.9697 5.9697 5.9913 5.9913 8.8243 8.8243 8.8261 8.8261 k = 0.3587 0.3587 0.3273 ( 6520 PWs) bands (ev): -27.0474 -27.0474 -27.0474 -27.0474 -10.9815 -10.9815 -10.9331 -10.9331 -10.6974 -10.6974 -10.6088 -10.6088 -10.4830 -10.4830 -10.4726 -10.4726 -10.1185 -10.1185 -10.0880 -10.0880 -3.7189 -3.7189 -3.7185 -3.7185 -0.4626 -0.4626 -0.4535 -0.4535 -0.2510 -0.2510 -0.2315 -0.2315 0.1185 0.1185 0.1186 0.1186 1.2960 1.2960 1.3055 1.3055 1.4647 1.4647 1.5214 1.5214 1.5383 1.5383 1.5438 1.5438 1.8760 1.8760 1.8925 1.8925 2.0536 2.0536 2.1090 2.1090 5.0027 5.0027 5.0108 5.0108 6.0163 6.0163 6.0393 6.0393 8.7707 8.7707 8.7724 8.7724 k = 0.3478 0.3478 0.3273 ( 6512 PWs) bands (ev): -27.0474 -27.0474 -27.0474 -27.0474 -10.9822 -10.9822 -10.9309 -10.9309 -10.6994 -10.6994 -10.6052 -10.6052 -10.4826 -10.4826 -10.4715 -10.4715 -10.1234 -10.1234 -10.0909 -10.0909 -3.6932 -3.6932 -3.6928 -3.6928 -0.4524 -0.4524 -0.4427 -0.4427 -0.2413 -0.2413 -0.2205 -0.2205 0.0707 0.0707 0.0711 0.0711 1.2943 1.2943 1.3040 1.3040 1.4547 1.4547 1.5199 1.5199 1.5377 1.5377 1.5417 1.5417 1.8454 1.8454 1.8657 1.8657 2.0294 2.0294 2.0877 2.0877 5.0701 5.0701 5.0790 5.0790 6.0655 6.0655 6.0898 6.0898 8.7175 8.7175 8.7192 8.7192 k = 0.3370 0.3370 0.3273 ( 6522 PWs) bands (ev): -27.0475 -27.0475 -27.0475 -27.0475 -10.9828 -10.9828 -10.9288 -10.9288 -10.7012 -10.7012 -10.6017 -10.6017 -10.4822 -10.4822 -10.4704 -10.4704 -10.1285 -10.1285 -10.0941 -10.0941 -3.6657 -3.6657 -3.6653 -3.6653 -0.4415 -0.4415 -0.4312 -0.4312 -0.2310 -0.2310 -0.2090 -0.2090 0.0208 0.0208 0.0215 0.0215 1.2924 1.2924 1.3023 1.3023 1.4430 1.4430 1.5172 1.5172 1.5369 1.5369 1.5393 1.5393 1.8138 1.8138 1.8382 1.8382 2.0051 2.0051 2.0663 2.0663 5.1409 5.1409 5.1506 5.1506 6.1171 6.1171 6.1426 6.1426 8.6651 8.6651 8.6667 8.6667 k = 0.3261 0.3261 0.3273 ( 6526 PWs) bands (ev): -27.0475 -27.0475 -27.0475 -27.0475 -10.9833 -10.9833 -10.9269 -10.9269 -10.7028 -10.7028 -10.5983 -10.5983 -10.4818 -10.4818 -10.4692 -10.4692 -10.1339 -10.1339 -10.0976 -10.0976 -3.6365 -3.6365 -3.6360 -3.6360 -0.4300 -0.4300 -0.4191 -0.4191 -0.2201 -0.2201 -0.1971 -0.1971 -0.0309 -0.0309 -0.0297 -0.0297 1.2902 1.2902 1.3004 1.3004 1.4297 1.4297 1.5131 1.5131 1.5360 1.5360 1.5367 1.5367 1.7814 1.7814 1.8099 1.8099 1.9811 1.9811 2.0449 2.0449 5.2149 5.2149 5.2253 5.2253 6.1709 6.1709 6.1975 6.1975 8.6137 8.6137 8.6153 8.6153 k = 0.3152 0.3152 0.3273 ( 6522 PWs) bands (ev): -27.0476 -27.0476 -27.0476 -27.0476 -10.9836 -10.9836 -10.9250 -10.9250 -10.7040 -10.7040 -10.5949 -10.5949 -10.4812 -10.4812 -10.4680 -10.4680 -10.1393 -10.1393 -10.1013 -10.1013 -3.6055 -3.6055 -3.6050 -3.6050 -0.4181 -0.4181 -0.4066 -0.4066 -0.2091 -0.2091 -0.1854 -0.1854 -0.0838 -0.0838 -0.0817 -0.0817 1.2878 1.2878 1.2981 1.2981 1.4149 1.4149 1.5072 1.5072 1.5343 1.5343 1.5351 1.5351 1.7484 1.7484 1.7810 1.7810 1.9575 1.9575 2.0239 2.0239 5.2918 5.2918 5.3030 5.3030 6.2266 6.2266 6.2543 6.2543 8.5635 8.5635 8.5651 8.5651 k = 0.3043 0.3043 0.3273 ( 6514 PWs) bands (ev): -27.0476 -27.0476 -27.0476 -27.0476 -10.9839 -10.9839 -10.9234 -10.9234 -10.7050 -10.7050 -10.5917 -10.5917 -10.4805 -10.4805 -10.4667 -10.4667 -10.1449 -10.1449 -10.1053 -10.1053 -3.5728 -3.5728 -3.5723 -3.5723 -0.4062 -0.4062 -0.3940 -0.3940 -0.1994 -0.1994 -0.1774 -0.1774 -0.1360 -0.1360 -0.1304 -0.1304 1.2851 1.2851 1.2955 1.2955 1.3986 1.3986 1.4993 1.4993 1.5321 1.5321 1.5341 1.5341 1.7148 1.7148 1.7515 1.7515 1.9348 1.9348 2.0035 2.0035 5.3716 5.3716 5.3836 5.3836 6.2840 6.2840 6.3127 6.3127 8.5147 8.5147 8.5163 8.5163 k = 0.2935 0.2935 0.3273 ( 6518 PWs) bands (ev): -27.0477 -27.0477 -27.0477 -27.0477 -10.9841 -10.9841 -10.9219 -10.9219 -10.7056 -10.7056 -10.5886 -10.5886 -10.4797 -10.4797 -10.4654 -10.4654 -10.1507 -10.1507 -10.1095 -10.1095 -3.5384 -3.5384 -3.5379 -3.5379 -0.3952 -0.3952 -0.3819 -0.3819 -0.2084 -0.2084 -0.2015 -0.2015 -0.1690 -0.1690 -0.1466 -0.1466 1.2819 1.2819 1.2924 1.2924 1.3810 1.3810 1.4894 1.4894 1.5300 1.5300 1.5330 1.5330 1.6809 1.6809 1.7214 1.7214 1.9129 1.9129 1.9837 1.9837 5.4540 5.4540 5.4667 5.4667 6.3428 6.3428 6.3723 6.3723 8.4675 8.4675 8.4690 8.4690 k = 0.2826 0.2826 0.3273 ( 6516 PWs) bands (ev): -27.0477 -27.0477 -27.0477 -27.0477 -10.9841 -10.9841 -10.9206 -10.9206 -10.7059 -10.7059 -10.5856 -10.5856 -10.4788 -10.4788 -10.4641 -10.4641 -10.1565 -10.1565 -10.1139 -10.1139 -3.5023 -3.5023 -3.5018 -3.5018 -0.3876 -0.3876 -0.3731 -0.3731 -0.2537 -0.2537 -0.2491 -0.2491 -0.1630 -0.1630 -0.1360 -0.1360 1.2781 1.2781 1.2888 1.2888 1.3623 1.3623 1.4776 1.4776 1.5277 1.5277 1.5317 1.5317 1.6469 1.6469 1.6908 1.6908 1.8922 1.8922 1.9647 1.9647 5.5388 5.5388 5.5523 5.5523 6.4027 6.4027 6.4331 6.4331 8.4220 8.4220 8.4235 8.4235 k = 0.2717 0.2717 0.3273 ( 6516 PWs) bands (ev): -27.0478 -27.0478 -27.0478 -27.0478 -10.9841 -10.9841 -10.9195 -10.9195 -10.7058 -10.7058 -10.5828 -10.5828 -10.4778 -10.4778 -10.4627 -10.4627 -10.1624 -10.1624 -10.1185 -10.1185 -3.4647 -3.4647 -3.4641 -3.4641 -0.3919 -0.3919 -0.3777 -0.3777 -0.2926 -0.2926 -0.2886 -0.2886 -0.1500 -0.1500 -0.1218 -0.1218 1.2734 1.2734 1.2845 1.2845 1.3430 1.3430 1.4641 1.4641 1.5249 1.5249 1.5303 1.5303 1.6134 1.6134 1.6598 1.6598 1.8728 1.8728 1.9465 1.9465 5.6259 5.6259 5.6401 5.6401 6.4635 6.4635 6.4945 6.4945 8.3782 8.3782 8.3797 8.3797 k = 0.2609 0.2609 0.3273 ( 6516 PWs) bands (ev): -27.0478 -27.0478 -27.0478 -27.0478 -10.9840 -10.9840 -10.9186 -10.9186 -10.7053 -10.7053 -10.5803 -10.5803 -10.4767 -10.4767 -10.4612 -10.4612 -10.1683 -10.1683 -10.1233 -10.1233 -3.4254 -3.4254 -3.4248 -3.4248 -0.4225 -0.4225 -0.4132 -0.4132 -0.3030 -0.3030 -0.3021 -0.3021 -0.1356 -0.1356 -0.1065 -0.1065 1.2671 1.2671 1.2795 1.2795 1.3238 1.3238 1.4489 1.4489 1.5204 1.5204 1.5285 1.5285 1.5818 1.5818 1.6289 1.6289 1.8547 1.8547 1.9293 1.9293 5.7150 5.7150 5.7301 5.7301 6.5248 6.5248 6.5565 6.5565 8.3362 8.3362 8.3378 8.3378 k = 0.2500 0.2500 0.3273 ( 6512 PWs) bands (ev): -27.0479 -27.0479 -27.0479 -27.0479 -10.9837 -10.9837 -10.9180 -10.9180 -10.7045 -10.7045 -10.5779 -10.5779 -10.4754 -10.4754 -10.4598 -10.4598 -10.1743 -10.1743 -10.1283 -10.1283 -3.3845 -3.3845 -3.3839 -3.3839 -0.4738 -0.4738 -0.4683 -0.4683 -0.2974 -0.2974 -0.2930 -0.2930 -0.1203 -0.1203 -0.0905 -0.0905 1.2581 1.2581 1.2735 1.2735 1.3056 1.3056 1.4319 1.4319 1.5110 1.5110 1.5261 1.5261 1.5556 1.5556 1.5984 1.5984 1.8380 1.8380 1.9129 1.9129 5.8062 5.8062 5.8219 5.8219 6.5864 6.5864 6.6186 6.6186 8.2961 8.2961 8.2978 8.2978 k = 0.2391 0.2391 0.3273 ( 6504 PWs) bands (ev): -27.0479 -27.0479 -27.0479 -27.0479 -10.9833 -10.9833 -10.9176 -10.9176 -10.7032 -10.7032 -10.5758 -10.5758 -10.4739 -10.4739 -10.4583 -10.4583 -10.1803 -10.1803 -10.1334 -10.1334 -3.3422 -3.3422 -3.3415 -3.3415 -0.5334 -0.5334 -0.5298 -0.5298 -0.2840 -0.2840 -0.2780 -0.2780 -0.1043 -0.1043 -0.0740 -0.0740 1.2452 1.2452 1.2664 1.2664 1.2900 1.2900 1.4129 1.4129 1.4919 1.4919 1.5219 1.5219 1.5405 1.5405 1.5698 1.5698 1.8225 1.8225 1.8974 1.8974 5.8991 5.8991 5.9155 5.9155 6.6480 6.6480 6.6805 6.6805 8.2580 8.2580 8.2598 8.2598 k = 0.2283 0.2283 0.3273 ( 6508 PWs) bands (ev): -27.0480 -27.0480 -27.0480 -27.0480 -10.9829 -10.9829 -10.9175 -10.9175 -10.7016 -10.7016 -10.5740 -10.5740 -10.4724 -10.4724 -10.4568 -10.4568 -10.1862 -10.1862 -10.1387 -10.1387 -3.2983 -3.2983 -3.2976 -3.2976 -0.5966 -0.5966 -0.5941 -0.5941 -0.2674 -0.2674 -0.2607 -0.2607 -0.0878 -0.0878 -0.0572 -0.0572 1.2277 1.2277 1.2579 1.2579 1.2773 1.2773 1.3912 1.3912 1.4667 1.4667 1.5124 1.5124 1.5339 1.5339 1.5470 1.5470 1.8084 1.8084 1.8827 1.8827 5.9936 5.9936 6.0107 6.0107 6.7091 6.7091 6.7418 6.7418 8.2219 8.2219 8.2238 8.2238 k = 0.2174 0.2174 0.3273 ( 6512 PWs) bands (ev): -27.0480 -27.0480 -27.0480 -27.0480 -10.9823 -10.9823 -10.9177 -10.9177 -10.6996 -10.6996 -10.5724 -10.5724 -10.4706 -10.4706 -10.4553 -10.4553 -10.1921 -10.1921 -10.1441 -10.1441 -3.2530 -3.2530 -3.2523 -3.2523 -0.6618 -0.6618 -0.6600 -0.6600 -0.2490 -0.2490 -0.2421 -0.2421 -0.0708 -0.0708 -0.0399 -0.0399 1.2069 1.2069 1.2477 1.2477 1.2662 1.2662 1.3661 1.3661 1.4420 1.4420 1.4926 1.4926 1.5304 1.5304 1.5354 1.5354 1.7954 1.7954 1.8687 1.8687 6.0895 6.0895 6.1073 6.1073 6.7695 6.7695 6.8024 6.8024 8.1878 8.1878 8.1899 8.1899 k = 0.2065 0.2065 0.3273 ( 6504 PWs) bands (ev): -27.0481 -27.0481 -27.0481 -27.0481 -10.9816 -10.9816 -10.9180 -10.9180 -10.6973 -10.6973 -10.5711 -10.5711 -10.4687 -10.4687 -10.4537 -10.4537 -10.1979 -10.1979 -10.1497 -10.1497 -3.2063 -3.2063 -3.2055 -3.2055 -0.7285 -0.7285 -0.7271 -0.7271 -0.2294 -0.2294 -0.2226 -0.2226 -0.0533 -0.0533 -0.0224 -0.0224 1.1840 1.1840 1.2358 1.2358 1.2551 1.2551 1.3372 1.3372 1.4208 1.4208 1.4675 1.4675 1.5281 1.5281 1.5306 1.5306 1.7836 1.7836 1.8554 1.8554 6.1867 6.1867 6.2051 6.2051 6.8289 6.8289 6.8617 6.8617 8.1558 8.1558 8.1581 8.1581 k = 0.1957 0.1957 0.3273 ( 6500 PWs) bands (ev): -27.0481 -27.0481 -27.0481 -27.0481 -10.9809 -10.9809 -10.9186 -10.9186 -10.6945 -10.6945 -10.5702 -10.5702 -10.4666 -10.4666 -10.4522 -10.4522 -10.2036 -10.2036 -10.1553 -10.1553 -3.1581 -3.1581 -3.1574 -3.1574 -0.7961 -0.7961 -0.7952 -0.7952 -0.2089 -0.2089 -0.2024 -0.2024 -0.0354 -0.0354 -0.0046 -0.0046 1.1602 1.1602 1.2220 1.2220 1.2427 1.2427 1.3053 1.3053 1.4033 1.4033 1.4424 1.4424 1.5263 1.5263 1.5278 1.5278 1.7728 1.7728 1.8428 1.8428 6.2848 6.2848 6.3038 6.3038 6.8869 6.8869 6.9194 6.9194 8.1260 8.1260 8.1285 8.1285 k = 0.1848 0.1848 0.3273 ( 6502 PWs) bands (ev): -27.0482 -27.0482 -27.0482 -27.0482 -10.9800 -10.9800 -10.9195 -10.9195 -10.6914 -10.6914 -10.5696 -10.5696 -10.4644 -10.4644 -10.4506 -10.4506 -10.2091 -10.2091 -10.1610 -10.1610 -3.1087 -3.1087 -3.1079 -3.1079 -0.8646 -0.8646 -0.8639 -0.8639 -0.1878 -0.1878 -0.1817 -0.1817 -0.0172 -0.0172 0.0133 0.0133 1.1358 1.1358 1.2063 1.2063 1.2281 1.2281 1.2712 1.2712 1.3892 1.3892 1.4194 1.4194 1.5247 1.5247 1.5257 1.5257 1.7630 1.7630 1.8308 1.8308 6.3837 6.3837 6.4032 6.4032 6.9431 6.9431 6.9752 6.9752 8.0984 8.0984 8.1011 8.1011 k = 0.1739 0.1739 0.3273 ( 6502 PWs) bands (ev): -27.0482 -27.0482 -27.0482 -27.0482 -10.9791 -10.9791 -10.9205 -10.9205 -10.6880 -10.6880 -10.5694 -10.5694 -10.4621 -10.4621 -10.4491 -10.4491 -10.2145 -10.2145 -10.1668 -10.1668 -3.0579 -3.0579 -3.0571 -3.0571 -0.9336 -0.9336 -0.9333 -0.9333 -0.1660 -0.1660 -0.1606 -0.1606 0.0013 0.0013 0.0312 0.0312 1.1112 1.1112 1.1889 1.1889 1.2108 1.2108 1.2361 1.2361 1.3776 1.3776 1.3993 1.3993 1.5232 1.5232 1.5239 1.5239 1.7540 1.7540 1.8194 1.8194 6.4830 6.4830 6.5030 6.5030 6.9974 6.9974 7.0288 7.0288 8.0731 8.0731 8.0762 8.0762 k = 0.1630 0.1630 0.3273 ( 6494 PWs) bands (ev): -27.0483 -27.0483 -27.0483 -27.0483 -10.9780 -10.9780 -10.9217 -10.9217 -10.6843 -10.6843 -10.5695 -10.5695 -10.4597 -10.4597 -10.4475 -10.4475 -10.2196 -10.2196 -10.1726 -10.1726 -3.0059 -3.0059 -3.0051 -3.0051 -1.0032 -1.0032 -1.0030 -1.0030 -0.1438 -0.1438 -0.1391 -0.1391 0.0201 0.0201 0.0491 0.0491 1.0867 1.0867 1.1698 1.1698 1.1907 1.1907 1.2008 1.2008 1.3681 1.3681 1.3825 1.3825 1.5219 1.5219 1.5223 1.5223 1.7460 1.7460 1.8086 1.8086 6.5825 6.5825 6.6029 6.6029 7.0493 7.0493 7.0798 7.0798 8.0504 8.0504 8.0536 8.0536 k = 0.1522 0.1522 0.3273 ( 6486 PWs) bands (ev): -27.0483 -27.0483 -27.0483 -27.0483 -10.9769 -10.9769 -10.9231 -10.9231 -10.6803 -10.6803 -10.5700 -10.5700 -10.4571 -10.4571 -10.4460 -10.4460 -10.2244 -10.2244 -10.1784 -10.1784 -2.9527 -2.9527 -2.9518 -2.9518 -1.0731 -1.0731 -1.0731 -1.0731 -0.1213 -0.1213 -0.1175 -0.1175 0.0390 0.0390 0.0670 0.0670 1.0625 1.0625 1.1485 1.1485 1.1665 1.1665 1.1680 1.1680 1.3602 1.3602 1.3688 1.3688 1.5206 1.5206 1.5208 1.5208 1.7387 1.7387 1.7983 1.7983 6.6817 6.6817 6.7024 6.7024 7.0986 7.0986 7.1280 7.1280 8.0302 8.0302 8.0338 8.0338 k = 0.1413 0.1413 0.3273 ( 6470 PWs) bands (ev): -27.0483 -27.0483 -27.0483 -27.0483 -10.9756 -10.9756 -10.9247 -10.9247 -10.6760 -10.6760 -10.5708 -10.5708 -10.4546 -10.4546 -10.4444 -10.4444 -10.2289 -10.2289 -10.1842 -10.1842 -2.8984 -2.8984 -2.8975 -2.8975 -1.1434 -1.1434 -1.1432 -1.1432 -0.0986 -0.0986 -0.0958 -0.0958 0.0580 0.0580 0.0846 0.0846 1.0386 1.0386 1.1223 1.1223 1.1368 1.1368 1.1433 1.1433 1.3537 1.3537 1.3580 1.3580 1.5194 1.5194 1.5194 1.5194 1.7323 1.7323 1.7885 1.7885 6.7801 6.7801 6.8010 6.8010 7.1452 7.1452 7.1731 7.1731 8.0129 8.0129 8.0167 8.0167 k = 0.1304 0.1304 0.3273 ( 6474 PWs) bands (ev): -27.0484 -27.0484 -27.0484 -27.0484 -10.9743 -10.9743 -10.9264 -10.9264 -10.6715 -10.6715 -10.5720 -10.5720 -10.4520 -10.4520 -10.4430 -10.4430 -10.2331 -10.2331 -10.1899 -10.1899 -2.8430 -2.8430 -2.8420 -2.8420 -1.2138 -1.2138 -1.2134 -1.2134 -0.0758 -0.0758 -0.0743 -0.0743 0.0769 0.0769 0.1018 0.1018 1.0153 1.0153 1.0901 1.0901 1.1131 1.1131 1.1174 1.1174 1.3480 1.3480 1.3494 1.3494 1.5181 1.5181 1.5182 1.5182 1.7265 1.7265 1.7792 1.7792 6.8773 6.8773 6.8980 6.8980 7.1889 7.1889 7.2150 7.2150 7.9987 7.9987 8.0026 8.0026 k = 0.1196 0.1196 0.3273 ( 6468 PWs) bands (ev): -27.0484 -27.0484 -27.0484 -27.0484 -10.9729 -10.9729 -10.9283 -10.9283 -10.6668 -10.6668 -10.5736 -10.5736 -10.4495 -10.4495 -10.4415 -10.4415 -10.2369 -10.2369 -10.1956 -10.1956 -2.7865 -2.7865 -2.7856 -2.7856 -1.2841 -1.2841 -1.2836 -1.2836 -0.0533 -0.0533 -0.0529 -0.0529 0.0957 0.0957 0.1187 0.1187 0.9926 0.9926 1.0567 1.0567 1.0909 1.0909 1.0913 1.0913 1.3427 1.3427 1.3432 1.3432 1.5168 1.5168 1.5171 1.5171 1.7215 1.7215 1.7705 1.7705 6.9723 6.9723 6.9926 6.9926 7.2297 7.2297 7.2535 7.2535 7.9879 7.9879 7.9920 7.9920 k = 0.1087 0.1087 0.3273 ( 6480 PWs) bands (ev): -27.0485 -27.0485 -27.0485 -27.0485 -10.9714 -10.9714 -10.9302 -10.9302 -10.6620 -10.6620 -10.5755 -10.5755 -10.4470 -10.4470 -10.4401 -10.4401 -10.2402 -10.2402 -10.2012 -10.2012 -2.7292 -2.7292 -2.7283 -2.7283 -1.3542 -1.3542 -1.3537 -1.3537 -0.0320 -0.0320 -0.0311 -0.0311 0.1142 0.1142 0.1349 0.1349 0.9706 0.9706 1.0240 1.0240 1.0646 1.0646 1.0701 1.0701 1.3373 1.3373 1.3391 1.3391 1.5156 1.5156 1.5160 1.5160 1.7172 1.7172 1.7623 1.7623 7.0642 7.0642 7.0833 7.0833 7.2680 7.2680 7.2890 7.2890 7.9812 7.9812 7.9852 7.9852 k = 0.0978 0.0978 0.3273 ( 6482 PWs) bands (ev): -27.0485 -27.0485 -27.0485 -27.0485 -10.9698 -10.9698 -10.9323 -10.9323 -10.6570 -10.6570 -10.5778 -10.5778 -10.4446 -10.4446 -10.4388 -10.4388 -10.2431 -10.2431 -10.2067 -10.2067 -2.6711 -2.6711 -2.6702 -2.6702 -1.4241 -1.4241 -1.4234 -1.4234 -0.0117 -0.0117 -0.0094 -0.0094 0.1323 0.1323 0.1504 0.1504 0.9495 0.9495 0.9926 0.9926 1.0392 1.0392 1.0495 1.0495 1.3330 1.3330 1.3355 1.3355 1.5145 1.5145 1.5150 1.5150 1.7136 1.7136 1.7546 1.7546 7.1513 7.1513 7.1681 7.1681 7.3047 7.3047 7.3216 7.3216 7.9791 7.9791 7.9828 7.9828 k = 0.0870 0.0870 0.3273 ( 6486 PWs) bands (ev): -27.0485 -27.0485 -27.0485 -27.0485 -10.9681 -10.9681 -10.9344 -10.9344 -10.6519 -10.6519 -10.5804 -10.5804 -10.4424 -10.4424 -10.4375 -10.4375 -10.2455 -10.2455 -10.2121 -10.2121 -2.6123 -2.6123 -2.6114 -2.6114 -1.4934 -1.4934 -1.4927 -1.4927 0.0078 0.0078 0.0113 0.0113 0.1496 0.1496 0.1650 0.1650 0.9294 0.9294 0.9629 0.9629 1.0154 1.0154 1.0297 1.0297 1.3295 1.3295 1.3324 1.3324 1.5135 1.5135 1.5140 1.5140 1.7107 1.7107 1.7475 1.7475 7.2310 7.2310 7.2429 7.2429 7.3424 7.3424 7.3529 7.3529 7.9827 7.9827 7.9856 7.9856 k = 0.0761 0.0761 0.3273 ( 6474 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9663 -10.9663 -10.9366 -10.9366 -10.6468 -10.6468 -10.5833 -10.5833 -10.4403 -10.4403 -10.4364 -10.4364 -10.2474 -10.2474 -10.2172 -10.2172 -2.5531 -2.5531 -2.5521 -2.5521 -1.5620 -1.5620 -1.5612 -1.5612 0.0262 0.0262 0.0307 0.0307 0.1660 0.1660 0.1786 0.1786 0.9103 0.9103 0.9352 0.9352 0.9936 0.9936 1.0110 1.0110 1.3268 1.3268 1.3297 1.3297 1.5127 1.5127 1.5132 1.5132 1.7084 1.7084 1.7409 1.7409 7.2985 7.2985 7.3011 7.3011 7.3860 7.3860 7.3862 7.3862 7.9929 7.9929 7.9946 7.9946 k = 0.0652 0.0652 0.3273 ( 6476 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9645 -10.9645 -10.9388 -10.9388 -10.6416 -10.6416 -10.5865 -10.5865 -10.4384 -10.4384 -10.4353 -10.4353 -10.2487 -10.2487 -10.2221 -10.2221 -2.4938 -2.4938 -2.4928 -2.4928 -1.6296 -1.6296 -1.6287 -1.6287 0.0433 0.0433 0.0486 0.0486 0.1812 0.1812 0.1910 0.1910 0.8925 0.8925 0.9100 0.9100 0.9744 0.9744 0.9934 0.9934 1.3247 1.3247 1.3274 1.3274 1.5119 1.5119 1.5124 1.5124 1.7068 1.7068 1.7349 1.7349 7.3399 7.3399 7.3463 7.3463 7.4273 7.4273 7.4365 7.4365 8.0110 8.0110 8.0111 8.0111 k = 0.0543 0.0543 0.3273 ( 6480 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9626 -10.9626 -10.9410 -10.9410 -10.6364 -10.6364 -10.5900 -10.5900 -10.4368 -10.4368 -10.4344 -10.4344 -10.2494 -10.2494 -10.2267 -10.2267 -2.4347 -2.4347 -2.4337 -2.4337 -1.6956 -1.6956 -1.6947 -1.6947 0.0588 0.0588 0.0644 0.0644 0.1949 0.1949 0.2020 0.2020 0.8762 0.8762 0.8877 0.8877 0.9583 0.9583 0.9773 0.9773 1.3230 1.3230 1.3254 1.3254 1.5112 1.5112 1.5116 1.5116 1.7058 1.7058 1.7294 1.7294 7.3657 7.3657 7.3749 7.3749 7.4738 7.4738 7.4858 7.4858 8.0357 8.0357 8.0381 8.0381 k = 0.0435 0.0435 0.3273 ( 6488 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9606 -10.9606 -10.9433 -10.9433 -10.6312 -10.6312 -10.5938 -10.5938 -10.4354 -10.4354 -10.4336 -10.4336 -10.2496 -10.2496 -10.2311 -10.2311 -2.3768 -2.3768 -2.3759 -2.3759 -1.7592 -1.7592 -1.7583 -1.7583 0.0723 0.0723 0.0778 0.0778 0.2067 0.2067 0.2115 0.2115 0.8617 0.8617 0.8687 0.8687 0.9455 0.9455 0.9631 0.9631 1.3217 1.3217 1.3238 1.3238 1.5106 1.5106 1.5110 1.5110 1.7055 1.7055 1.7244 1.7244 7.3841 7.3841 7.3927 7.3927 7.5166 7.5166 7.5274 7.5274 8.0690 8.0690 8.0742 8.0742 k = 0.0326 0.0326 0.3273 ( 6480 PWs) bands (ev): -27.0486 -27.0486 -27.0486 -27.0486 -10.9586 -10.9586 -10.9455 -10.9455 -10.6260 -10.6260 -10.5978 -10.5978 -10.4343 -10.4343 -10.4331 -10.4331 -10.2491 -10.2491 -10.2350 -10.2350 -2.3215 -2.3215 -2.3206 -2.3206 -1.8188 -1.8188 -1.8180 -1.8180 0.0835 0.0835 0.0884 0.0884 0.2162 0.2162 0.2192 0.2192 0.8496 0.8496 0.8534 0.8534 0.9362 0.9362 0.9509 0.9509 1.3208 1.3208 1.3224 1.3224 1.5103 1.5103 1.5106 1.5106 1.7058 1.7058 1.7200 1.7200 7.3976 7.3976 7.4044 7.4044 7.5505 7.5505 7.5588 7.5588 8.1105 8.1105 8.1184 8.1184 k = 0.0217 0.0217 0.3273 ( 6484 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9565 -10.9565 -10.9478 -10.9478 -10.6210 -10.6210 -10.6021 -10.6021 -10.4334 -10.4334 -10.4327 -10.4327 -10.2481 -10.2481 -10.2386 -10.2386 -2.2720 -2.2720 -2.2712 -2.2712 -1.8714 -1.8714 -1.8707 -1.8707 0.0922 0.0922 0.0958 0.0958 0.2233 0.2233 0.2249 0.2249 0.8404 0.8404 0.8422 0.8422 0.9306 0.9306 0.9410 0.9410 1.3203 1.3203 1.3214 1.3214 1.5100 1.5100 1.5102 1.5102 1.7067 1.7067 1.7162 1.7162 7.4071 7.4071 7.4118 7.4118 7.5746 7.5746 7.5800 7.5800 8.1585 8.1585 8.1687 8.1687 k = 0.0109 0.0109 0.3273 ( 6490 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9544 -10.9544 -10.9500 -10.9500 -10.6160 -10.6160 -10.6065 -10.6065 -10.4328 -10.4328 -10.4325 -10.4325 -10.2465 -10.2465 -10.2417 -10.2417 -2.2345 -2.2345 -2.2340 -2.2340 -1.9106 -1.9106 -1.9101 -1.9101 0.0980 0.0980 0.0999 0.0999 0.2277 0.2277 0.2284 0.2284 0.8346 0.8346 0.8353 0.8353 0.9284 0.9284 0.9338 0.9338 1.3201 1.3201 1.3207 1.3207 1.5098 1.5098 1.5099 1.5099 1.7081 1.7081 1.7129 1.7129 7.4132 7.4132 7.4155 7.4155 7.5890 7.5890 7.5917 7.5917 8.2105 8.2105 8.2221 8.2221 k = 0.0000 0.0000 0.3273 ( 6494 PWs) bands (ev): -27.0487 -27.0487 -27.0487 -27.0487 -10.9522 -10.9522 -10.9522 -10.9522 -10.6112 -10.6112 -10.6112 -10.6112 -10.4325 -10.4325 -10.4325 -10.4325 -10.2444 -10.2444 -10.2444 -10.2444 -2.2196 -2.2196 -2.2196 -2.2196 -1.9256 -1.9256 -1.9256 -1.9256 0.1006 0.1006 0.1007 0.1007 0.2293 0.2293 0.2294 0.2294 0.8328 0.8328 0.8328 0.8328 0.9295 0.9295 0.9295 0.9295 1.3202 1.3202 1.3202 1.3202 1.5098 1.5098 1.5098 1.5098 1.7102 1.7102 1.7102 1.7102 7.4159 7.4159 7.4160 7.4160 7.5946 7.5946 7.5947 7.5947 8.2572 8.2572 8.2573 8.2573 k = 0.0000 0.5000-0.0000 ( 6520 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0123 -11.0123 -10.9934 -10.9934 -10.5995 -10.5995 -10.5943 -10.5943 -10.4221 -10.4221 -10.4033 -10.4033 -10.2706 -10.2706 -10.1212 -10.1212 -3.9016 -3.9016 -2.1698 -2.1698 -1.9176 -1.9176 -0.4228 -0.4228 -0.3829 -0.3829 -0.0695 -0.0695 0.3225 0.3225 0.4500 0.4500 0.8129 0.8129 0.9116 0.9116 1.1701 1.1701 1.2753 1.2753 1.3847 1.3847 1.5075 1.5075 1.5649 1.5649 2.0638 2.0638 2.1663 2.1663 2.2358 2.2358 5.3155 5.3155 5.8434 5.8434 6.1125 6.1125 7.5025 7.5025 7.7415 7.7415 7.9887 7.9887 k = 0.0000 0.5000 0.0156 ( 6522 PWs) bands (ev): -27.0592 -27.0592 -27.0365 -27.0365 -11.0126 -11.0126 -10.9927 -10.9927 -10.6031 -10.6031 -10.5910 -10.5910 -10.4222 -10.4222 -10.4039 -10.4039 -10.2702 -10.2702 -10.1211 -10.1211 -3.9016 -3.9016 -2.1698 -2.1698 -1.9176 -1.9176 -0.4229 -0.4229 -0.3833 -0.3833 -0.0686 -0.0686 0.3222 0.3222 0.4497 0.4497 0.8129 0.8129 0.9116 0.9116 1.1710 1.1710 1.2753 1.2753 1.3847 1.3847 1.5076 1.5076 1.5649 1.5649 2.0628 2.0628 2.1659 2.1659 2.2356 2.2356 5.3176 5.3176 5.8429 5.8429 6.1139 6.1139 7.5026 7.5026 7.7414 7.7414 7.9902 7.9902 k = 0.0000 0.5000 0.0312 ( 6514 PWs) bands (ev): -27.0591 -27.0591 -27.0366 -27.0366 -11.0133 -11.0133 -10.9907 -10.9907 -10.6087 -10.6087 -10.5862 -10.5862 -10.4226 -10.4226 -10.4057 -10.4057 -10.2689 -10.2689 -10.1208 -10.1208 -3.9016 -3.9016 -2.1699 -2.1699 -1.9176 -1.9176 -0.4234 -0.4234 -0.3844 -0.3844 -0.0661 -0.0661 0.3214 0.3214 0.4489 0.4489 0.8130 0.8130 0.9118 0.9118 1.1740 1.1740 1.2754 1.2754 1.3849 1.3849 1.5076 1.5076 1.5649 1.5649 2.0597 2.0597 2.1648 2.1648 2.2353 2.2353 5.3239 5.3239 5.8411 5.8411 6.1183 6.1183 7.5030 7.5030 7.7414 7.7414 7.9947 7.9947 k = 0.0000 0.5000 0.0468 ( 6506 PWs) bands (ev): -27.0589 -27.0589 -27.0368 -27.0368 -11.0142 -11.0142 -10.9877 -10.9877 -10.6147 -10.6147 -10.5814 -10.5814 -10.4232 -10.4232 -10.4087 -10.4087 -10.2668 -10.2668 -10.1202 -10.1202 -3.9015 -3.9015 -2.1700 -2.1700 -1.9176 -1.9176 -0.4241 -0.4241 -0.3862 -0.3862 -0.0620 -0.0620 0.3202 0.3202 0.4475 0.4475 0.8131 0.8131 0.9120 0.9120 1.1788 1.1788 1.2755 1.2755 1.3852 1.3852 1.5077 1.5077 1.5650 1.5650 2.0544 2.0544 2.1631 2.1631 2.2347 2.2347 5.3343 5.3343 5.8383 5.8383 6.1254 6.1254 7.5035 7.5035 7.7413 7.7413 8.0020 8.0020 k = 0.0000 0.5000 0.0623 ( 6506 PWs) bands (ev): -27.0587 -27.0587 -27.0370 -27.0370 -11.0151 -11.0151 -10.9838 -10.9838 -10.6211 -10.6211 -10.5767 -10.5767 -10.4241 -10.4241 -10.4126 -10.4126 -10.2641 -10.2641 -10.1195 -10.1195 -3.9014 -3.9014 -2.1701 -2.1701 -1.9176 -1.9176 -0.4253 -0.4253 -0.3885 -0.3885 -0.0564 -0.0564 0.3184 0.3184 0.4457 0.4457 0.8132 0.8132 0.9123 0.9123 1.1855 1.1855 1.2756 1.2756 1.3856 1.3856 1.5077 1.5077 1.5650 1.5650 2.0468 2.0468 2.1610 2.1610 2.2339 2.2339 5.3486 5.3486 5.8344 5.8344 6.1354 6.1354 7.5042 7.5042 7.7412 7.7412 8.0119 8.0119 k = 0.0000 0.5000 0.0779 ( 6498 PWs) bands (ev): -27.0584 -27.0584 -27.0372 -27.0372 -11.0159 -11.0159 -10.9791 -10.9791 -10.6278 -10.6278 -10.5722 -10.5722 -10.4252 -10.4252 -10.4173 -10.4173 -10.2609 -10.2609 -10.1187 -10.1187 -3.9013 -3.9013 -2.1702 -2.1702 -1.9176 -1.9176 -0.4269 -0.4269 -0.3910 -0.3910 -0.0495 -0.0495 0.3163 0.3163 0.4433 0.4433 0.8133 0.8133 0.9127 0.9127 1.1938 1.1938 1.2758 1.2758 1.3861 1.3861 1.5078 1.5078 1.5651 1.5651 2.0369 2.0369 2.1586 2.1586 2.2331 2.2331 5.3665 5.3665 5.8296 5.8296 6.1480 6.1480 7.5049 7.5049 7.7411 7.7411 8.0242 8.0242 k = 0.0000 0.5000 0.0935 ( 6492 PWs) bands (ev): -27.0581 -27.0581 -27.0376 -27.0376 -11.0166 -11.0166 -10.9739 -10.9739 -10.6349 -10.6349 -10.5678 -10.5678 -10.4264 -10.4264 -10.4227 -10.4227 -10.2574 -10.2574 -10.1176 -10.1176 -3.9011 -3.9011 -2.1704 -2.1704 -1.9176 -1.9176 -0.4290 -0.4290 -0.3936 -0.3936 -0.0416 -0.0416 0.3139 0.3139 0.4405 0.4405 0.8135 0.8135 0.9132 0.9132 1.2038 1.2038 1.2760 1.2760 1.3869 1.3869 1.5080 1.5080 1.5651 1.5651 2.0244 2.0244 2.1562 2.1562 2.2322 2.2322 5.3877 5.3877 5.8240 5.8240 6.1631 6.1631 7.5057 7.5057 7.7409 7.7409 8.0383 8.0383 k = 0.0000 0.5000 0.1091 ( 6490 PWs) bands (ev): -27.0577 -27.0577 -27.0380 -27.0380 -11.0172 -11.0172 -10.9681 -10.9681 -10.6423 -10.6423 -10.5636 -10.5636 -10.4285 -10.4285 -10.4278 -10.4278 -10.2537 -10.2537 -10.1165 -10.1165 -3.9010 -3.9010 -2.1706 -2.1706 -1.9176 -1.9176 -0.4317 -0.4317 -0.3960 -0.3960 -0.0328 -0.0328 0.3111 0.3111 0.4372 0.4372 0.8136 0.8136 0.9136 0.9136 1.2153 1.2153 1.2762 1.2762 1.3879 1.3879 1.5082 1.5082 1.5652 1.5652 2.0094 2.0094 2.1538 2.1538 2.2314 2.2314 5.4118 5.4118 5.8178 5.8178 6.1806 6.1806 7.5062 7.5062 7.7408 7.7408 8.0538 8.0538 k = 0.0000 0.5000 0.1247 ( 6488 PWs) bands (ev): -27.0572 -27.0572 -27.0384 -27.0384 -11.0176 -11.0176 -10.9617 -10.9617 -10.6501 -10.6501 -10.5594 -10.5594 -10.4345 -10.4345 -10.4294 -10.4294 -10.2499 -10.2499 -10.1153 -10.1153 -3.9008 -3.9008 -2.1708 -2.1708 -1.9176 -1.9176 -0.4349 -0.4349 -0.3981 -0.3981 -0.0233 -0.0233 0.3082 0.3082 0.4336 0.4336 0.8138 0.8138 0.9141 0.9141 1.2280 1.2280 1.2765 1.2765 1.3892 1.3892 1.5084 1.5084 1.5653 1.5653 1.9921 1.9921 2.1517 2.1517 2.2305 2.2305 5.4384 5.4384 5.8111 5.8111 6.2002 6.2002 7.5066 7.5066 7.7406 7.7406 8.0696 8.0696 k = 0.0000 0.5000 0.1403 ( 6494 PWs) bands (ev): -27.0567 -27.0567 -27.0390 -27.0390 -11.0179 -11.0179 -10.9548 -10.9548 -10.6582 -10.6582 -10.5554 -10.5554 -10.4406 -10.4406 -10.4311 -10.4311 -10.2461 -10.2461 -10.1140 -10.1140 -3.9006 -3.9006 -2.1711 -2.1711 -1.9176 -1.9176 -0.4386 -0.4386 -0.3999 -0.3999 -0.0134 -0.0134 0.3051 0.3051 0.4296 0.4296 0.8139 0.8139 0.9146 0.9146 1.2417 1.2417 1.2768 1.2768 1.3910 1.3910 1.5088 1.5088 1.5654 1.5654 1.9726 1.9726 2.1498 2.1498 2.2297 2.2297 5.4670 5.4670 5.8041 5.8041 6.2216 6.2216 7.5066 7.5066 7.7404 7.7404 8.0844 8.0844 k = 0.0000 0.5000 0.1558 ( 6512 PWs) bands (ev): -27.0562 -27.0562 -27.0396 -27.0396 -11.0180 -11.0180 -10.9476 -10.9476 -10.6665 -10.6665 -10.5515 -10.5515 -10.4469 -10.4469 -10.4329 -10.4329 -10.2425 -10.2425 -10.1126 -10.1126 -3.9004 -3.9004 -2.1713 -2.1713 -1.9176 -1.9176 -0.4426 -0.4426 -0.4013 -0.4013 -0.0031 -0.0031 0.3020 0.3020 0.4254 0.4254 0.8140 0.8140 0.9151 0.9151 1.2559 1.2559 1.2771 1.2771 1.3934 1.3934 1.5092 1.5092 1.5655 1.5655 1.9513 1.9513 2.1482 2.1482 2.2289 2.2289 5.4970 5.4970 5.7969 5.7969 6.2445 6.2445 7.5061 7.5061 7.7402 7.7402 8.0967 8.0967 k = 0.0000 0.5000 0.1714 ( 6508 PWs) bands (ev): -27.0556 -27.0556 -27.0402 -27.0402 -11.0181 -11.0181 -10.9399 -10.9399 -10.6751 -10.6751 -10.5477 -10.5477 -10.4530 -10.4530 -10.4347 -10.4347 -10.2390 -10.2390 -10.1113 -10.1113 -3.9002 -3.9002 -2.1716 -2.1716 -1.9175 -1.9175 -0.4467 -0.4467 -0.4024 -0.4024 0.0071 0.0071 0.2988 0.2988 0.4209 0.4209 0.8142 0.8142 0.9156 0.9156 1.2699 1.2699 1.2780 1.2780 1.3966 1.3966 1.5098 1.5098 1.5658 1.5658 1.9284 1.9284 2.1468 2.1468 2.2282 2.2282 5.5279 5.5279 5.7898 5.7898 6.2685 6.2685 7.5052 7.5052 7.7399 7.7399 8.1043 8.1043 k = 0.0000 0.5000 0.1870 ( 6502 PWs) bands (ev): -27.0549 -27.0549 -27.0408 -27.0408 -11.0180 -11.0180 -10.9320 -10.9320 -10.6839 -10.6839 -10.5440 -10.5440 -10.4590 -10.4590 -10.4365 -10.4365 -10.2357 -10.2357 -10.1100 -10.1100 -3.9000 -3.9000 -2.1718 -2.1718 -1.9175 -1.9175 -0.4509 -0.4509 -0.4032 -0.4032 0.0173 0.0173 0.2958 0.2958 0.4164 0.4164 0.8144 0.8144 0.9161 0.9161 1.2766 1.2766 1.2859 1.2859 1.4010 1.4010 1.5107 1.5107 1.5662 1.5662 1.9042 1.9042 2.1456 2.1456 2.2275 2.2275 5.5588 5.5588 5.7829 5.7829 6.2932 6.2932 7.5036 7.5036 7.7397 7.7397 8.1048 8.1048 k = 0.0000 0.5000 0.2026 ( 6484 PWs) bands (ev): -27.0542 -27.0542 -27.0415 -27.0415 -11.0179 -11.0179 -10.9238 -10.9238 -10.6928 -10.6928 -10.5403 -10.5403 -10.4648 -10.4648 -10.4382 -10.4382 -10.2327 -10.2327 -10.1088 -10.1088 -3.8998 -3.8998 -2.1721 -2.1721 -1.9175 -1.9175 -0.4549 -0.4549 -0.4039 -0.4039 0.0271 0.0271 0.2929 0.2929 0.4118 0.4118 0.8146 0.8146 0.9167 0.9167 1.2773 1.2773 1.2988 1.2988 1.4068 1.4068 1.5119 1.5119 1.5667 1.5667 1.8790 1.8790 2.1445 2.1445 2.2270 2.2270 5.5892 5.5892 5.7763 5.7763 6.3181 6.3181 7.5016 7.5016 7.7395 7.7395 8.0967 8.0967 k = 0.0000 0.5000 0.2182 ( 6484 PWs) bands (ev): -27.0535 -27.0535 -27.0422 -27.0422 -11.0178 -11.0178 -10.9157 -10.9157 -10.7017 -10.7017 -10.5367 -10.5367 -10.4703 -10.4703 -10.4398 -10.4398 -10.2300 -10.2300 -10.1076 -10.1076 -3.8997 -3.8997 -2.1723 -2.1723 -1.9175 -1.9175 -0.4587 -0.4587 -0.4044 -0.4044 0.0364 0.0364 0.2902 0.2902 0.4073 0.4073 0.8147 0.8147 0.9171 0.9171 1.2776 1.2776 1.3106 1.3106 1.4143 1.4143 1.5136 1.5136 1.5674 1.5674 1.8533 1.8533 2.1437 2.1437 2.2265 2.2265 5.6183 5.6183 5.7703 5.7703 6.3425 6.3425 7.4990 7.4990 7.7393 7.7393 8.0804 8.0804 k = 0.0000 0.5000 0.2338 ( 6482 PWs) bands (ev): -27.0528 -27.0528 -27.0429 -27.0429 -11.0176 -11.0176 -10.9076 -10.9076 -10.7103 -10.7103 -10.5332 -10.5332 -10.4755 -10.4755 -10.4414 -10.4414 -10.2276 -10.2276 -10.1066 -10.1066 -3.8995 -3.8995 -2.1725 -2.1725 -1.9175 -1.9175 -0.4621 -0.4621 -0.4047 -0.4047 0.0449 0.0449 0.2878 0.2878 0.4030 0.4030 0.8148 0.8148 0.9175 0.9175 1.2779 1.2779 1.3203 1.3203 1.4232 1.4232 1.5158 1.5158 1.5684 1.5684 1.8275 1.8275 2.1430 2.1430 2.2260 2.2260 5.6454 5.6454 5.7649 5.7649 6.3659 6.3659 7.4961 7.4961 7.7391 7.7391 8.0580 8.0580 k = 0.0000 0.5000 0.2494 ( 6486 PWs) bands (ev): -27.0520 -27.0520 -27.0437 -27.0437 -11.0175 -11.0175 -10.8998 -10.8998 -10.7186 -10.7186 -10.5299 -10.5299 -10.4804 -10.4804 -10.4427 -10.4427 -10.2256 -10.2256 -10.1056 -10.1056 -3.8994 -3.8994 -2.1727 -2.1727 -1.9175 -1.9175 -0.4652 -0.4652 -0.4050 -0.4050 0.0526 0.0526 0.2856 0.2856 0.3990 0.3990 0.8149 0.8149 0.9179 0.9179 1.2781 1.2781 1.3278 1.3278 1.4331 1.4331 1.5188 1.5188 1.5698 1.5698 1.8021 1.8021 2.1424 2.1424 2.2256 2.2256 5.6697 5.6697 5.7604 5.7604 6.3874 6.3874 7.4931 7.4931 7.7390 7.7390 8.0330 8.0330 k = 0.0000 0.5000 0.2649 ( 6496 PWs) bands (ev): -27.0512 -27.0512 -27.0445 -27.0445 -11.0173 -11.0173 -10.8927 -10.8927 -10.7262 -10.7262 -10.5267 -10.5267 -10.4848 -10.4848 -10.4439 -10.4439 -10.2239 -10.2239 -10.1049 -10.1049 -3.8993 -3.8993 -2.1728 -2.1728 -1.9175 -1.9175 -0.4677 -0.4677 -0.4052 -0.4052 0.0592 0.0592 0.2838 0.2838 0.3955 0.3955 0.8150 0.8150 0.9181 0.9181 1.2782 1.2782 1.3334 1.3334 1.4428 1.4428 1.5226 1.5226 1.5720 1.5720 1.7778 1.7778 2.1419 2.1419 2.2253 2.2253 5.6903 5.6903 5.7569 5.7569 6.4064 6.4064 7.4900 7.4900 7.7388 7.7388 8.0083 8.0083 k = 0.0000 0.5000 0.2805 ( 6492 PWs) bands (ev): -27.0504 -27.0504 -27.0453 -27.0453 -11.0172 -11.0172 -10.8865 -10.8865 -10.7328 -10.7328 -10.5237 -10.5237 -10.4887 -10.4887 -10.4448 -10.4448 -10.2226 -10.2226 -10.1042 -10.1042 -3.8992 -3.8992 -2.1729 -2.1729 -1.9175 -1.9175 -0.4698 -0.4698 -0.4054 -0.4054 0.0645 0.0645 0.2824 0.2824 0.3927 0.3927 0.8150 0.8150 0.9184 0.9184 1.2784 1.2784 1.3373 1.3373 1.4512 1.4512 1.5270 1.5270 1.5751 1.5751 1.7556 1.7556 2.1416 2.1416 2.2251 2.2251 5.7065 5.7065 5.7547 5.7547 6.4222 6.4222 7.4873 7.4873 7.7387 7.7387 7.9866 7.9866 k = 0.0000 0.5000 0.2961 ( 6496 PWs) bands (ev): -27.0496 -27.0496 -27.0462 -27.0462 -11.0171 -11.0171 -10.8816 -10.8816 -10.7379 -10.7379 -10.5212 -10.5212 -10.4919 -10.4919 -10.4455 -10.4455 -10.2216 -10.2216 -10.1038 -10.1038 -3.8991 -3.8991 -2.1730 -2.1730 -1.9175 -1.9175 -0.4712 -0.4712 -0.4054 -0.4054 0.0684 0.0684 0.2814 0.2814 0.3905 0.3905 0.8151 0.8151 0.9185 0.9185 1.2785 1.2785 1.3398 1.3398 1.4575 1.4575 1.5312 1.5312 1.5790 1.5790 1.7369 1.7369 2.1413 2.1413 2.2249 2.2249 5.7176 5.7176 5.7539 5.7539 6.4340 6.4340 7.4852 7.4852 7.7386 7.7386 7.9698 7.9698 k = 0.0000 0.5000 0.3117 ( 6496 PWs) bands (ev): -27.0487 -27.0487 -27.0470 -27.0470 -11.0170 -11.0170 -10.8784 -10.8784 -10.7412 -10.7412 -10.5194 -10.5194 -10.4941 -10.4941 -10.4460 -10.4460 -10.2210 -10.2210 -10.1035 -10.1035 -3.8990 -3.8990 -2.1731 -2.1731 -1.9175 -1.9175 -0.4721 -0.4721 -0.4055 -0.4055 0.0708 0.0708 0.2807 0.2807 0.3892 0.3892 0.8151 0.8151 0.9186 0.9186 1.2785 1.2785 1.3412 1.3412 1.4613 1.4613 1.5341 1.5341 1.5827 1.5827 1.7241 1.7241 2.1412 2.1412 2.2248 2.2248 5.7237 5.7237 5.7542 5.7542 6.4413 6.4413 7.4838 7.4838 7.7386 7.7386 7.9592 7.9592 k = 0.0000 0.5000 0.3273 ( 6484 PWs) bands (ev): -27.0479 -27.0479 -27.0478 -27.0478 -11.0170 -11.0170 -10.8773 -10.8773 -10.7423 -10.7423 -10.5188 -10.5188 -10.4949 -10.4949 -10.4461 -10.4461 -10.2208 -10.2208 -10.1034 -10.1034 -3.8990 -3.8990 -2.1731 -2.1731 -1.9175 -1.9175 -0.4724 -0.4724 -0.4055 -0.4055 0.0716 0.0716 0.2805 0.2805 0.3888 0.3888 0.8151 0.8151 0.9187 0.9187 1.2786 1.2786 1.3417 1.3417 1.4625 1.4625 1.5352 1.5352 1.5844 1.5844 1.7194 1.7194 2.1411 2.1411 2.2247 2.2247 5.7256 5.7256 5.7545 5.7545 6.4438 6.4438 7.4833 7.4833 7.7386 7.7386 7.9556 7.9556 k = 0.5000 0.5000-0.0000 ( 6500 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0070 -11.0070 -10.9059 -10.9059 -10.8234 -10.8234 -10.5414 -10.5414 -10.4635 -10.4635 -10.4367 -10.4367 -10.1220 -10.1220 -10.0534 -10.0534 -3.9833 -3.9833 -3.7782 -3.7782 -0.6684 -0.6684 -0.3936 -0.3936 -0.3110 -0.3110 -0.3043 -0.3043 0.4541 0.4541 0.4558 0.4558 1.1652 1.1652 1.3340 1.3340 1.3501 1.3501 1.5369 1.5369 1.5541 1.5541 1.9327 1.9327 2.0904 2.0904 2.1533 2.1533 2.2696 2.2696 2.2723 2.2723 4.3327 4.3327 4.4740 4.4740 4.4811 4.4811 7.5545 7.5545 8.5514 8.5514 8.5918 8.5918 k = 0.5000 0.5000 0.0156 ( 6496 PWs) bands (ev): -27.0583 -27.0583 -27.0358 -27.0358 -11.0069 -11.0069 -10.9062 -10.9062 -10.8228 -10.8228 -10.5412 -10.5412 -10.4648 -10.4648 -10.4362 -10.4362 -10.1218 -10.1218 -10.0534 -10.0534 -3.9830 -3.9830 -3.7785 -3.7785 -0.6680 -0.6680 -0.3940 -0.3940 -0.3110 -0.3110 -0.3043 -0.3043 0.4540 0.4540 0.4558 0.4558 1.1658 1.1658 1.3340 1.3340 1.3502 1.3502 1.5370 1.5370 1.5541 1.5541 1.9314 1.9314 2.0900 2.0900 2.1531 2.1531 2.2694 2.2694 2.2722 2.2722 4.3368 4.3368 4.4744 4.4744 4.4814 4.4814 7.5432 7.5432 8.5533 8.5533 8.6016 8.6016 k = 0.5000 0.5000 0.0312 ( 6512 PWs) bands (ev): -27.0582 -27.0582 -27.0359 -27.0359 -11.0066 -11.0066 -10.9070 -10.9070 -10.8210 -10.8210 -10.5408 -10.5408 -10.4682 -10.4682 -10.4349 -10.4349 -10.1214 -10.1214 -10.0536 -10.0536 -3.9822 -3.9822 -3.7794 -3.7794 -0.6667 -0.6667 -0.3950 -0.3950 -0.3110 -0.3110 -0.3044 -0.3044 0.4540 0.4540 0.4557 0.4557 1.1676 1.1676 1.3338 1.3338 1.3505 1.3505 1.5370 1.5370 1.5540 1.5540 1.9275 1.9275 2.0889 2.0889 2.1527 2.1527 2.2688 2.2688 2.2720 2.2720 4.3489 4.3489 4.4757 4.4757 4.4824 4.4824 7.5104 7.5104 8.5590 8.5590 8.6300 8.6300 k = 0.5000 0.5000 0.0468 ( 6512 PWs) bands (ev): -27.0580 -27.0580 -27.0361 -27.0361 -11.0060 -11.0060 -10.9084 -10.9084 -10.8181 -10.8181 -10.5402 -10.5402 -10.4733 -10.4733 -10.4334 -10.4334 -10.1206 -10.1206 -10.0538 -10.0538 -3.9808 -3.9808 -3.7808 -3.7808 -0.6647 -0.6647 -0.3967 -0.3967 -0.3110 -0.3110 -0.3045 -0.3045 0.4539 0.4539 0.4556 0.4556 1.1705 1.1705 1.3336 1.3336 1.3510 1.3510 1.5371 1.5371 1.5539 1.5539 1.9208 1.9208 2.0872 2.0872 2.1521 2.1521 2.2680 2.2680 2.2716 2.2716 4.3688 4.3688 4.4778 4.4778 4.4840 4.4840 7.4594 7.4594 8.5686 8.5686 8.6737 8.6737 k = 0.5000 0.5000 0.0623 ( 6504 PWs) bands (ev): -27.0578 -27.0578 -27.0363 -27.0363 -11.0051 -11.0051 -10.9102 -10.9102 -10.8142 -10.8142 -10.5392 -10.5392 -10.4795 -10.4795 -10.4320 -10.4320 -10.1195 -10.1195 -10.0541 -10.0541 -3.9789 -3.9789 -3.7829 -3.7829 -0.6618 -0.6618 -0.3991 -0.3991 -0.3109 -0.3109 -0.3046 -0.3046 0.4539 0.4539 0.4555 0.4555 1.1746 1.1746 1.3334 1.3334 1.3518 1.3518 1.5373 1.5373 1.5537 1.5537 1.9112 1.9112 2.0853 2.0853 2.1511 2.1511 2.2668 2.2668 2.2711 2.2711 4.3961 4.3961 4.4810 4.4810 4.4862 4.4862 7.3939 7.3939 8.5819 8.5819 8.7290 8.7290 k = 0.5000 0.5000 0.0779 ( 6508 PWs) bands (ev): -27.0575 -27.0575 -27.0366 -27.0366 -11.0040 -11.0040 -10.9124 -10.9124 -10.8094 -10.8094 -10.5380 -10.5380 -10.4866 -10.4866 -10.4311 -10.4311 -10.1181 -10.1181 -10.0545 -10.0545 -3.9764 -3.9764 -3.7855 -3.7855 -0.6581 -0.6581 -0.4022 -0.4022 -0.3109 -0.3109 -0.3048 -0.3048 0.4538 0.4538 0.4554 0.4554 1.1798 1.1798 1.3330 1.3330 1.3528 1.3528 1.5374 1.5374 1.5535 1.5535 1.8988 1.8988 2.0833 2.0833 2.1500 2.1500 2.2655 2.2655 2.2705 2.2705 4.4296 4.4296 4.4861 4.4861 4.4890 4.4890 7.3174 7.3174 8.5989 8.5989 8.7923 8.7923 k = 0.5000 0.5000 0.0935 ( 6532 PWs) bands (ev): -27.0572 -27.0572 -27.0369 -27.0369 -11.0028 -11.0028 -10.9148 -10.9148 -10.8037 -10.8037 -10.5365 -10.5365 -10.4946 -10.4946 -10.4308 -10.4308 -10.1165 -10.1165 -10.0550 -10.0550 -3.9734 -3.9734 -3.7886 -3.7886 -0.6537 -0.6537 -0.4059 -0.4059 -0.3108 -0.3108 -0.3050 -0.3050 0.4537 0.4537 0.4552 0.4552 1.1860 1.1860 1.3325 1.3325 1.3541 1.3541 1.5376 1.5376 1.5531 1.5531 1.8835 1.8835 2.0816 2.0816 2.1485 2.1485 2.2641 2.2641 2.2697 2.2697 4.4639 4.4639 4.4923 4.4923 4.4979 4.4979 7.2327 7.2327 8.6196 8.6196 8.8611 8.8611 k = 0.5000 0.5000 0.1091 ( 6516 PWs) bands (ev): -27.0568 -27.0568 -27.0373 -27.0373 -11.0012 -11.0012 -10.9175 -10.9175 -10.7973 -10.7973 -10.5347 -10.5347 -10.5031 -10.5031 -10.4310 -10.4310 -10.1146 -10.1146 -10.0556 -10.0556 -3.9699 -3.9699 -3.7923 -3.7923 -0.6485 -0.6485 -0.4103 -0.4103 -0.3107 -0.3107 -0.3052 -0.3052 0.4535 0.4535 0.4550 0.4550 1.1933 1.1933 1.3320 1.3320 1.3558 1.3558 1.5379 1.5379 1.5529 1.5529 1.8655 1.8655 2.0804 2.0804 2.1468 2.1468 2.2627 2.2627 2.2689 2.2689 4.4820 4.4820 4.4960 4.4960 4.5331 4.5331 7.1417 7.1417 8.6439 8.6439 8.9331 8.9331 k = 0.5000 0.5000 0.1247 ( 6524 PWs) bands (ev): -27.0564 -27.0564 -27.0378 -27.0378 -10.9995 -10.9995 -10.9203 -10.9203 -10.7901 -10.7901 -10.5326 -10.5326 -10.5121 -10.5121 -10.4318 -10.4318 -10.1125 -10.1125 -10.0563 -10.0563 -3.9659 -3.9659 -3.7964 -3.7964 -0.6427 -0.6427 -0.4153 -0.4153 -0.3106 -0.3106 -0.3054 -0.3054 0.4534 0.4534 0.4548 0.4548 1.2016 1.2016 1.3313 1.3313 1.3579 1.3579 1.5382 1.5382 1.5525 1.5525 1.8450 1.8450 2.0795 2.0795 2.1449 2.1449 2.2613 2.2613 2.2679 2.2679 4.4895 4.4895 4.5000 4.5000 4.5853 4.5853 7.0461 7.0461 8.6716 8.6716 9.0067 9.0067 k = 0.5000 0.5000 0.1403 ( 6496 PWs) bands (ev): -27.0558 -27.0558 -27.0383 -27.0383 -10.9975 -10.9975 -10.9233 -10.9233 -10.7824 -10.7824 -10.5302 -10.5302 -10.5216 -10.5216 -10.4333 -10.4333 -10.1101 -10.1101 -10.0571 -10.0571 -3.9614 -3.9614 -3.8011 -3.8011 -0.6361 -0.6361 -0.4210 -0.4210 -0.3105 -0.3105 -0.3056 -0.3056 0.4533 0.4533 0.4546 0.4546 1.2108 1.2108 1.3307 1.3307 1.3606 1.3606 1.5387 1.5387 1.5522 1.5522 1.8223 1.8223 2.0793 2.0793 2.1428 2.1428 2.2601 2.2601 2.2669 2.2669 4.4953 4.4953 4.5042 4.5042 4.6454 4.6454 6.9471 6.9471 8.7028 8.7028 9.0810 9.0810 k = 0.5000 0.5000 0.1558 ( 6496 PWs) bands (ev): -27.0553 -27.0553 -27.0388 -27.0388 -10.9954 -10.9954 -10.9263 -10.9263 -10.7741 -10.7741 -10.5316 -10.5316 -10.5276 -10.5276 -10.4353 -10.4353 -10.1076 -10.1076 -10.0581 -10.0581 -3.9565 -3.9565 -3.8062 -3.8062 -0.6290 -0.6290 -0.4272 -0.4272 -0.3103 -0.3103 -0.3059 -0.3059 0.4531 0.4531 0.4544 0.4544 1.2207 1.2207 1.3299 1.3299 1.3638 1.3638 1.5391 1.5391 1.5517 1.5517 1.7978 1.7978 2.0797 2.0797 2.1405 2.1405 2.2589 2.2589 2.2659 2.2659 4.5007 4.5007 4.5087 4.5087 4.7113 4.7113 6.8454 6.8454 8.7371 8.7371 9.1550 9.1550 k = 0.5000 0.5000 0.1714 ( 6480 PWs) bands (ev): -27.0547 -27.0547 -27.0394 -27.0394 -10.9931 -10.9931 -10.9294 -10.9294 -10.7652 -10.7652 -10.5420 -10.5420 -10.5246 -10.5246 -10.4379 -10.4379 -10.1050 -10.1050 -10.0591 -10.0591 -3.9512 -3.9512 -3.8117 -3.8117 -0.6213 -0.6213 -0.4340 -0.4340 -0.3102 -0.3102 -0.3061 -0.3061 0.4530 0.4530 0.4542 0.4542 1.2310 1.2310 1.3290 1.3290 1.3680 1.3680 1.5396 1.5396 1.5513 1.5513 1.7719 1.7719 2.0805 2.0805 2.1380 2.1380 2.2579 2.2579 2.2648 2.2648 4.5059 4.5059 4.5131 4.5131 4.7824 4.7824 6.7418 6.7418 8.7745 8.7745 9.2280 9.2280 k = 0.5000 0.5000 0.1870 ( 6484 PWs) bands (ev): -27.0541 -27.0541 -27.0400 -27.0400 -10.9906 -10.9906 -10.9326 -10.9326 -10.7559 -10.7559 -10.5526 -10.5526 -10.5214 -10.5214 -10.4410 -10.4410 -10.1023 -10.1023 -10.0603 -10.0603 -3.9455 -3.9455 -3.8176 -3.8176 -0.6130 -0.6130 -0.4413 -0.4413 -0.3100 -0.3100 -0.3063 -0.3063 0.4528 0.4528 0.4539 0.4539 1.2417 1.2417 1.3279 1.3279 1.3731 1.3731 1.5400 1.5400 1.5508 1.5508 1.7448 1.7448 2.0818 2.0818 2.1353 2.1353 2.2570 2.2570 2.2636 2.2636 4.5111 4.5111 4.5175 4.5175 4.8580 4.8580 6.6368 6.6368 8.8148 8.8148 9.2996 9.2996 k = 0.5000 0.5000 0.2026 ( 6500 PWs) bands (ev): -27.0534 -27.0534 -27.0407 -27.0407 -10.9880 -10.9880 -10.9359 -10.9359 -10.7462 -10.7462 -10.5637 -10.5637 -10.5179 -10.5179 -10.4445 -10.4445 -10.0995 -10.0995 -10.0617 -10.0617 -3.9394 -3.9394 -3.8239 -3.8239 -0.6043 -0.6043 -0.4492 -0.4492 -0.3099 -0.3099 -0.3066 -0.3066 0.4527 0.4527 0.4537 0.4537 1.2523 1.2523 1.3267 1.3267 1.3795 1.3795 1.5405 1.5405 1.5502 1.5502 1.7170 1.7170 2.0835 2.0835 2.1325 2.1325 2.2562 2.2562 2.2625 2.2625 4.5160 4.5160 4.5217 4.5217 4.9378 4.9378 6.5308 6.5308 8.8578 8.8578 9.3693 9.3693 k = 0.5000 0.5000 0.2182 ( 6512 PWs) bands (ev): -27.0527 -27.0527 -27.0414 -27.0414 -10.9852 -10.9852 -10.9392 -10.9392 -10.7360 -10.7360 -10.5749 -10.5749 -10.5141 -10.5141 -10.4485 -10.4485 -10.0966 -10.0966 -10.0631 -10.0631 -3.9330 -3.9330 -3.8304 -3.8304 -0.5953 -0.5953 -0.4575 -0.4575 -0.3098 -0.3098 -0.3069 -0.3069 0.4526 0.4526 0.4535 0.4535 1.2627 1.2627 1.3254 1.3254 1.3874 1.3874 1.5410 1.5410 1.5496 1.5496 1.6889 1.6889 2.0856 2.0856 2.1295 2.1295 2.2555 2.2555 2.2613 2.2613 4.5207 4.5207 4.5257 4.5257 5.0213 5.0213 6.4241 6.4241 8.9032 8.9032 9.4369 9.4369 k = 0.5000 0.5000 0.2338 ( 6528 PWs) bands (ev): -27.0520 -27.0520 -27.0422 -27.0422 -10.9823 -10.9823 -10.9425 -10.9425 -10.7256 -10.7256 -10.5864 -10.5864 -10.5102 -10.5102 -10.4527 -10.4527 -10.0937 -10.0937 -10.0648 -10.0648 -3.9263 -3.9263 -3.8373 -3.8373 -0.5858 -0.5858 -0.4662 -0.4662 -0.3096 -0.3096 -0.3071 -0.3071 0.4525 0.4525 0.4533 0.4533 1.2724 1.2724 1.3239 1.3239 1.3973 1.3973 1.5415 1.5415 1.5490 1.5490 1.6605 1.6605 2.0880 2.0880 2.1264 2.1264 2.2550 2.2550 2.2602 2.2602 4.5250 4.5250 4.5293 4.5293 5.1083 5.1083 6.3173 6.3173 8.9508 8.9508 9.5020 9.5020 k = 0.5000 0.5000 0.2494 ( 6512 PWs) bands (ev): -27.0512 -27.0512 -27.0430 -27.0430 -10.9793 -10.9793 -10.9459 -10.9459 -10.7147 -10.7147 -10.5980 -10.5980 -10.5059 -10.5059 -10.4572 -10.4572 -10.0908 -10.0908 -10.0665 -10.0665 -3.9193 -3.9193 -3.8444 -3.8444 -0.5760 -0.5760 -0.4754 -0.4754 -0.3094 -0.3094 -0.3074 -0.3074 0.4524 0.4524 0.4531 0.4531 1.2813 1.2813 1.3223 1.3223 1.4094 1.4094 1.5421 1.5421 1.5484 1.5484 1.6324 1.6324 2.0906 2.0906 2.1232 2.1232 2.2547 2.2547 2.2592 2.2592 4.5288 4.5288 4.5325 4.5325 5.1984 5.1984 6.2104 6.2104 9.0002 9.0002 9.5096 9.5096 k = 0.5000 0.5000 0.2649 ( 6512 PWs) bands (ev): -27.0504 -27.0504 -27.0438 -27.0438 -10.9762 -10.9762 -10.9493 -10.9493 -10.7036 -10.7036 -10.6097 -10.6097 -10.5015 -10.5015 -10.4620 -10.4620 -10.0880 -10.0880 -10.0684 -10.0684 -3.9122 -3.9122 -3.8517 -3.8517 -0.5661 -0.5661 -0.4848 -0.4848 -0.3093 -0.3093 -0.3076 -0.3076 0.4524 0.4524 0.4529 0.4529 1.2891 1.2891 1.3205 1.3205 1.4237 1.4237 1.5427 1.5427 1.5478 1.5478 1.6047 1.6047 2.0935 2.0935 2.1199 2.1199 2.2546 2.2546 2.2582 2.2582 4.5322 4.5322 4.5351 4.5351 5.2913 5.2913 6.1039 6.1039 9.0512 9.0512 9.4638 9.4638 k = 0.5000 0.5000 0.2805 ( 6504 PWs) bands (ev): -27.0496 -27.0496 -27.0446 -27.0446 -10.9730 -10.9730 -10.9527 -10.9527 -10.6923 -10.6923 -10.6215 -10.6215 -10.4968 -10.4968 -10.4669 -10.4669 -10.0852 -10.0852 -10.0704 -10.0704 -3.9048 -3.9048 -3.8592 -3.8592 -0.5559 -0.5559 -0.4945 -0.4945 -0.3091 -0.3091 -0.3078 -0.3078 0.4523 0.4523 0.4527 0.4527 1.2957 1.2957 1.3184 1.3184 1.4403 1.4403 1.5433 1.5433 1.5471 1.5471 1.5776 1.5776 2.0965 2.0965 2.1165 2.1165 2.2546 2.2546 2.2574 2.2574 4.5349 4.5349 4.5371 4.5371 5.3868 5.3868 5.9978 5.9978 9.1033 9.1033 9.4158 9.4158 k = 0.5000 0.5000 0.2961 ( 6504 PWs) bands (ev): -27.0487 -27.0487 -27.0454 -27.0454 -10.9697 -10.9697 -10.9561 -10.9561 -10.6808 -10.6808 -10.6334 -10.6334 -10.4920 -10.4920 -10.4719 -10.4719 -10.0825 -10.0825 -10.0726 -10.0726 -3.8973 -3.8973 -3.8668 -3.8668 -0.5456 -0.5456 -0.5045 -0.5045 -0.3089 -0.3089 -0.3080 -0.3080 0.4523 0.4523 0.4526 0.4526 1.3013 1.3013 1.3160 1.3160 1.4591 1.4591 1.5440 1.5440 1.5465 1.5465 1.5513 1.5513 2.0997 2.0997 2.1131 2.1131 2.2547 2.2547 2.2566 2.2566 4.5371 4.5371 4.5385 4.5385 5.4844 5.4844 5.8926 5.8926 9.1561 9.1561 9.3659 9.3659 k = 0.5000 0.5000 0.3117 ( 6496 PWs) bands (ev): -27.0479 -27.0479 -27.0462 -27.0462 -10.9663 -10.9663 -10.9595 -10.9595 -10.6691 -10.6691 -10.6454 -10.6454 -10.4871 -10.4871 -10.4770 -10.4770 -10.0798 -10.0798 -10.0749 -10.0749 -3.8897 -3.8897 -3.8744 -3.8744 -0.5352 -0.5352 -0.5146 -0.5146 -0.3087 -0.3087 -0.3082 -0.3082 0.4523 0.4523 0.4525 0.4525 1.3060 1.3060 1.3132 1.3132 1.4798 1.4798 1.5262 1.5262 1.5446 1.5446 1.5459 1.5459 2.1030 2.1030 2.1097 2.1097 2.2550 2.2550 2.2559 2.2559 4.5385 4.5385 4.5392 4.5392 5.5841 5.5841 5.7884 5.7884 9.2093 9.2093 9.3146 9.3146 k = 0.5000 0.5000 0.3273 ( 6472 PWs) bands (ev): -27.0470 -27.0470 -27.0470 -27.0470 -10.9629 -10.9629 -10.9629 -10.9629 -10.6572 -10.6572 -10.6572 -10.6572 -10.4820 -10.4820 -10.4820 -10.4820 -10.0773 -10.0773 -10.0773 -10.0773 -3.8820 -3.8820 -3.8820 -3.8820 -0.5249 -0.5249 -0.5248 -0.5248 -0.3085 -0.3085 -0.3084 -0.3084 0.4524 0.4524 0.4524 0.4524 1.3099 1.3099 1.3099 1.3099 1.5022 1.5022 1.5023 1.5023 1.5453 1.5453 1.5453 1.5453 2.1064 2.1064 2.1064 2.1064 2.2554 2.2554 2.2555 2.2555 4.5392 4.5392 4.5392 4.5392 5.6855 5.6855 5.6855 5.6855 9.2622 9.2622 9.2623 9.2623 Writing output data file KCuC2.save init_run : 0.48s CPU 1.00s WALL ( 1 calls) electrons : 264.29s CPU 269.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 264.28s CPU 269.09s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 292 calls) cegterg : 239.62s CPU 242.31s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 128.05s CPU 130.07s WALL ( 7428 calls) s_psi : 15.47s CPU 15.43s WALL ( 7428 calls) g_psi : 0.43s CPU 0.42s WALL ( 6674 calls) cdiaghg : 81.07s CPU 81.87s WALL ( 6966 calls) cegterg:over : 12.02s CPU 12.23s WALL ( 6674 calls) cegterg:upda : 11.12s CPU 11.09s WALL ( 6674 calls) cegterg:last : 5.08s CPU 5.22s WALL ( 1046 calls) cdiaghg:chol : 4.69s CPU 4.75s WALL ( 6966 calls) cdiaghg:inve : 3.66s CPU 3.49s WALL ( 6966 calls) cdiaghg:para : 5.49s CPU 5.79s WALL ( 13932 calls) Called by h_psi: h_psi:vloc : 106.82s CPU 108.37s WALL ( 7428 calls) h_psi:vnl : 20.84s CPU 21.22s WALL ( 7428 calls) add_vuspsi : 10.94s CPU 10.94s WALL ( 7428 calls) General routines calbec : 9.87s CPU 10.26s WALL ( 7428 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.45s CPU 100.91s WALL ( 949488 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.34s WALL ( 584 calls) Parallel routines fft_scatter : 35.62s CPU 35.78s WALL ( 949511 calls) PWSCF : 4m48.48s CPU 5m19.61s WALL This run was terminated on: 16:16:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=