Program PWSCF v.5.1.1 starts on 29Dec2015 at 5:45:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SbSBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 38 10 2824 2086 314 Max 47 39 11 2833 2112 323 Sum 2241 1829 517 135771 100759 15373 bravais-lattice index = 14 lattice parameter (alat) = 7.4493 a.u. unit-cell volume = 2107.6602 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.449300 celldm(2)= 2.072045 celldm(3)= 2.460680 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 2.072045 0.000000 ) a(3) = ( 0.000000 0.000000 2.460680 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.482615 -0.000000 ) b(3) = ( 0.000000 0.000000 0.406392 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Br 7.00 79.90400 Br( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops. (no inversion) found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -1.0360223 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.2303399 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0360223 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2303399 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0031250 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0031250 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0031250 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0031250 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0031250 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0031250 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0031250 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0031250 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 43) = ( 0.5000000 0.0120654 -0.0000000), wk = 0.0031250 k( 44) = ( 0.5000000 0.0241308 -0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.0361961 -0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.0482615 -0.0000000), wk = 0.0031250 k( 47) = ( 0.5000000 0.0603269 -0.0000000), wk = 0.0031250 k( 48) = ( 0.5000000 0.0723923 -0.0000000), wk = 0.0031250 k( 49) = ( 0.5000000 0.0844576 -0.0000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0965230 -0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.1085884 -0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 0.1206538 -0.0000000), wk = 0.0031250 k( 53) = ( 0.5000000 0.1327191 -0.0000000), wk = 0.0031250 k( 54) = ( 0.5000000 0.1447845 -0.0000000), wk = 0.0031250 k( 55) = ( 0.5000000 0.1568499 -0.0000000), wk = 0.0031250 k( 56) = ( 0.5000000 0.1689153 -0.0000000), wk = 0.0031250 k( 57) = ( 0.5000000 0.1809807 -0.0000000), wk = 0.0031250 k( 58) = ( 0.5000000 0.1930460 -0.0000000), wk = 0.0031250 k( 59) = ( 0.5000000 0.2051114 -0.0000000), wk = 0.0031250 k( 60) = ( 0.5000000 0.2171768 -0.0000000), wk = 0.0031250 k( 61) = ( 0.5000000 0.2292422 -0.0000000), wk = 0.0031250 k( 62) = ( 0.5000000 0.2413075 -0.0000000), wk = 0.0031250 k( 63) = ( 0.5000000 0.2413075 -0.0000000), wk = 0.0031250 k( 64) = ( 0.4875000 0.2413075 -0.0000000), wk = 0.0031250 k( 65) = ( 0.4750000 0.2413075 -0.0000000), wk = 0.0031250 k( 66) = ( 0.4625000 0.2413075 -0.0000000), wk = 0.0031250 k( 67) = ( 0.4500000 0.2413075 -0.0000000), wk = 0.0031250 k( 68) = ( 0.4375000 0.2413075 -0.0000000), wk = 0.0031250 k( 69) = ( 0.4250000 0.2413075 -0.0000000), wk = 0.0031250 k( 70) = ( 0.4125000 0.2413075 -0.0000000), wk = 0.0031250 k( 71) = ( 0.4000000 0.2413075 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3875000 0.2413075 -0.0000000), wk = 0.0031250 k( 73) = ( 0.3750000 0.2413075 -0.0000000), wk = 0.0031250 k( 74) = ( 0.3625000 0.2413075 -0.0000000), wk = 0.0031250 k( 75) = ( 0.3500000 0.2413075 -0.0000000), wk = 0.0031250 k( 76) = ( 0.3375000 0.2413075 -0.0000000), wk = 0.0031250 k( 77) = ( 0.3250000 0.2413075 -0.0000000), wk = 0.0031250 k( 78) = ( 0.3125000 0.2413075 -0.0000000), wk = 0.0031250 k( 79) = ( 0.3000000 0.2413075 -0.0000000), wk = 0.0031250 k( 80) = ( 0.2875000 0.2413075 -0.0000000), wk = 0.0031250 k( 81) = ( 0.2750000 0.2413075 -0.0000000), wk = 0.0031250 k( 82) = ( 0.2625000 0.2413075 -0.0000000), wk = 0.0031250 k( 83) = ( 0.2500000 0.2413075 -0.0000000), wk = 0.0031250 k( 84) = ( 0.2375000 0.2413075 -0.0000000), wk = 0.0031250 k( 85) = ( 0.2250000 0.2413075 -0.0000000), wk = 0.0031250 k( 86) = ( 0.2125000 0.2413075 -0.0000000), wk = 0.0031250 k( 87) = ( 0.2000000 0.2413075 -0.0000000), wk = 0.0031250 k( 88) = ( 0.1875000 0.2413075 -0.0000000), wk = 0.0031250 k( 89) = ( 0.1750000 0.2413075 -0.0000000), wk = 0.0031250 k( 90) = ( 0.1625000 0.2413075 -0.0000000), wk = 0.0031250 k( 91) = ( 0.1500000 0.2413075 -0.0000000), wk = 0.0031250 k( 92) = ( 0.1375000 0.2413075 -0.0000000), wk = 0.0031250 k( 93) = ( 0.1250000 0.2413075 -0.0000000), wk = 0.0031250 k( 94) = ( 0.1125000 0.2413075 -0.0000000), wk = 0.0031250 k( 95) = ( 0.1000000 0.2413075 -0.0000000), wk = 0.0031250 k( 96) = ( 0.0875000 0.2413075 -0.0000000), wk = 0.0031250 k( 97) = ( 0.0750000 0.2413075 -0.0000000), wk = 0.0031250 k( 98) = ( 0.0625000 0.2413075 -0.0000000), wk = 0.0031250 k( 99) = ( 0.0500000 0.2413075 -0.0000000), wk = 0.0031250 k( 100) = ( 0.0375000 0.2413075 -0.0000000), wk = 0.0031250 k( 101) = ( 0.0250000 0.2413075 -0.0000000), wk = 0.0031250 k( 102) = ( 0.0125000 0.2413075 -0.0000000), wk = 0.0031250 k( 103) = ( 0.0000000 0.2413075 -0.0000000), wk = 0.0031250 k( 104) = ( 0.0000000 0.2413075 -0.0000000), wk = 0.0031250 k( 105) = ( 0.0000000 0.2292422 -0.0000000), wk = 0.0031250 k( 106) = ( 0.0000000 0.2171768 -0.0000000), wk = 0.0031250 k( 107) = ( 0.0000000 0.2051114 -0.0000000), wk = 0.0031250 k( 108) = ( 0.0000000 0.1930460 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0000000 0.1809807 -0.0000000), wk = 0.0031250 k( 110) = ( 0.0000000 0.1689153 -0.0000000), wk = 0.0031250 k( 111) = ( 0.0000000 0.1568499 -0.0000000), wk = 0.0031250 k( 112) = ( 0.0000000 0.1447845 -0.0000000), wk = 0.0031250 k( 113) = ( 0.0000000 0.1327191 -0.0000000), wk = 0.0031250 k( 114) = ( 0.0000000 0.1206538 -0.0000000), wk = 0.0031250 k( 115) = ( 0.0000000 0.1085884 -0.0000000), wk = 0.0031250 k( 116) = ( 0.0000000 0.0965230 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0000000 0.0844576 -0.0000000), wk = 0.0031250 k( 118) = ( 0.0000000 0.0723923 -0.0000000), wk = 0.0031250 k( 119) = ( 0.0000000 0.0603269 -0.0000000), wk = 0.0031250 k( 120) = ( 0.0000000 0.0482615 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0000000 0.0361961 -0.0000000), wk = 0.0031250 k( 122) = ( 0.0000000 0.0241308 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0000000 0.0120654 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0119527), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0239054), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0358581), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0478108), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.0597635), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.0717162), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.0836689), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.0956216), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1075743), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.1195270), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.1314797), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.1434324), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.1553851), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.1673378), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.1792905), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.1912432), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.2031959), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.2031959), wk = 0.0031250 k( 144) = ( 0.0125000 -0.0000000 0.2031959), wk = 0.0031250 k( 145) = ( 0.0250000 -0.0000000 0.2031959), wk = 0.0031250 k( 146) = ( 0.0375000 -0.0000000 0.2031959), wk = 0.0031250 k( 147) = ( 0.0500000 -0.0000000 0.2031959), wk = 0.0031250 k( 148) = ( 0.0625000 -0.0000000 0.2031959), wk = 0.0031250 k( 149) = ( 0.0750000 -0.0000000 0.2031959), wk = 0.0031250 k( 150) = ( 0.0875000 -0.0000000 0.2031959), wk = 0.0031250 k( 151) = ( 0.1000000 -0.0000000 0.2031959), wk = 0.0031250 k( 152) = ( 0.1125000 -0.0000000 0.2031959), wk = 0.0031250 k( 153) = ( 0.1250000 -0.0000000 0.2031959), wk = 0.0031250 k( 154) = ( 0.1375000 -0.0000000 0.2031959), wk = 0.0031250 k( 155) = ( 0.1500000 -0.0000000 0.2031959), wk = 0.0031250 k( 156) = ( 0.1625000 -0.0000000 0.2031959), wk = 0.0031250 k( 157) = ( 0.1750000 -0.0000000 0.2031959), wk = 0.0031250 k( 158) = ( 0.1875000 -0.0000000 0.2031959), wk = 0.0031250 k( 159) = ( 0.2000000 -0.0000000 0.2031959), wk = 0.0031250 k( 160) = ( 0.2125000 -0.0000000 0.2031959), wk = 0.0031250 k( 161) = ( 0.2250000 -0.0000000 0.2031959), wk = 0.0031250 k( 162) = ( 0.2375000 -0.0000000 0.2031959), wk = 0.0031250 k( 163) = ( 0.2500000 -0.0000000 0.2031959), wk = 0.0031250 k( 164) = ( 0.2625000 -0.0000000 0.2031959), wk = 0.0031250 k( 165) = ( 0.2750000 -0.0000000 0.2031959), wk = 0.0031250 k( 166) = ( 0.2875000 -0.0000000 0.2031959), wk = 0.0031250 k( 167) = ( 0.3000000 -0.0000000 0.2031959), wk = 0.0031250 k( 168) = ( 0.3125000 -0.0000000 0.2031959), wk = 0.0031250 k( 169) = ( 0.3250000 -0.0000000 0.2031959), wk = 0.0031250 k( 170) = ( 0.3375000 -0.0000000 0.2031959), wk = 0.0031250 k( 171) = ( 0.3500000 -0.0000000 0.2031959), wk = 0.0031250 k( 172) = ( 0.3625000 -0.0000000 0.2031959), wk = 0.0031250 k( 173) = ( 0.3750000 -0.0000000 0.2031959), wk = 0.0031250 k( 174) = ( 0.3875000 -0.0000000 0.2031959), wk = 0.0031250 k( 175) = ( 0.4000000 -0.0000000 0.2031959), wk = 0.0031250 k( 176) = ( 0.4125000 -0.0000000 0.2031959), wk = 0.0031250 k( 177) = ( 0.4250000 -0.0000000 0.2031959), wk = 0.0031250 k( 178) = ( 0.4375000 -0.0000000 0.2031959), wk = 0.0031250 k( 179) = ( 0.4500000 -0.0000000 0.2031959), wk = 0.0031250 k( 180) = ( 0.4625000 -0.0000000 0.2031959), wk = 0.0031250 k( 181) = ( 0.4750000 -0.0000000 0.2031959), wk = 0.0031250 k( 182) = ( 0.4875000 -0.0000000 0.2031959), wk = 0.0031250 k( 183) = ( 0.5000000 -0.0000000 0.2031959), wk = 0.0031250 k( 184) = ( 0.5000000 -0.0000000 0.2031959), wk = 0.0031250 k( 185) = ( 0.5000000 0.0120654 0.2031959), wk = 0.0031250 k( 186) = ( 0.5000000 0.0241308 0.2031959), wk = 0.0031250 k( 187) = ( 0.5000000 0.0361961 0.2031959), wk = 0.0031250 k( 188) = ( 0.5000000 0.0482615 0.2031959), wk = 0.0031250 k( 189) = ( 0.5000000 0.0603269 0.2031959), wk = 0.0031250 k( 190) = ( 0.5000000 0.0723923 0.2031959), wk = 0.0031250 k( 191) = ( 0.5000000 0.0844576 0.2031959), wk = 0.0031250 k( 192) = ( 0.5000000 0.0965230 0.2031959), wk = 0.0031250 k( 193) = ( 0.5000000 0.1085884 0.2031959), wk = 0.0031250 k( 194) = ( 0.5000000 0.1206538 0.2031959), wk = 0.0031250 k( 195) = ( 0.5000000 0.1327191 0.2031959), wk = 0.0031250 k( 196) = ( 0.5000000 0.1447845 0.2031959), wk = 0.0031250 k( 197) = ( 0.5000000 0.1568499 0.2031959), wk = 0.0031250 k( 198) = ( 0.5000000 0.1689153 0.2031959), wk = 0.0031250 k( 199) = ( 0.5000000 0.1809807 0.2031959), wk = 0.0031250 k( 200) = ( 0.5000000 0.1930460 0.2031959), wk = 0.0031250 k( 201) = ( 0.5000000 0.2051114 0.2031959), wk = 0.0031250 k( 202) = ( 0.5000000 0.2171768 0.2031959), wk = 0.0031250 k( 203) = ( 0.5000000 0.2292422 0.2031959), wk = 0.0031250 k( 204) = ( 0.5000000 0.2413075 0.2031959), wk = 0.0031250 k( 205) = ( 0.5000000 0.2413075 0.2031959), wk = 0.0031250 k( 206) = ( 0.4875000 0.2413075 0.2031959), wk = 0.0031250 k( 207) = ( 0.4750000 0.2413075 0.2031959), wk = 0.0031250 k( 208) = ( 0.4625000 0.2413075 0.2031959), wk = 0.0031250 k( 209) = ( 0.4500000 0.2413075 0.2031959), wk = 0.0031250 k( 210) = ( 0.4375000 0.2413075 0.2031959), wk = 0.0031250 k( 211) = ( 0.4250000 0.2413075 0.2031959), wk = 0.0031250 k( 212) = ( 0.4125000 0.2413075 0.2031959), wk = 0.0031250 k( 213) = ( 0.4000000 0.2413075 0.2031959), wk = 0.0031250 k( 214) = ( 0.3875000 0.2413075 0.2031959), wk = 0.0031250 k( 215) = ( 0.3750000 0.2413075 0.2031959), wk = 0.0031250 k( 216) = ( 0.3625000 0.2413075 0.2031959), wk = 0.0031250 k( 217) = ( 0.3500000 0.2413075 0.2031959), wk = 0.0031250 k( 218) = ( 0.3375000 0.2413075 0.2031959), wk = 0.0031250 k( 219) = ( 0.3250000 0.2413075 0.2031959), wk = 0.0031250 k( 220) = ( 0.3125000 0.2413075 0.2031959), wk = 0.0031250 k( 221) = ( 0.3000000 0.2413075 0.2031959), wk = 0.0031250 k( 222) = ( 0.2875000 0.2413075 0.2031959), wk = 0.0031250 k( 223) = ( 0.2750000 0.2413075 0.2031959), wk = 0.0031250 k( 224) = ( 0.2625000 0.2413075 0.2031959), wk = 0.0031250 k( 225) = ( 0.2500000 0.2413075 0.2031959), wk = 0.0031250 k( 226) = ( 0.2375000 0.2413075 0.2031959), wk = 0.0031250 k( 227) = ( 0.2250000 0.2413075 0.2031959), wk = 0.0031250 k( 228) = ( 0.2125000 0.2413075 0.2031959), wk = 0.0031250 k( 229) = ( 0.2000000 0.2413075 0.2031959), wk = 0.0031250 k( 230) = ( 0.1875000 0.2413075 0.2031959), wk = 0.0031250 k( 231) = ( 0.1750000 0.2413075 0.2031959), wk = 0.0031250 k( 232) = ( 0.1625000 0.2413075 0.2031959), wk = 0.0031250 k( 233) = ( 0.1500000 0.2413075 0.2031959), wk = 0.0031250 k( 234) = ( 0.1375000 0.2413075 0.2031959), wk = 0.0031250 k( 235) = ( 0.1250000 0.2413075 0.2031959), wk = 0.0031250 k( 236) = ( 0.1125000 0.2413075 0.2031959), wk = 0.0031250 k( 237) = ( 0.1000000 0.2413075 0.2031959), wk = 0.0031250 k( 238) = ( 0.0875000 0.2413075 0.2031959), wk = 0.0031250 k( 239) = ( 0.0750000 0.2413075 0.2031959), wk = 0.0031250 k( 240) = ( 0.0625000 0.2413075 0.2031959), wk = 0.0031250 k( 241) = ( 0.0500000 0.2413075 0.2031959), wk = 0.0031250 k( 242) = ( 0.0375000 0.2413075 0.2031959), wk = 0.0031250 k( 243) = ( 0.0250000 0.2413075 0.2031959), wk = 0.0031250 k( 244) = ( 0.0125000 0.2413075 0.2031959), wk = 0.0031250 k( 245) = ( 0.0000000 0.2413075 0.2031959), wk = 0.0031250 k( 246) = ( 0.0000000 0.2413075 0.2031959), wk = 0.0031250 k( 247) = ( 0.0000000 0.2292422 0.2031959), wk = 0.0031250 k( 248) = ( 0.0000000 0.2171768 0.2031959), wk = 0.0031250 k( 249) = ( 0.0000000 0.2051114 0.2031959), wk = 0.0031250 k( 250) = ( 0.0000000 0.1930460 0.2031959), wk = 0.0031250 k( 251) = ( 0.0000000 0.1809807 0.2031959), wk = 0.0031250 k( 252) = ( 0.0000000 0.1689153 0.2031959), wk = 0.0031250 k( 253) = ( 0.0000000 0.1568499 0.2031959), wk = 0.0031250 k( 254) = ( 0.0000000 0.1447845 0.2031959), wk = 0.0031250 k( 255) = ( 0.0000000 0.1327191 0.2031959), wk = 0.0031250 k( 256) = ( 0.0000000 0.1206538 0.2031959), wk = 0.0031250 k( 257) = ( 0.0000000 0.1085884 0.2031959), wk = 0.0031250 k( 258) = ( 0.0000000 0.0965230 0.2031959), wk = 0.0031250 k( 259) = ( 0.0000000 0.0844576 0.2031959), wk = 0.0031250 k( 260) = ( 0.0000000 0.0723923 0.2031959), wk = 0.0031250 k( 261) = ( 0.0000000 0.0603269 0.2031959), wk = 0.0031250 k( 262) = ( 0.0000000 0.0482615 0.2031959), wk = 0.0031250 k( 263) = ( 0.0000000 0.0361961 0.2031959), wk = 0.0031250 k( 264) = ( 0.0000000 0.0241308 0.2031959), wk = 0.0031250 k( 265) = ( 0.0000000 0.0120654 0.2031959), wk = 0.0031250 k( 266) = ( 0.0000000 0.0000000 0.2031959), wk = 0.0031250 k( 267) = ( 0.0000000 0.2413075 -0.0000000), wk = 0.0031250 k( 268) = ( 0.0000000 0.2413075 0.0119527), wk = 0.0031250 k( 269) = ( 0.0000000 0.2413075 0.0239054), wk = 0.0031250 k( 270) = ( 0.0000000 0.2413075 0.0358581), wk = 0.0031250 k( 271) = ( 0.0000000 0.2413075 0.0478108), wk = 0.0031250 k( 272) = ( 0.0000000 0.2413075 0.0597635), wk = 0.0031250 k( 273) = ( 0.0000000 0.2413075 0.0717162), wk = 0.0031250 k( 274) = ( 0.0000000 0.2413075 0.0836689), wk = 0.0031250 k( 275) = ( 0.0000000 0.2413075 0.0956216), wk = 0.0031250 k( 276) = ( 0.0000000 0.2413075 0.1075743), wk = 0.0031250 k( 277) = ( 0.0000000 0.2413075 0.1195270), wk = 0.0031250 k( 278) = ( 0.0000000 0.2413075 0.1314797), wk = 0.0031250 k( 279) = ( 0.0000000 0.2413075 0.1434324), wk = 0.0031250 k( 280) = ( 0.0000000 0.2413075 0.1553851), wk = 0.0031250 k( 281) = ( 0.0000000 0.2413075 0.1673378), wk = 0.0031250 k( 282) = ( 0.0000000 0.2413075 0.1792905), wk = 0.0031250 k( 283) = ( 0.0000000 0.2413075 0.1912432), wk = 0.0031250 k( 284) = ( 0.0000000 0.2413075 0.2031959), wk = 0.0031250 k( 285) = ( 0.5000000 -0.0000000 0.2031959), wk = 0.0031250 k( 286) = ( 0.5000000 -0.0000000 0.1912432), wk = 0.0031250 k( 287) = ( 0.5000000 -0.0000000 0.1792905), wk = 0.0031250 k( 288) = ( 0.5000000 -0.0000000 0.1673378), wk = 0.0031250 k( 289) = ( 0.5000000 -0.0000000 0.1553851), wk = 0.0031250 k( 290) = ( 0.5000000 -0.0000000 0.1434324), wk = 0.0031250 k( 291) = ( 0.5000000 -0.0000000 0.1314797), wk = 0.0031250 k( 292) = ( 0.5000000 -0.0000000 0.1195270), wk = 0.0031250 k( 293) = ( 0.5000000 -0.0000000 0.1075743), wk = 0.0031250 k( 294) = ( 0.5000000 -0.0000000 0.0956216), wk = 0.0031250 k( 295) = ( 0.5000000 -0.0000000 0.0836689), wk = 0.0031250 k( 296) = ( 0.5000000 -0.0000000 0.0717162), wk = 0.0031250 k( 297) = ( 0.5000000 -0.0000000 0.0597635), wk = 0.0031250 k( 298) = ( 0.5000000 -0.0000000 0.0478108), wk = 0.0031250 k( 299) = ( 0.5000000 -0.0000000 0.0358581), wk = 0.0031250 k( 300) = ( 0.5000000 -0.0000000 0.0239054), wk = 0.0031250 k( 301) = ( 0.5000000 -0.0000000 0.0119527), wk = 0.0031250 k( 302) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 303) = ( 0.5000000 0.2413075 -0.0000000), wk = 0.0031250 k( 304) = ( 0.5000000 0.2413075 0.0119527), wk = 0.0031250 k( 305) = ( 0.5000000 0.2413075 0.0239054), wk = 0.0031250 k( 306) = ( 0.5000000 0.2413075 0.0358581), wk = 0.0031250 k( 307) = ( 0.5000000 0.2413075 0.0478108), wk = 0.0031250 k( 308) = ( 0.5000000 0.2413075 0.0597635), wk = 0.0031250 k( 309) = ( 0.5000000 0.2413075 0.0717162), wk = 0.0031250 k( 310) = ( 0.5000000 0.2413075 0.0836689), wk = 0.0031250 k( 311) = ( 0.5000000 0.2413075 0.0956216), wk = 0.0031250 k( 312) = ( 0.5000000 0.2413075 0.1075743), wk = 0.0031250 k( 313) = ( 0.5000000 0.2413075 0.1195270), wk = 0.0031250 k( 314) = ( 0.5000000 0.2413075 0.1314797), wk = 0.0031250 k( 315) = ( 0.5000000 0.2413075 0.1434324), wk = 0.0031250 k( 316) = ( 0.5000000 0.2413075 0.1553851), wk = 0.0031250 k( 317) = ( 0.5000000 0.2413075 0.1673378), wk = 0.0031250 k( 318) = ( 0.5000000 0.2413075 0.1792905), wk = 0.0031250 k( 319) = ( 0.5000000 0.2413075 0.1912432), wk = 0.0031250 k( 320) = ( 0.5000000 0.2413075 0.2031959), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0031250 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0031250 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0031250 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0031250 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0031250 k( 8) = ( 0.0875000 -0.0000000 0.0000000), wk = 0.0031250 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0031250 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0031250 k( 12) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0031250 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0031250 k( 15) = ( 0.1750000 -0.0000000 0.0000000), wk = 0.0031250 k( 16) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0031250 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0031250 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0031250 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0031250 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031250 k( 22) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0031250 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0031250 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0031250 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0031250 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0031250 k( 29) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0031250 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0031250 k( 31) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0031250 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.4125000 -0.0000000 0.0000000), wk = 0.0031250 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0031250 k( 36) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0031250 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0031250 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.5000000 0.0250000 0.0000000), wk = 0.0031250 k( 44) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.0750000 0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0031250 k( 48) = ( 0.5000000 0.1500000 -0.0000000), wk = 0.0031250 k( 49) = ( 0.5000000 0.1750000 0.0000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.2250000 0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0031250 k( 53) = ( 0.5000000 0.2750000 0.0000000), wk = 0.0031250 k( 54) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0031250 k( 55) = ( 0.5000000 0.3250000 0.0000000), wk = 0.0031250 k( 56) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0031250 k( 57) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0031250 k( 58) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0031250 k( 59) = ( 0.5000000 0.4250000 -0.0000000), wk = 0.0031250 k( 60) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0031250 k( 61) = ( 0.5000000 0.4750000 0.0000000), wk = 0.0031250 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031250 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031250 k( 64) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0031250 k( 65) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0031250 k( 66) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0031250 k( 67) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0031250 k( 68) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0031250 k( 69) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0031250 k( 70) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0031250 k( 71) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0031250 k( 73) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0031250 k( 74) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0031250 k( 75) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0031250 k( 76) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0031250 k( 77) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0031250 k( 78) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0031250 k( 79) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031250 k( 80) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0031250 k( 81) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0031250 k( 82) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0031250 k( 83) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031250 k( 84) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0031250 k( 85) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0031250 k( 86) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0031250 k( 87) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0031250 k( 88) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0031250 k( 89) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0031250 k( 90) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0031250 k( 91) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0031250 k( 92) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0031250 k( 93) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0031250 k( 94) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0031250 k( 95) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0031250 k( 96) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0031250 k( 97) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0031250 k( 98) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0031250 k( 99) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0031250 k( 100) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0031250 k( 101) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0031250 k( 102) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0031250 k( 103) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031250 k( 104) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031250 k( 105) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0031250 k( 106) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0031250 k( 107) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0031250 k( 108) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0031250 k( 110) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0031250 k( 111) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0031250 k( 112) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0031250 k( 113) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0031250 k( 114) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0031250 k( 115) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0031250 k( 116) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0031250 k( 118) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0031250 k( 119) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0031250 k( 120) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0031250 k( 122) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 144) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0031250 k( 145) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0031250 k( 146) = ( 0.0375000 -0.0000000 0.5000000), wk = 0.0031250 k( 147) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0031250 k( 148) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0031250 k( 149) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0031250 k( 150) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0031250 k( 151) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0031250 k( 152) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0031250 k( 153) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0031250 k( 154) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0031250 k( 155) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0031250 k( 156) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0031250 k( 157) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0031250 k( 158) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0031250 k( 159) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0031250 k( 160) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0031250 k( 161) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0031250 k( 162) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0031250 k( 163) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031250 k( 164) = ( 0.2625000 -0.0000000 0.5000000), wk = 0.0031250 k( 165) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0031250 k( 166) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0031250 k( 167) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0031250 k( 168) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0031250 k( 169) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0031250 k( 170) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0031250 k( 171) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0031250 k( 172) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0031250 k( 173) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0031250 k( 174) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0031250 k( 175) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0031250 k( 176) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0031250 k( 177) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0031250 k( 178) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0031250 k( 179) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0031250 k( 180) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0031250 k( 181) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0031250 k( 182) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0031250 k( 183) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 184) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 185) = ( 0.5000000 0.0250000 0.5000000), wk = 0.0031250 k( 186) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0031250 k( 187) = ( 0.5000000 0.0750000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0031250 k( 190) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0031250 k( 191) = ( 0.5000000 0.1750000 0.5000000), wk = 0.0031250 k( 192) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0031250 k( 193) = ( 0.5000000 0.2250000 0.5000000), wk = 0.0031250 k( 194) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0031250 k( 195) = ( 0.5000000 0.2750000 0.5000000), wk = 0.0031250 k( 196) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0031250 k( 197) = ( 0.5000000 0.3250000 0.5000000), wk = 0.0031250 k( 198) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0031250 k( 199) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0031250 k( 200) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0031250 k( 201) = ( 0.5000000 0.4250000 0.5000000), wk = 0.0031250 k( 202) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0031250 k( 203) = ( 0.5000000 0.4750000 0.5000000), wk = 0.0031250 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 206) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0031250 k( 207) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0031250 k( 208) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0031250 k( 209) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0031250 k( 210) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0031250 k( 211) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0031250 k( 212) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0031250 k( 213) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0031250 k( 214) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0031250 k( 215) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0031250 k( 216) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0031250 k( 217) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0031250 k( 218) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0031250 k( 219) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0031250 k( 220) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0031250 k( 221) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0031250 k( 222) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0031250 k( 223) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0031250 k( 224) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0031250 k( 225) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0031250 k( 226) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0031250 k( 227) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0031250 k( 228) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0031250 k( 229) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0031250 k( 230) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0031250 k( 231) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0031250 k( 232) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0031250 k( 233) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0031250 k( 234) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0031250 k( 235) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0031250 k( 236) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0031250 k( 237) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0031250 k( 238) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0031250 k( 239) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0031250 k( 240) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0031250 k( 241) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0031250 k( 242) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0031250 k( 243) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0031250 k( 244) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0031250 k( 245) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031250 k( 246) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031250 k( 247) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0031250 k( 248) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0031250 k( 249) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0031250 k( 250) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0031250 k( 251) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0031250 k( 252) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0031250 k( 253) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0031250 k( 254) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0031250 k( 255) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0031250 k( 256) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0031250 k( 257) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0031250 k( 258) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0031250 k( 259) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0031250 k( 260) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0031250 k( 261) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0031250 k( 262) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0031250 k( 263) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0031250 k( 264) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0031250 k( 265) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0031250 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 267) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031250 k( 268) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0031250 k( 269) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0031250 k( 270) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0031250 k( 271) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0031250 k( 272) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0031250 k( 273) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0031250 k( 274) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0031250 k( 275) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0031250 k( 276) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0031250 k( 277) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0031250 k( 278) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0031250 k( 279) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0031250 k( 280) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0031250 k( 281) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0031250 k( 282) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0031250 k( 283) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0031250 k( 284) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031250 k( 285) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 286) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0031250 k( 287) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0031250 k( 288) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0031250 k( 289) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0031250 k( 290) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0031250 k( 291) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0031250 k( 292) = ( 0.5000000 -0.0000000 0.2941176), wk = 0.0031250 k( 293) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0031250 k( 294) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0031250 k( 295) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0031250 k( 296) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0031250 k( 297) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0031250 k( 298) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0031250 k( 299) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0031250 k( 300) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0031250 k( 301) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0031250 k( 302) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 303) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031250 k( 304) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0031250 k( 305) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0031250 k( 306) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0031250 k( 307) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0031250 k( 308) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0031250 k( 309) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0031250 k( 310) = ( 0.5000000 0.5000000 0.2058824), wk = 0.0031250 k( 311) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0031250 k( 312) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0031250 k( 313) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0031250 k( 314) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0031250 k( 315) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0031250 k( 316) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0031250 k( 317) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0031250 k( 318) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0031250 k( 319) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0031250 k( 320) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 Dense grid: 135771 G-vectors FFT dimensions: ( 40, 80, 96) Smooth grid: 100759 G-vectors FFT dimensions: ( 36, 72, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 532, 86) NL pseudopotentials 1.33 Mb ( 266, 328) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2831) G-vector shells 0.01 Mb ( 1439) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.79 Mb ( 532, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.86 Mb ( 328, 2, 86) The potential is recalculated from file : ./SbSBr.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 55.2 secs Computing kpt #: 2 total cpu time spent up to now is 65.9 secs Computing kpt #: 3 total cpu time spent up to now is 76.6 secs Computing kpt #: 4 total cpu time spent up to now is 86.7 secs Computing kpt #: 5 total cpu time spent up to now is 96.5 secs Computing kpt #: 6 total cpu time spent up to now is 105.8 secs Computing kpt #: 7 total cpu time spent up to now is 114.9 secs Computing kpt #: 8 total cpu time spent up to now is 123.0 secs Computing kpt #: 9 total cpu time spent up to now is 130.9 secs Computing kpt #: 10 total cpu time spent up to now is 138.6 secs Computing kpt #: 11 total cpu time spent up to now is 146.1 secs Computing kpt #: 12 total cpu time spent up to now is 153.8 secs Computing kpt #: 13 total cpu time spent up to now is 161.5 secs Computing kpt #: 14 total cpu time spent up to now is 169.4 secs Computing kpt #: 15 total cpu time spent up to now is 177.4 secs Computing kpt #: 16 total cpu time spent up to now is 185.3 secs Computing kpt #: 17 total cpu time spent up to now is 193.3 secs Computing kpt #: 18 total cpu time spent up to now is 201.5 secs Computing kpt #: 19 total cpu time spent up to now is 209.6 secs Computing kpt #: 20 total cpu time spent up to now is 217.7 secs Computing kpt #: 21 total cpu time spent up to now is 225.8 secs Computing kpt #: 22 total cpu time spent up to now is 234.0 secs Computing kpt #: 23 total cpu time spent up to now is 242.1 secs Computing kpt #: 24 total cpu time spent up to now is 250.4 secs Computing kpt #: 25 total cpu time spent up to now is 258.7 secs Computing kpt #: 26 total cpu time spent up to now is 266.8 secs Computing kpt #: 27 total cpu time spent up to now is 275.1 secs Computing kpt #: 28 total cpu time spent up to now is 283.6 secs Computing kpt #: 29 total cpu time spent up to now is 292.3 secs Computing kpt #: 30 total cpu time spent up to now is 301.4 secs Computing kpt #: 31 total cpu time spent up to now is 311.6 secs Computing kpt #: 32 total cpu time spent up to now is 320.2 secs Computing kpt #: 33 total cpu time spent up to now is 329.1 secs Computing kpt #: 34 total cpu time spent up to now is 338.4 secs Computing kpt #: 35 total cpu time spent up to now is 347.4 secs Computing kpt #: 36 total cpu time spent up to now is 355.9 secs Computing kpt #: 37 total cpu time spent up to now is 364.4 secs Computing kpt #: 38 total cpu time spent up to now is 373.1 secs Computing kpt #: 39 total cpu time spent up to now is 381.8 secs Computing kpt #: 40 total cpu time spent up to now is 390.7 secs Computing kpt #: 41 total cpu time spent up to now is 398.5 secs Computing kpt #: 42 total cpu time spent up to now is 406.5 secs Computing kpt #: 43 total cpu time spent up to now is 415.8 secs Computing kpt #: 44 total cpu time spent up to now is 424.7 secs Computing kpt #: 45 total cpu time spent up to now is 434.0 secs Computing kpt #: 46 total cpu time spent up to now is 443.4 secs Computing kpt #: 47 total cpu time spent up to now is 452.9 secs Computing kpt #: 48 total cpu time spent up to now is 461.6 secs Computing kpt #: 49 total cpu time spent up to now is 470.4 secs Computing kpt #: 50 total cpu time spent up to now is 479.9 secs Computing kpt #: 51 total cpu time spent up to now is 489.4 secs Computing kpt #: 52 total cpu time spent up to now is 498.9 secs Computing kpt #: 53 total cpu time spent up to now is 507.7 secs Computing kpt #: 54 total cpu time spent up to now is 516.4 secs Computing kpt #: 55 total cpu time spent up to now is 525.4 secs Computing kpt #: 56 total cpu time spent up to now is 534.3 secs Computing kpt #: 57 total cpu time spent up to now is 543.2 secs Computing kpt #: 58 total cpu time spent up to now is 552.3 secs Computing kpt #: 59 total cpu time spent up to now is 561.3 secs Computing kpt #: 60 total cpu time spent up to now is 570.5 secs Computing kpt #: 61 total cpu time spent up to now is 579.5 secs Computing kpt #: 62 total cpu time spent up to now is 588.5 secs Computing kpt #: 63 total cpu time spent up to now is 597.4 secs Computing kpt #: 64 total cpu time spent up to now is 607.5 secs Computing kpt #: 65 total cpu time spent up to now is 616.5 secs Computing kpt #: 66 total cpu time spent up to now is 625.3 secs Computing kpt #: 67 total cpu time spent up to now is 633.9 secs Computing kpt #: 68 total cpu time spent up to now is 642.3 secs Computing kpt #: 69 total cpu time spent up to now is 650.7 secs Computing kpt #: 70 total cpu time spent up to now is 658.9 secs Computing kpt #: 71 total cpu time spent up to now is 667.1 secs Computing kpt #: 72 total cpu time spent up to now is 675.5 secs Computing kpt #: 73 total cpu time spent up to now is 683.9 secs Computing kpt #: 74 total cpu time spent up to now is 692.4 secs Computing kpt #: 75 total cpu time spent up to now is 700.8 secs Computing kpt #: 76 total cpu time spent up to now is 709.1 secs Computing kpt #: 77 total cpu time spent up to now is 717.4 secs Computing kpt #: 78 total cpu time spent up to now is 725.7 secs Computing kpt #: 79 total cpu time spent up to now is 734.2 secs Computing kpt #: 80 total cpu time spent up to now is 742.5 secs Computing kpt #: 81 total cpu time spent up to now is 750.9 secs Computing kpt #: 82 total cpu time spent up to now is 759.3 secs Computing kpt #: 83 total cpu time spent up to now is 767.8 secs Computing kpt #: 84 total cpu time spent up to now is 776.4 secs Computing kpt #: 85 total cpu time spent up to now is 784.9 secs Computing kpt #: 86 total cpu time spent up to now is 794.2 secs Computing kpt #: 87 total cpu time spent up to now is 803.2 secs Computing kpt #: 88 total cpu time spent up to now is 812.4 secs Computing kpt #: 89 total cpu time spent up to now is 821.5 secs Computing kpt #: 90 total cpu time spent up to now is 830.7 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.1 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 861.2 secs Computing kpt #: 93 total cpu time spent up to now is 874.5 secs Computing kpt #: 94 total cpu time spent up to now is 887.3 secs Computing kpt #: 95 total cpu time spent up to now is 898.3 secs Computing kpt #: 96 total cpu time spent up to now is 911.5 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 926.6 secs Computing kpt #: 98 total cpu time spent up to now is 937.2 secs Computing kpt #: 99 total cpu time spent up to now is 947.3 secs Computing kpt #: 100 total cpu time spent up to now is 958.6 secs Computing kpt #: 101 total cpu time spent up to now is 969.0 secs Computing kpt #: 102 total cpu time spent up to now is 980.5 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 995.4 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1010.3 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1025.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1041.1 secs Computing kpt #: 107 total cpu time spent up to now is 1051.6 secs Computing kpt #: 108 total cpu time spent up to now is 1062.1 secs Computing kpt #: 109 total cpu time spent up to now is 1072.9 secs Computing kpt #: 110 total cpu time spent up to now is 1083.2 secs Computing kpt #: 111 total cpu time spent up to now is 1092.8 secs Computing kpt #: 112 total cpu time spent up to now is 1102.4 secs Computing kpt #: 113 total cpu time spent up to now is 1112.1 secs Computing kpt #: 114 total cpu time spent up to now is 1121.6 secs Computing kpt #: 115 total cpu time spent up to now is 1131.2 secs Computing kpt #: 116 total cpu time spent up to now is 1141.2 secs Computing kpt #: 117 total cpu time spent up to now is 1151.1 secs Computing kpt #: 118 total cpu time spent up to now is 1161.4 secs Computing kpt #: 119 total cpu time spent up to now is 1172.5 secs Computing kpt #: 120 total cpu time spent up to now is 1183.7 secs Computing kpt #: 121 total cpu time spent up to now is 1194.9 secs Computing kpt #: 122 total cpu time spent up to now is 1210.3 secs Computing kpt #: 123 total cpu time spent up to now is 1222.9 secs Computing kpt #: 124 total cpu time spent up to now is 1235.5 secs Computing kpt #: 125 total cpu time spent up to now is 1248.1 secs Computing kpt #: 126 total cpu time spent up to now is 1261.3 secs Computing kpt #: 127 total cpu time spent up to now is 1274.4 secs Computing kpt #: 128 total cpu time spent up to now is 1287.8 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1303.1 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1318.4 secs Computing kpt #: 131 total cpu time spent up to now is 1329.5 secs Computing kpt #: 132 total cpu time spent up to now is 1339.4 secs Computing kpt #: 133 total cpu time spent up to now is 1349.4 secs Computing kpt #: 134 total cpu time spent up to now is 1359.3 secs Computing kpt #: 135 total cpu time spent up to now is 1369.1 secs Computing kpt #: 136 total cpu time spent up to now is 1379.1 secs Computing kpt #: 137 total cpu time spent up to now is 1389.1 secs Computing kpt #: 138 total cpu time spent up to now is 1399.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1414.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1429.2 secs Computing kpt #: 141 total cpu time spent up to now is 1439.1 secs Computing kpt #: 142 total cpu time spent up to now is 1448.6 secs Computing kpt #: 143 total cpu time spent up to now is 1457.9 secs Computing kpt #: 144 total cpu time spent up to now is 1468.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1483.6 secs Computing kpt #: 146 total cpu time spent up to now is 1492.7 secs Computing kpt #: 147 total cpu time spent up to now is 1506.1 secs Computing kpt #: 148 total cpu time spent up to now is 1517.6 secs Computing kpt #: 149 total cpu time spent up to now is 1528.5 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1543.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1558.4 secs Computing kpt #: 152 total cpu time spent up to now is 1571.4 secs Computing kpt #: 153 total cpu time spent up to now is 1581.1 secs Computing kpt #: 154 total cpu time spent up to now is 1590.9 secs Computing kpt #: 155 total cpu time spent up to now is 1601.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1616.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1631.0 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1645.6 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1660.4 secs Computing kpt #: 160 total cpu time spent up to now is 1669.8 secs Computing kpt #: 161 total cpu time spent up to now is 1679.4 secs Computing kpt #: 162 total cpu time spent up to now is 1690.2 secs Computing kpt #: 163 total cpu time spent up to now is 1699.7 secs Computing kpt #: 164 total cpu time spent up to now is 1709.5 secs Computing kpt #: 165 total cpu time spent up to now is 1719.3 secs Computing kpt #: 166 total cpu time spent up to now is 1729.2 secs Computing kpt #: 167 total cpu time spent up to now is 1738.9 secs Computing kpt #: 168 total cpu time spent up to now is 1748.4 secs Computing kpt #: 169 total cpu time spent up to now is 1757.8 secs Computing kpt #: 170 total cpu time spent up to now is 1767.4 secs Computing kpt #: 171 total cpu time spent up to now is 1776.9 secs Computing kpt #: 172 total cpu time spent up to now is 1786.4 secs Computing kpt #: 173 total cpu time spent up to now is 1795.7 secs Computing kpt #: 174 total cpu time spent up to now is 1806.9 secs Computing kpt #: 175 total cpu time spent up to now is 1816.6 secs Computing kpt #: 176 total cpu time spent up to now is 1825.9 secs Computing kpt #: 177 total cpu time spent up to now is 1835.5 secs Computing kpt #: 178 total cpu time spent up to now is 1845.0 secs Computing kpt #: 179 total cpu time spent up to now is 1854.6 secs Computing kpt #: 180 total cpu time spent up to now is 1864.0 secs Computing kpt #: 181 total cpu time spent up to now is 1873.8 secs Computing kpt #: 182 total cpu time spent up to now is 1883.8 secs Computing kpt #: 183 total cpu time spent up to now is 1892.8 secs Computing kpt #: 184 total cpu time spent up to now is 1901.6 secs Computing kpt #: 185 total cpu time spent up to now is 1910.8 secs Computing kpt #: 186 total cpu time spent up to now is 1920.0 secs Computing kpt #: 187 total cpu time spent up to now is 1928.8 secs Computing kpt #: 188 total cpu time spent up to now is 1937.6 secs Computing kpt #: 189 total cpu time spent up to now is 1946.1 secs Computing kpt #: 190 total cpu time spent up to now is 1954.7 secs Computing kpt #: 191 total cpu time spent up to now is 1963.7 secs Computing kpt #: 192 total cpu time spent up to now is 1972.6 secs Computing kpt #: 193 total cpu time spent up to now is 1981.3 secs Computing kpt #: 194 total cpu time spent up to now is 1990.0 secs Computing kpt #: 195 total cpu time spent up to now is 1998.9 secs Computing kpt #: 196 total cpu time spent up to now is 2007.7 secs Computing kpt #: 197 total cpu time spent up to now is 2016.5 secs Computing kpt #: 198 total cpu time spent up to now is 2025.3 secs Computing kpt #: 199 total cpu time spent up to now is 2034.2 secs Computing kpt #: 200 total cpu time spent up to now is 2044.0 secs Computing kpt #: 201 total cpu time spent up to now is 2053.5 secs Computing kpt #: 202 total cpu time spent up to now is 2062.9 secs Computing kpt #: 203 total cpu time spent up to now is 2072.2 secs Computing kpt #: 204 total cpu time spent up to now is 2080.6 secs Computing kpt #: 205 total cpu time spent up to now is 2089.0 secs Computing kpt #: 206 total cpu time spent up to now is 2098.4 secs Computing kpt #: 207 total cpu time spent up to now is 2110.2 secs Computing kpt #: 208 total cpu time spent up to now is 2119.5 secs Computing kpt #: 209 total cpu time spent up to now is 2129.4 secs Computing kpt #: 210 total cpu time spent up to now is 2138.7 secs Computing kpt #: 211 total cpu time spent up to now is 2148.0 secs Computing kpt #: 212 total cpu time spent up to now is 2157.4 secs Computing kpt #: 213 total cpu time spent up to now is 2166.2 secs Computing kpt #: 214 total cpu time spent up to now is 2175.0 secs Computing kpt #: 215 total cpu time spent up to now is 2183.6 secs Computing kpt #: 216 total cpu time spent up to now is 2192.2 secs Computing kpt #: 217 total cpu time spent up to now is 2201.5 secs Computing kpt #: 218 total cpu time spent up to now is 2210.0 secs Computing kpt #: 219 total cpu time spent up to now is 2219.4 secs Computing kpt #: 220 total cpu time spent up to now is 2228.6 secs Computing kpt #: 221 total cpu time spent up to now is 2237.9 secs Computing kpt #: 222 total cpu time spent up to now is 2246.4 secs Computing kpt #: 223 total cpu time spent up to now is 2256.7 secs Computing kpt #: 224 total cpu time spent up to now is 2266.9 secs Computing kpt #: 225 total cpu time spent up to now is 2277.6 secs Computing kpt #: 226 total cpu time spent up to now is 2287.9 secs Computing kpt #: 227 total cpu time spent up to now is 2299.7 secs Computing kpt #: 228 total cpu time spent up to now is 2311.7 secs Computing kpt #: 229 total cpu time spent up to now is 2321.3 secs Computing kpt #: 230 total cpu time spent up to now is 2331.4 secs Computing kpt #: 231 total cpu time spent up to now is 2340.5 secs Computing kpt #: 232 total cpu time spent up to now is 2350.1 secs Computing kpt #: 233 total cpu time spent up to now is 2359.1 secs Computing kpt #: 234 total cpu time spent up to now is 2368.2 secs Computing kpt #: 235 total cpu time spent up to now is 2377.0 secs Computing kpt #: 236 total cpu time spent up to now is 2385.9 secs Computing kpt #: 237 total cpu time spent up to now is 2394.8 secs Computing kpt #: 238 total cpu time spent up to now is 2404.7 secs Computing kpt #: 239 total cpu time spent up to now is 2413.7 secs Computing kpt #: 240 total cpu time spent up to now is 2423.0 secs Computing kpt #: 241 total cpu time spent up to now is 2432.4 secs Computing kpt #: 242 total cpu time spent up to now is 2441.8 secs Computing kpt #: 243 total cpu time spent up to now is 2451.7 secs Computing kpt #: 244 total cpu time spent up to now is 2464.5 secs Computing kpt #: 245 total cpu time spent up to now is 2471.9 secs Computing kpt #: 246 total cpu time spent up to now is 2479.8 secs Computing kpt #: 247 total cpu time spent up to now is 2493.5 secs Computing kpt #: 248 total cpu time spent up to now is 2503.1 secs Computing kpt #: 249 total cpu time spent up to now is 2512.9 secs Computing kpt #: 250 total cpu time spent up to now is 2522.4 secs Computing kpt #: 251 total cpu time spent up to now is 2531.8 secs Computing kpt #: 252 total cpu time spent up to now is 2541.0 secs Computing kpt #: 253 total cpu time spent up to now is 2550.4 secs Computing kpt #: 254 total cpu time spent up to now is 2559.4 secs Computing kpt #: 255 total cpu time spent up to now is 2568.8 secs Computing kpt #: 256 total cpu time spent up to now is 2578.3 secs Computing kpt #: 257 total cpu time spent up to now is 2587.3 secs Computing kpt #: 258 total cpu time spent up to now is 2596.8 secs Computing kpt #: 259 total cpu time spent up to now is 2605.9 secs Computing kpt #: 260 total cpu time spent up to now is 2615.8 secs Computing kpt #: 261 total cpu time spent up to now is 2625.6 secs Computing kpt #: 262 total cpu time spent up to now is 2636.6 secs Computing kpt #: 263 total cpu time spent up to now is 2646.0 secs Computing kpt #: 264 total cpu time spent up to now is 2655.9 secs Computing kpt #: 265 total cpu time spent up to now is 2665.2 secs Computing kpt #: 266 total cpu time spent up to now is 2675.8 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2690.4 secs Computing kpt #: 268 total cpu time spent up to now is 2705.1 secs Computing kpt #: 269 total cpu time spent up to now is 2715.4 secs Computing kpt #: 270 total cpu time spent up to now is 2725.2 secs Computing kpt #: 271 total cpu time spent up to now is 2735.5 secs Computing kpt #: 272 total cpu time spent up to now is 2745.3 secs Computing kpt #: 273 total cpu time spent up to now is 2754.8 secs Computing kpt #: 274 total cpu time spent up to now is 2764.5 secs Computing kpt #: 275 total cpu time spent up to now is 2774.3 secs Computing kpt #: 276 total cpu time spent up to now is 2784.9 secs Computing kpt #: 277 total cpu time spent up to now is 2794.6 secs Computing kpt #: 278 total cpu time spent up to now is 2804.3 secs Computing kpt #: 279 total cpu time spent up to now is 2814.0 secs Computing kpt #: 280 total cpu time spent up to now is 2824.1 secs Computing kpt #: 281 total cpu time spent up to now is 2833.7 secs Computing kpt #: 282 total cpu time spent up to now is 2844.5 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2859.4 secs Computing kpt #: 284 total cpu time spent up to now is 2866.6 secs Computing kpt #: 285 total cpu time spent up to now is 2875.9 secs Computing kpt #: 286 total cpu time spent up to now is 2885.1 secs Computing kpt #: 287 total cpu time spent up to now is 2893.7 secs Computing kpt #: 288 total cpu time spent up to now is 2903.0 secs Computing kpt #: 289 total cpu time spent up to now is 2912.2 secs Computing kpt #: 290 total cpu time spent up to now is 2920.9 secs Computing kpt #: 291 total cpu time spent up to now is 2930.1 secs Computing kpt #: 292 total cpu time spent up to now is 2938.5 secs Computing kpt #: 293 total cpu time spent up to now is 2947.3 secs Computing kpt #: 294 total cpu time spent up to now is 2956.2 secs Computing kpt #: 295 total cpu time spent up to now is 2964.9 secs Computing kpt #: 296 total cpu time spent up to now is 2973.7 secs Computing kpt #: 297 total cpu time spent up to now is 2982.4 secs Computing kpt #: 298 total cpu time spent up to now is 2991.2 secs Computing kpt #: 299 total cpu time spent up to now is 3000.0 secs Computing kpt #: 300 total cpu time spent up to now is 3009.5 secs Computing kpt #: 301 total cpu time spent up to now is 3018.2 secs Computing kpt #: 302 total cpu time spent up to now is 3025.9 secs Computing kpt #: 303 total cpu time spent up to now is 3034.9 secs Computing kpt #: 304 total cpu time spent up to now is 3043.9 secs Computing kpt #: 305 total cpu time spent up to now is 3053.1 secs Computing kpt #: 306 total cpu time spent up to now is 3062.1 secs Computing kpt #: 307 total cpu time spent up to now is 3071.0 secs Computing kpt #: 308 total cpu time spent up to now is 3080.0 secs Computing kpt #: 309 total cpu time spent up to now is 3089.1 secs Computing kpt #: 310 total cpu time spent up to now is 3098.2 secs Computing kpt #: 311 total cpu time spent up to now is 3107.3 secs Computing kpt #: 312 total cpu time spent up to now is 3116.5 secs Computing kpt #: 313 total cpu time spent up to now is 3125.4 secs Computing kpt #: 314 total cpu time spent up to now is 3134.4 secs Computing kpt #: 315 total cpu time spent up to now is 3143.4 secs Computing kpt #: 316 total cpu time spent up to now is 3152.8 secs Computing kpt #: 317 total cpu time spent up to now is 3162.3 secs Computing kpt #: 318 total cpu time spent up to now is 3171.8 secs Computing kpt #: 319 total cpu time spent up to now is 3181.3 secs Computing kpt #: 320 total cpu time spent up to now is 3189.6 secs ethr = 1.39E-11, avg # of iterations = 51.7 total cpu time spent up to now is 3189.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -9.8534 -9.8534 -9.4096 -9.4096 -9.3482 -9.3482 -9.1785 -9.1785 -8.7588 -8.7588 -8.3632 -8.3632 -7.1437 -7.1437 -7.0595 -7.0595 -4.0803 -4.0803 -3.9142 -3.9142 -2.5027 -2.5027 -1.7267 -1.7267 0.5986 0.5986 0.6218 0.6218 1.2638 1.2638 1.4438 1.4438 1.5540 1.5540 1.7402 1.7402 1.7971 1.7971 1.9255 1.9255 2.7230 2.7230 3.0248 3.0248 3.0640 3.0640 3.1401 3.1401 3.1570 3.1570 3.2232 3.2232 3.3986 3.3986 3.4168 3.4168 3.4644 3.4644 3.5857 3.5857 3.6577 3.6577 3.6931 3.6931 3.8111 3.8111 4.4241 4.4241 4.5177 4.5177 4.6630 4.6630 6.5268 6.5268 6.9210 6.9210 7.3941 7.3941 7.5007 7.5007 7.6954 7.6954 7.7851 7.7851 8.0554 8.0554 k = 0.0125-0.0000-0.0000 ( 12627 PWs) bands (ev): -9.8525 -9.8525 -9.4090 -9.4090 -9.3477 -9.3477 -9.1782 -9.1782 -8.7580 -8.7580 -8.3628 -8.3628 -7.1434 -7.1434 -7.0593 -7.0593 -4.0806 -4.0806 -3.9150 -3.9150 -2.5029 -2.5029 -1.7279 -1.7279 0.5992 0.5992 0.6209 0.6209 1.2587 1.2587 1.4402 1.4402 1.5520 1.5520 1.7358 1.7358 1.7964 1.7964 1.9283 1.9283 2.7190 2.7190 3.0150 3.0150 3.0475 3.0475 3.1447 3.1447 3.1526 3.1526 3.2269 3.2269 3.3782 3.3782 3.4142 3.4142 3.4885 3.4885 3.5742 3.5742 3.6694 3.6694 3.7069 3.7069 3.8146 3.8146 4.4259 4.4259 4.5166 4.5166 4.6640 4.6640 6.5307 6.5307 6.9243 6.9243 7.3918 7.3918 7.5050 7.5050 7.6953 7.6953 7.7865 7.7865 8.0517 8.0517 k = 0.0250-0.0000-0.0000 ( 12629 PWs) bands (ev): -9.8500 -9.8500 -9.4070 -9.4070 -9.3464 -9.3464 -9.1772 -9.1772 -8.7558 -8.7558 -8.3614 -8.3614 -7.1424 -7.1424 -7.0588 -7.0588 -4.0815 -4.0815 -3.9173 -3.9173 -2.5035 -2.5035 -1.7314 -1.7314 0.6010 0.6010 0.6183 0.6183 1.2437 1.2437 1.4291 1.4291 1.5453 1.5453 1.7241 1.7241 1.7949 1.7949 1.9360 1.9360 2.7054 2.7054 2.9784 2.9784 3.0249 3.0249 3.1254 3.1254 3.1557 3.1557 3.2381 3.2381 3.3513 3.3513 3.4062 3.4062 3.5070 3.5070 3.5752 3.5752 3.6947 3.6947 3.7416 3.7416 3.8244 3.8244 4.4310 4.4310 4.5133 4.5133 4.6671 4.6671 6.5421 6.5421 6.9342 6.9342 7.3863 7.3863 7.5164 7.5164 7.6953 7.6953 7.7904 7.7904 8.0416 8.0416 k = 0.0375-0.0000-0.0000 ( 12629 PWs) bands (ev): -9.8458 -9.8458 -9.4039 -9.4039 -9.3442 -9.3442 -9.1755 -9.1755 -8.7520 -8.7520 -8.3590 -8.3590 -7.1406 -7.1406 -7.0579 -7.0579 -4.0831 -4.0831 -3.9211 -3.9211 -2.5045 -2.5045 -1.7373 -1.7373 0.6039 0.6039 0.6139 0.6139 1.2197 1.2197 1.4094 1.4094 1.5322 1.5322 1.7099 1.7099 1.7938 1.7938 1.9474 1.9474 2.6786 2.6786 2.9239 2.9239 3.0025 3.0025 3.0885 3.0885 3.1600 3.1600 3.2485 3.2485 3.3320 3.3320 3.3951 3.3951 3.4868 3.4868 3.6177 3.6177 3.7272 3.7272 3.7874 3.7874 3.8397 3.8397 4.4377 4.4377 4.5086 4.5086 4.6723 4.6723 6.5611 6.5611 6.9505 6.9505 7.3801 7.3801 7.5307 7.5307 7.6968 7.6968 7.7955 7.7955 8.0269 8.0269 k = 0.0500-0.0000-0.0000 ( 12617 PWs) bands (ev): -9.8399 -9.8399 -9.3994 -9.3994 -9.3412 -9.3412 -9.1732 -9.1732 -8.7468 -8.7468 -8.3557 -8.3557 -7.1383 -7.1383 -7.0566 -7.0566 -4.0853 -4.0853 -3.9263 -3.9263 -2.5059 -2.5059 -1.7456 -1.7456 0.6057 0.6057 0.6100 0.6100 1.1877 1.1877 1.3793 1.3793 1.5114 1.5114 1.6985 1.6985 1.7937 1.7937 1.9609 1.9609 2.6376 2.6376 2.8598 2.8598 2.9747 2.9747 3.0466 3.0466 3.1624 3.1624 3.2492 3.2492 3.3209 3.3209 3.3850 3.3850 3.4611 3.4611 3.6705 3.6705 3.7611 3.7611 3.8364 3.8364 3.8639 3.8639 4.4429 4.4429 4.5044 4.5044 4.6796 4.6796 6.5871 6.5871 6.9731 6.9731 7.3749 7.3749 7.5433 7.5433 7.7023 7.7023 7.7998 7.7998 8.0093 8.0093 k = 0.0625-0.0000-0.0000 ( 12629 PWs) bands (ev): -9.8324 -9.8324 -9.3938 -9.3938 -9.3373 -9.3373 -9.1702 -9.1702 -8.7400 -8.7400 -8.3515 -8.3515 -7.1354 -7.1354 -7.0551 -7.0551 -4.0881 -4.0881 -3.9330 -3.9330 -2.5079 -2.5079 -1.7564 -1.7564 0.5986 0.5986 0.6144 0.6144 1.1491 1.1491 1.3372 1.3372 1.4837 1.4837 1.6935 1.6935 1.7952 1.7952 1.9752 1.9752 2.5851 2.5851 2.7877 2.7877 2.9399 2.9399 3.0031 3.0031 3.1613 3.1613 3.2367 3.2367 3.3153 3.3153 3.3823 3.3823 3.4421 3.4421 3.7242 3.7242 3.7918 3.7918 3.8675 3.8675 3.9149 3.9149 4.4416 4.4416 4.5043 4.5043 4.6888 4.6888 6.6198 6.6198 7.0016 7.0016 7.3722 7.3722 7.5497 7.5497 7.7143 7.7143 7.8018 7.8018 7.9902 7.9902 k = 0.0750-0.0000-0.0000 ( 12617 PWs) bands (ev): -9.8233 -9.8233 -9.3869 -9.3869 -9.3326 -9.3326 -9.1667 -9.1667 -8.7317 -8.7317 -8.3464 -8.3464 -7.1319 -7.1319 -7.0534 -7.0534 -4.0914 -4.0914 -3.9409 -3.9409 -2.5105 -2.5105 -1.7698 -1.7698 0.5884 0.5884 0.6208 0.6208 1.1054 1.1054 1.2831 1.2831 1.4513 1.4513 1.6950 1.6950 1.7983 1.7983 1.9891 1.9891 2.5252 2.5252 2.7100 2.7100 2.8967 2.8967 2.9585 2.9585 3.1518 3.1518 3.2189 3.2189 3.3060 3.3060 3.3859 3.3859 3.4401 3.4401 3.7755 3.7755 3.8171 3.8171 3.8899 3.8899 3.9798 3.9798 4.4310 4.4310 4.5099 4.5099 4.6999 4.6999 6.6587 6.6587 7.0358 7.0358 7.3725 7.3725 7.5482 7.5482 7.7312 7.7312 7.8031 7.8031 7.9709 7.9709 k = 0.0875-0.0000-0.0000 ( 12621 PWs) bands (ev): -9.8125 -9.8125 -9.3789 -9.3789 -9.3271 -9.3271 -9.1625 -9.1625 -8.7219 -8.7219 -8.3404 -8.3404 -7.1280 -7.1280 -7.0516 -7.0516 -4.0953 -4.0953 -3.9502 -3.9502 -2.5139 -2.5139 -1.7859 -1.7859 0.5762 0.5762 0.6282 0.6282 1.0578 1.0578 1.2191 1.2191 1.4157 1.4157 1.7018 1.7018 1.8028 1.8028 2.0020 2.0020 2.4614 2.4614 2.6301 2.6301 2.8446 2.8446 2.9127 2.9127 3.1278 3.1278 3.2067 3.2067 3.2911 3.2911 3.3842 3.3842 3.4636 3.4636 3.8209 3.8209 3.8378 3.8378 3.9113 3.9113 4.0476 4.0476 4.4123 4.4123 4.5186 4.5186 4.7129 4.7129 6.7032 6.7032 7.0750 7.0750 7.3764 7.3764 7.5405 7.5405 7.7430 7.7430 7.8107 7.8107 7.9544 7.9544 k = 0.1000-0.0000-0.0000 ( 12609 PWs) bands (ev): -9.8002 -9.8002 -9.3698 -9.3698 -9.3208 -9.3208 -9.1577 -9.1577 -8.7105 -8.7105 -8.3334 -8.3334 -7.1236 -7.1236 -7.0497 -7.0497 -4.0998 -4.0998 -3.9606 -3.9606 -2.5181 -2.5181 -1.8047 -1.8047 0.5619 0.5619 0.6366 0.6366 1.0077 1.0077 1.1478 1.1478 1.3769 1.3769 1.7126 1.7126 1.8083 1.8083 2.0131 2.0131 2.3957 2.3957 2.5511 2.5511 2.7851 2.7851 2.8659 2.8659 3.0919 3.0919 3.2001 3.2001 3.2742 3.2742 3.3811 3.3811 3.5013 3.5013 3.8457 3.8457 3.8673 3.8673 3.9319 3.9319 4.1149 4.1149 4.3877 4.3877 4.5276 4.5276 4.7274 4.7274 6.7526 6.7526 7.1184 7.1184 7.3837 7.3837 7.5300 7.5300 7.7402 7.7402 7.8280 7.8280 7.9471 7.9471 k = 0.1125-0.0000-0.0000 ( 12621 PWs) bands (ev): -9.7864 -9.7864 -9.3597 -9.3597 -9.3138 -9.3138 -9.1524 -9.1524 -8.6976 -8.6976 -8.3256 -8.3256 -7.1190 -7.1190 -7.0478 -7.0478 -4.1047 -4.1047 -3.9719 -3.9719 -2.5234 -2.5234 -1.8265 -1.8265 0.5455 0.5455 0.6454 0.6454 0.9564 0.9564 1.0721 1.0721 1.3345 1.3345 1.7264 1.7264 1.8142 1.8142 2.0219 2.0219 2.3285 2.3285 2.4762 2.4762 2.7201 2.7201 2.8186 2.8186 3.0507 3.0507 3.1919 3.1919 3.2601 3.2601 3.3806 3.3806 3.5431 3.5431 3.8547 3.8547 3.9000 3.9000 3.9511 3.9511 4.1800 4.1800 4.3581 4.3581 4.5353 4.5353 4.7434 4.7434 6.8064 6.8064 7.1646 7.1646 7.3940 7.3940 7.5203 7.5203 7.7267 7.7267 7.8417 7.8417 7.9592 7.9592 k = 0.1250-0.0000-0.0000 ( 12603 PWs) bands (ev): -9.7711 -9.7711 -9.3486 -9.3486 -9.3061 -9.3061 -9.1465 -9.1465 -8.6832 -8.6832 -8.3168 -8.3168 -7.1141 -7.1141 -7.0461 -7.0461 -4.1100 -4.1100 -3.9842 -3.9842 -2.5299 -2.5299 -1.8512 -1.8512 0.5271 0.5271 0.6540 0.6540 0.9051 0.9051 0.9941 0.9941 1.2884 1.2884 1.7422 1.7422 1.8199 1.8199 2.0275 2.0275 2.2604 2.2604 2.4085 2.4085 2.6512 2.6512 2.7717 2.7717 3.0079 3.0079 3.1767 3.1767 3.2533 3.2533 3.3829 3.3829 3.5837 3.5837 3.8584 3.8584 3.9254 3.9254 3.9685 3.9685 4.2412 4.2412 4.3245 4.3245 4.5408 4.5408 4.7602 4.7602 6.8637 6.8637 7.2110 7.2110 7.4065 7.4065 7.5159 7.5159 7.7075 7.7075 7.8460 7.8460 7.9926 7.9926 k = 0.1375-0.0000-0.0000 ( 12595 PWs) bands (ev): -9.7543 -9.7543 -9.3365 -9.3365 -9.2978 -9.2978 -9.1402 -9.1402 -8.6671 -8.6671 -8.3072 -8.3072 -7.1092 -7.1092 -7.0447 -7.0447 -4.1157 -4.1157 -3.9971 -3.9971 -2.5377 -2.5377 -1.8791 -1.8791 0.5067 0.5067 0.6611 0.6611 0.8558 0.8558 0.9156 0.9156 1.2388 1.2388 1.7589 1.7589 1.8245 1.8245 2.0283 2.0283 2.1938 2.1938 2.3496 2.3496 2.5799 2.5799 2.7262 2.7262 2.9658 2.9658 3.1553 3.1553 3.2536 3.2536 3.3872 3.3872 3.6197 3.6197 3.8577 3.8577 3.9427 3.9427 3.9841 3.9841 4.2834 4.2834 4.3012 4.3012 4.5439 4.5439 4.7775 4.7775 6.9239 6.9239 7.2527 7.2527 7.4222 7.4222 7.5213 7.5213 7.6852 7.6852 7.8484 7.8484 8.0383 8.0383 k = 0.1500-0.0000-0.0000 ( 12585 PWs) bands (ev): -9.7361 -9.7361 -9.3237 -9.3237 -9.2888 -9.2888 -9.1334 -9.1334 -8.6495 -8.6495 -8.2967 -8.2967 -7.1043 -7.1043 -7.0437 -7.0437 -4.1217 -4.1217 -4.0105 -4.0105 -2.5472 -2.5472 -1.9102 -1.9102 0.4845 0.4845 0.6634 0.6634 0.8106 0.8106 0.8393 0.8393 1.1861 1.1861 1.7732 1.7732 1.8277 1.8277 2.0197 2.0197 2.1362 2.1362 2.2996 2.2996 2.5076 2.5076 2.6831 2.6831 2.9257 2.9257 3.1311 3.1311 3.2581 3.2581 3.3925 3.3925 3.6485 3.6485 3.8532 3.8532 3.9519 3.9519 3.9978 3.9978 4.2453 4.2453 4.3491 4.3491 4.5448 4.5448 4.7946 4.7946 6.9860 6.9860 7.2823 7.2823 7.4461 7.4461 7.5379 7.5379 7.6627 7.6627 7.8548 7.8548 8.0888 8.0888 k = 0.1625-0.0000-0.0000 ( 12581 PWs) bands (ev): -9.7166 -9.7166 -9.3100 -9.3100 -9.2793 -9.2793 -9.1262 -9.1262 -8.6303 -8.6303 -8.2853 -8.2853 -7.0997 -7.0997 -7.0433 -7.0433 -4.1278 -4.1278 -4.0242 -4.0242 -2.5584 -2.5584 -1.9445 -1.9445 0.4605 0.4605 0.6545 0.6545 0.7547 0.7547 0.7875 0.7875 1.1312 1.1312 1.7758 1.7758 1.8332 1.8332 1.9950 1.9950 2.1004 2.1004 2.2576 2.2576 2.4354 2.4354 2.6433 2.6433 2.8885 2.8885 3.1068 3.1068 3.2649 3.2649 3.3984 3.3984 3.6676 3.6676 3.8449 3.8449 3.9535 3.9535 4.0101 4.0101 4.2027 4.2027 4.3922 4.3922 4.5438 4.5438 4.8107 4.8107 7.0490 7.0490 7.2955 7.2955 7.4818 7.4818 7.5621 7.5621 7.6465 7.6465 7.8672 7.8672 8.1403 8.1403 k = 0.1750-0.0000-0.0000 ( 12575 PWs) bands (ev): -9.6959 -9.6959 -9.2957 -9.2957 -9.2692 -9.2692 -9.1187 -9.1187 -8.6094 -8.6094 -8.2731 -8.2731 -7.0954 -7.0954 -7.0436 -7.0436 -4.1340 -4.1340 -4.0379 -4.0379 -2.5716 -2.5716 -1.9822 -1.9822 0.4351 0.4351 0.6287 0.6287 0.6817 0.6817 0.7726 0.7726 1.0754 1.0754 1.7534 1.7534 1.8469 1.8469 1.9613 1.9613 2.0867 2.0867 2.2227 2.2227 2.3649 2.3649 2.6073 2.6073 2.8548 2.8548 3.0838 3.0838 3.2729 3.2729 3.4041 3.4041 3.6756 3.6756 3.8331 3.8331 3.9477 3.9477 4.0213 4.0213 4.1589 4.1589 4.4273 4.4273 4.5415 4.5415 4.8251 4.8251 7.1113 7.1113 7.2977 7.2977 7.5173 7.5173 7.5886 7.5886 7.6508 7.6508 7.8861 7.8861 8.1902 8.1902 k = 0.1875-0.0000-0.0000 ( 12589 PWs) bands (ev): -9.6740 -9.6740 -9.2809 -9.2809 -9.2587 -9.2587 -9.1108 -9.1108 -8.5869 -8.5869 -8.2600 -8.2600 -7.0916 -7.0916 -7.0448 -7.0448 -4.1400 -4.1400 -4.0514 -4.0514 -2.5870 -2.5870 -2.0232 -2.0232 0.4083 0.4083 0.5904 0.5904 0.6099 0.6099 0.7719 0.7719 1.0208 1.0208 1.7060 1.7060 1.8652 1.8652 1.9335 1.9335 2.0832 2.0832 2.1941 2.1941 2.2977 2.2977 2.5757 2.5757 2.8250 2.8250 3.0629 3.0629 3.2816 3.2816 3.4090 3.4090 3.6716 3.6716 3.8178 3.8178 3.9348 3.9348 4.0305 4.0305 4.1165 4.1165 4.4531 4.4531 4.5388 4.5388 4.8372 4.8372 7.1698 7.1698 7.2979 7.2979 7.5271 7.5271 7.6282 7.6282 7.6842 7.6842 7.9109 7.9109 8.2369 8.2369 k = 0.2000-0.0000-0.0000 ( 12585 PWs) bands (ev): -9.6509 -9.6509 -9.2655 -9.2655 -9.2479 -9.2479 -9.1026 -9.1026 -8.5628 -8.5628 -8.2461 -8.2461 -7.0886 -7.0886 -7.0470 -7.0470 -4.1459 -4.1459 -4.0644 -4.0644 -2.6048 -2.6048 -2.0675 -2.0675 0.3804 0.3804 0.5391 0.5391 0.5487 0.5487 0.7738 0.7738 0.9712 0.9712 1.6422 1.6422 1.8816 1.8816 1.9131 1.9131 2.0831 2.0831 2.1726 2.1726 2.2368 2.2368 2.5487 2.5487 2.7994 2.7994 3.0449 3.0449 3.2907 3.2907 3.4128 3.4128 3.6561 3.6561 3.7987 3.7987 3.9158 3.9158 4.0310 4.0310 4.0830 4.0830 4.4684 4.4684 4.5369 4.5369 4.8461 4.8461 7.2156 7.2156 7.3079 7.3079 7.5183 7.5183 7.6821 7.6821 7.7352 7.7352 7.9412 7.9412 8.2788 8.2788 k = 0.2125-0.0000-0.0000 ( 12585 PWs) bands (ev): -9.6269 -9.6269 -9.2498 -9.2498 -9.2367 -9.2367 -9.0943 -9.0943 -8.5371 -8.5371 -8.2313 -8.2313 -7.0864 -7.0864 -7.0505 -7.0505 -4.1512 -4.1512 -4.0766 -4.0766 -2.6252 -2.6252 -2.1150 -2.1150 0.3515 0.3515 0.4742 0.4742 0.5035 0.5035 0.7672 0.7672 0.9343 0.9343 1.5706 1.5706 1.8834 1.8834 1.9023 1.9023 2.0828 2.0828 2.1596 2.1596 2.1870 2.1870 2.5264 2.5264 2.7777 2.7777 3.0298 3.0298 3.2997 3.2997 3.4145 3.4145 3.6304 3.6304 3.7757 3.7757 3.8918 3.8918 4.0067 4.0067 4.0747 4.0747 4.4726 4.4726 4.5361 4.5361 4.8513 4.8513 7.2361 7.2361 7.3403 7.3403 7.5088 7.5088 7.7396 7.7396 7.7956 7.7956 7.9765 7.9765 8.3150 8.3150 k = 0.2250-0.0000-0.0000 ( 12575 PWs) bands (ev): -9.6020 -9.6020 -9.2337 -9.2337 -9.2253 -9.2253 -9.0857 -9.0857 -8.5097 -8.5097 -8.2156 -8.2156 -7.0854 -7.0854 -7.0553 -7.0553 -4.1560 -4.1560 -4.0876 -4.0876 -2.6484 -2.6484 -2.1658 -2.1658 0.3215 0.3215 0.4129 0.4129 0.4593 0.4593 0.7422 0.7422 0.9192 0.9192 1.4960 1.4960 1.8654 1.8654 1.8958 1.8958 2.0828 2.0828 2.1421 2.1421 2.1671 2.1671 2.5086 2.5086 2.7598 2.7598 3.0181 3.0181 3.3081 3.3081 3.4133 3.4133 3.5969 3.5969 3.7484 3.7484 3.8643 3.8643 3.9692 3.9692 4.0798 4.0798 4.4678 4.4678 4.5347 4.5347 4.8525 4.8525 7.2394 7.2394 7.3838 7.3838 7.5079 7.5079 7.7976 7.7976 7.8608 7.8608 8.0160 8.0160 8.3448 8.3448 k = 0.2375-0.0000-0.0000 ( 12577 PWs) bands (ev): -9.5762 -9.5762 -9.2175 -9.2175 -9.2137 -9.2137 -9.0771 -9.0771 -8.4806 -8.4806 -8.1991 -8.1991 -7.0856 -7.0856 -7.0617 -7.0617 -4.1598 -4.1598 -4.0973 -4.0973 -2.6744 -2.6744 -2.2195 -2.2195 0.2896 0.2896 0.3571 0.3571 0.4166 0.4166 0.6998 0.6998 0.9247 0.9247 1.4213 1.4213 1.8398 1.8398 1.8752 1.8752 2.0855 2.0855 2.1228 2.1228 2.1765 2.1765 2.4951 2.4951 2.7450 2.7450 3.0096 3.0096 3.3147 3.3147 3.4079 3.4079 3.5589 3.5589 3.7167 3.7167 3.8350 3.8350 3.9305 3.9305 4.0859 4.0859 4.4566 4.4566 4.5303 4.5303 4.8493 4.8493 7.2376 7.2376 7.4183 7.4183 7.5255 7.5255 7.8557 7.8557 7.9274 7.9274 8.0590 8.0590 8.3681 8.3681 k = 0.2500-0.0000-0.0000 ( 12571 PWs) bands (ev): -9.5498 -9.5498 -9.2024 -9.2024 -9.2008 -9.2008 -9.0684 -9.0684 -8.4500 -8.4500 -8.1817 -8.1817 -7.0874 -7.0874 -7.0698 -7.0698 -4.1626 -4.1626 -4.1052 -4.1052 -2.7034 -2.7034 -2.2762 -2.2762 0.2543 0.2543 0.3085 0.3085 0.3757 0.3757 0.6483 0.6483 0.9424 0.9424 1.3482 1.3482 1.8050 1.8050 1.8464 1.8464 2.0791 2.0791 2.1291 2.1291 2.1944 2.1944 2.4855 2.4855 2.7329 2.7329 3.0043 3.0043 3.3167 3.3167 3.3976 3.3976 3.5211 3.5211 3.6808 3.6808 3.8055 3.8055 3.8928 3.8928 4.0902 4.0902 4.4408 4.4408 4.5216 4.5216 4.8416 4.8416 7.2346 7.2346 7.4373 7.4373 7.5648 7.5648 7.9134 7.9134 7.9929 7.9929 8.1045 8.1045 8.3854 8.3854 k = 0.2625-0.0000-0.0000 ( 12579 PWs) bands (ev): -9.5228 -9.5228 -9.1905 -9.1905 -9.1847 -9.1847 -9.0597 -9.0597 -8.4177 -8.4177 -8.1634 -8.1634 -7.0909 -7.0909 -7.0798 -7.0798 -4.1640 -4.1640 -4.1111 -4.1111 -2.7355 -2.7355 -2.3355 -2.3355 0.2146 0.2146 0.2683 0.2683 0.3371 0.3371 0.5935 0.5935 0.9668 0.9668 1.2778 1.2778 1.7596 1.7596 1.8193 1.8193 2.0655 2.0655 2.1547 2.1547 2.2169 2.2169 2.4792 2.4792 2.7225 2.7225 3.0022 3.0022 3.3065 3.3065 3.3856 3.3856 3.4887 3.4887 3.6416 3.6416 3.7772 3.7772 3.8564 3.8564 4.0919 4.0919 4.4214 4.4214 4.5083 4.5083 4.8293 4.8293 7.2317 7.2317 7.4499 7.4499 7.6157 7.6157 7.9703 7.9703 8.0557 8.0557 8.1511 8.1511 8.3980 8.3980 k = 0.2750-0.0000-0.0000 ( 12573 PWs) bands (ev): -9.4954 -9.4954 -9.1790 -9.1790 -9.1685 -9.1685 -9.0511 -9.0511 -8.3838 -8.3838 -8.1442 -8.1442 -7.0965 -7.0965 -7.0915 -7.0915 -4.1639 -4.1639 -4.1147 -4.1147 -2.7706 -2.7706 -2.3973 -2.3973 0.1726 0.1726 0.2343 0.2343 0.3010 0.3010 0.5380 0.5380 0.9950 0.9950 1.2112 1.2112 1.7083 1.7083 1.7951 1.7951 2.0520 2.0520 2.1876 2.1876 2.2423 2.2423 2.4761 2.4761 2.7131 2.7131 3.0031 3.0031 3.2756 3.2756 3.3792 3.3792 3.4642 3.4642 3.6001 3.6001 3.7508 3.7508 3.8211 3.8211 4.0907 4.0907 4.3988 4.3988 4.4908 4.4908 4.8127 4.8127 7.2293 7.2293 7.4629 7.4629 7.6702 7.6702 8.0255 8.0255 8.1148 8.1148 8.1963 8.1963 8.4085 8.4085 k = 0.2875-0.0000-0.0000 ( 12567 PWs) bands (ev): -9.4677 -9.4677 -9.1677 -9.1677 -9.1525 -9.1525 -9.0426 -9.0426 -8.3484 -8.3484 -8.1240 -8.1240 -7.1067 -7.1067 -7.1027 -7.1027 -4.1619 -4.1619 -4.1157 -4.1157 -2.8087 -2.8087 -2.4612 -2.4612 0.1312 0.1312 0.2034 0.2034 0.2678 0.2678 0.4832 0.4832 1.0251 1.0251 1.1501 1.1501 1.6552 1.6552 1.7732 1.7732 2.0398 2.0398 2.2240 2.2240 2.2698 2.2698 2.4755 2.4755 2.7039 2.7039 3.0067 3.0067 3.2271 3.2271 3.3774 3.3774 3.4463 3.4463 3.5577 3.5577 3.7270 3.7270 3.7867 3.7867 4.0864 4.0864 4.3731 4.3731 4.4699 4.4699 4.7918 4.7918 7.2281 7.2281 7.4784 7.4784 7.7253 7.7253 8.0776 8.0776 8.1695 8.1695 8.2367 8.2367 8.4206 8.4206 k = 0.3000-0.0000-0.0000 ( 12579 PWs) bands (ev): -9.4399 -9.4399 -9.1566 -9.1566 -9.1368 -9.1368 -9.0343 -9.0343 -8.3115 -8.3115 -8.1029 -8.1029 -7.1225 -7.1225 -7.1127 -7.1127 -4.1578 -4.1578 -4.1137 -4.1137 -2.8498 -2.8498 -2.5271 -2.5271 0.0921 0.0921 0.1738 0.1738 0.2374 0.2374 0.4299 0.4299 1.0488 1.0488 1.1027 1.1027 1.6026 1.6026 1.7535 1.7535 2.0287 2.0287 2.2620 2.2620 2.2984 2.2984 2.4773 2.4773 2.6942 2.6942 3.0128 3.0128 3.1695 3.1695 3.3734 3.3734 3.4350 3.4350 3.5156 3.5156 3.7053 3.7053 3.7535 3.7535 4.0793 4.0793 4.3446 4.3446 4.4461 4.4461 4.7670 4.7670 7.2281 7.2281 7.4965 7.4965 7.7797 7.7797 8.1246 8.1246 8.2187 8.2187 8.2697 8.2697 8.4388 8.4388 k = 0.3125-0.0000-0.0000 ( 12583 PWs) bands (ev): -9.4121 -9.4121 -9.1460 -9.1460 -9.1214 -9.1214 -9.0263 -9.0263 -8.2732 -8.2732 -8.0808 -8.0808 -7.1409 -7.1409 -7.1248 -7.1248 -4.1513 -4.1513 -4.1087 -4.1087 -2.8937 -2.8937 -2.5946 -2.5946 0.0561 0.0561 0.1447 0.1447 0.2095 0.2095 0.3787 0.3787 1.0250 1.0250 1.1103 1.1103 1.5515 1.5515 1.7361 1.7361 2.0187 2.0187 2.3000 2.3000 2.3277 2.3277 2.4815 2.4815 2.6831 2.6831 3.0209 3.0209 3.1084 3.1084 3.3623 3.3623 3.4306 3.4306 3.4759 3.4759 3.6839 3.6839 3.7231 3.7231 4.0696 4.0696 4.3134 4.3134 4.4205 4.4205 4.7388 4.7388 7.2298 7.2298 7.5164 7.5164 7.8330 7.8330 8.1621 8.1621 8.2598 8.2598 8.2994 8.2994 8.4650 8.4650 k = 0.3250-0.0000-0.0000 ( 12563 PWs) bands (ev): -9.3845 -9.3845 -9.1358 -9.1358 -9.1065 -9.1065 -9.0186 -9.0186 -8.2335 -8.2335 -8.0577 -8.0577 -7.1616 -7.1616 -7.1393 -7.1393 -4.1424 -4.1424 -4.1004 -4.1004 -2.9401 -2.9401 -2.6635 -2.6635 0.0234 0.0234 0.1162 0.1162 0.1835 0.1835 0.3299 0.3299 0.9818 0.9818 1.1451 1.1451 1.5027 1.5027 1.7213 1.7213 2.0095 2.0095 2.3354 2.3354 2.3572 2.3572 2.4885 2.4885 2.6704 2.6704 3.0275 3.0275 3.0503 3.0503 3.3453 3.3453 3.4230 3.4230 3.4478 3.4478 3.6589 3.6589 3.6988 3.6988 4.0574 4.0574 4.2798 4.2798 4.3939 4.3939 4.7076 4.7076 7.2332 7.2332 7.5372 7.5372 7.8848 7.8848 8.1837 8.1837 8.2927 8.2927 8.3344 8.3344 8.4952 8.4952 k = 0.3375-0.0000-0.0000 ( 12581 PWs) bands (ev): -9.3573 -9.3573 -9.1263 -9.1263 -9.0921 -9.0921 -9.0113 -9.0113 -8.1924 -8.1924 -8.0335 -8.0335 -7.1845 -7.1845 -7.1564 -7.1564 -4.1307 -4.1307 -4.0886 -4.0886 -2.9890 -2.9890 -2.7335 -2.7335 -0.0059 -0.0059 0.0886 0.0886 0.1586 0.1586 0.2840 0.2840 0.9424 0.9424 1.1841 1.1841 1.4567 1.4567 1.7093 1.7093 2.0010 2.0010 2.3639 2.3639 2.3878 2.3878 2.4992 2.4992 2.6562 2.6562 2.9835 2.9835 3.0465 3.0465 3.3257 3.3257 3.3937 3.3937 3.4475 3.4475 3.6281 3.6281 3.6822 3.6822 4.0431 4.0431 4.2439 4.2439 4.3669 4.3669 4.6738 4.6738 7.2385 7.2385 7.5577 7.5577 7.9351 7.9351 8.1879 8.1879 8.3249 8.3249 8.3731 8.3731 8.5224 8.5224 k = 0.3500-0.0000-0.0000 ( 12571 PWs) bands (ev): -9.3305 -9.3305 -9.1175 -9.1175 -9.0783 -9.0783 -9.0045 -9.0045 -8.1502 -8.1502 -8.0083 -8.0083 -7.2095 -7.2095 -7.1762 -7.1762 -4.1160 -4.1160 -4.0733 -4.0733 -3.0400 -3.0400 -2.8042 -2.8042 -0.0318 -0.0318 0.0621 0.0621 0.1339 0.1339 0.2413 0.2413 0.9092 0.9092 1.2241 1.2241 1.4143 1.4143 1.7003 1.7003 1.9929 1.9929 2.3828 2.3828 2.4172 2.4172 2.5144 2.5144 2.6414 2.6414 2.9286 2.9286 3.0597 3.0597 3.3060 3.3060 3.3620 3.3620 3.4544 3.4544 3.5941 3.5941 3.6702 3.6702 4.0271 4.0271 4.2061 4.2061 4.3403 4.3403 4.6381 4.6381 7.2456 7.2456 7.5767 7.5767 7.9835 7.9835 8.1812 8.1812 8.3573 8.3573 8.4117 8.4117 8.5400 8.5400 k = 0.3625-0.0000-0.0000 ( 12567 PWs) bands (ev): -9.3045 -9.3045 -9.1095 -9.1095 -9.0652 -9.0652 -8.9981 -8.9981 -8.1069 -8.1069 -7.9819 -7.9819 -7.2366 -7.2366 -7.1986 -7.1986 -4.0984 -4.0984 -4.0543 -4.0543 -3.0928 -3.0928 -2.8753 -2.8753 -0.0544 -0.0544 0.0372 0.0372 0.1089 0.1089 0.2019 0.2019 0.8830 0.8830 1.2615 1.2615 1.3785 1.3785 1.6941 1.6941 1.9851 1.9851 2.3927 2.3927 2.4394 2.4394 2.5332 2.5332 2.6285 2.6285 2.8812 2.8812 3.0746 3.0746 3.2875 3.2875 3.3332 3.3332 3.4621 3.4621 3.5591 3.5591 3.6605 3.6605 4.0096 4.0096 4.1668 4.1668 4.3147 4.3147 4.6009 4.6009 7.2546 7.2546 7.5930 7.5930 8.0297 8.0297 8.1706 8.1706 8.3863 8.3863 8.4486 8.4486 8.5481 8.5481 k = 0.3750-0.0000-0.0000 ( 12555 PWs) bands (ev): -9.2794 -9.2794 -9.1024 -9.1024 -9.0527 -9.0527 -8.9923 -8.9923 -8.0625 -8.0625 -7.9544 -7.9544 -7.2657 -7.2657 -7.2236 -7.2236 -4.0776 -4.0776 -4.0315 -4.0315 -3.1472 -3.1472 -2.9467 -2.9467 -0.0737 -0.0737 0.0141 0.0141 0.0833 0.0833 0.1660 0.1660 0.8640 0.8640 1.2820 1.2820 1.3630 1.3630 1.6909 1.6909 1.9775 1.9775 2.3950 2.3950 2.4481 2.4481 2.5506 2.5506 2.6229 2.6229 2.8468 2.8468 3.0904 3.0904 3.2708 3.2708 3.3083 3.3083 3.4685 3.4685 3.5255 3.5255 3.6520 3.6520 3.9910 3.9910 4.1266 4.1266 4.2909 4.2909 4.5629 4.5629 7.2655 7.2655 7.6050 7.6050 8.0728 8.0728 8.1615 8.1615 8.4097 8.4097 8.4815 8.4815 8.5538 8.5538 k = 0.3875-0.0000-0.0000 ( 12562 PWs) bands (ev): -9.2553 -9.2553 -9.0964 -9.0964 -9.0411 -9.0411 -8.9872 -8.9872 -8.0173 -8.0173 -7.9257 -7.9257 -7.2965 -7.2965 -7.2513 -7.2513 -4.0536 -4.0536 -4.0050 -4.0050 -3.2027 -3.2027 -3.0179 -3.0179 -0.0898 -0.0898 -0.0070 -0.0070 0.0573 0.0573 0.1332 0.1332 0.8523 0.8523 1.2667 1.2667 1.3862 1.3862 1.6905 1.6905 1.9702 1.9702 2.3909 2.3909 2.4404 2.4404 2.5541 2.5541 2.6333 2.6333 2.8311 2.8311 3.1068 3.1068 3.2559 3.2559 3.2873 3.2873 3.4648 3.4648 3.5023 3.5023 3.6439 3.6439 3.9716 3.9716 4.0861 4.0861 4.2693 4.2693 4.5244 4.5244 7.2781 7.2781 7.6118 7.6118 8.1092 8.1092 8.1601 8.1601 8.4264 8.4264 8.5052 8.5052 8.5658 8.5658 k = 0.4000-0.0000-0.0000 ( 12566 PWs) bands (ev): -9.2324 -9.2324 -9.0916 -9.0916 -9.0302 -9.0302 -8.9827 -8.9827 -7.9714 -7.9714 -7.8959 -7.8959 -7.3290 -7.3290 -7.2815 -7.2815 -4.0264 -4.0264 -3.9748 -3.9748 -3.2591 -3.2591 -3.0887 -3.0887 -0.1028 -0.1028 -0.0258 -0.0258 0.0315 0.0315 0.1033 0.1033 0.8475 0.8475 1.2362 1.2362 1.4267 1.4267 1.6926 1.6926 1.9633 1.9633 2.3801 2.3801 2.4207 2.4207 2.5383 2.5383 2.6604 2.6604 2.8355 2.8355 3.1230 3.1230 3.2425 3.2425 3.2700 3.2700 3.4396 3.4396 3.5015 3.5015 3.6360 3.6360 3.9517 3.9517 4.0460 4.0460 4.2506 4.2506 4.4862 4.4862 7.2924 7.2924 7.6126 7.6126 8.1294 8.1294 8.1771 8.1771 8.4364 8.4364 8.5155 8.5155 8.5888 8.5888 k = 0.4125-0.0000-0.0000 ( 12566 PWs) bands (ev): -9.2109 -9.2109 -9.0880 -9.0880 -9.0202 -9.0202 -8.9790 -8.9790 -7.9248 -7.9248 -7.8649 -7.8649 -7.3629 -7.3629 -7.3142 -7.3142 -3.9959 -3.9959 -3.9409 -3.9409 -3.3161 -3.3161 -3.1589 -3.1589 -0.1129 -0.1129 -0.0422 -0.0422 0.0068 0.0068 0.0757 0.0757 0.8491 0.8491 1.2033 1.2033 1.4710 1.4710 1.6969 1.6969 1.9573 1.9573 2.3588 2.3588 2.3991 2.3991 2.5110 2.5110 2.6955 2.6955 2.8555 2.8555 3.1385 3.1385 3.2297 3.2297 3.2560 3.2560 3.4080 3.4080 3.5088 3.5088 3.6280 3.6280 3.9315 3.9315 4.0071 4.0071 4.2353 4.2353 4.4487 4.4487 7.3084 7.3084 7.6070 7.6070 8.1385 8.1385 8.2079 8.2079 8.4403 8.4403 8.5175 8.5175 8.6177 8.6177 k = 0.4250-0.0000-0.0000 ( 12570 PWs) bands (ev): -9.1908 -9.1908 -9.0858 -9.0858 -9.0111 -9.0111 -8.9760 -8.9760 -7.8779 -7.8779 -7.8328 -7.8328 -7.3979 -7.3979 -7.3491 -7.3491 -3.9624 -3.9624 -3.9035 -3.9035 -3.3732 -3.3732 -3.2281 -3.2281 -0.1202 -0.1202 -0.0561 -0.0561 -0.0160 -0.0160 0.0501 0.0501 0.8566 0.8566 1.1703 1.1703 1.5155 1.5155 1.7028 1.7028 1.9529 1.9529 2.3243 2.3243 2.3829 2.3829 2.4797 2.4797 2.7342 2.7342 2.8846 2.8846 3.1521 3.1521 3.2160 3.2160 3.2455 3.2455 3.3778 3.3778 3.5177 3.5177 3.6197 3.6197 3.9116 3.9116 3.9704 3.9704 4.2237 4.2237 4.4124 4.4124 7.3260 7.3260 7.5955 7.5955 8.1489 8.1489 8.2393 8.2393 8.4395 8.4395 8.5161 8.5161 8.6468 8.6468 k = 0.4375-0.0000-0.0000 ( 12558 PWs) bands (ev): -9.1723 -9.1723 -9.0850 -9.0850 -9.0029 -9.0029 -8.9738 -8.9738 -7.8306 -7.8306 -7.7996 -7.7996 -7.4340 -7.4340 -7.3862 -7.3862 -3.9257 -3.9257 -3.8626 -3.8626 -3.4302 -3.4302 -3.2962 -3.2962 -0.1249 -0.1249 -0.0677 -0.0677 -0.0362 -0.0362 0.0264 0.0264 0.8692 0.8692 1.1377 1.1377 1.5585 1.5585 1.7096 1.7096 1.9515 1.9515 2.2816 2.2816 2.3706 2.3706 2.4487 2.4487 2.7745 2.7745 2.9175 2.9175 3.1621 3.1621 3.2003 3.2003 3.2392 3.2392 3.3511 3.3511 3.5269 3.5269 3.6113 3.6113 3.8923 3.8923 3.9370 3.9370 4.2164 4.2164 4.3779 4.3779 7.3452 7.3452 7.5791 7.5791 8.1630 8.1630 8.2664 8.2664 8.4362 8.4362 8.5126 8.5126 8.6740 8.6740 k = 0.4500-0.0000-0.0000 ( 12562 PWs) bands (ev): -9.1554 -9.1554 -9.0858 -9.0858 -8.9957 -8.9957 -8.9725 -8.9725 -7.7833 -7.7833 -7.7654 -7.7654 -7.4708 -7.4708 -7.4252 -7.4252 -3.8861 -3.8861 -3.8183 -3.8183 -3.4867 -3.4867 -3.3628 -3.3628 -0.1272 -0.1272 -0.0775 -0.0775 -0.0522 -0.0522 0.0048 0.0048 0.8862 0.8862 1.1057 1.1057 1.5983 1.5983 1.7159 1.7159 1.9550 1.9550 2.2350 2.2350 2.3609 2.3609 2.4205 2.4205 2.8154 2.8154 2.9496 2.9496 3.1639 3.1639 3.1849 3.1849 3.2380 3.2380 3.3287 3.3287 3.5361 3.5361 3.6028 3.6028 3.8746 3.8746 3.9078 3.9078 4.2134 4.2134 4.3456 4.3456 7.3659 7.3659 7.5588 7.5588 8.1806 8.1806 8.2862 8.2862 8.4335 8.4335 8.5072 8.5072 8.6981 8.6981 k = 0.4625-0.0000-0.0000 ( 12572 PWs) bands (ev): -9.1404 -9.1404 -9.0883 -9.0883 -8.9894 -8.9894 -8.9721 -8.9721 -7.7363 -7.7363 -7.7301 -7.7301 -7.5081 -7.5081 -7.4660 -7.4660 -3.8437 -3.8437 -3.7708 -3.7708 -3.5424 -3.5424 -3.4278 -3.4278 -0.1273 -0.1273 -0.0873 -0.0873 -0.0623 -0.0623 -0.0145 -0.0145 0.9068 0.9068 1.0742 1.0742 1.6334 1.6334 1.7200 1.7200 1.9654 1.9654 2.1867 2.1867 2.3537 2.3537 2.3964 2.3964 2.8561 2.8561 2.9764 2.9764 3.1521 3.1521 3.1763 3.1763 3.2418 3.2418 3.3105 3.3105 3.5451 3.5451 3.5943 3.5943 3.8597 3.8597 3.8835 3.8835 4.2151 4.2151 4.3160 4.3160 7.3879 7.3879 7.5359 7.5359 8.2007 8.2007 8.2956 8.2956 8.4349 8.4349 8.5000 8.5000 8.7184 8.7184 k = 0.4750-0.0000-0.0000 ( 12576 PWs) bands (ev): -9.1271 -9.1271 -9.0924 -9.0924 -8.9841 -8.9841 -8.9726 -8.9726 -7.6948 -7.6948 -7.6888 -7.6888 -7.5456 -7.5456 -7.5083 -7.5083 -3.7987 -3.7987 -3.7202 -3.7202 -3.5970 -3.5970 -3.4909 -3.4909 -0.1252 -0.1252 -0.0975 -0.0975 -0.0655 -0.0655 -0.0314 -0.0314 0.9305 0.9305 1.0434 1.0434 1.6630 1.6630 1.7201 1.7201 1.9847 1.9847 2.1385 2.1385 2.3497 2.3497 2.3772 2.3772 2.8959 2.8959 2.9911 2.9911 3.1392 3.1392 3.1685 3.1685 3.2494 3.2494 3.2953 3.2953 3.5536 3.5536 3.5860 3.5860 3.8489 3.8489 3.8646 3.8646 4.2213 4.2213 4.2895 4.2895 7.4112 7.4112 7.5114 7.5114 8.2223 8.2223 8.2935 8.2935 8.4421 8.4421 8.4908 8.4908 8.7348 8.7348 k = 0.4875-0.0000-0.0000 ( 12568 PWs) bands (ev): -9.1157 -9.1157 -9.0984 -9.0984 -8.9798 -8.9798 -8.9740 -8.9740 -7.6579 -7.6579 -7.6425 -7.6425 -7.5833 -7.5833 -7.5520 -7.5520 -3.7513 -3.7513 -3.6667 -3.6667 -3.6502 -3.6502 -3.5519 -3.5519 -0.1212 -0.1212 -0.1071 -0.1071 -0.0630 -0.0630 -0.0454 -0.0454 0.9564 0.9564 1.0133 1.0133 1.6863 1.6863 1.7148 1.7148 2.0132 2.0132 2.0922 2.0922 2.3496 2.3496 2.3630 2.3630 2.9331 2.9331 2.9870 2.9870 3.1372 3.1372 3.1577 3.1577 3.2592 3.2592 3.2821 3.2821 3.5619 3.5619 3.5778 3.5778 3.8435 3.8435 3.8515 3.8515 4.2321 4.2321 4.2664 4.2664 7.4355 7.4355 7.4861 7.4861 8.2441 8.2441 8.2821 8.2821 8.4537 8.4537 8.4796 8.4796 8.7471 8.7471 k = 0.5000-0.0000-0.0000 ( 12576 PWs) bands (ev): -9.1061 -9.1061 -9.1061 -9.1061 -8.9764 -8.9764 -8.9764 -8.9764 -7.6208 -7.6208 -7.6208 -7.6208 -7.5968 -7.5968 -7.5968 -7.5968 -3.7017 -3.7017 -3.7017 -3.7017 -3.6106 -3.6106 -3.6106 -3.6106 -0.1151 -0.1151 -0.1151 -0.1151 -0.0561 -0.0561 -0.0561 -0.0561 0.9842 0.9842 0.9842 0.9842 1.7036 1.7036 1.7036 1.7036 2.0497 2.0497 2.0497 2.0497 2.3539 2.3539 2.3539 2.3539 2.9653 2.9653 2.9653 2.9653 3.1456 3.1456 3.1456 3.1456 3.2702 3.2702 3.2702 3.2702 3.5699 3.5699 3.5699 3.5699 3.8444 3.8444 3.8444 3.8444 4.2472 4.2472 4.2472 4.2472 7.4606 7.4606 7.4606 7.4606 8.2647 8.2647 8.2647 8.2647 8.4669 8.4669 8.4669 8.4669 8.7553 8.7553 k = 0.5000-0.0000-0.0000 ( 12576 PWs) bands (ev): -9.1061 -9.1061 -9.1061 -9.1061 -8.9764 -8.9764 -8.9764 -8.9764 -7.6208 -7.6208 -7.6208 -7.6208 -7.5968 -7.5968 -7.5968 -7.5968 -3.7017 -3.7017 -3.7017 -3.7017 -3.6106 -3.6106 -3.6106 -3.6106 -0.1151 -0.1151 -0.1151 -0.1151 -0.0561 -0.0561 -0.0561 -0.0561 0.9842 0.9842 0.9842 0.9842 1.7036 1.7036 1.7036 1.7036 2.0497 2.0497 2.0497 2.0497 2.3539 2.3539 2.3539 2.3539 2.9653 2.9653 2.9653 2.9653 3.1456 3.1456 3.1456 3.1456 3.2702 3.2702 3.2702 3.2702 3.5699 3.5699 3.5699 3.5699 3.8444 3.8444 3.8444 3.8444 4.2472 4.2472 4.2472 4.2472 7.4606 7.4606 7.4606 7.4606 8.2647 8.2647 8.2647 8.2647 8.4669 8.4669 8.4669 8.4669 8.7553 8.7553 k = 0.5000 0.0121-0.0000 ( 12568 PWs) bands (ev): -9.1059 -9.1059 -9.1059 -9.1059 -8.9766 -8.9766 -8.9766 -8.9766 -7.6208 -7.6208 -7.6207 -7.6207 -7.5968 -7.5968 -7.5968 -7.5968 -3.7017 -3.7017 -3.7016 -3.7016 -3.6108 -3.6108 -3.6107 -3.6107 -0.1150 -0.1150 -0.1147 -0.1147 -0.0560 -0.0560 -0.0556 -0.0556 0.9859 0.9859 0.9866 0.9866 1.6986 1.6986 1.7037 1.7037 2.0482 2.0482 2.0537 2.0537 2.3536 2.3536 2.3542 2.3542 2.9549 2.9549 2.9598 2.9598 3.1491 3.1491 3.1507 3.1507 3.2740 3.2740 3.2746 3.2746 3.5689 3.5689 3.5691 3.5691 3.8443 3.8443 3.8446 3.8446 4.2432 4.2432 4.2455 4.2455 7.4633 7.4633 7.4638 7.4638 8.2611 8.2611 8.2649 8.2649 8.4622 8.4622 8.4663 8.4663 8.7532 8.7532 k = 0.5000 0.0241-0.0000 ( 12550 PWs) bands (ev): -9.1053 -9.1053 -9.1053 -9.1053 -8.9772 -8.9772 -8.9772 -8.9772 -7.6207 -7.6207 -7.6206 -7.6206 -7.5970 -7.5970 -7.5969 -7.5969 -3.7015 -3.7015 -3.7013 -3.7013 -3.6115 -3.6115 -3.6113 -3.6113 -0.1143 -0.1143 -0.1137 -0.1137 -0.0554 -0.0554 -0.0547 -0.0547 0.9916 0.9916 0.9930 0.9930 1.6890 1.6890 1.6989 1.6989 2.0494 2.0494 2.0600 2.0600 2.3534 2.3534 2.3545 2.3545 2.9321 2.9321 2.9407 2.9407 3.1593 3.1593 3.1612 3.1612 3.2856 3.2856 3.2866 3.2866 3.5665 3.5665 3.5667 3.5667 3.8444 3.8444 3.8450 3.8450 4.2336 4.2336 4.2382 4.2382 7.4717 7.4717 7.4727 7.4727 8.2542 8.2542 8.2617 8.2617 8.4524 8.4524 8.4605 8.4605 8.7493 8.7493 k = 0.5000 0.0362-0.0000 ( 12554 PWs) bands (ev): -9.1044 -9.1044 -9.1043 -9.1043 -8.9783 -8.9783 -8.9782 -8.9782 -7.6205 -7.6205 -7.6205 -7.6205 -7.5972 -7.5972 -7.5971 -7.5971 -3.7012 -3.7012 -3.7008 -3.7008 -3.6126 -3.6126 -3.6123 -3.6123 -0.1131 -0.1131 -0.1122 -0.1122 -0.0543 -0.0543 -0.0532 -0.0532 1.0013 1.0013 1.0034 1.0034 1.6756 1.6756 1.6896 1.6896 2.0528 2.0528 2.0678 2.0678 2.3530 2.3530 2.3546 2.3546 2.9026 2.9026 2.9135 2.9135 3.1723 3.1723 3.1733 3.1733 3.3030 3.3030 3.3040 3.3040 3.5627 3.5627 3.5629 3.5629 3.8449 3.8449 3.8460 3.8460 4.2188 4.2188 4.2257 4.2257 7.4855 7.4855 7.4871 7.4871 8.2441 8.2441 8.2550 8.2550 8.4383 8.4383 8.4501 8.4501 8.7440 8.7440 k = 0.5000 0.0483-0.0000 ( 12552 PWs) bands (ev): -9.1030 -9.1030 -9.1029 -9.1029 -8.9797 -8.9797 -8.9796 -8.9796 -7.6203 -7.6203 -7.6202 -7.6202 -7.5975 -7.5975 -7.5974 -7.5974 -3.7007 -3.7007 -3.7002 -3.7002 -3.6141 -3.6141 -3.6137 -3.6137 -0.1115 -0.1115 -0.1103 -0.1103 -0.0526 -0.0526 -0.0512 -0.0512 1.0147 1.0147 1.0175 1.0175 1.6591 1.6591 1.6765 1.6765 2.0581 2.0581 2.0767 2.0767 2.3520 2.3520 2.3540 2.3540 2.8706 2.8706 2.8830 2.8830 3.1854 3.1854 3.1856 3.1856 3.3234 3.3234 3.3236 3.3236 3.5579 3.5579 3.5581 3.5581 3.8462 3.8462 3.8478 3.8478 4.1994 4.1994 4.2086 4.2086 7.5042 7.5042 7.5064 7.5064 8.2309 8.2309 8.2449 8.2449 8.4207 8.4207 8.4357 8.4357 8.7373 8.7373 k = 0.5000 0.0603-0.0000 ( 12562 PWs) bands (ev): -9.1013 -9.1013 -9.1012 -9.1012 -8.9815 -8.9815 -8.9813 -8.9813 -7.6200 -7.6200 -7.6199 -7.6199 -7.5979 -7.5979 -7.5977 -7.5977 -3.7000 -3.7000 -3.6993 -3.6993 -3.6160 -3.6160 -3.6155 -3.6155 -0.1094 -0.1094 -0.1079 -0.1079 -0.0503 -0.0503 -0.0487 -0.0487 1.0315 1.0315 1.0351 1.0351 1.6404 1.6404 1.6604 1.6604 2.0645 2.0645 2.0861 2.0861 2.3499 2.3499 2.3523 2.3523 2.8390 2.8390 2.8526 2.8526 3.1969 3.1969 3.1983 3.1983 3.3421 3.3421 3.3438 3.3438 3.5523 3.5523 3.5533 3.5533 3.8486 3.8486 3.8510 3.8510 4.1762 4.1762 4.1877 4.1877 7.5273 7.5273 7.5301 7.5301 8.2150 8.2150 8.2315 8.2315 8.4009 8.4009 8.4186 8.4186 8.7291 8.7291 k = 0.5000 0.0724-0.0000 ( 12554 PWs) bands (ev): -9.0992 -9.0992 -9.0991 -9.0991 -8.9837 -8.9837 -8.9835 -8.9835 -7.6196 -7.6196 -7.6195 -7.6195 -7.5983 -7.5983 -7.5982 -7.5982 -3.6991 -3.6991 -3.6984 -3.6984 -3.6182 -3.6182 -3.6177 -3.6177 -0.1070 -0.1070 -0.1051 -0.1051 -0.0475 -0.0475 -0.0456 -0.0456 1.0514 1.0514 1.0557 1.0557 1.6202 1.6202 1.6423 1.6423 2.0715 2.0715 2.0953 2.0953 2.3463 2.3463 2.3487 2.3487 2.8102 2.8102 2.8244 2.8244 3.2075 3.2075 3.2099 3.2099 3.3568 3.3568 3.3615 3.3615 3.5467 3.5467 3.5487 3.5487 3.8525 3.8525 3.8560 3.8560 4.1505 4.1505 4.1643 4.1643 7.5538 7.5538 7.5574 7.5574 8.1965 8.1965 8.2148 8.2148 8.3800 8.3800 8.3998 8.3998 8.7195 8.7195 k = 0.5000 0.0845-0.0000 ( 12550 PWs) bands (ev): -9.0968 -9.0968 -9.0966 -9.0966 -8.9862 -8.9862 -8.9860 -8.9860 -7.6192 -7.6192 -7.6191 -7.6191 -7.5988 -7.5988 -7.5987 -7.5987 -3.6980 -3.6980 -3.6972 -3.6972 -3.6208 -3.6208 -3.6201 -3.6201 -0.1042 -0.1042 -0.1020 -0.1020 -0.0443 -0.0443 -0.0421 -0.0421 1.0740 1.0740 1.0792 1.0792 1.5993 1.5993 1.6229 1.6229 2.0786 2.0786 2.1040 2.1040 2.3404 2.3404 2.3426 2.3426 2.7858 2.7858 2.8003 2.8003 3.2169 3.2169 3.2199 3.2199 3.3658 3.3658 3.3744 3.3744 3.5415 3.5415 3.5446 3.5446 3.8583 3.8583 3.8632 3.8632 4.1234 4.1234 4.1393 4.1393 7.5829 7.5829 7.5875 7.5875 8.1758 8.1758 8.1951 8.1951 8.3595 8.3595 8.3806 8.3806 8.7083 8.7083 k = 0.5000 0.0965-0.0000 ( 12554 PWs) bands (ev): -9.0940 -9.0940 -9.0938 -9.0938 -8.9891 -8.9891 -8.9888 -8.9888 -7.6188 -7.6188 -7.6186 -7.6186 -7.5994 -7.5994 -7.5992 -7.5992 -3.6968 -3.6968 -3.6959 -3.6959 -3.6236 -3.6236 -3.6229 -3.6229 -0.1010 -0.1010 -0.0985 -0.0985 -0.0406 -0.0406 -0.0383 -0.0383 1.0989 1.0989 1.1049 1.1049 1.5781 1.5781 1.6029 1.6029 2.0853 2.0853 2.1118 2.1118 2.3318 2.3318 2.3333 2.3333 2.7672 2.7672 2.7816 2.7816 3.2243 3.2243 3.2276 3.2276 3.3687 3.3687 3.3817 3.3817 3.5368 3.5368 3.5408 3.5408 3.8662 3.8662 3.8731 3.8731 4.0964 4.0964 4.1143 4.1143 7.6136 7.6136 7.6193 7.6193 8.1533 8.1533 8.1726 8.1726 8.3403 8.3403 8.3620 8.3620 8.6956 8.6956 k = 0.5000 0.1086-0.0000 ( 12560 PWs) bands (ev): -9.0909 -9.0909 -9.0907 -9.0907 -8.9923 -8.9923 -8.9920 -8.9920 -7.6182 -7.6182 -7.6181 -7.6181 -7.6000 -7.6000 -7.5998 -7.5998 -3.6954 -3.6954 -3.6943 -3.6943 -3.6267 -3.6267 -3.6259 -3.6259 -0.0975 -0.0975 -0.0947 -0.0947 -0.0368 -0.0368 -0.0342 -0.0342 1.1255 1.1255 1.1324 1.1324 1.5573 1.5573 1.5830 1.5830 2.0912 2.0912 2.1186 2.1186 2.3202 2.3202 2.3205 2.3205 2.7555 2.7555 2.7693 2.7693 3.2291 3.2291 3.2323 3.2323 3.3662 3.3662 3.3834 3.3834 3.5319 3.5319 3.5362 3.5362 3.8760 3.8760 3.8854 3.8854 4.0712 4.0712 4.0906 4.0906 7.6447 7.6447 7.6518 7.6518 8.1296 8.1296 8.1479 8.1479 8.3237 8.3237 8.3453 8.3453 8.6811 8.6811 k = 0.5000 0.1207-0.0000 ( 12574 PWs) bands (ev): -9.0875 -9.0875 -9.0872 -9.0872 -8.9958 -8.9958 -8.9955 -8.9955 -7.6177 -7.6177 -7.6175 -7.6175 -7.6007 -7.6007 -7.6005 -7.6005 -3.6938 -3.6938 -3.6927 -3.6927 -3.6301 -3.6301 -3.6292 -3.6292 -0.0936 -0.0936 -0.0905 -0.0905 -0.0329 -0.0329 -0.0303 -0.0303 1.1534 1.1534 1.1611 1.1611 1.5373 1.5373 1.5636 1.5636 2.0963 2.0963 2.1240 2.1240 2.3045 2.3045 2.3059 2.3059 2.7509 2.7509 2.7638 2.7638 3.2301 3.2301 3.2333 3.2333 3.3599 3.3599 3.3808 3.3808 3.5258 3.5258 3.5295 3.5295 3.8873 3.8873 3.8998 3.8998 4.0491 4.0491 4.0694 4.0694 7.6752 7.6752 7.6841 7.6841 8.1053 8.1053 8.1217 8.1217 8.3103 8.3103 8.3313 8.3313 8.6649 8.6649 k = 0.5000 0.1327-0.0000 ( 12574 PWs) bands (ev): -9.0838 -9.0838 -9.0835 -9.0835 -8.9996 -8.9996 -8.9993 -8.9993 -7.6170 -7.6170 -7.6169 -7.6169 -7.6015 -7.6015 -7.6012 -7.6012 -3.6920 -3.6920 -3.6908 -3.6908 -3.6336 -3.6336 -3.6326 -3.6326 -0.0894 -0.0894 -0.0860 -0.0860 -0.0293 -0.0293 -0.0265 -0.0265 1.1819 1.1819 1.1906 1.1906 1.5183 1.5183 1.5451 1.5451 2.1002 2.1002 2.1280 2.1280 2.2859 2.2859 2.2895 2.2895 2.7532 2.7532 2.7649 2.7649 3.2263 3.2263 3.2297 3.2297 3.3519 3.3519 3.3754 3.3754 3.5174 3.5174 3.5201 3.5201 3.8993 3.8993 3.9157 3.9157 4.0318 4.0318 4.0518 4.0518 7.7038 7.7038 7.7149 7.7149 8.0811 8.0811 8.0949 8.0949 8.3008 8.3008 8.3209 8.3209 8.6470 8.6470 k = 0.5000 0.1448-0.0000 ( 12594 PWs) bands (ev): -9.0799 -9.0799 -9.0796 -9.0796 -9.0036 -9.0036 -9.0033 -9.0033 -7.6163 -7.6163 -7.6162 -7.6162 -7.6022 -7.6022 -7.6020 -7.6020 -3.6900 -3.6900 -3.6888 -3.6888 -3.6372 -3.6372 -3.6362 -3.6362 -0.0848 -0.0848 -0.0811 -0.0811 -0.0260 -0.0260 -0.0231 -0.0231 1.2104 1.2104 1.2201 1.2201 1.5006 1.5006 1.5278 1.5278 2.1031 2.1031 2.1305 2.1305 2.2656 2.2656 2.2718 2.2718 2.7619 2.7619 2.7720 2.7720 3.2169 3.2169 3.2212 3.2212 3.3444 3.3444 3.3690 3.3690 3.5061 3.5061 3.5074 3.5074 3.9111 3.9111 3.9322 3.9322 4.0199 4.0199 4.0383 4.0383 7.7295 7.7295 7.7434 7.7434 8.0577 8.0577 8.0683 8.0683 8.2960 8.2960 8.3151 8.3151 8.6273 8.6273 k = 0.5000 0.1568-0.0000 ( 12602 PWs) bands (ev): -9.0757 -9.0757 -9.0754 -9.0754 -9.0079 -9.0079 -9.0076 -9.0076 -7.6156 -7.6156 -7.6155 -7.6155 -7.6031 -7.6031 -7.6028 -7.6028 -3.6879 -3.6879 -3.6865 -3.6865 -3.6410 -3.6410 -3.6399 -3.6399 -0.0800 -0.0800 -0.0760 -0.0760 -0.0232 -0.0232 -0.0203 -0.0203 1.2385 1.2385 1.2492 1.2492 1.4842 1.4842 1.5118 1.5118 2.1050 2.1050 2.1318 2.1318 2.2447 2.2447 2.2539 2.2539 2.7761 2.7761 2.7845 2.7845 3.2013 3.2013 3.2075 3.2075 3.3387 3.3387 3.3630 3.3630 3.4918 3.4918 3.4919 3.4919 3.9219 3.9219 3.9484 3.9484 4.0138 4.0138 4.0292 4.0292 7.7514 7.7514 7.7686 7.7686 8.0359 8.0359 8.0427 8.0427 8.2962 8.2962 8.3142 8.3142 8.6059 8.6059 k = 0.5000 0.1689-0.0000 ( 12614 PWs) bands (ev): -9.0713 -9.0713 -9.0710 -9.0710 -9.0124 -9.0124 -9.0120 -9.0120 -7.6149 -7.6149 -7.6147 -7.6147 -7.6039 -7.6039 -7.6036 -7.6036 -3.6855 -3.6855 -3.6841 -3.6841 -3.6448 -3.6448 -3.6437 -3.6437 -0.0750 -0.0750 -0.0707 -0.0707 -0.0211 -0.0211 -0.0181 -0.0181 1.2655 1.2655 1.2772 1.2772 1.4690 1.4690 1.4971 1.4971 2.1063 2.1063 2.1320 2.1320 2.2240 2.2240 2.2365 2.2365 2.7950 2.7950 2.8015 2.8015 3.1800 3.1800 3.1891 3.1891 3.3355 3.3355 3.3583 3.3583 3.4740 3.4740 3.4753 3.4753 3.9314 3.9314 3.9638 3.9638 4.0127 4.0127 4.0239 4.0239 7.7689 7.7689 7.7899 7.7899 8.0163 8.0163 8.0189 8.0189 8.3017 8.3017 8.3188 8.3188 8.5830 8.5830 k = 0.5000 0.1810-0.0000 ( 12590 PWs) bands (ev): -9.0667 -9.0667 -9.0663 -9.0663 -9.0171 -9.0171 -9.0167 -9.0167 -7.6141 -7.6141 -7.6140 -7.6140 -7.6048 -7.6048 -7.6044 -7.6044 -3.6830 -3.6830 -3.6815 -3.6815 -3.6486 -3.6486 -3.6474 -3.6474 -0.0700 -0.0700 -0.0654 -0.0654 -0.0196 -0.0196 -0.0167 -0.0167 1.2911 1.2911 1.3036 1.3036 1.4551 1.4551 1.4835 1.4835 2.1074 2.1074 2.1316 2.1316 2.2044 2.2044 2.2203 2.2203 2.8178 2.8178 2.8221 2.8221 3.1541 3.1541 3.1666 3.1666 3.3348 3.3348 3.3555 3.3555 3.4548 3.4548 3.4574 3.4574 3.9396 3.9396 3.9778 3.9778 4.0151 4.0151 4.0216 4.0216 7.7819 7.7819 7.8071 7.8071 7.9974 7.9974 7.9993 7.9993 8.3124 8.3124 8.3286 8.3286 8.5586 8.5586 k = 0.5000 0.1930-0.0000 ( 12590 PWs) bands (ev): -9.0620 -9.0620 -9.0616 -9.0616 -9.0219 -9.0219 -9.0215 -9.0215 -7.6133 -7.6133 -7.6132 -7.6132 -7.6057 -7.6057 -7.6053 -7.6053 -3.6803 -3.6803 -3.6788 -3.6788 -3.6524 -3.6524 -3.6512 -3.6512 -0.0651 -0.0651 -0.0602 -0.0602 -0.0189 -0.0189 -0.0161 -0.0161 1.3148 1.3148 1.3279 1.3279 1.4419 1.4419 1.4709 1.4709 2.1088 2.1088 2.1312 2.1312 2.1863 2.1863 2.2058 2.2058 2.8438 2.8438 2.8453 2.8453 3.1249 3.1249 3.1412 3.1412 3.3366 3.3366 3.3548 3.3548 3.4353 3.4353 3.4390 3.4390 3.9467 3.9467 3.9900 3.9900 4.0192 4.0192 4.0213 4.0213 7.7907 7.7907 7.8204 7.8204 7.9789 7.9789 7.9854 7.9854 8.3279 8.3279 8.3432 8.3432 8.5331 8.5331 k = 0.5000 0.2051-0.0000 ( 12588 PWs) bands (ev): -9.0571 -9.0571 -9.0567 -9.0567 -9.0268 -9.0268 -9.0264 -9.0264 -7.6125 -7.6125 -7.6124 -7.6124 -7.6065 -7.6065 -7.6061 -7.6061 -3.6775 -3.6775 -3.6759 -3.6759 -3.6561 -3.6561 -3.6550 -3.6550 -0.0608 -0.0608 -0.0555 -0.0555 -0.0188 -0.0188 -0.0162 -0.0162 1.3364 1.3364 1.3496 1.3496 1.4293 1.4293 1.4591 1.4591 2.1111 2.1111 2.1311 2.1311 2.1700 2.1700 2.1934 2.1934 2.8697 2.8697 2.8719 2.8719 3.0936 3.0936 3.1146 3.1146 3.3408 3.3408 3.3565 3.3565 3.4163 3.4163 3.4214 3.4214 3.9527 3.9527 4.0002 4.0002 4.0218 4.0218 4.0235 4.0235 7.7962 7.7962 7.8301 7.8301 7.9638 7.9638 7.9746 7.9746 8.3476 8.3476 8.3616 8.3616 8.5065 8.5065 k = 0.5000 0.2172-0.0000 ( 12584 PWs) bands (ev): -9.0521 -9.0521 -9.0517 -9.0517 -9.0318 -9.0318 -9.0314 -9.0314 -7.6117 -7.6117 -7.6117 -7.6117 -7.6074 -7.6074 -7.6068 -7.6068 -3.6746 -3.6746 -3.6729 -3.6729 -3.6597 -3.6597 -3.6586 -3.6586 -0.0572 -0.0572 -0.0517 -0.0517 -0.0191 -0.0191 -0.0166 -0.0166 1.3558 1.3558 1.3682 1.3682 1.4166 1.4166 1.4481 1.4481 2.1146 2.1146 2.1316 2.1316 2.1559 2.1559 2.1836 2.1836 2.8934 2.8934 2.9009 2.9009 3.0621 3.0621 3.0891 3.0891 3.3475 3.3475 3.3607 3.3607 3.3986 3.3986 3.4052 3.4052 3.9574 3.9574 4.0084 4.0084 4.0221 4.0221 4.0272 4.0272 7.7992 7.7992 7.8367 7.8367 7.9526 7.9526 7.9670 7.9670 8.3704 8.3704 8.3824 8.3824 8.4793 8.4793 k = 0.5000 0.2292-0.0000 ( 12580 PWs) bands (ev): -9.0471 -9.0471 -9.0467 -9.0467 -9.0369 -9.0369 -9.0365 -9.0365 -7.6111 -7.6111 -7.6110 -7.6110 -7.6081 -7.6081 -7.6074 -7.6074 -3.6717 -3.6717 -3.6698 -3.6698 -3.6629 -3.6629 -3.6620 -3.6620 -0.0548 -0.0548 -0.0490 -0.0490 -0.0195 -0.0195 -0.0172 -0.0172 1.3732 1.3732 1.3821 1.3821 1.4034 1.4034 1.4389 1.4389 2.1192 2.1192 2.1323 2.1323 2.1448 2.1448 2.1770 2.1770 2.9123 2.9123 2.9274 2.9274 3.0340 3.0340 3.0689 3.0689 3.3565 3.3565 3.3671 3.3671 3.3827 3.3827 3.3912 3.3912 3.9603 3.9603 4.0144 4.0144 4.0214 4.0214 4.0296 4.0296 7.8006 7.8006 7.8405 7.8405 7.9456 7.9456 7.9624 7.9624 8.3951 8.3951 8.4028 8.4028 8.4522 8.4522 k = 0.5000 0.2413-0.0000 ( 12584 PWs) bands (ev): -9.0420 -9.0420 -9.0419 -9.0419 -9.0417 -9.0417 -9.0415 -9.0415 -7.6108 -7.6108 -7.6106 -7.6106 -7.6084 -7.6084 -7.6077 -7.6077 -3.6701 -3.6701 -3.6678 -3.6678 -3.6646 -3.6646 -3.6642 -3.6642 -0.0539 -0.0539 -0.0481 -0.0481 -0.0196 -0.0196 -0.0174 -0.0174 1.3870 1.3870 1.3878 1.3878 1.3911 1.3911 1.4348 1.4348 2.1222 2.1222 2.1327 2.1327 2.1396 2.1396 2.1746 2.1746 2.9200 2.9200 2.9405 2.9405 3.0203 3.0203 3.0607 3.0607 3.3655 3.3655 3.3713 3.3713 3.3727 3.3727 3.3831 3.3831 3.9614 3.9614 4.0176 4.0176 4.0201 4.0201 4.0304 4.0304 7.8009 7.8009 7.8417 7.8417 7.9432 7.9432 7.9609 7.9609 8.4136 8.4136 8.4148 8.4148 8.4317 8.4317 k = 0.5000 0.2413-0.0000 ( 12584 PWs) bands (ev): -9.0420 -9.0420 -9.0419 -9.0419 -9.0417 -9.0417 -9.0415 -9.0415 -7.6108 -7.6108 -7.6106 -7.6106 -7.6084 -7.6084 -7.6077 -7.6077 -3.6701 -3.6701 -3.6678 -3.6678 -3.6646 -3.6646 -3.6642 -3.6642 -0.0539 -0.0539 -0.0481 -0.0481 -0.0196 -0.0196 -0.0174 -0.0174 1.3870 1.3870 1.3878 1.3878 1.3911 1.3911 1.4348 1.4348 2.1222 2.1222 2.1327 2.1327 2.1396 2.1396 2.1746 2.1746 2.9200 2.9200 2.9405 2.9405 3.0203 3.0203 3.0607 3.0607 3.3655 3.3655 3.3713 3.3713 3.3727 3.3727 3.3831 3.3831 3.9614 3.9614 4.0176 4.0176 4.0201 4.0201 4.0304 4.0304 7.8009 7.8009 7.8417 7.8417 7.9432 7.9432 7.9609 7.9609 8.4136 8.4136 8.4148 8.4148 8.4317 8.4317 k = 0.4875 0.2413-0.0000 ( 12580 PWs) bands (ev): -9.0484 -9.0483 -9.0480 -9.0479 -9.0370 -9.0370 -9.0367 -9.0365 -7.6539 -7.6536 -7.6515 -7.6507 -7.5681 -7.5679 -7.5656 -7.5649 -3.7221 -3.7197 -3.7168 -3.7165 -3.6158 -3.6135 -3.6102 -3.6096 -0.0669 -0.0608 -0.0378 -0.0329 -0.0322 -0.0306 -0.0034 -0.0013 1.3676 1.3721 1.3781 1.4014 1.4021 1.4048 1.4156 1.4522 2.0836 2.0900 2.0993 2.1354 2.1596 2.1757 2.1797 2.2125 2.9032 2.9285 2.9416 2.9577 3.0085 3.0360 3.0461 3.0790 3.3413 3.3463 3.3526 3.3565 3.3931 3.3961 3.3991 3.4130 3.9583 3.9648 4.0148 4.0192 4.0209 4.0216 4.0300 4.0314 7.7615 7.8026 7.8367 7.8765 7.8902 7.9068 7.9941 8.0129 8.4102 8.4109 8.4109 8.4166 8.4189 8.4454 k = 0.4750 0.2413-0.0000 ( 12576 PWs) bands (ev): -9.0562 -9.0561 -9.0558 -9.0556 -9.0335 -9.0334 -9.0331 -9.0330 -7.6970 -7.6967 -7.6946 -7.6939 -7.5258 -7.5256 -7.5233 -7.5226 -3.7716 -3.7692 -3.7665 -3.7663 -3.5594 -3.5571 -3.5536 -3.5529 -0.0768 -0.0705 -0.0431 -0.0407 -0.0186 -0.0133 0.0159 0.0179 1.3465 1.3544 1.3630 1.3946 1.4112 1.4132 1.4210 1.4680 2.0451 2.0485 2.0598 2.0964 2.1948 2.2178 2.2185 2.2478 2.8922 2.9221 2.9670 2.9795 3.0010 3.0355 3.0554 3.1004 3.3213 3.3248 3.3344 3.3363 3.4218 3.4232 3.4290 3.4454 3.9557 3.9686 4.0125 4.0190 4.0238 4.0248 4.0303 4.0332 7.7187 7.7595 7.8355 7.8510 7.8685 7.9066 8.0420 8.0620 8.3913 8.4072 8.4085 8.4201 8.4234 8.4257 k = 0.4625 0.2413-0.0000 ( 12592 PWs) bands (ev): -9.0654 -9.0653 -9.0650 -9.0649 -9.0312 -9.0312 -9.0309 -9.0307 -7.7400 -7.7396 -7.7377 -7.7369 -7.4842 -7.4841 -7.4817 -7.4810 -3.8184 -3.8159 -3.8135 -3.8134 -3.5011 -3.4989 -3.4951 -3.4943 -0.0837 -0.0771 -0.0505 -0.0479 0.0037 0.0087 0.0382 0.0402 1.3237 1.3345 1.3457 1.3717 1.4186 1.4232 1.4358 1.4822 2.0079 2.0094 2.0222 2.0586 2.2264 2.2547 2.2577 2.2788 2.8879 2.9219 2.9953 2.9979 3.0054 3.0290 3.0779 3.1244 3.3065 3.3074 3.3181 3.3249 3.4493 3.4551 3.4602 3.4793 3.9536 3.9729 4.0106 4.0198 4.0267 4.0295 4.0311 4.0358 7.6730 7.7131 7.7796 7.7940 7.8961 7.9318 8.0860 8.1071 8.3747 8.4039 8.4066 8.4079 8.4243 8.4285 k = 0.4500 0.2413-0.0000 ( 12584 PWs) bands (ev): -9.0760 -9.0759 -9.0756 -9.0755 -9.0303 -9.0302 -9.0300 -9.0298 -7.7826 -7.7823 -7.7804 -7.7796 -7.4435 -7.4434 -7.4410 -7.4403 -3.8623 -3.8599 -3.8577 -3.8576 -3.4411 -3.4389 -3.4350 -3.4340 -0.0876 -0.0808 -0.0549 -0.0522 0.0290 0.0337 0.0636 0.0655 1.2992 1.3125 1.3261 1.3470 1.4243 1.4314 1.4492 1.4947 1.9730 1.9735 1.9874 2.0231 2.2532 2.2873 2.2944 2.3040 2.8911 2.9279 2.9993 3.0255 3.0266 3.0345 3.1028 3.1498 3.2948 3.2979 3.3089 3.3189 3.4780 3.4881 3.4923 3.5140 3.9523 3.9780 4.0092 4.0216 4.0304 4.0325 4.0352 4.0396 7.6247 7.6638 7.7228 7.7361 7.9193 7.9521 8.1250 8.1469 8.3601 8.3917 8.4011 8.4054 8.4301 8.4348 k = 0.4375 0.2413-0.0000 ( 12598 PWs) bands (ev): -9.0881 -9.0879 -9.0876 -9.0875 -9.0306 -9.0305 -9.0303 -9.0301 -7.8249 -7.8245 -7.8227 -7.8218 -7.4040 -7.4039 -7.4014 -7.4007 -3.9033 -3.9008 -3.8990 -3.8988 -3.3796 -3.3775 -3.3735 -3.3723 -0.0885 -0.0815 -0.0564 -0.0537 0.0575 0.0618 0.0919 0.0937 1.2730 1.2885 1.3042 1.3206 1.4284 1.4379 1.4613 1.5056 1.9417 1.9420 1.9565 1.9911 2.2743 2.3152 2.3223 2.3266 2.9025 2.9401 3.0053 3.0285 3.0565 3.0664 3.1294 3.1753 3.2875 3.2962 3.3085 3.3191 3.5072 3.5218 3.5247 3.5488 3.9520 3.9842 4.0085 4.0246 4.0346 4.0353 4.0422 4.0450 7.5744 7.6122 7.6653 7.6777 7.9380 7.9674 8.1573 8.1795 8.3472 8.3770 8.3988 8.4045 8.4390 8.4434 k = 0.4250 0.2413-0.0000 ( 12586 PWs) bands (ev): -9.1015 -9.1013 -9.1010 -9.1009 -9.0321 -9.0320 -9.0318 -9.0316 -7.8665 -7.8660 -7.8644 -7.8635 -7.3658 -7.3657 -7.3632 -7.3625 -3.9411 -3.9387 -3.9371 -3.9369 -3.3169 -3.3149 -3.3108 -3.3095 -0.0865 -0.0793 -0.0551 -0.0523 0.0889 0.0928 0.1231 0.1249 1.2454 1.2625 1.2800 1.2925 1.4309 1.4428 1.4720 1.5146 1.9153 1.9157 1.9303 1.9634 2.2891 2.3329 2.3373 2.3531 2.9218 2.9584 3.0157 3.0349 3.0872 3.1002 3.1572 3.1996 3.2858 3.3016 3.3175 3.3258 3.5368 3.5558 3.5568 3.5831 3.9530 3.9918 4.0085 4.0288 4.0373 4.0420 4.0509 4.0524 7.5224 7.5587 7.6076 7.6189 7.9522 7.9779 8.1814 8.2032 8.3358 8.3637 8.3969 8.4038 8.4525 8.4555 k = 0.4125 0.2413-0.0000 ( 12582 PWs) bands (ev): -9.1162 -9.1160 -9.1157 -9.1156 -9.0347 -9.0347 -9.0344 -9.0343 -7.9073 -7.9068 -7.9053 -7.9043 -7.3291 -7.3290 -7.3265 -7.3258 -3.9758 -3.9733 -3.9721 -3.9717 -3.2533 -3.2514 -3.2472 -3.2457 -0.0815 -0.0741 -0.0510 -0.0481 0.1231 0.1267 0.1572 0.1589 1.2165 1.2347 1.2538 1.2631 1.4319 1.4459 1.4812 1.5215 1.8948 1.8955 1.9096 1.9411 2.2973 2.3360 2.3533 2.3733 2.9484 2.9818 3.0304 3.0457 3.1170 3.1354 3.1859 3.2226 3.2897 3.3136 3.3356 3.3390 3.5665 3.5884 3.5898 3.6164 3.9558 4.0015 4.0096 4.0342 4.0409 4.0510 4.0616 4.0621 7.4691 7.5040 7.5497 7.5601 7.9618 7.9838 8.1962 8.2169 8.3255 8.3516 8.3951 8.4027 8.4717 8.4719 k = 0.4000 0.2413-0.0000 ( 12570 PWs) bands (ev): -9.1322 -9.1320 -9.1317 -9.1316 -9.0384 -9.0384 -9.0381 -9.0380 -7.9473 -7.9468 -7.9454 -7.9443 -7.2941 -7.2940 -7.2915 -7.2908 -4.0071 -4.0047 -4.0037 -4.0033 -3.1890 -3.1872 -3.1829 -3.1813 -0.0737 -0.0661 -0.0442 -0.0411 0.1601 0.1632 0.1939 0.1955 1.1867 1.2055 1.2256 1.2325 1.4315 1.4475 1.4888 1.5259 1.8813 1.8818 1.8951 1.9252 2.2993 2.3322 2.3630 2.3868 2.9807 3.0092 3.0487 3.0607 3.1454 3.1713 3.2155 3.2452 3.2991 3.3310 3.3580 3.3604 3.5963 3.6192 3.6238 3.6484 3.9607 4.0121 4.0137 4.0410 4.0456 4.0630 4.0744 4.0746 7.4149 7.4483 7.4919 7.5013 7.9667 7.9850 8.2016 8.2212 8.3162 8.3405 8.3928 8.4007 8.4928 8.4960 k = 0.3875 0.2413-0.0000 ( 12566 PWs) bands (ev): -9.1494 -9.1491 -9.1488 -9.1488 -9.0431 -9.0430 -9.0428 -9.0427 -7.9864 -7.9857 -7.9844 -7.9834 -7.2610 -7.2609 -7.2584 -7.2577 -4.0351 -4.0327 -4.0320 -4.0315 -3.1243 -3.1225 -3.1182 -3.1165 -0.0630 -0.0552 -0.0345 -0.0313 0.1996 0.2023 0.2330 0.2346 1.1562 1.1752 1.1959 1.2013 1.4300 1.4476 1.4947 1.5277 1.8750 1.8758 1.8873 1.9163 2.2957 2.3227 2.3670 2.3939 3.0171 3.0392 3.0699 3.0794 3.1725 3.2074 3.2465 3.2691 3.3135 3.3521 3.3815 3.3889 3.6263 3.6489 3.6576 3.6786 3.9682 4.0163 4.0291 4.0493 4.0517 4.0781 4.0894 4.0903 7.3602 7.3921 7.4345 7.4429 7.9670 7.9817 8.1987 8.2173 8.3075 8.3303 8.3896 8.3979 8.5171 8.5237 k = 0.3750 0.2413-0.0000 ( 12572 PWs) bands (ev): -9.1677 -9.1674 -9.1671 -9.1671 -9.0486 -9.0486 -9.0483 -9.0483 -8.0243 -8.0236 -8.0225 -8.0214 -7.2299 -7.2299 -7.2274 -7.2266 -4.0598 -4.0574 -4.0570 -4.0564 -3.0594 -3.0578 -3.0535 -3.0516 -0.0494 -0.0413 -0.0221 -0.0187 0.2414 0.2434 0.2742 0.2757 1.1255 1.1441 1.1652 1.1698 1.4279 1.4468 1.4991 1.5274 1.8751 1.8785 1.8860 1.9150 2.2875 2.3086 2.3662 2.3955 3.0553 3.0702 3.0929 3.1005 3.1987 3.2431 3.2791 3.2952 3.3325 3.3752 3.4080 3.4184 3.6568 3.6776 3.6913 3.7071 3.9789 4.0227 4.0480 4.0597 4.0597 4.0966 4.1072 4.1087 7.3053 7.3358 7.3776 7.3850 7.9627 7.9740 8.1888 8.2070 8.2993 8.3208 8.3853 8.3940 8.5431 8.5529 k = 0.3625 0.2413-0.0000 ( 12556 PWs) bands (ev): -9.1869 -9.1866 -9.1864 -9.1863 -9.0551 -9.0550 -9.0548 -9.0547 -8.0612 -8.0604 -8.0594 -8.0582 -7.2010 -7.2010 -7.1985 -7.1978 -4.0811 -4.0788 -4.0785 -4.0779 -2.9947 -2.9932 -2.9889 -2.9869 -0.0328 -0.0245 -0.0069 -0.0034 0.2849 0.2864 0.3171 0.3185 1.0952 1.1129 1.1340 1.1386 1.4258 1.4455 1.5022 1.5254 1.8816 1.8891 1.8911 1.9215 2.2757 2.2913 2.3617 2.3927 3.0931 3.1006 3.1164 3.1228 3.2247 3.2773 3.3129 3.3239 3.3561 3.3989 3.4360 3.4468 3.6882 3.7052 3.7246 3.7339 3.9933 4.0319 4.0699 4.0706 4.0724 4.1186 4.1278 4.1300 7.2506 7.2798 7.3215 7.3278 7.9536 7.9620 8.1731 8.1913 8.2914 8.3119 8.3798 8.3891 8.5694 8.5819 k = 0.3500 0.2413-0.0000 ( 12566 PWs) bands (ev): -9.2071 -9.2068 -9.2066 -9.2065 -9.0622 -9.0622 -9.0619 -9.0619 -8.0968 -8.0960 -8.0951 -8.0939 -7.1743 -7.1743 -7.1719 -7.1711 -4.0991 -4.0968 -4.0968 -4.0962 -2.9304 -2.9290 -2.9249 -2.9226 -0.0133 -0.0048 0.0112 0.0149 0.3298 0.3306 0.3610 0.3624 1.0660 1.0822 1.1030 1.1085 1.4243 1.4444 1.5047 1.5228 1.8939 1.9018 1.9070 1.9355 2.2613 2.2718 2.3552 2.3872 3.1284 3.1289 3.1393 3.1446 3.2511 3.3086 3.3470 3.3547 3.3847 3.4229 3.4645 3.4730 3.7204 3.7317 3.7573 3.7591 4.0122 4.0445 4.0827 4.0879 4.0967 4.1437 4.1510 4.1541 7.1965 7.2243 7.2664 7.2716 7.9399 7.9458 8.1525 8.1711 8.2837 8.3034 8.3730 8.3830 8.5946 8.6094 k = 0.3375 0.2413-0.0000 ( 12574 PWs) bands (ev): -9.2281 -9.2278 -9.2276 -9.2275 -9.0701 -9.0700 -9.0698 -9.0697 -8.1312 -8.1304 -8.1296 -8.1283 -7.1501 -7.1500 -7.1477 -7.1469 -4.1140 -4.1118 -4.1117 -4.1112 -2.8669 -2.8656 -2.8615 -2.8592 0.0092 0.0180 0.0322 0.0361 0.3752 0.3753 0.4052 0.4064 1.0389 1.0529 1.0733 1.0804 1.4240 1.4443 1.5072 1.5207 1.9112 1.9173 1.9312 1.9564 2.2456 2.2512 2.3481 2.3804 3.1541 3.1591 3.1604 3.1648 3.2780 3.3355 3.3791 3.3866 3.4187 3.4482 3.4932 3.4967 3.7533 3.7572 3.7829 3.7889 4.0359 4.0610 4.0985 4.1064 4.1259 4.1717 4.1765 4.1809 7.1432 7.1699 7.2124 7.2165 7.9217 7.9255 8.1278 8.1471 8.2758 8.2952 8.3647 8.3757 8.6177 8.6344 k = 0.3250 0.2413-0.0000 ( 12574 PWs) bands (ev): -9.2498 -9.2494 -9.2492 -9.2491 -9.0785 -9.0785 -9.0782 -9.0782 -8.1644 -8.1634 -8.1628 -8.1615 -7.1281 -7.1281 -7.1258 -7.1250 -4.1257 -4.1237 -4.1235 -4.1230 -2.8044 -2.8031 -2.7993 -2.7968 0.0347 0.0438 0.0561 0.0602 0.4192 0.4203 0.4486 0.4494 1.0151 1.0261 1.0461 1.0556 1.4257 1.4458 1.5107 1.5199 1.9323 1.9363 1.9605 1.9835 2.2297 2.2305 2.3421 2.3741 3.1755 3.1790 3.1823 3.1841 3.3049 3.3576 3.4058 3.4179 3.4574 3.4773 3.5187 3.5223 3.7816 3.7863 3.8052 3.8187 4.0646 4.0819 4.1177 4.1280 4.1579 4.2023 4.2040 4.2103 7.0913 7.1168 7.1600 7.1628 7.8992 7.9011 8.0995 8.1196 8.2677 8.2869 8.3548 8.3670 8.6379 8.6562 k = 0.3125 0.2413-0.0000 ( 12572 PWs) bands (ev): -9.2719 -9.2716 -9.2714 -9.2712 -9.0874 -9.0874 -9.0871 -9.0871 -8.1962 -8.1953 -8.1947 -8.1934 -7.1086 -7.1085 -7.1062 -7.1055 -4.1344 -4.1326 -4.1323 -4.1320 -2.7431 -2.7420 -2.7384 -2.7358 0.0633 0.0728 0.0830 0.0873 0.4612 0.4634 0.4894 0.4896 0.9964 1.0035 1.0228 1.0357 1.4298 1.4496 1.5158 1.5213 1.9562 1.9574 1.9934 2.0156 2.2108 2.2153 2.3390 2.3700 3.1928 3.1946 3.1966 3.2032 3.3305 3.3754 3.4248 3.4456 3.4994 3.5115 3.5411 3.5523 3.8048 3.8186 3.8259 3.8463 4.0981 4.1072 4.1404 4.1524 4.1920 4.2332 4.2351 4.2419 7.0410 7.0656 7.1094 7.1108 7.8724 7.8730 8.0679 8.0891 8.2591 8.2785 8.3433 8.3568 8.6544 8.6741 k = 0.3000 0.2413-0.0000 ( 12558 PWs) bands (ev): -9.2945 -9.2941 -9.2940 -9.2938 -9.0967 -9.0967 -9.0964 -9.0964 -8.2268 -8.2258 -8.2254 -8.2240 -7.0914 -7.0912 -7.0891 -7.0883 -4.1404 -4.1388 -4.1383 -4.1381 -2.6834 -2.6825 -2.6791 -2.6763 0.0950 0.1049 0.1128 0.1176 0.4990 0.5024 0.5248 0.5256 0.9849 0.9870 1.0056 1.0228 1.4367 1.4561 1.5232 1.5255 1.9791 1.9813 2.0276 2.0510 2.1940 2.2048 2.3408 2.3698 3.2061 3.2069 3.2075 3.2172 3.3528 3.3894 3.4368 3.4663 3.5431 3.5494 3.5668 3.5839 3.8265 3.8450 3.8494 3.8711 4.1356 4.1365 4.1665 4.1794 4.2275 4.2637 4.2696 4.2754 6.9928 7.0165 7.0607 7.0608 7.8413 7.8418 8.0334 8.0557 8.2500 8.2698 8.3301 8.3450 8.6667 8.6874 k = 0.2875 0.2413-0.0000 ( 12564 PWs) bands (ev): -9.3173 -9.3169 -9.3168 -9.3166 -9.1064 -9.1064 -9.1061 -9.1061 -8.2560 -8.2550 -8.2547 -8.2532 -7.0764 -7.0763 -7.0742 -7.0735 -4.1438 -4.1423 -4.1418 -4.1417 -2.6256 -2.6248 -2.6216 -2.6188 0.1298 0.1403 0.1456 0.1508 0.5302 0.5348 0.5523 0.5550 0.9791 0.9832 0.9968 1.0191 1.4469 1.4657 1.5329 1.5335 1.9998 2.0064 2.0592 2.0854 2.1842 2.2022 2.3492 2.3752 3.2151 3.2158 3.2160 3.2269 3.3708 3.3998 3.4433 3.4786 3.5873 3.5889 3.5967 3.6172 3.8466 3.8624 3.8777 3.8930 4.1690 4.1763 4.1955 4.2083 4.2639 4.2950 4.3052 4.3105 6.9472 6.9701 7.0130 7.0147 7.8064 7.8077 7.9963 8.0199 8.2401 8.2604 8.3149 8.3314 8.6744 8.6956 k = 0.2750 0.2413-0.0000 ( 12580 PWs) bands (ev): -9.3403 -9.3399 -9.3398 -9.3395 -9.1163 -9.1163 -9.1161 -9.1160 -8.2840 -8.2829 -8.2827 -8.2812 -7.0637 -7.0635 -7.0615 -7.0608 -4.1449 -4.1435 -4.1430 -4.1429 -2.5699 -2.5692 -2.5663 -2.5634 0.1676 0.1790 0.1812 0.1871 0.5522 0.5581 0.5701 0.5754 0.9823 0.9930 0.9987 1.0266 1.4606 1.4788 1.5437 1.5471 2.0184 2.0300 2.0817 2.1081 2.1924 2.2140 2.3656 2.3879 3.2197 3.2223 3.2226 3.2334 3.3838 3.4069 3.4455 3.4837 3.6280 3.6289 3.6310 3.6515 3.8647 3.8783 3.9031 3.9120 4.2036 4.2188 4.2269 4.2385 4.3005 4.3267 4.3415 4.3466 6.9046 6.9269 6.9679 6.9714 7.7686 7.7704 7.9569 7.9817 8.2293 8.2502 8.2978 8.3159 8.6771 8.6984 k = 0.2625 0.2413-0.0000 ( 12572 PWs) bands (ev): -9.3632 -9.3628 -9.3627 -9.3624 -9.1264 -9.1264 -9.1262 -9.1261 -8.3106 -8.3095 -8.3094 -8.3079 -7.0530 -7.0528 -7.0509 -7.0502 -4.1439 -4.1426 -4.1421 -4.1420 -2.5165 -2.5159 -2.5133 -2.5103 0.2084 0.2194 0.2209 0.2262 0.5637 0.5707 0.5778 0.5863 0.9978 1.0125 1.0148 1.0457 1.4782 1.4956 1.5583 1.5641 2.0343 2.0515 2.0924 2.1119 2.2254 2.2432 2.3908 2.4088 3.2218 3.2262 3.2272 3.2374 3.3922 3.4108 3.4443 3.4835 3.6607 3.6652 3.6731 3.6861 3.8806 3.8932 3.9250 3.9286 4.2391 4.2598 4.2620 4.2690 4.3369 4.3583 4.3777 4.3834 6.8656 6.8875 6.9260 6.9314 7.7282 7.7304 7.9153 7.9415 8.2175 8.2391 8.2787 8.2983 8.6749 8.6956 k = 0.2500 0.2413-0.0000 ( 12588 PWs) bands (ev): -9.3860 -9.3856 -9.3855 -9.3852 -9.1366 -9.1365 -9.1363 -9.1363 -8.3360 -8.3349 -8.3348 -8.3333 -7.0444 -7.0441 -7.0423 -7.0416 -4.1410 -4.1398 -4.1393 -4.1392 -2.4656 -2.4651 -2.4628 -2.4598 0.2518 0.2597 0.2659 0.2677 0.5650 0.5734 0.5771 0.5890 1.0247 1.0373 1.0467 1.0751 1.4999 1.5163 1.5768 1.5850 2.0482 2.0709 2.0959 2.1084 2.2720 2.2852 2.4241 2.4380 3.2221 3.2281 3.2304 3.2399 3.3964 3.4118 3.4401 3.4796 3.6893 3.6990 3.7125 3.7195 3.8944 3.9078 3.9433 3.9435 4.2742 4.2928 4.2991 4.3044 4.3724 4.3895 4.4133 4.4200 6.8307 6.8523 6.8876 6.8952 7.6857 7.6882 7.8718 7.8993 8.2045 8.2268 8.2576 8.2788 8.6679 8.6874 k = 0.2375 0.2413-0.0000 ( 12580 PWs) bands (ev): -9.4085 -9.4080 -9.4080 -9.4077 -9.1468 -9.1467 -9.1465 -9.1465 -8.3600 -8.3590 -8.3589 -8.3575 -7.0375 -7.0371 -7.0354 -7.0348 -4.1366 -4.1354 -4.1349 -4.1349 -2.4174 -2.4170 -2.4150 -2.4119 0.2972 0.3010 0.3107 0.3138 0.5582 0.5689 0.5711 0.5866 1.0602 1.0704 1.0855 1.1119 1.5260 1.5412 1.5995 1.6099 2.0614 2.0890 2.0982 2.1056 2.3240 2.3339 2.4644 2.4745 3.2210 3.2288 3.2331 3.2414 3.3972 3.4101 3.4333 3.4730 3.7121 3.7278 3.7476 3.7500 3.9066 3.9234 3.9572 3.9591 4.3077 4.3248 4.3279 4.3446 4.4068 4.4199 4.4476 4.4559 6.8005 6.8220 6.8533 6.8634 7.6416 7.6442 7.8266 7.8553 8.1903 8.2132 8.2347 8.2574 8.6565 8.6739 k = 0.2250 0.2413-0.0000 ( 12586 PWs) bands (ev): -9.4305 -9.4301 -9.4301 -9.4298 -9.1569 -9.1569 -9.1567 -9.1566 -8.3828 -8.3818 -8.3817 -8.3804 -7.0322 -7.0319 -7.0303 -7.0297 -4.1308 -4.1297 -4.1293 -4.1293 -2.3721 -2.3718 -2.3700 -2.3669 0.3412 0.3431 0.3533 0.3639 0.5465 0.5611 0.5643 0.5834 1.1008 1.1084 1.1280 1.1529 1.5571 1.5706 1.6267 1.6390 2.0754 2.1028 2.1065 2.1073 2.3783 2.3858 2.5100 2.5168 3.2193 3.2289 3.2361 3.2428 3.3952 3.4061 3.4245 3.4646 3.7269 3.7496 3.7759 3.7763 3.9186 3.9412 3.9715 3.9725 4.3387 4.3543 4.3544 4.3810 4.4400 4.4492 4.4801 4.4901 6.7755 6.7970 6.8237 6.8365 7.5964 7.5989 7.7798 7.8097 8.1746 8.1982 8.2102 8.2342 8.6409 8.6553 k = 0.2125 0.2413-0.0000 ( 12592 PWs) bands (ev): -9.4521 -9.4517 -9.4516 -9.4513 -9.1669 -9.1669 -9.1667 -9.1666 -8.4043 -8.4034 -8.4033 -8.4020 -7.0284 -7.0280 -7.0266 -7.0260 -4.1240 -4.1230 -4.1226 -4.1225 -2.3296 -2.3294 -2.3280 -2.3249 0.3764 0.3859 0.3907 0.4135 0.5344 0.5560 0.5631 0.5853 1.1431 1.1479 1.1711 1.1948 1.5937 1.6050 1.6588 1.6727 2.0918 2.1116 2.1125 2.1270 2.4333 2.4386 2.5591 2.5630 3.2176 3.2289 3.2403 3.2447 3.3912 3.4000 3.4138 3.4549 3.7320 3.7627 3.7949 3.7956 3.9323 3.9620 3.9851 3.9876 4.3661 4.3778 4.3799 4.4121 4.4718 4.4773 4.5103 4.5221 6.7561 6.7780 6.7992 6.8151 7.5506 7.5530 7.7316 7.7625 8.1575 8.1817 8.1843 8.2095 8.6214 8.6315 k = 0.2000 0.2413-0.0000 ( 12590 PWs) bands (ev): -9.4730 -9.4726 -9.4725 -9.4722 -9.1767 -9.1767 -9.1765 -9.1764 -8.4246 -8.4238 -8.4235 -8.4223 -7.0260 -7.0255 -7.0242 -7.0237 -4.1164 -4.1154 -4.1150 -4.1150 -2.2901 -2.2900 -2.2888 -2.2857 0.4005 0.4149 0.4172 0.4519 0.5347 0.5633 0.5769 0.5997 1.1843 1.1863 1.2123 1.2348 1.6363 1.6447 1.6964 1.7113 2.1117 2.1242 2.1254 2.1495 2.4878 2.4908 2.6097 2.6112 3.2168 3.2298 3.2467 3.2476 3.3860 3.3920 3.4018 3.4444 3.7275 3.7663 3.8033 3.8050 3.9496 3.9853 3.9984 4.0062 4.3892 4.3971 4.4005 4.4364 4.5023 4.5042 4.5378 4.5512 6.7428 6.7653 6.7805 6.7997 7.5047 7.5069 7.6822 7.7141 8.1389 8.1574 8.1634 8.1837 8.5973 8.6017 k = 0.1875 0.2413-0.0000 ( 12590 PWs) bands (ev): -9.4931 -9.4928 -9.4927 -9.4924 -9.1863 -9.1862 -9.1861 -9.1860 -8.4436 -8.4429 -8.4426 -8.4414 -7.0246 -7.0242 -7.0229 -7.0224 -4.1082 -4.1073 -4.1070 -4.1069 -2.2537 -2.2536 -2.2527 -2.2496 0.4096 0.4208 0.4282 0.4575 0.5694 0.5929 0.6115 0.6313 1.2213 1.2222 1.2496 1.2709 1.6853 1.6904 1.7401 1.7553 2.1359 2.1419 2.1446 2.1755 2.5406 2.5411 2.6592 2.6601 3.2177 3.2321 3.2517 3.2560 3.3805 3.3826 3.3887 3.4338 3.7140 3.7605 3.7994 3.8048 3.9701 4.0101 4.0131 4.0267 4.4071 4.4118 4.4151 4.4532 4.5296 4.5311 4.5626 4.5768 6.7356 6.7590 6.7678 6.7907 7.4592 7.4612 7.6319 7.6647 8.1187 8.1298 8.1435 8.1571 8.5647 8.5669 k = 0.1750 0.2413-0.0000 ( 12588 PWs) bands (ev): -9.5124 -9.5121 -9.5120 -9.5117 -9.1955 -9.1954 -9.1953 -9.1952 -8.4614 -8.4607 -8.4604 -8.4593 -7.0242 -7.0237 -7.0226 -7.0221 -4.0997 -4.0988 -4.0985 -4.0984 -2.2202 -2.2202 -2.2195 -2.2165 0.4065 0.4137 0.4225 0.4436 0.6262 0.6418 0.6620 0.6780 1.2518 1.2553 1.2817 1.3015 1.7408 1.7421 1.7901 1.8048 2.1648 2.1652 2.1688 2.2054 2.5885 2.5909 2.7050 2.7083 3.2209 3.2364 3.2567 3.2689 3.3717 3.3753 3.3761 3.4237 3.6927 3.7465 3.7858 3.7945 3.9916 4.0290 4.0352 4.0484 4.4191 4.4210 4.4233 4.4622 4.5534 4.5577 4.5847 4.5990 6.7346 6.7592 6.7614 6.7885 7.4148 7.4164 7.5811 7.6147 8.0968 8.1016 8.1217 8.1300 8.5191 8.5277 k = 0.1625 0.2413-0.0000 ( 12576 PWs) bands (ev): -9.5308 -9.5304 -9.5303 -9.5301 -9.2043 -9.2043 -9.2041 -9.2040 -8.4780 -8.4773 -8.4770 -8.4760 -7.0246 -7.0241 -7.0231 -7.0227 -4.0910 -4.0901 -4.0899 -4.0898 -2.1898 -2.1898 -2.1893 -2.1863 0.3962 0.4005 0.4091 0.4250 0.6904 0.7012 0.7218 0.7347 1.2772 1.2829 1.3080 1.3262 1.7996 1.8022 1.8462 1.8597 2.1934 2.1974 2.1981 2.2391 2.6322 2.6378 2.7464 2.7524 3.2268 3.2429 3.2613 3.2858 3.3598 3.3624 3.3749 3.4151 3.6648 3.7258 3.7645 3.7749 4.0122 4.0446 4.0593 4.0699 4.4246 4.4246 4.4251 4.4632 4.5754 4.5818 4.6041 4.6177 6.7395 6.7613 6.7657 6.7930 7.3719 7.3733 7.5302 7.5647 8.0729 8.0732 8.0980 8.1024 8.4646 8.4774 k = 0.1500 0.2413-0.0000 ( 12588 PWs) bands (ev): -9.5481 -9.5478 -9.5477 -9.5474 -9.2127 -9.2127 -9.2125 -9.2124 -8.4933 -8.4927 -8.4924 -8.4914 -7.0257 -7.0251 -7.0242 -7.0238 -4.0823 -4.0815 -4.0814 -4.0812 -2.1622 -2.1622 -2.1619 -2.1590 0.3825 0.3849 0.3929 0.4055 0.7583 0.7663 0.7869 0.7976 1.2976 1.3051 1.3287 1.3452 1.8622 1.8688 1.9078 1.9196 2.2251 2.2288 2.2355 2.2761 2.6721 2.6811 2.7817 2.7906 3.2351 3.2501 3.2633 3.3060 3.3473 3.3524 3.3796 3.4096 3.6319 3.7002 3.7374 3.7477 4.0303 4.0587 4.0814 4.0900 4.4210 4.4225 4.4232 4.4564 4.5955 4.6033 4.6211 4.6335 6.7498 6.7672 6.7779 6.8039 7.3314 7.3325 7.4799 7.5153 8.0435 8.0481 8.0725 8.0743 8.4023 8.4165 k = 0.1375 0.2413-0.0000 ( 12576 PWs) bands (ev): -9.5643 -9.5640 -9.5639 -9.5636 -9.2207 -9.2206 -9.2205 -9.2204 -8.5074 -8.5069 -8.5065 -8.5056 -7.0272 -7.0266 -7.0258 -7.0254 -4.0739 -4.0730 -4.0730 -4.0728 -2.1374 -2.1374 -2.1373 -2.1345 0.3675 0.3688 0.3760 0.3863 0.8284 0.8346 0.8552 0.8644 1.3138 1.3224 1.3444 1.3594 1.9290 1.9396 1.9739 1.9835 2.2586 2.2613 2.2760 2.3155 2.7086 2.7211 2.8097 2.8217 3.2436 3.2540 3.2607 3.3230 3.3396 3.3491 3.3917 3.4091 3.5955 3.6718 3.7068 3.7144 4.0446 4.0696 4.1004 4.1075 4.4120 4.4150 4.4154 4.4427 4.6135 4.6220 4.6359 4.6467 6.7644 6.7783 6.7949 6.8206 7.2939 7.2947 7.4312 7.4676 8.0132 8.0213 8.0453 8.0456 8.3347 8.3484 k = 0.1250 0.2413-0.0000 ( 12596 PWs) bands (ev): -9.5793 -9.5790 -9.5789 -9.5787 -9.2280 -9.2280 -9.2278 -9.2278 -8.5202 -8.5198 -8.5194 -8.5186 -7.0290 -7.0284 -7.0278 -7.0274 -4.0658 -4.0650 -4.0649 -4.0648 -2.1154 -2.1154 -2.1153 -2.1127 0.3524 0.3529 0.3593 0.3680 0.8995 0.9047 0.9252 0.9332 1.3266 1.3359 1.3562 1.3698 1.9984 2.0131 2.0433 2.0506 2.2918 2.2926 2.3185 2.3562 2.7429 2.7586 2.8304 2.8454 3.2486 3.2498 3.2536 3.3140 3.3562 3.3572 3.4100 3.4158 3.5583 3.6432 3.6752 3.6772 4.0540 4.0758 4.1152 4.1211 4.3995 4.4010 4.4043 4.4232 4.6294 4.6382 4.6488 4.6579 6.7820 6.7934 6.8151 6.8418 7.2607 7.2611 7.3852 7.4226 7.9814 7.9931 8.0160 8.0165 8.2647 8.2772 k = 0.1125 0.2413-0.0000 ( 12604 PWs) bands (ev): -9.5931 -9.5928 -9.5927 -9.5925 -9.2349 -9.2348 -9.2347 -9.2346 -8.5318 -8.5315 -8.5311 -8.5304 -7.0310 -7.0305 -7.0299 -7.0295 -4.0581 -4.0574 -4.0573 -4.0572 -2.0960 -2.0959 -2.0958 -2.0935 0.3378 0.3379 0.3435 0.3509 0.9708 0.9753 0.9955 1.0025 1.3369 1.3465 1.3652 1.3778 2.0690 2.0880 2.1151 2.1195 2.3204 2.3227 2.3618 2.3967 2.7767 2.7949 2.8451 2.8622 3.2373 3.2430 3.2468 3.2981 3.3710 3.3772 3.4272 3.4304 3.5259 3.6178 3.6393 3.6465 4.0576 4.0761 4.1239 4.1292 4.3831 4.3855 4.3909 4.4002 4.6432 4.6520 4.6598 4.6673 6.8009 6.8109 6.8368 6.8657 7.2330 7.2332 7.3438 7.3820 7.9471 7.9635 7.9849 7.9863 8.1954 8.2069 k = 0.1000 0.2413-0.0000 ( 12608 PWs) bands (ev): -9.6056 -9.6053 -9.6052 -9.6049 -9.2411 -9.2410 -9.2409 -9.2408 -8.5422 -8.5419 -8.5416 -8.5409 -7.0332 -7.0326 -7.0322 -7.0318 -4.0510 -4.0504 -4.0503 -4.0502 -2.0791 -2.0789 -2.0787 -2.0767 0.3241 0.3242 0.3289 0.3352 1.0408 1.0449 1.0643 1.0706 1.3460 1.3555 1.3730 1.3848 2.1387 2.1622 2.1878 2.1884 2.3429 2.3497 2.4046 2.4356 2.8112 2.8314 2.8559 2.8733 3.2197 3.2304 3.2368 3.2803 3.3855 3.3886 3.4292 3.4453 3.5135 3.6003 3.6072 3.6263 4.0546 4.0692 4.1245 4.1297 4.3642 4.3720 4.3768 4.3770 4.6551 4.6635 4.6693 4.6753 6.8188 6.8288 6.8574 6.8897 7.2119 7.2134 7.3092 7.3472 7.9097 7.9325 7.9517 7.9552 8.1298 8.1409 k = 0.0875 0.2413-0.0000 ( 12606 PWs) bands (ev): -9.6167 -9.6165 -9.6163 -9.6161 -9.2466 -9.2465 -9.2464 -9.2463 -8.5514 -8.5512 -8.5509 -8.5503 -7.0353 -7.0347 -7.0344 -7.0340 -4.0446 -4.0440 -4.0439 -4.0438 -2.0644 -2.0642 -2.0640 -2.0622 0.3116 0.3118 0.3156 0.3211 1.1077 1.1117 1.1295 1.1351 1.3552 1.3644 1.3812 1.3923 2.2046 2.2328 2.2543 2.2599 2.3593 2.3737 2.4467 2.4723 2.8469 2.8650 2.8683 2.8798 3.2003 3.2171 3.2190 3.2609 3.3863 3.3922 3.4110 3.4419 3.5309 3.5923 3.5953 3.6192 4.0449 4.0548 4.1145 4.1205 4.3477 4.3567 4.3605 4.3643 4.6653 4.6731 4.6773 4.6819 6.8335 6.8447 6.8743 6.9106 7.1994 7.2033 7.2843 7.3200 7.8684 7.9002 7.9158 7.9237 8.0707 8.0816 k = 0.0750 0.2413-0.0000 ( 12602 PWs) bands (ev): -9.6264 -9.6262 -9.6260 -9.6258 -9.2515 -9.2514 -9.2513 -9.2512 -8.5594 -8.5592 -8.5589 -8.5584 -7.0373 -7.0368 -7.0366 -7.0362 -4.0389 -4.0384 -4.0382 -4.0381 -2.0520 -2.0518 -2.0514 -2.0499 0.3006 0.3008 0.3039 0.3086 1.1686 1.1730 1.1878 1.1929 1.3666 1.3752 1.3922 1.4028 2.2627 2.2953 2.3092 2.3258 2.3740 2.4014 2.4889 2.5079 2.8743 2.8822 2.8824 2.9045 3.1817 3.1946 3.2048 3.2405 3.3712 3.3874 3.3881 3.4152 3.5618 3.5990 3.6035 3.6244 4.0294 4.0339 4.0928 4.1010 4.3362 4.3426 4.3519 4.3540 4.6737 4.6808 4.6839 4.6875 6.8434 6.8564 6.8855 6.9247 7.1964 7.2045 7.2720 7.3016 7.8236 7.8661 7.8775 7.8923 8.0201 8.0304 k = 0.0625 0.2413-0.0000 ( 12598 PWs) bands (ev): -9.6347 -9.6345 -9.6343 -9.6342 -9.2556 -9.2556 -9.2554 -9.2554 -8.5661 -8.5659 -8.5657 -8.5652 -7.0392 -7.0386 -7.0385 -7.0381 -4.0339 -4.0335 -4.0333 -4.0332 -2.0417 -2.0415 -2.0410 -2.0398 0.2913 0.2913 0.2938 0.2978 1.2197 1.2247 1.2349 1.2398 1.3831 1.3908 1.4087 1.4186 2.3080 2.3399 2.3428 2.3547 2.4179 2.4458 2.5339 2.5467 2.8796 2.8839 2.9137 2.9362 3.1666 3.1672 3.1956 3.2208 3.3491 3.3672 3.3755 3.3764 3.5951 3.6171 3.6199 3.6362 4.0083 4.0101 4.0611 4.0732 4.3300 4.3350 4.3463 4.3465 4.6807 4.6868 4.6893 4.6919 6.8482 6.8627 6.8905 6.9299 7.2027 7.2168 7.2735 7.2922 7.7772 7.8297 7.8387 7.8618 7.9784 7.9802 k = 0.0500 0.2413-0.0000 ( 12610 PWs) bands (ev): -9.6415 -9.6414 -9.6411 -9.6410 -9.2591 -9.2590 -9.2589 -9.2588 -8.5715 -8.5715 -8.5713 -8.5709 -7.0407 -7.0402 -7.0402 -7.0398 -4.0298 -4.0295 -4.0292 -4.0292 -2.0334 -2.0332 -2.0326 -2.0316 0.2835 0.2837 0.2854 0.2888 1.2567 1.2627 1.2676 1.2727 1.4073 1.4138 1.4323 1.4412 2.3369 2.3498 2.3552 2.3700 2.4835 2.5044 2.5845 2.5930 2.8695 2.8912 2.9337 2.9573 3.1404 3.1601 3.1929 3.2065 3.3259 3.3330 3.3515 3.3613 3.6261 3.6371 3.6381 3.6486 3.9812 3.9901 4.0238 4.0413 4.3278 4.3323 4.3414 4.3428 4.6863 4.6914 4.6935 4.6953 6.8489 6.8636 6.8909 6.9268 7.2163 7.2377 7.2867 7.2902 7.7325 7.7909 7.8028 7.8328 7.9400 7.9448 k = 0.0375 0.2413-0.0000 ( 12616 PWs) bands (ev): -9.6468 -9.6467 -9.6464 -9.6464 -9.2618 -9.2617 -9.2616 -9.2615 -8.5758 -8.5758 -8.5757 -8.5753 -7.0420 -7.0416 -7.0415 -7.0412 -4.0266 -4.0264 -4.0260 -4.0260 -2.0270 -2.0269 -2.0261 -2.0254 0.2774 0.2779 0.2788 0.2817 1.2795 1.2862 1.2867 1.2924 1.4375 1.4431 1.4595 1.4674 2.3500 2.3506 2.3512 2.3784 2.5494 2.5664 2.6406 2.6453 2.8497 2.8910 2.9341 2.9613 3.1232 3.1626 3.1968 3.2031 3.2954 3.3051 3.3388 3.3453 3.6521 3.6533 3.6549 3.6581 3.9557 3.9726 3.9861 4.0100 4.3280 4.3323 4.3380 4.3407 4.6907 4.6946 4.6966 4.6979 6.8474 6.8605 6.8893 6.9185 7.2343 7.2639 7.2921 7.3062 7.6933 7.7506 7.7734 7.8058 7.9108 7.9182 k = 0.0250 0.2413-0.0000 ( 12620 PWs) bands (ev): -9.6506 -9.6506 -9.6503 -9.6502 -9.2637 -9.2637 -9.2635 -9.2635 -8.5789 -8.5788 -8.5788 -8.5785 -7.0429 -7.0427 -7.0424 -7.0422 -4.0243 -4.0241 -4.0237 -4.0237 -2.0225 -2.0224 -2.0215 -2.0210 0.2731 0.2739 0.2740 0.2764 1.2920 1.2965 1.2991 1.3027 1.4672 1.4724 1.4836 1.4906 2.3459 2.3509 2.3521 2.3748 2.6124 2.6263 2.6950 2.6989 2.8203 2.8816 2.9122 2.9470 3.1208 3.1734 3.1965 3.2094 3.2751 3.2899 3.3269 3.3290 3.6632 3.6639 3.6690 3.6710 3.9351 3.9534 3.9600 3.9837 4.3293 4.3336 4.3358 4.3394 4.6939 4.6966 4.6989 4.6996 6.8456 6.8554 6.8880 6.9084 7.2535 7.2913 7.2940 7.3247 7.6644 7.7116 7.7537 7.7815 7.8921 7.8984 k = 0.0125 0.2413-0.0000 ( 12634 PWs) bands (ev): -9.6529 -9.6529 -9.6525 -9.6525 -9.2649 -9.2648 -9.2647 -9.2647 -8.5807 -8.5806 -8.5806 -8.5804 -7.0434 -7.0433 -7.0430 -7.0429 -4.0228 -4.0228 -4.0223 -4.0223 -2.0198 -2.0197 -2.0187 -2.0185 0.2706 0.2710 0.2717 0.2729 1.2985 1.3006 1.3056 1.3073 1.4898 1.4951 1.4986 1.5048 2.3437 2.3488 2.3526 2.3663 2.6710 2.6796 2.7261 2.7470 2.7918 2.8731 2.8741 2.9194 3.1326 3.1786 3.1891 3.2130 3.2809 3.2860 3.3122 3.3136 3.6669 3.6676 3.6787 3.6813 3.9224 3.9305 3.9540 3.9652 4.3309 4.3340 4.3352 4.3382 4.6961 4.6975 4.7002 4.7006 6.8452 6.8504 6.8887 6.8992 7.2711 7.2921 7.3156 7.3348 7.6511 7.6784 7.7455 7.7617 7.8830 7.8858 k = 0.0000 0.2413-0.0000 ( 12642 PWs) bands (ev): -9.6537 -9.6537 -9.6533 -9.6533 -9.2652 -9.2652 -9.2651 -9.2651 -8.5813 -8.5813 -8.5811 -8.5811 -7.0436 -7.0436 -7.0431 -7.0431 -4.0223 -4.0223 -4.0219 -4.0219 -2.0189 -2.0189 -2.0177 -2.0177 0.2699 0.2699 0.2714 0.2714 1.3011 1.3011 1.3080 1.3080 1.5009 1.5009 1.5066 1.5066 2.3449 2.3449 2.3579 2.3579 2.7186 2.7186 2.7230 2.7230 2.8247 2.8247 2.8889 2.8889 3.1539 3.1539 3.2046 3.2046 3.2961 3.2961 3.2975 3.2975 3.6682 3.6682 3.6834 3.6834 3.9202 3.9202 3.9555 3.9555 4.3325 4.3325 4.3368 4.3368 4.6973 4.6973 4.7008 4.7008 6.8467 6.8467 6.8924 6.8924 7.2845 7.2845 7.3316 7.3316 7.6564 7.6564 7.7488 7.7488 7.8812 7.8812 k = 0.0000 0.2413-0.0000 ( 12642 PWs) bands (ev): -9.6537 -9.6537 -9.6533 -9.6533 -9.2652 -9.2652 -9.2651 -9.2651 -8.5813 -8.5813 -8.5811 -8.5811 -7.0436 -7.0436 -7.0431 -7.0431 -4.0223 -4.0223 -4.0219 -4.0219 -2.0189 -2.0189 -2.0177 -2.0177 0.2699 0.2699 0.2714 0.2714 1.3011 1.3011 1.3080 1.3080 1.5009 1.5009 1.5066 1.5066 2.3449 2.3449 2.3579 2.3579 2.7186 2.7186 2.7230 2.7230 2.8247 2.8247 2.8889 2.8889 3.1539 3.1539 3.2046 3.2046 3.2961 3.2961 3.2975 3.2975 3.6682 3.6682 3.6834 3.6834 3.9202 3.9202 3.9555 3.9555 4.3325 4.3325 4.3368 4.3368 4.6973 4.6973 4.7008 4.7008 6.8467 6.8467 6.8924 6.8924 7.2845 7.2845 7.3316 7.3316 7.6564 7.6564 7.7488 7.7488 7.8812 7.8812 k = 0.0000 0.2292-0.0000 ( 12638 PWs) bands (ev): -9.6707 -9.6703 -9.6364 -9.6361 -9.2719 -9.2717 -9.2586 -9.2584 -8.5964 -8.5962 -8.5660 -8.5658 -7.0472 -7.0467 -7.0407 -7.0402 -4.0294 -4.0289 -4.0150 -4.0145 -2.0508 -2.0496 -1.9882 -1.9871 0.2701 0.2722 0.2734 0.2743 1.2965 1.3020 1.3058 1.3140 1.4916 1.4992 1.5114 1.5153 2.3228 2.3370 2.3682 2.3794 2.6910 2.6951 2.7395 2.7439 2.7999 2.8528 2.8776 2.9043 3.1471 3.1621 3.1991 3.2125 3.2960 3.2961 3.2977 3.3010 3.6663 3.6681 3.6748 3.6898 3.8903 3.9288 3.9494 3.9814 4.3200 4.3248 4.3403 4.3439 4.6957 4.6984 4.6998 4.7010 6.8180 6.8673 6.8743 6.9146 7.2549 7.3053 7.3154 7.3610 7.6402 7.6719 7.7352 7.7598 7.8756 7.8830 k = 0.0000 0.2172-0.0000 ( 12630 PWs) bands (ev): -9.6873 -9.6869 -9.6190 -9.6186 -9.2785 -9.2783 -9.2519 -9.2517 -8.6111 -8.6109 -8.5505 -8.5503 -7.0515 -7.0510 -7.0385 -7.0380 -4.0361 -4.0356 -4.0075 -4.0070 -2.0836 -2.0824 -1.9589 -1.9578 0.2740 0.2766 0.2805 0.2809 1.2923 1.2962 1.3100 1.3195 1.4840 1.4935 1.5228 1.5249 2.3023 2.3173 2.3915 2.3994 2.6598 2.6612 2.7527 2.7590 2.7795 2.8700 2.8817 2.9229 3.1422 3.1711 3.1957 3.2225 3.2963 3.2976 3.3008 3.3072 3.6623 3.6642 3.6658 3.6938 3.8605 3.9020 3.9770 4.0056 4.3026 4.3078 4.3437 4.3466 4.6935 4.6982 4.6989 4.7005 6.7888 6.8400 6.9001 6.9331 7.2275 7.2832 7.3468 7.3923 7.6242 7.6856 7.7198 7.7682 7.8761 7.8869 k = 0.0000 0.2051-0.0000 ( 12636 PWs) bands (ev): -9.7035 -9.7031 -9.6016 -9.6012 -9.2849 -9.2847 -9.2454 -9.2452 -8.6255 -8.6253 -8.5350 -8.5348 -7.0564 -7.0559 -7.0370 -7.0365 -4.0423 -4.0419 -3.9998 -3.9993 -2.1172 -2.1159 -1.9311 -1.9302 0.2815 0.2847 0.2911 0.2913 1.2886 1.2908 1.3135 1.3242 1.4782 1.4902 1.5348 1.5352 2.2832 2.2991 2.4123 2.4143 2.6260 2.6305 2.7593 2.7621 2.7708 2.8652 2.9086 2.9425 3.1395 3.1804 3.1942 3.2337 3.2976 3.3011 3.3064 3.3169 3.6515 3.6563 3.6614 3.6953 3.8320 3.8759 4.0023 4.0273 4.2803 4.2856 4.3432 4.3452 4.6909 4.6959 4.6988 4.6993 6.7597 6.8115 6.9234 6.9471 7.2033 7.2665 7.3782 7.4238 7.6100 7.6969 7.7033 7.7748 7.8819 7.8934 k = 0.0000 0.1930-0.0000 ( 12644 PWs) bands (ev): -9.7191 -9.7188 -9.5842 -9.5838 -9.2913 -9.2911 -9.2389 -9.2387 -8.6394 -8.6392 -8.5195 -8.5193 -7.0619 -7.0614 -7.0361 -7.0357 -4.0481 -4.0477 -3.9920 -3.9915 -2.1511 -2.1498 -1.9052 -1.9043 0.2925 0.2962 0.3046 0.3055 1.2857 1.2861 1.3158 1.3277 1.4748 1.4895 1.5457 1.5473 2.2652 2.2821 2.4177 2.4248 2.5970 2.6109 2.7474 2.7612 2.7797 2.8622 2.9323 2.9610 3.1391 3.1897 3.1938 3.2447 3.2996 3.3053 3.3167 3.3307 3.6369 3.6485 3.6549 3.6939 3.8055 3.8512 4.0244 4.0455 4.2530 4.2582 4.3398 4.3407 4.6878 4.6930 4.6972 4.6979 6.7311 6.7823 6.9430 6.9562 7.1835 7.2560 7.4089 7.4536 7.5992 7.6867 7.7056 7.7802 7.8919 7.9020 k = 0.0000 0.1810-0.0000 ( 12630 PWs) bands (ev): -9.7342 -9.7339 -9.5669 -9.5665 -9.2974 -9.2972 -9.2325 -9.2323 -8.6527 -8.6526 -8.5041 -8.5040 -7.0678 -7.0674 -7.0359 -7.0356 -4.0534 -4.0531 -3.9843 -3.9838 -2.1851 -2.1838 -1.8810 -1.8802 0.3067 0.3110 0.3214 0.3228 1.2822 1.2839 1.3167 1.3298 1.4738 1.4918 1.5563 1.5602 2.2471 2.2653 2.4041 2.4203 2.5847 2.6077 2.7349 2.7604 2.7871 2.8606 2.9522 2.9772 3.1406 3.1940 3.1989 3.2546 3.3019 3.3098 3.3327 3.3483 3.6206 3.6388 3.6468 3.6894 3.7823 3.8284 4.0423 4.0591 4.2210 4.2259 4.3341 4.3346 4.6845 4.6896 4.6941 4.6962 6.7035 6.7533 6.9581 6.9605 7.1695 7.2518 7.4386 7.4782 7.5946 7.6709 7.7122 7.7850 7.9050 7.9122 k = 0.0000 0.1689-0.0000 ( 12619 PWs) bands (ev): -9.7486 -9.7483 -9.5499 -9.5496 -9.3034 -9.3032 -9.2264 -9.2262 -8.6655 -8.6653 -8.4890 -8.4888 -7.0742 -7.0738 -7.0363 -7.0360 -4.0582 -4.0579 -3.9766 -3.9762 -2.2188 -2.2176 -1.8588 -1.8581 0.3240 0.3287 0.3410 0.3429 1.2792 1.2833 1.3159 1.3306 1.4754 1.4969 1.5668 1.5733 2.2273 2.2470 2.3763 2.3968 2.5917 2.6190 2.7257 2.7590 2.7936 2.8600 2.9686 2.9909 3.1434 3.1940 3.2087 3.2638 3.3042 3.3148 3.3534 3.3690 3.6026 3.6272 3.6375 3.6814 3.7631 3.8077 4.0550 4.0667 4.1846 4.1889 4.3268 4.3292 4.6809 4.6860 4.6898 4.6932 6.6774 6.7249 6.9606 6.9675 7.1625 7.2536 7.4667 7.4934 7.5999 7.6562 7.7172 7.7894 7.9205 7.9236 k = 0.0000 0.1568-0.0000 ( 12621 PWs) bands (ev): -9.7623 -9.7620 -9.5334 -9.5330 -9.3090 -9.3089 -9.2204 -9.2203 -8.6776 -8.6775 -8.4742 -8.4741 -7.0810 -7.0805 -7.0373 -7.0370 -4.0625 -4.0621 -3.9692 -3.9687 -2.2520 -2.2508 -1.8385 -1.8379 0.3440 0.3492 0.3630 0.3653 1.2771 1.2842 1.3137 1.3305 1.4790 1.5046 1.5771 1.5866 2.2037 2.2247 2.3426 2.3635 2.6086 2.6371 2.7223 2.7598 2.7995 2.8604 2.9822 3.0028 3.1468 3.1933 3.2194 3.2731 3.3066 3.3203 3.3768 3.3917 3.5834 3.6141 3.6275 3.6706 3.7477 3.7890 4.0608 4.0669 4.1446 4.1479 4.3204 4.3251 4.6774 4.6820 4.6842 4.6889 6.6530 6.6977 6.9576 6.9711 7.1631 7.2606 7.4926 7.4978 7.6158 7.6431 7.7209 7.7936 7.9358 7.9373 k = 0.0000 0.1448-0.0000 ( 12611 PWs) bands (ev): -9.7752 -9.7749 -9.5173 -9.5170 -9.3144 -9.3143 -9.2148 -9.2146 -8.6891 -8.6889 -8.4599 -8.4598 -7.0879 -7.0874 -7.0387 -7.0384 -4.0662 -4.0659 -3.9619 -3.9615 -2.2843 -2.2831 -1.8202 -1.8196 0.3664 0.3720 0.3868 0.3896 1.2760 1.2868 1.3103 1.3301 1.4843 1.5142 1.5871 1.6001 2.1743 2.1953 2.3098 2.3284 2.6256 2.6545 2.7287 2.7663 2.8055 2.8623 2.9938 3.0136 3.1503 3.1915 3.2315 3.2832 3.3088 3.3265 3.4010 3.4150 3.5633 3.5999 3.6173 3.6580 3.7354 3.7722 4.0571 4.0574 4.1029 4.1050 4.3164 4.3236 4.6738 4.6756 4.6793 4.6830 6.6306 6.6722 6.9527 6.9697 7.1705 7.2717 7.4952 7.5159 7.6324 7.6377 7.7239 7.7975 7.9487 7.9549 k = 0.0000 0.1327-0.0000 ( 12597 PWs) bands (ev): -9.7872 -9.7869 -9.5020 -9.5016 -9.3195 -9.3194 -9.2094 -9.2092 -8.6998 -8.6996 -8.4462 -8.4460 -7.0949 -7.0944 -7.0405 -7.0402 -4.0694 -4.0691 -3.9550 -3.9546 -2.3154 -2.3143 -1.8038 -1.8033 0.3909 0.3968 0.4120 0.4151 1.2757 1.2908 1.3068 1.3303 1.4905 1.5250 1.5969 1.6138 2.1384 2.1580 2.2802 2.2944 2.6378 2.6671 2.7469 2.7808 2.8119 2.8663 3.0041 3.0242 3.1540 3.1885 3.2444 3.2943 3.3111 3.3332 3.4244 3.4376 3.5426 3.5851 3.6072 3.6452 3.7248 3.7571 4.0313 4.0362 4.0667 4.0690 4.3158 4.3255 4.6663 4.6697 4.6758 4.6762 6.6105 6.6486 6.9470 6.9652 7.1832 7.2861 7.4895 7.5353 7.6248 7.6612 7.7261 7.8009 7.9621 7.9725 k = 0.0000 0.1207-0.0000 ( 12593 PWs) bands (ev): -9.7983 -9.7981 -9.4874 -9.4870 -9.3243 -9.3241 -9.2043 -9.2042 -8.7097 -8.7095 -8.4331 -8.4330 -7.1019 -7.1014 -7.0426 -7.0423 -4.0720 -4.0718 -3.9484 -3.9481 -2.3450 -2.3439 -1.7892 -1.7888 0.4170 0.4232 0.4378 0.4412 1.2756 1.2941 1.3058 1.3322 1.4970 1.5361 1.6065 1.6277 2.0973 2.1150 2.2521 2.2611 2.6468 2.6753 2.7742 2.8018 2.8201 2.8736 3.0137 3.0349 3.1583 3.1843 3.2575 3.3064 3.3137 3.3406 3.4453 3.4581 3.5217 3.5701 3.5977 3.6333 3.7153 3.7433 3.9879 3.9920 4.0390 4.0464 4.3188 4.3305 4.6548 4.6623 4.6710 4.6729 6.5926 6.6271 6.9412 6.9591 7.1994 7.3029 7.4826 7.5493 7.6219 7.6835 7.7279 7.8037 7.9756 7.9897 k = 0.0000 0.1086-0.0000 ( 12599 PWs) bands (ev): -9.8086 -9.8083 -9.4737 -9.4734 -9.3286 -9.3285 -9.1997 -9.1996 -8.7188 -8.7186 -8.4208 -8.4207 -7.1087 -7.1083 -7.0449 -7.0447 -4.0742 -4.0740 -3.9423 -3.9420 -2.3728 -2.3718 -1.7764 -1.7760 0.4442 0.4506 0.4636 0.4672 1.2753 1.2920 1.3125 1.3369 1.5033 1.5466 1.6165 1.6418 2.0534 2.0694 2.2225 2.2267 2.6560 2.6818 2.8043 2.8252 2.8327 2.8860 3.0229 3.0459 3.1636 3.1790 3.2691 3.3177 3.3191 3.3486 3.4623 3.4753 3.5008 3.5552 3.5894 3.6230 3.7063 3.7308 3.9376 3.9406 4.0117 4.0239 4.3251 4.3381 4.6415 4.6510 4.6681 4.6703 6.5771 6.6078 6.9359 6.9526 7.2180 7.3216 7.4755 7.5565 7.6249 7.7032 7.7294 7.8057 7.9890 8.0057 k = 0.0000 0.0965-0.0000 ( 12605 PWs) bands (ev): -9.8178 -9.8176 -9.4610 -9.4607 -9.3326 -9.3325 -9.1954 -9.1953 -8.7270 -8.7269 -8.4095 -8.4094 -7.1152 -7.1148 -7.0473 -7.0471 -4.0760 -4.0758 -3.9367 -3.9364 -2.3985 -2.3976 -1.7653 -1.7650 0.4720 0.4784 0.4886 0.4923 1.2744 1.2876 1.3245 1.3452 1.5089 1.5555 1.6271 1.6562 2.0092 2.0235 2.1896 2.1898 2.6669 2.6887 2.8284 2.8479 2.8567 2.9043 3.0321 3.0567 3.1708 3.1727 3.2769 3.3247 3.3316 3.3572 3.4739 3.4800 3.4880 3.5405 3.5830 3.6148 3.6981 3.7198 3.8859 3.8881 3.9822 3.9983 4.3337 4.3476 4.6265 4.6373 4.6663 4.6683 6.5639 6.5909 6.9313 6.9463 7.2382 7.3417 7.4684 7.5575 7.6329 7.7181 7.7319 7.8067 8.0020 8.0200 k = 0.0000 0.0845-0.0000 ( 12619 PWs) bands (ev): -9.8260 -9.8259 -9.4495 -9.4493 -9.3362 -9.3361 -9.1916 -9.1915 -8.7343 -8.7342 -8.3992 -8.3990 -7.1213 -7.1210 -7.0497 -7.0495 -4.0773 -4.0771 -3.9316 -3.9313 -2.4219 -2.4211 -1.7558 -1.7555 0.4996 0.5061 0.5122 0.5158 1.2729 1.2829 1.3398 1.3571 1.5137 1.5620 1.6387 1.6707 1.9664 1.9792 2.1503 2.1530 2.6790 2.6962 2.8476 2.8704 2.8907 2.9273 3.0414 3.0669 3.1653 3.1802 3.2794 3.3357 3.3431 3.3662 3.4600 3.4787 3.4944 3.5260 3.5792 3.6088 3.6911 3.7102 3.8356 3.8371 3.9511 3.9703 4.3442 4.3585 4.6101 4.6220 4.6649 4.6667 6.5530 6.5763 6.9275 6.9407 7.2592 7.3629 7.4613 7.5550 7.6430 7.7236 7.7398 7.8068 8.0141 8.0323 k = 0.0000 0.0724-0.0000 ( 12609 PWs) bands (ev): -9.8332 -9.8331 -9.4393 -9.4391 -9.3393 -9.3392 -9.1882 -9.1881 -8.7407 -8.7407 -8.3900 -8.3899 -7.1269 -7.1266 -7.0520 -7.0518 -4.0783 -4.0782 -3.9271 -3.9269 -2.4427 -2.4420 -1.7478 -1.7476 0.5265 0.5327 0.5338 0.5371 1.2709 1.2784 1.3576 1.3724 1.5177 1.5656 1.6516 1.6853 1.9267 1.9375 2.1087 2.1132 2.6910 2.7037 2.8694 2.8949 2.9272 2.9521 3.0510 3.0759 3.1569 3.1914 3.2774 3.3494 3.3516 3.3757 3.4404 3.4765 3.4946 3.5111 3.5778 3.6043 3.6859 3.7023 3.7891 3.7899 3.9195 3.9410 4.3559 4.3703 4.5927 4.6054 4.6640 4.6654 6.5441 6.5638 6.9246 6.9359 7.2806 7.3846 7.4542 7.5508 7.6532 7.7231 7.7500 7.8058 8.0247 8.0421 k = 0.0000 0.0603-0.0000 ( 12605 PWs) bands (ev): -9.8393 -9.8392 -9.4305 -9.4303 -9.3420 -9.3419 -9.1853 -9.1852 -8.7462 -8.7461 -8.3820 -8.3819 -7.1318 -7.1316 -7.0541 -7.0540 -4.0791 -4.0790 -3.9233 -3.9231 -2.4606 -2.4601 -1.7412 -1.7410 0.5517 0.5527 0.5558 0.5575 1.2688 1.2744 1.3771 1.3898 1.5213 1.5665 1.6656 1.6999 1.8913 1.8994 2.0662 2.0716 2.7014 2.7104 2.8961 2.9232 2.9639 2.9763 3.0611 3.0839 3.1476 3.2021 3.2729 3.3539 3.3641 3.3858 3.4212 3.4688 3.4892 3.4961 3.5782 3.6004 3.6832 3.6958 3.7490 3.7494 3.8890 3.9117 4.3685 4.3827 4.5748 4.5879 4.6634 4.6646 6.5371 6.5533 6.9224 6.9318 7.3020 7.4064 7.4468 7.5457 7.6626 7.7204 7.7587 7.8037 8.0336 8.0493 k = 0.0000 0.0483-0.0000 ( 12617 PWs) bands (ev): -9.8444 -9.8443 -9.4231 -9.4229 -9.3442 -9.3442 -9.1829 -9.1828 -8.7507 -8.7506 -8.3754 -8.3753 -7.1360 -7.1358 -7.0559 -7.0559 -4.0796 -4.0795 -3.9201 -3.9199 -2.4756 -2.4751 -1.7359 -1.7358 0.5687 0.5711 0.5746 0.5795 1.2669 1.2710 1.3969 1.4077 1.5254 1.5656 1.6805 1.7143 1.8611 1.8656 2.0247 2.0301 2.7096 2.7157 2.9268 2.9547 2.9983 2.9998 3.0722 3.0922 3.1375 3.2076 3.2679 3.3462 3.3782 3.3957 3.4028 3.4573 3.4806 3.4829 3.5793 3.5965 3.6824 3.6895 3.7163 3.7194 3.8610 3.8835 4.3815 4.3953 4.5572 4.5703 4.6631 4.6640 6.5320 6.5448 6.9210 6.9285 7.3229 7.4275 7.4392 7.5397 7.6708 7.7166 7.7658 7.8008 8.0407 8.0540 k = 0.0000 0.0362-0.0000 ( 12611 PWs) bands (ev): -9.8483 -9.8482 -9.4173 -9.4171 -9.3459 -9.3459 -9.1810 -9.1809 -8.7542 -8.7542 -8.3701 -8.3701 -7.1393 -7.1392 -7.0575 -7.0574 -4.0799 -4.0799 -3.9175 -3.9174 -2.4874 -2.4871 -1.7318 -1.7318 0.5815 0.5834 0.5937 0.5978 1.2653 1.2681 1.4151 1.4240 1.5309 1.5638 1.6960 1.7279 1.8365 1.8366 1.9865 1.9911 2.7155 2.7194 2.9591 2.9874 3.0163 3.0344 3.0850 3.1036 3.1273 3.2032 3.2614 3.3256 3.3848 3.3943 3.4042 3.4442 3.4724 3.4737 3.5805 3.5930 3.6798 3.6806 3.6947 3.7028 3.8374 3.8578 4.3946 4.4073 4.5408 4.5531 4.6629 4.6635 6.5284 6.5380 6.9203 6.9258 7.3429 7.4292 7.4492 7.5326 7.6779 7.7118 7.7716 7.7973 8.0461 8.0564 k = 0.0000 0.0241-0.0000 ( 12625 PWs) bands (ev): -9.8511 -9.8511 -9.4130 -9.4130 -9.3472 -9.3472 -9.1796 -9.1796 -8.7567 -8.7567 -8.3663 -8.3663 -7.1418 -7.1417 -7.0586 -7.0586 -4.0801 -4.0801 -3.9157 -3.9156 -2.4959 -2.4957 -1.7290 -1.7289 0.5907 0.5921 0.6085 0.6114 1.2642 1.2660 1.4296 1.4362 1.5382 1.5617 1.7119 1.7394 1.8135 1.8177 1.9545 1.9579 2.7195 2.7218 2.9886 3.0175 3.0282 3.0644 3.1005 3.1207 3.1214 3.1901 3.2463 3.2934 3.3812 3.4036 3.4096 3.4315 3.4669 3.4685 3.5820 3.5901 3.6682 3.6700 3.6903 3.6970 3.8203 3.8360 4.4072 4.4176 4.5271 4.5374 4.6629 4.6633 6.5265 6.5328 6.9200 6.9237 7.3616 7.4192 7.4682 7.5240 7.6842 7.7065 7.7765 7.7934 8.0502 8.0572 k = 0.0000 0.0121-0.0000 ( 12625 PWs) bands (ev): -9.8528 -9.8528 -9.4105 -9.4104 -9.3479 -9.3479 -9.1788 -9.1788 -8.7583 -8.7582 -8.3640 -8.3640 -7.1433 -7.1432 -7.0593 -7.0593 -4.0803 -4.0802 -3.9146 -3.9146 -2.5011 -2.5010 -1.7273 -1.7273 0.5965 0.5972 0.6181 0.6195 1.2636 1.2645 1.4393 1.4429 1.5466 1.5588 1.7273 1.7452 1.7990 1.8045 1.9328 1.9346 2.7219 2.7230 3.0112 3.0298 3.0446 3.0751 3.1205 3.1309 3.1422 3.1737 3.2238 3.2556 3.3872 3.4086 3.4115 3.4215 3.4645 3.4657 3.5837 3.5878 3.6604 3.6609 3.6915 3.6947 3.8112 3.8199 4.4177 4.4240 4.5186 4.5248 4.6629 4.6631 6.5259 6.5291 6.9203 6.9222 7.3787 7.4075 7.4855 7.5134 7.6899 7.7010 7.7809 7.7893 8.0532 8.0568 k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -9.8534 -9.8534 -9.4096 -9.4096 -9.3482 -9.3482 -9.1785 -9.1785 -8.7588 -8.7588 -8.3632 -8.3632 -7.1437 -7.1437 -7.0595 -7.0595 -4.0803 -4.0803 -3.9142 -3.9142 -2.5027 -2.5027 -1.7267 -1.7267 0.5986 0.5986 0.6218 0.6218 1.2638 1.2638 1.4438 1.4438 1.5540 1.5540 1.7402 1.7402 1.7971 1.7971 1.9255 1.9255 2.7230 2.7230 3.0248 3.0248 3.0640 3.0640 3.1401 3.1401 3.1570 3.1570 3.2232 3.2232 3.3986 3.3986 3.4168 3.4168 3.4644 3.4644 3.5857 3.5857 3.6577 3.6577 3.6931 3.6931 3.8111 3.8111 4.4241 4.4241 4.5177 4.5177 4.6630 4.6630 6.5268 6.5268 6.9210 6.9210 7.3941 7.3941 7.5007 7.5007 7.6954 7.6954 7.7851 7.7851 8.0554 8.0554 k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -9.8534 -9.8534 -9.4096 -9.4096 -9.3482 -9.3482 -9.1785 -9.1785 -8.7588 -8.7588 -8.3632 -8.3632 -7.1437 -7.1437 -7.0595 -7.0595 -4.0803 -4.0803 -3.9142 -3.9142 -2.5027 -2.5027 -1.7267 -1.7267 0.5986 0.5986 0.6218 0.6218 1.2638 1.2638 1.4438 1.4438 1.5540 1.5540 1.7402 1.7402 1.7971 1.7971 1.9255 1.9255 2.7230 2.7230 3.0248 3.0248 3.0640 3.0640 3.1401 3.1401 3.1570 3.1570 3.2232 3.2232 3.3986 3.3986 3.4168 3.4168 3.4644 3.4644 3.5857 3.5857 3.6577 3.6577 3.6931 3.6931 3.8111 3.8111 4.4241 4.4241 4.5177 4.5177 4.6630 4.6630 6.5268 6.5268 6.9210 6.9210 7.3941 7.3941 7.5007 7.5007 7.6954 7.6954 7.7851 7.7851 8.0554 8.0554 k = 0.0000 0.0000 0.0120 ( 12635 PWs) bands (ev): -9.8527 -9.8527 -9.4107 -9.4106 -9.3486 -9.3486 -9.1790 -9.1790 -8.7570 -8.7569 -8.3636 -8.3636 -7.1436 -7.1435 -7.0597 -7.0597 -4.0803 -4.0803 -3.9152 -3.9151 -2.5007 -2.5006 -1.7279 -1.7279 0.5961 0.5964 0.6207 0.6210 1.2642 1.2643 1.4439 1.4456 1.5558 1.5588 1.7387 1.7433 1.7967 1.7976 1.9266 1.9268 2.7211 2.7220 3.0187 3.0274 3.0565 3.0695 3.1341 3.1370 3.1551 3.1621 3.2179 3.2311 3.3963 3.3974 3.4161 3.4187 3.4568 3.4700 3.5850 3.5862 3.6484 3.6668 3.6927 3.6930 3.8131 3.8205 4.4198 4.4248 4.5192 4.5199 4.6630 4.6657 6.5247 6.5274 6.9195 6.9226 7.3752 7.4096 7.4770 7.5162 7.6882 7.7042 7.7725 7.7997 8.0528 8.0580 k = 0.0000 0.0000 0.0239 ( 12645 PWs) bands (ev): -9.8507 -9.8507 -9.4139 -9.4137 -9.3498 -9.3497 -9.1804 -9.1804 -8.7519 -8.7517 -8.3648 -8.3648 -7.1430 -7.1430 -7.0603 -7.0602 -4.0805 -4.0805 -3.9179 -3.9177 -2.4945 -2.4942 -1.7315 -1.7314 0.5889 0.5896 0.6176 0.6183 1.2656 1.2659 1.4459 1.4493 1.5639 1.5698 1.7392 1.7481 1.7963 1.7985 1.9301 1.9305 2.7162 2.7182 3.0101 3.0257 3.0472 3.0726 3.1224 3.1277 3.1542 3.1667 3.2153 3.2416 3.3915 3.3920 3.4166 3.4210 3.4499 3.4715 3.5848 3.5859 3.6397 3.6739 3.6927 3.6934 3.8263 3.8391 4.4127 4.4220 4.5242 4.5256 4.6657 4.6705 6.5212 6.5265 6.9181 6.9242 7.3529 7.4221 7.4464 7.5240 7.6816 7.7133 7.7628 7.8160 8.0499 8.0606 k = 0.0000 0.0000 0.0359 ( 12649 PWs) bands (ev): -9.8474 -9.8473 -9.4196 -9.4193 -9.3510 -9.3508 -9.1827 -9.1827 -8.7435 -8.7432 -8.3669 -8.3667 -7.1422 -7.1421 -7.0612 -7.0611 -4.0808 -4.0807 -3.9223 -3.9220 -2.4842 -2.4838 -1.7375 -1.7373 0.5778 0.5789 0.6127 0.6136 1.2681 1.2686 1.4492 1.4544 1.5768 1.5853 1.7432 1.7550 1.7960 1.8001 1.9360 1.9365 2.7082 2.7114 3.0001 3.0197 3.0354 3.0728 3.1086 3.1143 3.1522 3.1679 3.2166 3.2546 3.3828 3.3857 3.4177 3.4228 3.4459 3.4684 3.5844 3.5852 3.6320 3.6758 3.6936 3.6977 3.8487 3.8646 4.4042 4.4168 4.5326 4.5348 4.6702 4.6765 6.5165 6.5241 6.9167 6.9256 7.3276 7.4095 7.4328 7.5258 7.6745 7.7175 7.7598 7.8335 8.0461 8.0631 k = 0.0000 0.0000 0.0478 ( 12637 PWs) bands (ev): -9.8428 -9.8427 -9.4282 -9.4278 -9.3515 -9.3514 -9.1859 -9.1859 -8.7322 -8.7318 -8.3697 -8.3695 -7.1409 -7.1408 -7.0625 -7.0624 -4.0811 -4.0810 -3.9282 -3.9279 -2.4701 -2.4696 -1.7459 -1.7457 0.5638 0.5652 0.6060 0.6072 1.2717 1.2725 1.4533 1.4602 1.5926 1.6024 1.7527 1.7643 1.7959 1.8038 1.9446 1.9449 2.6970 2.7015 2.9895 3.0098 3.0208 3.0694 3.0945 3.0981 3.1489 3.1645 3.2222 3.2698 3.3715 3.3798 3.4190 3.4237 3.4446 3.4616 3.5813 3.5856 3.6254 3.6734 3.6951 3.7056 3.8777 3.8952 4.3958 4.4106 4.5440 4.5470 4.6756 4.6826 6.5108 6.5202 6.9151 6.9263 7.3000 7.3701 7.4401 7.5239 7.6663 7.7121 7.7660 7.8518 8.0398 8.0650 k = 0.0000 0.0000 0.0598 ( 12619 PWs) bands (ev): -9.8369 -9.8367 -9.4398 -9.4393 -9.3511 -9.3509 -9.1900 -9.1899 -8.7184 -8.7180 -8.3734 -8.3732 -7.1394 -7.1392 -7.0641 -7.0639 -4.0813 -4.0813 -3.9355 -3.9351 -2.4522 -2.4516 -1.7567 -1.7565 0.5478 0.5497 0.5977 0.5991 1.2765 1.2776 1.4575 1.4663 1.6085 1.6173 1.7694 1.7741 1.7975 1.8128 1.9556 1.9559 2.6823 2.6882 2.9789 2.9954 3.0052 3.0604 3.0804 3.0818 3.1446 3.1576 3.2309 3.2864 3.3600 3.3747 3.4204 3.4241 3.4450 3.4527 3.5764 3.5849 3.6193 3.6696 3.6967 3.7140 3.9112 3.9295 4.3890 4.4050 4.5579 4.5618 4.6807 4.6878 6.5045 6.5150 6.9131 6.9256 7.2718 7.3288 7.4451 7.5201 7.6571 7.7004 7.7758 7.8703 8.0291 8.0606 k = 0.0000 0.0000 0.0717 ( 12593 PWs) bands (ev): -9.8297 -9.8295 -9.4540 -9.4535 -9.3494 -9.3492 -9.1948 -9.1947 -8.7027 -8.7022 -8.3779 -8.3777 -7.1375 -7.1373 -7.0660 -7.0658 -4.0815 -4.0814 -3.9439 -3.9436 -2.4310 -2.4302 -1.7701 -1.7698 0.5311 0.5332 0.5879 0.5896 1.2824 1.2838 1.4615 1.4723 1.6223 1.6274 1.7803 1.7837 1.8114 1.8322 1.9689 1.9701 2.6645 2.6715 2.9689 2.9752 2.9912 3.0424 3.0661 3.0692 3.1399 3.1490 3.2411 3.3033 3.3498 3.3713 3.4219 3.4243 3.4432 3.4460 3.5698 3.5821 3.6135 3.6656 3.6980 3.7212 3.9480 3.9665 4.3849 4.4012 4.5737 4.5784 4.6848 4.6914 6.4978 6.5090 6.9098 6.9219 7.2452 7.2876 7.4473 7.5155 7.6478 7.6860 7.7839 7.8884 8.0133 8.0469 k = 0.0000 0.0000 0.0837 ( 12585 PWs) bands (ev): -9.8212 -9.8209 -9.4704 -9.4699 -9.3466 -9.3464 -9.2004 -9.2003 -8.6853 -8.6848 -8.3834 -8.3832 -7.1353 -7.1351 -7.0683 -7.0681 -4.0815 -4.0814 -3.9533 -3.9529 -2.4066 -2.4058 -1.7859 -1.7856 0.5145 0.5169 0.5770 0.5788 1.2895 1.2913 1.4647 1.4776 1.6332 1.6334 1.7825 1.7854 1.8467 1.8617 1.9846 1.9877 2.6438 2.6514 2.9513 2.9598 2.9780 3.0171 3.0517 3.0592 3.1354 3.1401 3.2513 3.3184 3.3417 3.3704 3.4237 3.4246 3.4342 3.4468 3.5613 3.5763 3.6081 3.6617 3.6983 3.7265 3.9869 4.0052 4.3841 4.4000 4.5908 4.5962 4.6873 4.6932 6.4914 6.5027 6.9039 6.9134 7.2230 7.2488 7.4462 7.5107 7.6395 7.6702 7.7880 7.9054 7.9938 8.0341 k = 0.0000 0.0000 0.0956 ( 12579 PWs) bands (ev): -9.8114 -9.8112 -9.4886 -9.4880 -9.3428 -9.3426 -9.2066 -9.2065 -8.6667 -8.6662 -8.3899 -8.3896 -7.1329 -7.1326 -7.0708 -7.0706 -4.0811 -4.0810 -3.9634 -3.9629 -2.3794 -2.3785 -1.8043 -1.8039 0.4988 0.5015 0.5650 0.5670 1.2977 1.2999 1.4667 1.4815 1.6366 1.6423 1.7823 1.7834 1.8914 1.8974 2.0032 2.0093 2.6209 2.6281 2.9247 2.9516 2.9657 2.9877 3.0372 3.0492 3.1316 3.1321 3.2601 3.3287 3.3360 3.3735 3.4242 3.4247 3.4287 3.4472 3.5515 3.5677 3.6032 3.6585 3.6975 3.7297 4.0272 4.0450 4.3867 4.4016 4.6083 4.6143 4.6880 4.6929 6.4860 6.4966 6.8938 6.8980 7.2080 7.2150 7.4411 7.5058 7.6336 7.6538 7.7864 7.9202 7.9732 8.0246 k = 0.0000 0.0000 0.1076 ( 12581 PWs) bands (ev): -9.8005 -9.8002 -9.5081 -9.5075 -9.3381 -9.3378 -9.2134 -9.2133 -8.6474 -8.6468 -8.3973 -8.3970 -7.1301 -7.1298 -7.0736 -7.0733 -4.0804 -4.0803 -3.9739 -3.9734 -2.3498 -2.3488 -1.8252 -1.8247 0.4847 0.4876 0.5523 0.5545 1.3068 1.3096 1.4670 1.4833 1.6397 1.6500 1.7800 1.7806 1.9351 1.9397 2.0253 2.0356 2.5967 2.6024 2.8952 2.9418 2.9548 2.9581 3.0229 3.0388 3.1257 3.1292 3.2661 3.3321 3.3328 3.3799 3.4181 3.4238 3.4332 3.4476 3.5414 3.5576 3.5986 3.6561 3.6951 3.7308 4.0684 4.0853 4.3921 4.4056 4.6254 4.6318 4.6871 4.6907 6.4822 6.4918 6.8748 6.8774 7.1890 7.2019 7.4315 7.5003 7.6312 7.6378 7.7790 7.9266 7.9583 8.0190 k = 0.0000 0.0000 0.1195 ( 12601 PWs) bands (ev): -9.7883 -9.7880 -9.5285 -9.5278 -9.3326 -9.3323 -9.2208 -9.2206 -8.6275 -8.6269 -8.4058 -8.4054 -7.1272 -7.1269 -7.0766 -7.0763 -4.0792 -4.0791 -3.9846 -3.9841 -2.3180 -2.3170 -1.8485 -1.8480 0.4727 0.4757 0.5391 0.5415 1.3169 1.3202 1.4653 1.4824 1.6439 1.6577 1.7756 1.7777 1.9715 1.9873 2.0522 2.0671 2.5728 2.5755 2.8626 2.9143 2.9450 2.9458 3.0090 3.0279 3.1215 3.1287 3.2678 3.3292 3.3324 3.3861 3.4121 3.4202 3.4420 3.4489 3.5321 3.5483 3.5939 3.6549 3.6912 3.7300 4.1097 4.1257 4.3990 4.4110 4.6414 4.6480 4.6849 4.6870 6.4809 6.4889 6.8443 6.8535 7.1727 7.2049 7.4174 7.4937 7.6232 7.6329 7.7663 7.9123 7.9622 8.0173 k = 0.0000 0.0000 0.1315 ( 12603 PWs) bands (ev): -9.7750 -9.7747 -9.5494 -9.5488 -9.3264 -9.3262 -9.2286 -9.2284 -8.6075 -8.6069 -8.4154 -8.4150 -7.1240 -7.1237 -7.0798 -7.0795 -4.0774 -4.0772 -3.9953 -3.9949 -2.2846 -2.2836 -1.8742 -1.8736 0.4631 0.4662 0.5258 0.5283 1.3278 1.3317 1.4615 1.4787 1.6499 1.6659 1.7700 1.7737 2.0051 2.0293 2.0863 2.1022 2.5490 2.5511 2.8268 2.8766 2.9388 2.9411 2.9958 3.0169 3.1199 3.1307 3.2645 3.3211 3.3344 3.3900 3.4069 3.4131 3.4521 3.4537 3.5247 3.5420 3.5891 3.6552 3.6857 3.7274 4.1507 4.1657 4.4060 4.4164 4.6554 4.6620 4.6820 4.6826 6.4828 6.4888 6.8082 6.8223 7.1664 7.2157 7.3994 7.4847 7.6113 7.6387 7.7495 7.8888 7.9735 8.0188 k = 0.0000 0.0000 0.1434 ( 12605 PWs) bands (ev): -9.7606 -9.7602 -9.5706 -9.5700 -9.3197 -9.3194 -9.2367 -9.2365 -8.5876 -8.5870 -8.4260 -8.4256 -7.1206 -7.1203 -7.0833 -7.0829 -4.0750 -4.0748 -4.0059 -4.0054 -2.2497 -2.2487 -1.9021 -1.9014 0.4561 0.4593 0.5126 0.5153 1.3394 1.3441 1.4555 1.4721 1.6580 1.6750 1.7634 1.7686 2.0360 2.0641 2.1265 2.1370 2.5252 2.5343 2.7880 2.8361 2.9339 2.9396 2.9834 3.0058 3.1211 3.1354 3.2559 3.3080 3.3383 3.3916 3.4024 3.4038 3.4571 3.4664 3.5191 3.5399 3.5848 3.6570 3.6784 3.7232 4.1910 4.2047 4.4111 4.4201 4.6668 4.6732 4.6784 4.6795 6.4887 6.4924 6.7688 6.7855 7.1688 7.2325 7.3783 7.4723 7.6036 7.6484 7.7300 7.8633 7.9853 8.0225 k = 0.0000 0.0000 0.1554 ( 12610 PWs) bands (ev): -9.7451 -9.7447 -9.5919 -9.5913 -9.3124 -9.3122 -9.2451 -9.2449 -8.5679 -8.5673 -8.4377 -8.4373 -7.1171 -7.1167 -7.0868 -7.0865 -4.0718 -4.0715 -4.0161 -4.0156 -2.2139 -2.2128 -1.9320 -1.9312 0.4517 0.4551 0.4999 0.5028 1.3516 1.3571 1.4476 1.4632 1.6677 1.6849 1.7556 1.7625 2.0652 2.0944 2.1656 2.1662 2.5076 2.5261 2.7465 2.7935 2.9311 2.9400 2.9719 2.9948 3.1252 3.1432 3.2429 3.2906 3.3430 3.3919 3.3938 3.3988 3.4634 3.4785 3.5145 3.5409 3.5826 3.6604 3.6695 3.7178 4.2298 4.2424 4.4125 4.4204 4.6746 4.6761 4.6770 4.6823 6.4992 6.5003 6.7281 6.7454 7.1782 7.2537 7.3550 7.4558 7.6008 7.6614 7.7093 7.8374 7.9965 8.0275 k = 0.0000 0.0000 0.1673 ( 12612 PWs) bands (ev): -9.7287 -9.7282 -9.6130 -9.6124 -9.3047 -9.3045 -9.2537 -9.2535 -8.5487 -8.5481 -8.4506 -8.4501 -7.1134 -7.1131 -7.0905 -7.0902 -4.0678 -4.0675 -4.0257 -4.0253 -2.1774 -2.1763 -1.9637 -1.9629 0.4501 0.4535 0.4880 0.4910 1.3642 1.3706 1.4380 1.4523 1.6788 1.6955 1.7467 1.7552 2.0932 2.1228 2.1848 2.1956 2.5011 2.5301 2.7029 2.7494 2.9303 2.9420 2.9615 2.9843 3.1325 3.1540 3.2265 3.2700 3.3480 3.3846 3.3917 3.3961 3.4705 3.4898 3.5101 3.5409 3.5852 3.6590 3.6655 3.7112 4.2668 4.2781 4.4086 4.4159 4.6741 4.6772 4.6807 4.6872 6.5130 6.5147 6.6878 6.7044 7.1928 7.2781 7.3304 7.4355 7.6030 7.6772 7.6885 7.8115 8.0069 8.0333 k = 0.0000 0.0000 0.1793 ( 12612 PWs) bands (ev): -9.7112 -9.7108 -9.6338 -9.6332 -9.2967 -9.2964 -9.2624 -9.2622 -8.5302 -8.5296 -8.4645 -8.4640 -7.1097 -7.1093 -7.0943 -7.0939 -4.0629 -4.0626 -4.0348 -4.0343 -2.1406 -2.1395 -1.9971 -1.9962 0.4511 0.4544 0.4772 0.4803 1.3771 1.3846 1.4271 1.4399 1.6906 1.7063 1.7369 1.7470 2.1201 2.1499 2.1899 2.2106 2.5099 2.5481 2.6580 2.7044 2.9312 2.9457 2.9524 2.9744 3.1429 3.1679 3.2082 3.2478 3.3531 3.3766 3.3914 3.3941 3.4780 3.5006 3.5051 3.5370 3.5939 3.6471 3.6719 3.7038 4.3013 4.3114 4.3984 4.4056 4.6751 4.6791 4.6830 4.6891 6.5307 6.5353 6.6491 6.6642 7.2113 7.3044 7.3053 7.4121 7.6096 7.6685 7.6955 7.7861 8.0163 8.0395 k = 0.0000 0.0000 0.1912 ( 12598 PWs) bands (ev): -9.6930 -9.6925 -9.6541 -9.6536 -9.2883 -9.2881 -9.2711 -9.2709 -8.5124 -8.5118 -8.4794 -8.4789 -7.1059 -7.1055 -7.0981 -7.0978 -4.0571 -4.0568 -4.0430 -4.0426 -2.1038 -2.1028 -2.0317 -2.0308 0.4545 0.4578 0.4678 0.4710 1.3900 1.3987 1.4153 1.4267 1.7027 1.7172 1.7261 1.7377 2.1450 2.1749 2.1828 2.2094 2.5346 2.5782 2.6132 2.6596 2.9340 2.9447 2.9509 2.9654 3.1561 3.1848 3.1896 3.2254 3.3583 3.3698 3.3914 3.3927 3.4855 3.4993 3.5110 3.5298 3.6063 3.6340 3.6794 3.6957 4.3325 4.3415 4.3819 4.3894 4.6776 4.6823 4.6826 4.6884 6.5536 6.5610 6.6133 6.6262 7.2325 7.2801 7.3318 7.3864 7.6201 7.6500 7.7159 7.7615 8.0248 8.0390 k = 0.0000 0.0000 0.2032 ( 12602 PWs) bands (ev): -9.6739 -9.6739 -9.6734 -9.6734 -9.2798 -9.2798 -9.2796 -9.2796 -8.4954 -8.4954 -8.4949 -8.4949 -7.1020 -7.1020 -7.1016 -7.1016 -4.0505 -4.0505 -4.0501 -4.0501 -2.0674 -2.0674 -2.0664 -2.0664 0.4602 0.4602 0.4634 0.4634 1.4029 1.4029 1.4128 1.4128 1.7146 1.7146 1.7278 1.7278 2.1667 2.1667 2.1959 2.1959 2.5708 2.5708 2.6166 2.6166 2.9385 2.9385 2.9575 2.9575 3.1719 3.1719 3.2041 3.2041 3.3638 3.3638 3.3918 3.3918 3.4927 3.4927 3.5209 3.5209 3.6201 3.6201 3.6875 3.6875 4.3597 4.3597 4.3678 4.3678 4.6805 4.6805 4.6857 4.6857 6.5812 6.5812 6.5915 6.5915 7.2557 7.2557 7.3594 7.3594 7.6337 7.6337 7.7379 7.7379 8.0324 8.0324 k = 0.0000 0.0000 0.2032 ( 12602 PWs) bands (ev): -9.6739 -9.6739 -9.6734 -9.6734 -9.2798 -9.2798 -9.2796 -9.2796 -8.4954 -8.4954 -8.4949 -8.4949 -7.1020 -7.1020 -7.1016 -7.1016 -4.0505 -4.0505 -4.0501 -4.0501 -2.0674 -2.0674 -2.0664 -2.0664 0.4602 0.4602 0.4634 0.4634 1.4029 1.4029 1.4128 1.4128 1.7146 1.7146 1.7278 1.7278 2.1667 2.1667 2.1959 2.1959 2.5708 2.5708 2.6166 2.6166 2.9385 2.9385 2.9575 2.9575 3.1719 3.1719 3.2041 3.2041 3.3638 3.3638 3.3918 3.3918 3.4927 3.4927 3.5209 3.5209 3.6201 3.6201 3.6875 3.6875 4.3597 4.3597 4.3678 4.3678 4.6805 4.6805 4.6857 4.6857 6.5812 6.5812 6.5915 6.5915 7.2557 7.2557 7.3594 7.3594 7.6337 7.6337 7.7379 7.7379 8.0324 8.0324 k = 0.0125-0.0000 0.2032 ( 12590 PWs) bands (ev): -9.6732 -9.6731 -9.6727 -9.6725 -9.2795 -9.2793 -9.2792 -9.2791 -8.4950 -8.4949 -8.4943 -8.4943 -7.1018 -7.1017 -7.1014 -7.1013 -4.0509 -4.0509 -4.0506 -4.0505 -2.0682 -2.0681 -2.0673 -2.0670 0.4580 0.4617 0.4626 0.4654 1.3927 1.3965 1.4008 1.4073 1.7086 1.7151 1.7181 1.7293 2.1703 2.1789 2.2023 2.2032 2.5642 2.5715 2.6107 2.6160 2.9240 2.9390 2.9390 2.9603 3.1655 3.1832 3.1946 3.2192 3.3507 3.3776 3.3833 3.3992 3.4885 3.5038 3.5189 3.5260 3.6075 3.6304 3.6797 3.6900 4.3543 4.3640 4.3643 4.3706 4.6800 4.6809 4.6856 4.6858 6.5853 6.5880 6.5965 6.5973 7.2363 7.2730 7.3303 7.3832 7.6158 7.6652 7.7229 7.7628 8.0322 8.0377 k = 0.0250-0.0000 0.2032 ( 12594 PWs) bands (ev): -9.6710 -9.6707 -9.6704 -9.6702 -9.2783 -9.2780 -9.2779 -9.2777 -8.4934 -8.4932 -8.4928 -8.4928 -7.1011 -7.1008 -7.1006 -7.1005 -4.0522 -4.0522 -4.0519 -4.0517 -2.0705 -2.0704 -2.0698 -2.0692 0.4559 0.4602 0.4652 0.4676 1.3666 1.3722 1.3747 1.3853 1.6979 1.7023 1.7101 1.7229 2.1882 2.2039 2.2200 2.2228 2.5518 2.5670 2.5979 2.6092 2.8979 2.9095 2.9270 2.9479 3.1628 3.1907 3.1956 3.2365 3.3412 3.3746 3.3902 3.4054 3.4909 3.5194 3.5215 3.5288 3.5925 3.6421 3.6673 3.6887 4.3481 4.3592 4.3677 4.3723 4.6794 4.6810 4.6853 4.6854 6.5996 6.6058 6.6125 6.6134 7.2168 7.2866 7.3007 7.3950 7.6175 7.7059 7.7187 7.7962 8.0375 8.0465 k = 0.0375-0.0000 0.2032 ( 12578 PWs) bands (ev): -9.6672 -9.6668 -9.6667 -9.6663 -9.2762 -9.2760 -9.2757 -9.2755 -8.4909 -8.4905 -8.4901 -8.4901 -7.0998 -7.0994 -7.0993 -7.0991 -4.0542 -4.0542 -4.0539 -4.0537 -2.0744 -2.0743 -2.0738 -2.0730 0.4539 0.4588 0.4680 0.4702 1.3266 1.3297 1.3395 1.3494 1.6829 1.6833 1.7003 1.7102 2.2149 2.2359 2.2436 2.2501 2.5342 2.5589 2.5782 2.5976 2.8652 2.8762 2.9062 2.9250 3.1611 3.1902 3.2030 3.2518 3.3376 3.3663 3.4009 3.4109 3.4979 3.5232 3.5233 3.5338 3.5815 3.6527 3.6594 3.6878 4.3413 4.3537 4.3699 4.3725 4.6786 4.6805 4.6844 4.6848 6.6230 6.6344 6.6387 6.6392 7.1985 7.2734 7.2953 7.3924 7.6411 7.7264 7.7537 7.8372 8.0484 8.0517 k = 0.0500-0.0000 0.2032 ( 12586 PWs) bands (ev): -9.6619 -9.6614 -9.6614 -9.6608 -9.2733 -9.2731 -9.2726 -9.2724 -8.4873 -8.4868 -8.4865 -8.4865 -7.0981 -7.0976 -7.0975 -7.0972 -4.0570 -4.0570 -4.0568 -4.0565 -2.0800 -2.0798 -2.0795 -2.0784 0.4518 0.4573 0.4710 0.4729 1.2756 1.2765 1.2939 1.3030 1.6612 1.6656 1.6862 1.6931 2.2436 2.2658 2.2677 2.2780 2.5134 2.5502 2.5525 2.5838 2.8315 2.8454 2.8804 2.8965 3.1583 3.1906 3.2019 3.2623 3.3401 3.3585 3.4104 3.4165 3.5049 3.5072 3.5123 3.5392 3.5872 3.6408 3.6830 3.6932 4.3338 4.3475 4.3704 4.3711 4.6772 4.6787 4.6821 4.6837 6.6541 6.6719 6.6735 6.6762 7.1832 7.2505 7.2988 7.3793 7.6820 7.7456 7.8073 7.8851 8.0620 8.0652 k = 0.0625-0.0000 0.2032 ( 12602 PWs) bands (ev): -9.6551 -9.6546 -9.6544 -9.6539 -9.2696 -9.2694 -9.2687 -9.2685 -8.4826 -8.4820 -8.4818 -8.4817 -7.0959 -7.0953 -7.0951 -7.0949 -4.0606 -4.0606 -4.0604 -4.0601 -2.0872 -2.0869 -2.0869 -2.0855 0.4493 0.4555 0.4740 0.4759 1.2160 1.2169 1.2410 1.2495 1.6376 1.6446 1.6680 1.6723 2.2661 2.2783 2.2906 2.2969 2.4941 2.5232 2.5457 2.5727 2.8018 2.8216 2.8529 2.8662 3.1532 3.1900 3.1923 3.2669 3.3463 3.3498 3.4194 3.4226 3.4830 3.4920 3.5053 3.5313 3.6074 3.6386 3.7084 3.7100 4.3257 4.3406 4.3682 4.3692 4.6746 4.6753 4.6781 4.6816 6.6911 6.7110 6.7223 6.7224 7.1725 7.2336 7.2981 7.3615 7.7339 7.7749 7.8660 7.9391 8.0776 8.0879 k = 0.0750-0.0000 0.2032 ( 12608 PWs) bands (ev): -9.6469 -9.6464 -9.6461 -9.6455 -9.2651 -9.2648 -9.2640 -9.2638 -8.4769 -8.4762 -8.4760 -8.4760 -7.0933 -7.0927 -7.0924 -7.0923 -4.0650 -4.0650 -4.0648 -4.0644 -2.0962 -2.0960 -2.0959 -2.0944 0.4462 0.4531 0.4769 0.4788 1.1509 1.1533 1.1837 1.1917 1.6117 1.6205 1.6455 1.6480 2.2740 2.2745 2.2961 2.2962 2.4829 2.4954 2.5488 2.5699 2.7800 2.8081 2.8267 2.8375 3.1450 3.1758 3.1871 3.2636 3.3401 3.3542 3.4282 3.4296 3.4546 3.4728 3.4963 3.5132 3.6334 3.6489 3.7302 3.7373 4.3170 4.3332 4.3638 4.3664 4.6697 4.6703 4.6718 4.6778 6.7316 6.7536 6.7769 6.7799 7.1683 7.2243 7.2947 7.3428 7.7922 7.8119 7.9289 7.9981 8.0985 8.1169 k = 0.0875-0.0000 0.2032 ( 12618 PWs) bands (ev): -9.6372 -9.6367 -9.6362 -9.6357 -9.2597 -9.2595 -9.2585 -9.2583 -8.4702 -8.4693 -8.4692 -8.4691 -7.0904 -7.0898 -7.0894 -7.0892 -4.0701 -4.0700 -4.0699 -4.0694 -2.1070 -2.1070 -2.1067 -2.1051 0.4422 0.4499 0.4795 0.4816 1.0834 1.0872 1.1245 1.1322 1.5832 1.5929 1.6186 1.6199 2.2529 2.2605 2.2712 2.2802 2.4739 2.4812 2.5571 2.5758 2.7685 2.8049 2.8060 2.8141 3.1330 3.1531 3.1804 3.2480 3.3337 3.3628 3.4242 3.4370 3.4392 3.4601 3.4822 3.4913 3.6604 3.6674 3.7534 3.7626 4.3080 4.3256 4.3581 4.3620 4.6614 4.6627 4.6636 4.6718 6.7729 6.7966 6.8382 6.8450 7.1729 7.2244 7.2907 7.3253 7.8536 7.8538 7.9949 8.0597 8.1254 8.1525 k = 0.1000-0.0000 0.2032 ( 12602 PWs) bands (ev): -9.6261 -9.6256 -9.6250 -9.6245 -9.2536 -9.2534 -9.2523 -9.2520 -8.4624 -8.4614 -8.4613 -8.4613 -7.0873 -7.0867 -7.0861 -7.0860 -4.0758 -4.0758 -4.0757 -4.0751 -2.1200 -2.1199 -2.1195 -2.1179 0.4368 0.4453 0.4813 0.4840 1.0153 1.0206 1.0653 1.0729 1.5517 1.5617 1.5871 1.5878 2.2174 2.2260 2.2281 2.2465 2.4590 2.4820 2.5632 2.5821 2.7679 2.7916 2.8009 2.8143 3.1169 3.1244 3.1687 3.2186 3.3346 3.3718 3.3986 3.4439 3.4488 3.4542 3.4689 3.4724 3.6860 3.6887 3.7745 3.7840 4.2990 4.3180 4.3514 4.3563 4.6500 4.6505 4.6539 4.6629 6.8120 6.8367 6.9047 6.9166 7.1888 7.2359 7.2879 7.3101 7.8976 7.9147 8.0620 8.1178 8.1593 8.1935 k = 0.1125-0.0000 0.2032 ( 12610 PWs) bands (ev): -9.6137 -9.6132 -9.6125 -9.6119 -9.2468 -9.2466 -9.2453 -9.2451 -8.4535 -8.4524 -8.4524 -8.4524 -7.0840 -7.0834 -7.0827 -7.0826 -4.0821 -4.0821 -4.0821 -4.0813 -2.1351 -2.1348 -2.1344 -2.1328 0.4296 0.4389 0.4820 0.4854 0.9482 0.9551 1.0078 1.0153 1.5172 1.5269 1.5511 1.5517 2.1727 2.1744 2.1768 2.2010 2.4465 2.4794 2.5592 2.5786 2.7751 2.7893 2.8027 2.8298 3.0906 3.0969 3.1519 3.1806 3.3422 3.3788 3.3816 3.4400 3.4533 3.4594 3.4602 3.4687 3.7086 3.7093 3.7910 3.8005 4.2904 4.3108 4.3442 4.3497 4.6347 4.6353 4.6405 4.6505 6.8466 6.8710 6.9742 6.9931 7.2176 7.2598 7.2884 7.2980 7.9408 7.9721 8.1269 8.1629 8.2019 8.2458 k = 0.1250-0.0000 0.2032 ( 12606 PWs) bands (ev): -9.6000 -9.5994 -9.5986 -9.5981 -9.2393 -9.2390 -9.2376 -9.2374 -8.4436 -8.4424 -8.4424 -8.4424 -7.0807 -7.0800 -7.0793 -7.0792 -4.0890 -4.0889 -4.0889 -4.0881 -2.1524 -2.1520 -2.1516 -2.1500 0.4199 0.4301 0.4807 0.4854 0.8834 0.8923 0.9535 0.9611 1.4795 1.4887 1.5108 1.5117 2.1149 2.1195 2.1222 2.1487 2.4332 2.4726 2.5432 2.5614 2.7847 2.7959 2.8182 2.8476 3.0534 3.0750 3.1318 3.1406 3.3542 3.3666 3.3924 3.4295 3.4546 3.4556 3.4731 3.4779 3.7272 3.7273 3.8019 3.8112 4.2824 4.3043 4.3368 4.3426 4.6153 4.6170 4.6231 4.6342 6.8757 6.8987 7.0437 7.0733 7.2592 7.2895 7.2945 7.2959 7.9814 8.0229 8.1850 8.1963 8.2544 8.3037 k = 0.1375-0.0000 0.2032 ( 12602 PWs) bands (ev): -9.5850 -9.5845 -9.5835 -9.5829 -9.2310 -9.2308 -9.2293 -9.2290 -8.4327 -8.4314 -8.4314 -8.4313 -7.0775 -7.0768 -7.0759 -7.0759 -4.0963 -4.0962 -4.0962 -4.0953 -2.1721 -2.1716 -2.1712 -2.1695 0.4072 0.4182 0.4765 0.4829 0.8226 0.8338 0.9036 0.9113 1.4389 1.4473 1.4666 1.4679 2.0522 2.0579 2.0683 2.0926 2.4184 2.4627 2.5177 2.5335 2.7904 2.8048 2.8403 2.8609 3.0160 3.0557 3.1043 3.1128 3.3611 3.3692 3.4044 3.4222 3.4540 3.4596 3.4873 3.4903 3.7416 3.7419 3.8067 3.8163 4.2753 4.2987 4.3297 4.3355 4.5922 4.5955 4.6014 4.6137 6.8997 6.9208 7.1086 7.1553 7.2850 7.3102 7.3109 7.3421 8.0182 8.0657 8.2248 8.2331 8.3164 8.3682 k = 0.1500-0.0000 0.2032 ( 12618 PWs) bands (ev): -9.5689 -9.5683 -9.5672 -9.5667 -9.2222 -9.2220 -9.2203 -9.2201 -8.4207 -8.4193 -8.4193 -8.4192 -7.0745 -7.0738 -7.0728 -7.0728 -4.1039 -4.1038 -4.1038 -4.1028 -2.1943 -2.1937 -2.1932 -2.1916 0.3911 0.4028 0.4680 0.4766 0.7674 0.7815 0.8589 0.8669 1.3956 1.4030 1.4190 1.4210 1.9881 1.9944 2.0128 2.0346 2.4020 2.4509 2.4861 2.4992 2.7871 2.8081 2.8583 2.8626 2.9853 3.0456 3.0771 3.0996 3.3608 3.3862 3.4169 3.4194 3.4572 3.4645 3.5022 3.5037 3.7522 3.7524 3.8058 3.8159 4.2688 4.2938 4.3231 4.3286 4.5657 4.5709 4.5753 4.5889 6.9202 6.9393 7.1624 7.2359 7.2864 7.3407 7.3692 7.3953 8.0509 8.1011 8.2516 8.2725 8.3856 8.4380 k = 0.1625-0.0000 0.2032 ( 12618 PWs) bands (ev): -9.5516 -9.5511 -9.5499 -9.5493 -9.2128 -9.2126 -9.2108 -9.2105 -8.4076 -8.4062 -8.4061 -8.4060 -7.0719 -7.0711 -7.0700 -7.0700 -4.1118 -4.1116 -4.1116 -4.1105 -2.2191 -2.2184 -2.2180 -2.2163 0.3712 0.3836 0.4537 0.4648 0.7199 0.7371 0.8201 0.8286 1.3500 1.3565 1.3688 1.3715 1.9237 1.9304 1.9565 1.9763 2.3844 2.4379 2.4510 2.4611 2.7728 2.8002 2.8492 2.8575 2.9743 3.0482 3.0635 3.0947 3.3638 3.4041 3.4202 3.4288 3.4637 3.4694 3.5171 3.5174 3.7592 3.7593 3.8003 3.8113 4.2622 4.2892 4.3173 4.3224 4.5364 4.5440 4.5448 4.5599 6.9389 6.9564 7.2011 7.2793 7.3279 7.3886 7.4303 7.4519 8.0793 8.1306 8.2777 8.3065 8.4585 8.5113 k = 0.1750-0.0000 0.2032 ( 12602 PWs) bands (ev): -9.5333 -9.5328 -9.5315 -9.5309 -9.2028 -9.2026 -9.2007 -9.2005 -8.3935 -8.3919 -8.3919 -8.3917 -7.0699 -7.0690 -7.0678 -7.0678 -4.1196 -4.1194 -4.1194 -4.1183 -2.2467 -2.2458 -2.2454 -2.2438 0.3477 0.3605 0.4324 0.4455 0.6821 0.7021 0.7872 0.7963 1.3028 1.3083 1.3168 1.3201 1.8598 1.8670 1.9005 1.9183 2.3655 2.4137 2.4207 2.4238 2.7492 2.7801 2.8244 2.8335 2.9868 3.0607 3.0637 3.0976 3.3685 3.4219 3.4231 3.4383 3.4738 3.4738 3.5297 3.5319 3.7633 3.7636 3.7918 3.8039 4.2546 4.2837 4.3124 4.3170 4.5053 4.5102 4.5160 4.5271 6.9569 6.9731 7.2282 7.2879 7.4050 7.4485 7.4911 7.5088 8.1037 8.1554 8.3038 8.3377 8.5318 8.5862 k = 0.1875-0.0000 0.2032 ( 12608 PWs) bands (ev): -9.5142 -9.5136 -9.5122 -9.5116 -9.1924 -9.1922 -9.1902 -9.1899 -8.3783 -8.3766 -8.3766 -8.3763 -7.0685 -7.0676 -7.0663 -7.0663 -4.1274 -4.1271 -4.1270 -4.1259 -2.2770 -2.2761 -2.2757 -2.2741 0.3210 0.3342 0.4042 0.4185 0.6545 0.6762 0.7597 0.7696 1.2544 1.2590 1.2636 1.2677 1.7972 1.8047 1.8454 1.8616 2.3455 2.3754 2.3792 2.4086 2.7200 2.7512 2.7941 2.7991 3.0099 3.0742 3.0778 3.1054 3.3738 3.4266 3.4384 3.4444 3.4772 3.4866 3.5404 3.5447 3.7652 3.7661 3.7826 3.7957 4.2443 4.2758 4.3081 4.3124 4.4722 4.4744 4.4884 4.4912 6.9752 6.9904 7.2500 7.2975 7.4801 7.5126 7.5488 7.5632 8.1244 8.1764 8.3302 8.3675 8.6015 8.6605 k = 0.2000-0.0000 0.2032 ( 12618 PWs) bands (ev): -9.4941 -9.4936 -9.4921 -9.4915 -9.1816 -9.1813 -9.1793 -9.1790 -8.3619 -8.3602 -8.3602 -8.3598 -7.0679 -7.0671 -7.0657 -7.0656 -4.1348 -4.1344 -4.1343 -4.1331 -2.3102 -2.3093 -2.3089 -2.3074 0.2921 0.3053 0.3706 0.3849 0.6356 0.6579 0.7367 0.7475 1.2055 1.2094 1.2102 1.2151 1.7363 1.7442 1.7916 1.8065 2.3243 2.3366 2.3374 2.3918 2.6889 2.7176 2.7621 2.7627 3.0355 3.0907 3.0959 3.1154 3.3783 3.4292 3.4474 3.4518 3.4803 3.5006 3.5484 3.5550 3.7660 3.7678 3.7748 3.7884 4.2295 4.2632 4.3035 4.3079 4.4321 4.4463 4.4538 4.4635 6.9941 7.0085 7.2701 7.3096 7.5493 7.5750 7.6013 7.6127 8.1416 8.1945 8.3572 8.3965 8.6630 8.7278 k = 0.2125-0.0000 0.2032 ( 12610 PWs) bands (ev): -9.4734 -9.4728 -9.4712 -9.4706 -9.1703 -9.1701 -9.1680 -9.1677 -8.3445 -8.3427 -8.3426 -8.3423 -7.0685 -7.0676 -7.0661 -7.0660 -4.1416 -4.1412 -4.1411 -4.1398 -2.3464 -2.3454 -2.3450 -2.3436 0.2618 0.2750 0.3339 0.3475 0.6226 0.6447 0.7169 0.7289 1.1569 1.1575 1.1603 1.1631 1.6777 1.6859 1.7395 1.7535 2.2961 2.2982 2.3021 2.3732 2.6584 2.6821 2.7252 2.7322 3.0610 3.1102 3.1131 3.1255 3.3814 3.4292 3.4477 3.4584 3.4858 3.5142 3.5537 3.5620 3.7663 3.7693 3.7699 3.7835 4.2085 4.2430 4.2962 4.3009 4.3934 4.4180 4.4244 4.4434 7.0138 7.0276 7.2902 7.3242 7.6106 7.6321 7.6468 7.6556 8.1556 8.2098 8.3846 8.4250 8.7107 8.7781 k = 0.2250-0.0000 0.2032 ( 12600 PWs) bands (ev): -9.4520 -9.4515 -9.4498 -9.4492 -9.1588 -9.1586 -9.1564 -9.1561 -8.3260 -8.3241 -8.3240 -8.3235 -7.0702 -7.0693 -7.0677 -7.0676 -4.1476 -4.1472 -4.1471 -4.1456 -2.3855 -2.3846 -2.3842 -2.3827 0.2311 0.2442 0.2961 0.3087 0.6128 0.6343 0.6991 0.7121 1.1065 1.1095 1.1125 1.1127 1.6218 1.6302 1.6896 1.7030 2.2560 2.2608 2.2792 2.3529 2.6300 2.6460 2.6889 2.7036 3.0853 3.1283 3.1309 3.1343 3.3824 3.4254 3.4453 3.4565 3.4950 3.5266 3.5573 3.5661 3.7666 3.7683 3.7709 3.7814 4.1807 4.2139 4.2812 4.2838 4.3645 4.3897 4.4108 4.4298 7.0342 7.0475 7.3110 7.3409 7.6625 7.6813 7.6843 7.6908 8.1668 8.2228 8.4119 8.4525 8.7409 8.8178 k = 0.2375-0.0000 0.2032 ( 12592 PWs) bands (ev): -9.4302 -9.4296 -9.4279 -9.4272 -9.1470 -9.1468 -9.1446 -9.1443 -8.3063 -8.3043 -8.3042 -8.3037 -7.0734 -7.0724 -7.0708 -7.0707 -4.1526 -4.1521 -4.1520 -4.1505 -2.4275 -2.4266 -2.4262 -2.4249 0.2007 0.2137 0.2588 0.2702 0.6038 0.6246 0.6817 0.6958 1.0581 1.0640 1.0650 1.0668 1.5688 1.5774 1.6421 1.6551 2.2179 2.2250 2.2561 2.3315 2.6039 2.6099 2.6533 2.6770 3.1079 3.1406 3.1407 3.1518 3.3813 3.4174 3.4407 3.4494 3.5050 3.5372 3.5608 3.5682 3.7672 3.7688 3.7721 3.7816 4.1468 4.1771 4.2494 4.2531 4.3535 4.3754 4.4055 4.4229 7.0552 7.0681 7.3326 7.3594 7.7036 7.7133 7.7178 7.7209 8.1752 8.2331 8.4381 8.4782 8.7556 8.8288 k = 0.2500-0.0000 0.2032 ( 12588 PWs) bands (ev): -9.4080 -9.4074 -9.4056 -9.4050 -9.1351 -9.1349 -9.1326 -9.1324 -8.2854 -8.2833 -8.2832 -8.2826 -7.0782 -7.0772 -7.0755 -7.0753 -4.1563 -4.1557 -4.1556 -4.1540 -2.4724 -2.4715 -2.4712 -2.4699 0.1714 0.1842 0.2228 0.2330 0.5942 0.6140 0.6635 0.6784 1.0137 1.0209 1.0216 1.0242 1.5191 1.5277 1.5972 1.6100 2.1824 2.1915 2.2333 2.3095 2.5738 2.5797 2.6181 2.6520 3.1285 3.1438 3.1495 3.1721 3.3786 3.4065 3.4346 3.4396 3.5138 3.5456 3.5649 3.5691 3.7677 3.7694 3.7725 3.7827 4.1088 4.1354 4.2037 4.2137 4.3555 4.3740 4.4070 4.4221 7.0766 7.0891 7.3551 7.3795 7.7336 7.7340 7.7369 7.7501 8.1804 8.2401 8.4622 8.5008 8.7599 8.8238 k = 0.2625-0.0000 0.2032 ( 12574 PWs) bands (ev): -9.3855 -9.3850 -9.3831 -9.3825 -9.1231 -9.1229 -9.1206 -9.1204 -8.2633 -8.2612 -8.2610 -8.2604 -7.0847 -7.0837 -7.0819 -7.0818 -4.1584 -4.1578 -4.1576 -4.1560 -2.5200 -2.5193 -2.5190 -2.5177 0.1435 0.1560 0.1887 0.1978 0.5825 0.6012 0.6433 0.6585 0.9744 0.9816 0.9832 0.9857 1.4729 1.4815 1.5551 1.5680 2.1501 2.1608 2.2115 2.2880 2.5377 2.5565 2.5830 2.6277 3.1435 3.1468 3.1541 3.1910 3.3751 3.3948 3.4278 3.4288 3.5207 3.5512 3.5693 3.5697 3.7681 3.7682 3.7711 3.7831 4.0693 4.0916 4.1539 4.1691 4.3641 4.3809 4.4137 4.4266 7.0981 7.1103 7.3781 7.4006 7.7470 7.7486 7.7530 7.7690 8.1820 8.2429 8.4825 8.5190 8.7578 8.8148 k = 0.2750-0.0000 0.2032 ( 12580 PWs) bands (ev): -9.3630 -9.3625 -9.3606 -9.3599 -9.1111 -9.1109 -9.1086 -9.1083 -8.2400 -8.2378 -8.2376 -8.2369 -7.0932 -7.0921 -7.0903 -7.0901 -4.1587 -4.1580 -4.1578 -4.1561 -2.5703 -2.5696 -2.5694 -2.5682 0.1173 0.1296 0.1570 0.1649 0.5677 0.5852 0.6200 0.6350 0.9412 0.9478 0.9497 0.9522 1.4305 1.4389 1.5161 1.5290 2.1212 2.1332 2.1911 2.2677 2.5015 2.5335 2.5477 2.6036 3.1397 3.1539 3.1624 3.2079 3.3719 3.3844 3.4185 3.4211 3.5251 3.5536 3.5684 3.5741 3.7636 3.7673 3.7680 3.7818 4.0308 4.0483 4.1033 4.1234 4.3771 4.3931 4.4244 4.4354 7.1196 7.1315 7.4016 7.4226 7.7534 7.7539 7.7626 7.7785 8.1791 8.2402 8.4977 8.5312 8.7522 8.8031 k = 0.2875-0.0000 0.2032 ( 12592 PWs) bands (ev): -9.3405 -9.3400 -9.3381 -9.3374 -9.0991 -9.0989 -9.0966 -9.0964 -8.2155 -8.2132 -8.2130 -8.2122 -7.1037 -7.1026 -7.1008 -7.1005 -4.1568 -4.1562 -4.1559 -4.1541 -2.6230 -2.6225 -2.6223 -2.6211 0.0930 0.1051 0.1276 0.1343 0.5494 0.5654 0.5932 0.6074 0.9145 0.9202 0.9219 0.9243 1.3920 1.4002 1.4801 1.4932 2.0961 2.1088 2.1725 2.2492 2.4651 2.5097 2.5122 2.5790 3.1330 3.1491 3.1750 3.2216 3.3693 3.3770 3.4103 3.4152 3.5265 3.5524 3.5654 3.5771 3.7548 3.7605 3.7674 3.7784 3.9957 4.0078 4.0536 4.0791 4.3934 4.4091 4.4385 4.4479 7.1408 7.1523 7.4252 7.4450 7.7540 7.7542 7.7640 7.7800 8.1709 8.2312 8.5060 8.5357 8.7445 8.7899 k = 0.3000-0.0000 0.2032 ( 12606 PWs) bands (ev): -9.3183 -9.3178 -9.3159 -9.3152 -9.0873 -9.0871 -9.0849 -9.0846 -8.1897 -8.1873 -8.1871 -8.1863 -7.1165 -7.1153 -7.1134 -7.1132 -4.1526 -4.1519 -4.1517 -4.1497 -2.6781 -2.6777 -2.6775 -2.6764 0.0707 0.0826 0.1006 0.1061 0.5274 0.5417 0.5632 0.5760 0.8942 0.8985 0.9001 0.9023 1.3577 1.3654 1.4475 1.4606 2.0747 2.0875 2.1557 2.2327 2.4288 2.4766 2.4848 2.5534 3.1242 3.1401 3.1841 3.2310 3.3673 3.3726 3.4053 3.4106 3.5247 3.5471 3.5591 3.5769 3.7423 3.7504 3.7667 3.7732 3.9658 3.9715 4.0065 4.0384 4.4124 4.4279 4.4553 4.4635 7.1615 7.1727 7.4486 7.4677 7.7498 7.7505 7.7588 7.7752 8.1569 8.2153 8.5060 8.5310 8.7357 8.7756 k = 0.3125-0.0000 0.2032 ( 12586 PWs) bands (ev): -9.2964 -9.2959 -9.2940 -9.2933 -9.0757 -9.0755 -9.0733 -9.0731 -8.1626 -8.1601 -8.1599 -8.1590 -7.1315 -7.1303 -7.1283 -7.1281 -4.1458 -4.1451 -4.1448 -4.1428 -2.7352 -2.7349 -2.7348 -2.7338 0.0502 0.0619 0.0760 0.0802 0.5022 0.5145 0.5306 0.5417 0.8793 0.8820 0.8838 0.8858 1.3276 1.3348 1.4183 1.4313 2.0567 2.0692 2.1406 2.2182 2.3930 2.4410 2.4586 2.5268 3.1140 3.1282 3.1894 3.2350 3.3652 3.3706 3.4045 3.4069 3.5193 3.5381 3.5485 3.5718 3.7284 3.7369 3.7656 3.7675 3.9405 3.9414 3.9631 4.0028 4.4336 4.4489 4.4743 4.4815 7.1815 7.1926 7.4715 7.4901 7.7426 7.7436 7.7487 7.7657 8.1370 8.1929 8.4965 8.5158 8.7265 8.7610 k = 0.3250-0.0000 0.2032 ( 12580 PWs) bands (ev): -9.2750 -9.2746 -9.2727 -9.2720 -9.0644 -9.0642 -9.0621 -9.0619 -8.1342 -8.1317 -8.1315 -8.1305 -7.1489 -7.1476 -7.1456 -7.1453 -4.1362 -4.1355 -4.1351 -4.1331 -2.7941 -2.7940 -2.7939 -2.7930 0.0314 0.0431 0.0535 0.0565 0.4744 0.4848 0.4965 0.5058 0.8689 0.8700 0.8725 0.8742 1.3019 1.3085 1.3925 1.4052 2.0420 2.0533 2.1268 2.2052 2.3582 2.4061 2.4316 2.4995 3.1029 3.1142 3.1906 3.2329 3.3619 3.3696 3.4033 3.4079 3.5107 3.5267 3.5338 3.5607 3.7161 3.7203 3.7629 3.7639 3.9145 3.9222 3.9247 3.9732 4.4563 4.4716 4.4949 4.5013 7.2007 7.2116 7.4935 7.5121 7.7333 7.7343 7.7352 7.7532 8.1117 8.1647 8.4768 8.4902 8.7169 8.7432 k = 0.3375-0.0000 0.2032 ( 12586 PWs) bands (ev): -9.2543 -9.2539 -9.2520 -9.2514 -9.0535 -9.0533 -9.0513 -9.0510 -8.1046 -8.1019 -8.1018 -8.1007 -7.1686 -7.1673 -7.1653 -7.1650 -4.1235 -4.1228 -4.1224 -4.1203 -2.8546 -2.8546 -2.8546 -2.8537 0.0143 0.0259 0.0332 0.0348 0.4452 0.4536 0.4619 0.4694 0.8615 0.8618 0.8652 0.8667 1.2804 1.2865 1.3701 1.3822 2.0300 2.0391 2.1140 2.1931 2.3254 2.3724 2.4046 2.4719 3.0910 3.0988 3.1876 3.2249 3.3563 3.3684 3.3981 3.4143 3.4998 3.5149 3.5164 3.5444 3.7015 3.7073 3.7603 3.7608 3.8928 3.8929 3.9072 3.9500 4.4801 4.4952 4.5166 4.5225 7.2191 7.2299 7.5139 7.5331 7.7196 7.7226 7.7235 7.7392 8.0819 8.1319 8.4477 8.4557 8.7070 8.7214 k = 0.3500-0.0000 0.2032 ( 12584 PWs) bands (ev): -9.2345 -9.2341 -9.2323 -9.2316 -9.0430 -9.0429 -9.0410 -9.0407 -8.0736 -8.0709 -8.0708 -8.0697 -7.1907 -7.1893 -7.1873 -7.1870 -4.1078 -4.1071 -4.1066 -4.1045 -2.9166 -2.9166 -2.9163 -2.9158 -0.0014 0.0102 0.0148 0.0150 0.4155 0.4219 0.4279 0.4335 0.8558 0.8573 0.8612 0.8626 1.2632 1.2685 1.3510 1.3623 2.0200 2.0259 2.1013 2.1806 2.2954 2.3407 2.3789 2.4449 3.0783 3.0821 3.1800 3.2115 3.3473 3.3655 3.3897 3.4208 3.4887 3.4990 3.5053 3.5257 3.6816 3.7019 3.7549 3.7598 3.8687 3.8750 3.8956 3.9327 4.5045 4.5194 4.5388 4.5444 7.2366 7.2474 7.5321 7.5526 7.7030 7.7114 7.7120 7.7254 8.0485 8.0960 8.4111 8.4146 8.6968 8.7036 k = 0.3625-0.0000 0.2032 ( 12592 PWs) bands (ev): -9.2155 -9.2152 -9.2134 -9.2128 -9.0331 -9.0330 -9.0312 -9.0309 -8.0415 -8.0387 -8.0385 -8.0374 -7.2151 -7.2137 -7.2117 -7.2113 -4.0887 -4.0880 -4.0876 -4.0854 -2.9795 -2.9795 -2.9790 -2.9788 -0.0158 -0.0042 -0.0031 -0.0019 0.3863 0.3908 0.3951 0.3990 0.8524 0.8548 0.8598 0.8610 1.2500 1.2545 1.3348 1.3450 2.0116 2.0129 2.0883 2.1668 2.2693 2.3118 2.3559 2.4192 3.0640 3.0643 3.1675 3.1934 3.3349 3.3601 3.3776 3.4233 3.4817 3.4840 3.4993 3.5081 3.6617 3.6985 3.7454 3.7609 3.8532 3.8601 3.8868 3.9203 4.5290 4.5436 4.5610 4.5664 7.2533 7.2642 7.5469 7.5699 7.6868 7.7002 7.7002 7.7132 8.0130 8.0584 8.3694 8.3694 8.6862 8.6886 k = 0.3750-0.0000 0.2032 ( 12580 PWs) bands (ev): -9.1977 -9.1974 -9.1958 -9.1951 -9.0238 -9.0237 -9.0220 -9.0218 -8.0081 -8.0052 -8.0051 -8.0039 -7.2417 -7.2402 -7.2383 -7.2378 -4.0663 -4.0657 -4.0652 -4.0630 -3.0432 -3.0431 -3.0426 -3.0425 -0.0292 -0.0196 -0.0173 -0.0170 0.3582 0.3609 0.3642 0.3664 0.8510 0.8541 0.8604 0.8614 1.2402 1.2441 1.3213 1.3301 1.9996 2.0041 2.0743 2.1505 2.2478 2.2864 2.3368 2.3955 3.0452 3.0479 3.1502 3.1711 3.3201 3.3520 3.3632 3.4182 3.4725 3.4822 3.4940 3.4964 3.6429 3.6960 3.7335 3.7627 3.8450 3.8481 3.8805 3.9118 4.5530 4.5673 4.5828 4.5882 7.2694 7.2805 7.5571 7.5836 7.6723 7.6885 7.6894 7.7041 7.9768 8.0207 8.3222 8.3249 8.6754 8.6755 k = 0.3875-0.0000 0.2032 ( 12566 PWs) bands (ev): -9.1811 -9.1809 -9.1793 -9.1787 -9.0152 -9.0151 -9.0136 -9.0134 -7.9735 -7.9706 -7.9706 -7.9693 -7.2705 -7.2689 -7.2670 -7.2665 -4.0406 -4.0400 -4.0394 -4.0373 -3.1072 -3.1070 -3.1067 -3.1063 -0.0415 -0.0347 -0.0306 -0.0294 0.3318 0.3328 0.3357 0.3363 0.8513 0.8549 0.8627 0.8635 1.2334 1.2366 1.3098 1.3170 1.9859 1.9972 2.0592 2.1316 2.2315 2.2653 2.3218 2.3742 3.0253 3.0298 3.1284 3.1457 3.3050 3.3419 3.3484 3.4073 3.4641 3.4840 3.4881 3.4949 3.6265 3.6934 3.7214 3.7642 3.8391 3.8418 3.8764 3.9061 4.5763 4.5903 4.6037 4.6091 7.2850 7.2963 7.5617 7.5920 7.6610 7.6773 7.6792 7.6990 7.9417 7.9848 8.2745 8.2793 8.6635 8.6645 k = 0.4000-0.0000 0.2032 ( 12578 PWs) bands (ev): -9.1659 -9.1657 -9.1643 -9.1637 -9.0074 -9.0073 -9.0059 -9.0057 -7.9380 -7.9351 -7.9350 -7.9337 -7.3012 -7.2995 -7.2977 -7.2971 -4.0115 -4.0109 -4.0103 -4.0082 -3.1713 -3.1711 -3.1709 -3.1702 -0.0529 -0.0483 -0.0428 -0.0405 0.3070 0.3075 0.3089 0.3098 0.8533 0.8572 0.8663 0.8668 1.2290 1.2317 1.2998 1.3052 1.9722 1.9908 2.0430 2.1107 2.2202 2.2486 2.3106 2.3553 3.0051 3.0102 3.1033 3.1180 3.2912 3.3313 3.3346 3.3941 3.4580 3.4775 3.4932 3.4948 3.6138 3.6905 3.7112 3.7645 3.8331 3.8415 3.8742 3.9024 4.5984 4.6120 4.6232 4.6289 7.3003 7.3121 7.5605 7.5934 7.6538 7.6667 7.6698 7.6970 7.9097 7.9527 8.2274 8.2341 8.6523 8.6538 k = 0.4125-0.0000 0.2032 ( 12578 PWs) bands (ev): -9.1522 -9.1520 -9.1507 -9.1502 -9.0003 -9.0002 -8.9990 -8.9988 -7.9016 -7.8987 -7.8985 -7.8972 -7.3335 -7.3318 -7.3300 -7.3294 -3.9791 -3.9786 -3.9780 -3.9758 -3.2352 -3.2349 -3.2348 -3.2338 -0.0633 -0.0605 -0.0536 -0.0506 0.2837 0.2846 0.2857 0.2869 0.8568 0.8608 0.8709 0.8711 1.2264 1.2286 1.2907 1.2942 1.9593 1.9851 2.0262 2.0891 2.2133 2.2363 2.3018 2.3384 2.9856 2.9900 3.0761 3.0894 3.2798 3.3215 3.3219 3.3803 3.4535 3.4734 3.4903 3.4993 3.6061 3.6871 3.7043 3.7632 3.8302 3.8426 3.8737 3.9000 4.6190 4.6321 4.6411 4.6471 7.3158 7.3282 7.5547 7.5884 7.6492 7.6567 7.6613 7.6955 7.8836 7.9265 8.1817 8.1900 8.6420 8.6434 k = 0.4250-0.0000 0.2032 ( 12574 PWs) bands (ev): -9.1400 -9.1398 -9.1387 -9.1382 -8.9941 -8.9940 -8.9930 -8.9928 -7.8644 -7.8616 -7.8614 -7.8600 -7.3673 -7.3655 -7.3638 -7.3631 -3.9434 -3.9430 -3.9424 -3.9403 -3.2985 -3.2982 -3.2982 -3.2969 -0.0728 -0.0712 -0.0631 -0.0598 0.2632 0.2634 0.2666 0.2669 0.8615 0.8655 0.8759 0.8761 1.2250 1.2269 1.2820 1.2837 1.9481 1.9805 2.0094 2.0681 2.2100 2.2281 2.2942 2.3229 2.9680 2.9707 3.0485 3.0611 3.2710 3.3105 3.3130 3.3667 3.4503 3.4711 3.4859 3.5002 3.6042 3.6832 3.7011 3.7602 3.8299 3.8441 3.8744 3.8983 4.6377 4.6504 4.6571 4.6634 7.3317 7.3448 7.5456 7.5795 7.6435 7.6474 7.6537 7.6910 7.8665 7.9083 8.1380 8.1480 8.6325 8.6338 k = 0.4375-0.0000 0.2032 ( 12570 PWs) bands (ev): -9.1295 -9.1294 -9.1285 -9.1280 -8.9888 -8.9887 -8.9878 -8.9877 -7.8269 -7.8241 -7.8238 -7.8225 -7.4022 -7.4003 -7.3987 -7.3980 -3.9048 -3.9044 -3.9037 -3.9017 -3.3608 -3.3607 -3.3605 -3.3591 -0.0811 -0.0805 -0.0712 -0.0679 0.2454 0.2457 0.2501 0.2502 0.8673 0.8712 0.8810 0.8816 1.2245 1.2262 1.2733 1.2736 1.9394 1.9774 1.9934 2.0487 2.2098 2.2235 2.2866 2.3082 2.9533 2.9538 3.0219 3.0341 3.2645 3.2999 3.3063 3.3535 3.4482 3.4699 3.4804 3.4978 3.6073 3.6787 3.7011 3.7560 3.8314 3.8455 3.8761 3.8969 4.6544 4.6665 4.6707 4.6774 7.3483 7.3623 7.5342 7.5682 7.6351 7.6387 7.6470 7.6819 7.8601 7.8992 8.0968 8.1084 8.6240 8.6251 k = 0.4500-0.0000 0.2032 ( 12558 PWs) bands (ev): -9.1207 -9.1207 -9.1199 -9.1195 -8.9844 -8.9843 -8.9836 -8.9835 -7.7894 -7.7868 -7.7863 -7.7851 -7.4376 -7.4357 -7.4341 -7.4333 -3.8633 -3.8631 -3.8623 -3.8604 -3.4218 -3.4218 -3.4216 -3.4200 -0.0883 -0.0882 -0.0778 -0.0748 0.2308 0.2312 0.2363 0.2367 0.8735 0.8773 0.8858 0.8868 1.2245 1.2262 1.2637 1.2646 1.9336 1.9760 1.9788 2.0316 2.2121 2.2220 2.2783 2.2939 2.9404 2.9423 2.9973 3.0094 3.2601 3.2901 3.3015 3.3409 3.4471 3.4697 3.4742 3.4935 3.6138 3.6738 3.7037 3.7510 3.8339 3.8466 3.8783 3.8957 4.6686 4.6802 4.6819 4.6891 7.3659 7.3810 7.5205 7.5542 7.6251 7.6307 7.6413 7.6692 7.8635 7.8986 8.0584 8.0716 8.6167 8.6176 k = 0.4625-0.0000 0.2032 ( 12558 PWs) bands (ev): -9.1138 -9.1138 -9.1133 -9.1129 -8.9809 -8.9809 -8.9803 -8.9802 -7.7528 -7.7503 -7.7497 -7.7486 -7.4726 -7.4707 -7.4691 -7.4683 -3.8195 -3.8194 -3.8186 -3.8168 -3.4810 -3.4809 -3.4807 -3.4789 -0.0943 -0.0941 -0.0830 -0.0805 0.2194 0.2199 0.2257 0.2261 0.8798 0.8834 0.8899 0.8913 1.2251 1.2269 1.2543 1.2561 1.9309 1.9659 1.9766 2.0172 2.2165 2.2233 2.2693 2.2798 2.9314 2.9357 2.9756 2.9875 3.2577 3.2812 3.2988 3.3292 3.4470 3.4681 3.4702 3.4886 3.6220 3.6683 3.7082 3.7454 3.8368 3.8471 3.8809 3.8943 4.6804 4.6904 4.6914 4.6981 7.3845 7.4010 7.5047 7.5369 7.6162 7.6235 7.6367 7.6560 7.8744 7.9054 8.0229 8.0378 8.6109 8.6115 k = 0.4750-0.0000 0.2032 ( 12568 PWs) bands (ev): -9.1089 -9.1088 -9.1085 -9.1082 -8.9784 -8.9784 -8.9780 -8.9779 -7.7187 -7.7165 -7.7156 -7.7147 -7.5054 -7.5037 -7.5020 -7.5013 -3.7743 -3.7743 -3.7735 -3.7719 -3.5373 -3.5369 -3.5368 -3.5349 -0.0986 -0.0984 -0.0866 -0.0848 0.2114 0.2117 0.2182 0.2185 0.8855 0.8889 0.8927 0.8946 1.2266 1.2286 1.2459 1.2481 1.9311 1.9549 1.9789 2.0053 2.2229 2.2271 2.2596 2.2661 2.9272 2.9337 2.9575 2.9689 3.2572 3.2733 3.2982 3.3189 3.4481 3.4623 3.4715 3.4839 3.6308 3.6621 3.7139 3.7394 3.8397 3.8469 3.8836 3.8927 4.6893 4.6961 4.6998 4.7043 7.4042 7.4225 7.4867 7.5161 7.6105 7.6173 7.6336 7.6450 7.8907 7.9178 7.9904 8.0071 8.6066 8.6070 k = 0.4875-0.0000 0.2032 ( 12560 PWs) bands (ev): -9.1058 -9.1057 -9.1056 -9.1054 -8.9768 -8.9768 -8.9767 -8.9766 -7.6910 -7.6896 -7.6882 -7.6876 -7.5318 -7.5306 -7.5285 -7.5280 -3.7314 -3.7312 -3.7306 -3.7295 -3.5870 -3.5865 -3.5861 -3.5844 -0.1012 -0.1010 -0.0885 -0.0876 0.2066 0.2068 0.2137 0.2139 0.8901 0.8931 0.8938 0.8960 1.2292 1.2314 1.2387 1.2412 1.9339 1.9459 1.9828 1.9959 2.2313 2.2331 2.2499 2.2532 2.9278 2.9361 2.9432 2.9539 3.2586 3.2668 3.3000 3.3104 3.4501 3.4574 3.4735 3.4798 3.6395 3.6552 3.7201 3.7331 3.8424 3.8460 3.8862 3.8908 4.6955 4.6989 4.7054 4.7076 7.4249 7.4453 7.4668 7.4930 7.6084 7.6124 7.6322 7.6374 7.9109 7.9348 7.9609 7.9797 8.6040 8.6042 k = 0.5000-0.0000 0.2032 ( 12572 PWs) bands (ev): -9.1048 -9.1048 -9.1046 -9.1046 -8.9763 -8.9763 -8.9762 -8.9762 -7.6788 -7.6788 -7.6764 -7.6764 -7.5425 -7.5425 -7.5395 -7.5395 -3.7072 -3.7072 -3.7071 -3.7071 -3.6127 -3.6127 -3.6107 -3.6107 -0.1020 -0.1020 -0.0889 -0.0889 0.2051 0.2051 0.2123 0.2123 0.8929 0.8929 0.8955 0.8955 1.2332 1.2332 1.2356 1.2356 1.9389 1.9389 1.9885 1.9885 2.2409 2.2409 2.2415 2.2415 2.9333 2.9333 2.9430 2.9430 3.2618 3.2618 3.3041 3.3041 3.4533 3.4533 3.4763 3.4763 3.6477 3.6477 3.7267 3.7267 3.8445 3.8445 3.8887 3.8887 4.6987 4.6987 4.7080 4.7080 7.4459 7.4459 7.4690 7.4690 7.6092 7.6092 7.6333 7.6333 7.9343 7.9343 7.9555 7.9555 8.6032 8.6032 k = 0.5000-0.0000 0.2032 ( 12572 PWs) bands (ev): -9.1048 -9.1048 -9.1046 -9.1046 -8.9763 -8.9763 -8.9762 -8.9762 -7.6788 -7.6788 -7.6764 -7.6764 -7.5425 -7.5425 -7.5395 -7.5395 -3.7072 -3.7072 -3.7071 -3.7071 -3.6127 -3.6127 -3.6107 -3.6107 -0.1020 -0.1020 -0.0889 -0.0889 0.2051 0.2051 0.2123 0.2123 0.8929 0.8929 0.8955 0.8955 1.2332 1.2332 1.2356 1.2356 1.9389 1.9389 1.9885 1.9885 2.2409 2.2409 2.2415 2.2415 2.9333 2.9333 2.9430 2.9430 3.2618 3.2618 3.3041 3.3041 3.4533 3.4533 3.4763 3.4763 3.6477 3.6477 3.7267 3.7267 3.8445 3.8445 3.8887 3.8887 4.6987 4.6987 4.7080 4.7080 7.4459 7.4459 7.4690 7.4690 7.6092 7.6092 7.6333 7.6333 7.9343 7.9343 7.9555 7.9555 8.6032 8.6032 k = 0.5000 0.0121 0.2032 ( 12564 PWs) bands (ev): -9.1046 -9.1046 -9.1044 -9.1044 -8.9765 -8.9765 -8.9764 -8.9764 -7.6786 -7.6786 -7.6762 -7.6762 -7.5427 -7.5427 -7.5398 -7.5398 -3.7071 -3.7071 -3.7069 -3.7069 -3.6128 -3.6128 -3.6109 -3.6109 -0.1019 -0.1019 -0.0887 -0.0887 0.2044 0.2044 0.2118 0.2118 0.8937 0.8937 0.8966 0.8966 1.2332 1.2332 1.2360 1.2360 1.9404 1.9404 1.9910 1.9910 2.2389 2.2389 2.2472 2.2472 2.9303 2.9303 2.9411 2.9411 3.2537 3.2537 3.2942 3.2942 3.4602 3.4602 3.4818 3.4818 3.6473 3.6473 3.7274 3.7274 3.8440 3.8440 3.8887 3.8887 4.6961 4.6961 4.7056 4.7056 7.4455 7.4455 7.4699 7.4699 7.6084 7.6084 7.6354 7.6354 7.9383 7.9383 7.9602 7.9602 8.6039 8.6039 k = 0.5000 0.0241 0.2032 ( 12568 PWs) bands (ev): -9.1040 -9.1040 -9.1038 -9.1038 -8.9771 -8.9771 -8.9770 -8.9770 -7.6780 -7.6780 -7.6756 -7.6756 -7.5434 -7.5434 -7.5404 -7.5404 -3.7069 -3.7069 -3.7065 -3.7065 -3.6133 -3.6133 -3.6113 -3.6113 -0.1015 -0.1015 -0.0882 -0.0882 0.2023 0.2023 0.2102 0.2102 0.8963 0.8963 0.8998 0.8998 1.2335 1.2335 1.2371 1.2371 1.9448 1.9448 1.9983 1.9983 2.2403 2.2403 2.2570 2.2570 2.9218 2.9218 2.9356 2.9356 3.2322 3.2322 3.2697 3.2697 3.4762 3.4762 3.4956 3.4956 3.6464 3.6464 3.7296 3.7296 3.8424 3.8424 3.8890 3.8890 4.6885 4.6885 4.6985 4.6985 7.4445 7.4445 7.4725 7.4725 7.6072 7.6072 7.6405 7.6405 7.9502 7.9502 7.9740 7.9740 8.6060 8.6060 k = 0.5000 0.0362 0.2032 ( 12568 PWs) bands (ev): -9.1030 -9.1030 -9.1028 -9.1028 -8.9781 -8.9781 -8.9780 -8.9780 -7.6771 -7.6771 -7.6746 -7.6746 -7.5445 -7.5445 -7.5415 -7.5415 -3.7064 -3.7064 -3.7058 -3.7058 -3.6140 -3.6140 -3.6121 -3.6121 -0.1009 -0.1009 -0.0875 -0.0875 0.1989 0.1989 0.2075 0.2075 0.9006 0.9006 0.9050 0.9050 1.2344 1.2344 1.2389 1.2389 1.9522 1.9522 2.0101 2.0101 2.2450 2.2450 2.2702 2.2702 2.9081 2.9081 2.9263 2.9263 3.2025 3.2025 3.2379 3.2379 3.4940 3.4940 3.5120 3.5120 3.6448 3.6448 3.7334 3.7334 3.8398 3.8398 3.8899 3.8899 4.6759 4.6759 4.6869 4.6869 7.4440 7.4440 7.4764 7.4764 7.6071 7.6071 7.6471 7.6471 7.9703 7.9703 7.9960 7.9960 8.6093 8.6093 k = 0.5000 0.0483 0.2032 ( 12560 PWs) bands (ev): -9.1017 -9.1017 -9.1015 -9.1015 -8.9795 -8.9795 -8.9794 -8.9794 -7.6757 -7.6757 -7.6732 -7.6732 -7.5460 -7.5460 -7.5430 -7.5430 -3.7056 -3.7056 -3.7049 -3.7049 -3.6150 -3.6150 -3.6131 -3.6131 -0.1000 -0.1000 -0.0863 -0.0863 0.1942 0.1942 0.2037 0.2037 0.9068 0.9068 0.9122 0.9122 1.2360 1.2360 1.2415 1.2415 1.9622 1.9622 2.0255 2.0255 2.2525 2.2525 2.2865 2.2865 2.8898 2.8898 2.9135 2.9135 3.1691 3.1691 3.2038 3.2038 3.5089 3.5089 3.5267 3.5267 3.6426 3.6426 3.7390 3.7390 3.8366 3.8366 3.8916 3.8916 4.6588 4.6588 4.6709 4.6709 7.4449 7.4449 7.4814 7.4814 7.6092 7.6092 7.6545 7.6545 7.9983 7.9983 8.0251 8.0251 8.6132 8.6132 k = 0.5000 0.0603 0.2032 ( 12560 PWs) bands (ev): -9.1000 -9.1000 -9.0998 -9.0998 -8.9813 -8.9813 -8.9811 -8.9811 -7.6739 -7.6739 -7.6715 -7.6715 -7.5479 -7.5479 -7.5450 -7.5450 -3.7047 -3.7047 -3.7038 -3.7038 -3.6164 -3.6164 -3.6143 -3.6143 -0.0987 -0.0987 -0.0849 -0.0849 0.1883 0.1883 0.1988 0.1988 0.9150 0.9150 0.9215 0.9215 1.2385 1.2385 1.2449 1.2449 1.9747 1.9747 2.0437 2.0437 2.2621 2.2621 2.3051 2.3051 2.8676 2.8676 2.8978 2.8978 3.1349 3.1349 3.1699 3.1699 3.5183 3.5183 3.5369 3.5369 3.6399 3.6399 3.7453 3.7453 3.8335 3.8335 3.8947 3.8947 4.6375 4.6375 4.6509 4.6509 7.4477 7.4477 7.4877 7.4877 7.6137 7.6137 7.6628 7.6628 8.0333 8.0333 8.0603 8.0603 8.6170 8.6170 k = 0.5000 0.0724 0.2032 ( 12548 PWs) bands (ev): -9.0980 -9.0980 -9.0977 -9.0977 -8.9835 -8.9835 -8.9833 -8.9833 -7.6718 -7.6718 -7.6693 -7.6693 -7.5502 -7.5502 -7.5473 -7.5473 -3.7035 -3.7035 -3.7024 -3.7024 -3.6179 -3.6179 -3.6159 -3.6159 -0.0972 -0.0972 -0.0831 -0.0831 0.1813 0.1813 0.1926 0.1926 0.9251 0.9251 0.9328 0.9328 1.2422 1.2422 1.2494 1.2494 1.9889 1.9889 2.0637 2.0637 2.2730 2.2730 2.3253 2.3253 2.8427 2.8427 2.8798 2.8798 3.1026 3.1026 3.1381 3.1381 3.5212 3.5212 3.5413 3.5413 3.6362 3.6362 3.7502 3.7502 3.8325 3.8325 3.8997 3.8997 4.6125 4.6125 4.6273 4.6273 7.4529 7.4529 7.4956 7.4956 7.6210 7.6210 7.6721 7.6721 8.0742 8.0742 8.1007 8.1007 8.6201 8.6201 k = 0.5000 0.0845 0.2032 ( 12548 PWs) bands (ev): -9.0956 -9.0956 -9.0953 -9.0953 -8.9860 -8.9860 -8.9858 -8.9858 -7.6693 -7.6693 -7.6668 -7.6668 -7.5530 -7.5530 -7.5501 -7.5501 -3.7021 -3.7021 -3.7008 -3.7008 -3.6198 -3.6198 -3.6177 -3.6177 -0.0953 -0.0953 -0.0810 -0.0810 0.1731 0.1731 0.1853 0.1853 0.9373 0.9373 0.9462 0.9462 1.2470 1.2470 1.2549 1.2549 2.0042 2.0042 2.0844 2.0844 2.2842 2.2842 2.3456 2.3456 2.8168 2.8168 2.8605 2.8605 3.0740 3.0740 3.1096 3.1096 3.5177 3.5177 3.5393 3.5393 3.6311 3.6311 3.7502 3.7502 3.8363 3.8363 3.9067 3.9067 4.5841 4.5841 4.6005 4.6005 7.4608 7.4608 7.5054 7.5054 7.6312 7.6312 7.6829 7.6829 8.1198 8.1198 8.1450 8.1450 8.6222 8.6222 k = 0.5000 0.0965 0.2032 ( 12548 PWs) bands (ev): -9.0929 -9.0929 -9.0926 -9.0926 -8.9889 -8.9889 -8.9886 -8.9886 -7.6664 -7.6664 -7.6640 -7.6640 -7.5561 -7.5561 -7.5532 -7.5532 -3.7004 -3.7004 -3.6991 -3.6991 -3.6218 -3.6218 -3.6197 -3.6197 -0.0930 -0.0930 -0.0785 -0.0785 0.1640 0.1640 0.1770 0.1770 0.9514 0.9514 0.9615 0.9615 1.2529 1.2529 1.2616 1.2616 2.0198 2.0198 2.1044 2.1044 2.2947 2.2947 2.3645 2.3645 2.7920 2.7920 2.8412 2.8412 3.0507 3.0507 3.0855 3.0855 3.5083 3.5083 3.5310 3.5310 3.6236 3.6236 3.7428 3.7428 3.8463 3.8463 3.9160 3.9160 4.5530 4.5530 4.5710 4.5710 7.4714 7.4714 7.5171 7.5171 7.6442 7.6442 7.6953 7.6953 8.1684 8.1684 8.1922 8.1922 8.6229 8.6229 k = 0.5000 0.1086 0.2032 ( 12556 PWs) bands (ev): -9.0898 -9.0898 -9.0895 -9.0895 -8.9921 -8.9921 -8.9918 -8.9918 -7.6633 -7.6633 -7.6608 -7.6608 -7.5595 -7.5595 -7.5566 -7.5566 -3.6986 -3.6986 -3.6971 -3.6971 -3.6241 -3.6241 -3.6219 -3.6219 -0.0903 -0.0903 -0.0756 -0.0756 0.1541 0.1541 0.1676 0.1676 0.9675 0.9675 0.9788 0.9788 1.2599 1.2599 1.2692 1.2692 2.0349 2.0349 2.1224 2.1224 2.3034 2.3034 2.3796 2.3796 2.7710 2.7710 2.8235 2.8235 3.0341 3.0341 3.0668 3.0668 3.4937 3.4937 3.5170 3.5170 3.6132 3.6132 3.7286 3.7286 3.8614 3.8614 3.9273 3.9273 4.5197 4.5197 4.5393 4.5393 7.4847 7.4847 7.5307 7.5307 7.6598 7.6598 7.7094 7.7094 8.2183 8.2183 8.2410 8.2410 8.6225 8.6225 k = 0.5000 0.1207 0.2032 ( 12568 PWs) bands (ev): -9.0865 -9.0865 -9.0861 -9.0861 -8.9955 -8.9955 -8.9952 -8.9952 -7.6598 -7.6598 -7.6573 -7.6573 -7.5632 -7.5632 -7.5604 -7.5604 -3.6966 -3.6966 -3.6950 -3.6950 -3.6266 -3.6266 -3.6244 -3.6244 -0.0872 -0.0872 -0.0724 -0.0724 0.1434 0.1434 0.1574 0.1574 0.9855 0.9855 0.9980 0.9980 1.2676 1.2676 1.2776 1.2776 2.0488 2.0488 2.1369 2.1369 2.3093 2.3093 2.3884 2.3884 2.7570 2.7570 2.8093 2.8093 3.0248 3.0248 3.0546 3.0546 3.4746 3.4746 3.4977 3.4977 3.5993 3.5993 3.7091 3.7091 3.8796 3.8796 3.9406 3.9406 4.4848 4.4848 4.5059 4.5059 7.5004 7.5004 7.5459 7.5459 7.6779 7.6779 7.7252 7.7252 8.2675 8.2675 8.2903 8.2903 8.6216 8.6216 k = 0.5000 0.1327 0.2032 ( 12568 PWs) bands (ev): -9.0829 -9.0829 -9.0825 -9.0825 -8.9993 -8.9993 -8.9990 -8.9990 -7.6560 -7.6560 -7.6535 -7.6535 -7.5673 -7.5673 -7.5644 -7.5644 -3.6944 -3.6944 -3.6927 -3.6927 -3.6292 -3.6292 -3.6269 -3.6269 -0.0836 -0.0836 -0.0688 -0.0688 0.1322 0.1322 0.1465 0.1465 1.0051 1.0051 1.0187 1.0187 1.2758 1.2758 1.2864 1.2864 2.0608 2.0608 2.1470 2.1470 2.3116 2.3116 2.3887 2.3887 2.7524 2.7524 2.8008 2.8008 3.0226 3.0226 3.0502 3.0502 3.4516 3.4516 3.4738 3.4738 3.5817 3.5817 3.6852 3.6852 3.8997 3.8997 3.9557 3.9557 4.4486 4.4486 4.4712 4.4712 7.5183 7.5183 7.5624 7.5624 7.6979 7.6979 7.7422 7.7422 8.3141 8.3141 8.3387 8.3387 8.6213 8.6213 k = 0.5000 0.1448 0.2032 ( 12556 PWs) bands (ev): -9.0790 -9.0790 -9.0786 -9.0786 -9.0033 -9.0033 -9.0030 -9.0030 -7.6519 -7.6519 -7.6494 -7.6494 -7.5716 -7.5716 -7.5688 -7.5688 -3.6921 -3.6921 -3.6904 -3.6904 -3.6319 -3.6319 -3.6297 -3.6297 -0.0795 -0.0795 -0.0649 -0.0649 0.1208 0.1208 0.1352 0.1352 1.0263 1.0263 1.0407 1.0407 1.2838 1.2838 1.2951 1.2951 2.0707 2.0707 2.1524 2.1524 2.3095 2.3095 2.3798 2.3798 2.7581 2.7581 2.8003 2.8003 3.0264 3.0264 3.0546 3.0546 3.4253 3.4253 3.4458 3.4458 3.5605 3.5605 3.6576 3.6576 3.9210 3.9210 3.9723 3.9723 4.4118 4.4118 4.4358 4.4358 7.5379 7.5379 7.5800 7.5800 7.7192 7.7192 7.7597 7.7597 8.3561 8.3561 8.3843 8.3843 8.6230 8.6230 k = 0.5000 0.1568 0.2032 ( 12552 PWs) bands (ev): -9.0749 -9.0749 -9.0745 -9.0745 -9.0076 -9.0076 -9.0072 -9.0072 -7.6476 -7.6476 -7.6451 -7.6451 -7.5762 -7.5762 -7.5734 -7.5734 -3.6897 -3.6897 -3.6879 -3.6879 -3.6346 -3.6346 -3.6325 -3.6325 -0.0749 -0.0749 -0.0606 -0.0606 0.1093 0.1093 0.1236 0.1236 1.0485 1.0485 1.0637 1.0637 1.2912 1.2912 1.3031 1.3031 2.0788 2.0788 2.1535 2.1535 2.3024 2.3024 2.3627 2.3627 2.7728 2.7728 2.8092 2.8092 3.0349 3.0349 3.0680 3.0680 3.3963 3.3963 3.4144 3.4144 3.5360 3.5360 3.6268 3.6268 3.9432 3.9432 3.9905 3.9905 4.3749 4.3749 4.4000 4.4000 7.5587 7.5587 7.5979 7.5979 7.7407 7.7407 7.7771 7.7771 8.3927 8.3927 8.4249 8.4249 8.6282 8.6282 k = 0.5000 0.1689 0.2032 ( 12576 PWs) bands (ev): -9.0706 -9.0706 -9.0702 -9.0702 -9.0120 -9.0120 -9.0116 -9.0116 -7.6431 -7.6431 -7.6405 -7.6405 -7.5809 -7.5809 -7.5781 -7.5781 -3.6872 -3.6872 -3.6854 -3.6854 -3.6374 -3.6374 -3.6353 -3.6353 -0.0700 -0.0700 -0.0561 -0.0561 0.0981 0.0981 0.1120 0.1120 1.0715 1.0715 1.0870 1.0870 1.2974 1.2974 1.3098 1.3098 2.0856 2.0856 2.1518 2.1518 2.2902 2.2902 2.3397 2.3397 2.7945 2.7945 2.8281 2.8281 3.0477 3.0477 3.0889 3.0889 3.3657 3.3657 3.3804 3.3804 3.5086 3.5086 3.5932 3.5932 3.9663 3.9663 4.0100 4.0100 4.3381 4.3381 4.3643 4.3643 7.5799 7.5799 7.6157 7.6157 7.7616 7.7616 7.7934 7.7934 8.4237 8.4237 8.4584 8.4584 8.6384 8.6384 k = 0.5000 0.1810 0.2032 ( 12580 PWs) bands (ev): -9.0661 -9.0661 -9.0657 -9.0657 -9.0166 -9.0166 -9.0162 -9.0162 -7.6383 -7.6383 -7.6358 -7.6358 -7.5858 -7.5858 -7.5831 -7.5831 -3.6847 -3.6847 -3.6829 -3.6829 -3.6402 -3.6402 -3.6382 -3.6382 -0.0647 -0.0647 -0.0517 -0.0517 0.0875 0.0875 0.1006 0.1006 1.0946 1.0946 1.1101 1.1101 1.3019 1.3019 1.3145 1.3145 2.0921 2.0921 2.1490 2.1490 2.2738 2.2738 2.3132 2.3132 2.8215 2.8215 2.8555 2.8555 3.0633 3.0633 3.1148 3.1148 3.3348 3.3348 3.3453 3.3453 3.4787 3.4787 3.5570 3.5570 3.9902 3.9902 4.0307 4.0307 4.3020 4.3020 4.3291 4.3291 7.6009 7.6009 7.6326 7.6326 7.7807 7.7807 7.8077 7.8077 8.4499 8.4499 8.4840 8.4840 8.6530 8.6530 k = 0.5000 0.1930 0.2032 ( 12580 PWs) bands (ev): -9.0615 -9.0615 -9.0610 -9.0610 -9.0213 -9.0213 -9.0209 -9.0209 -7.6334 -7.6334 -7.6309 -7.6309 -7.5909 -7.5909 -7.5882 -7.5882 -3.6822 -3.6822 -3.6805 -3.6805 -3.6428 -3.6428 -3.6409 -3.6409 -0.0592 -0.0592 -0.0474 -0.0474 0.0780 0.0780 0.0899 0.0899 1.1171 1.1171 1.1320 1.1320 1.3045 1.3045 1.3169 1.3169 2.0994 2.0994 2.1469 2.1469 2.2545 2.2545 2.2854 2.2854 2.8527 2.8527 2.8886 2.8886 3.0791 3.0791 3.1420 3.1420 3.3047 3.3047 3.3140 3.3140 3.4470 3.4470 3.5189 3.5189 4.0149 4.0149 4.0527 4.0527 4.2669 4.2669 4.2947 4.2947 7.6208 7.6208 7.6477 7.6477 7.7972 7.7972 7.8192 7.8192 8.4723 8.4723 8.5028 8.5028 8.6697 8.6697 k = 0.5000 0.2051 0.2032 ( 12588 PWs) bands (ev): -9.0567 -9.0567 -9.0563 -9.0563 -9.0261 -9.0261 -9.0257 -9.0257 -7.6284 -7.6284 -7.6258 -7.6258 -7.5960 -7.5960 -7.5934 -7.5934 -3.6799 -3.6799 -3.6784 -3.6784 -3.6450 -3.6450 -3.6434 -3.6434 -0.0537 -0.0537 -0.0438 -0.0438 0.0702 0.0702 0.0802 0.0802 1.1380 1.1380 1.1513 1.1513 1.3054 1.3054 1.3167 1.3167 2.1082 2.1082 2.1467 2.1467 2.2340 2.2340 2.2582 2.2582 2.8869 2.8869 2.9241 2.9241 3.0910 3.0910 3.1627 3.1627 3.2786 3.2786 3.2948 3.2948 3.4144 3.4144 3.4793 3.4793 4.0404 4.0404 4.0755 4.0755 4.2335 4.2335 4.2615 4.2615 7.6388 7.6388 7.6600 7.6600 7.8106 7.8106 7.8274 7.8274 8.4919 8.4919 8.5164 8.5164 8.6856 8.6856 k = 0.5000 0.2172 0.2032 ( 12596 PWs) bands (ev): -9.0520 -9.0520 -9.0516 -9.0516 -9.0309 -9.0309 -9.0305 -9.0305 -7.6233 -7.6233 -7.6208 -7.6208 -7.6012 -7.6012 -7.5986 -7.5986 -3.6779 -3.6779 -3.6768 -3.6768 -3.6468 -3.6468 -3.6456 -3.6456 -0.0487 -0.0487 -0.0414 -0.0414 0.0646 0.0646 0.0720 0.0720 1.1559 1.1559 1.1663 1.1663 1.3053 1.3053 1.3143 1.3143 2.1192 2.1192 2.1484 2.1484 2.2147 2.2147 2.2334 2.2334 2.9220 2.9220 2.9574 2.9574 3.0955 3.0955 3.1619 3.1619 3.2710 3.2710 3.2935 3.2935 3.3825 3.3825 3.4391 3.4391 4.0664 4.0664 4.0980 4.0980 4.2029 4.2029 4.2300 4.2300 7.6538 7.6538 7.6686 7.6686 7.8208 7.8208 7.8322 7.8322 8.5085 8.5085 8.5257 8.5257 8.6986 8.6986 k = 0.5000 0.2292 0.2032 ( 12580 PWs) bands (ev): -9.0474 -9.0474 -9.0470 -9.0470 -9.0355 -9.0355 -9.0351 -9.0351 -7.6183 -7.6183 -7.6160 -7.6160 -7.6060 -7.6060 -7.6037 -7.6037 -3.6764 -3.6764 -3.6758 -3.6758 -3.6479 -3.6479 -3.6472 -3.6472 -0.0444 -0.0444 -0.0405 -0.0405 0.0619 0.0619 0.0659 0.0659 1.1693 1.1693 1.1752 1.1752 1.3056 1.3056 1.3108 1.3108 2.1319 2.1319 2.1494 2.1494 2.2011 2.2011 2.2130 2.2130 2.9545 2.9545 2.9793 2.9793 3.0977 3.0977 3.1390 3.1390 3.2834 3.2834 3.3070 3.3070 3.3577 3.3577 3.3997 3.3997 4.0921 4.0921 4.1158 4.1158 4.1799 4.1799 4.2014 4.2014 7.6649 7.6649 7.6726 7.6726 7.8280 7.8280 7.8337 7.8337 8.5212 8.5212 8.5301 8.5301 8.7086 8.7086 k = 0.5000 0.2413 0.2032 ( 12600 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0381 -9.0381 -9.0381 -9.0381 -7.6143 -7.6143 -7.6143 -7.6143 -7.6077 -7.6077 -7.6077 -7.6077 -3.6757 -3.6757 -3.6757 -3.6757 -3.6480 -3.6480 -3.6480 -3.6480 -0.0416 -0.0416 -0.0416 -0.0416 0.0623 0.0623 0.0623 0.0623 1.1762 1.1762 1.1762 1.1762 1.3074 1.3074 1.3074 1.3074 2.1438 2.1438 2.1438 2.1438 2.2005 2.2005 2.2005 2.2005 2.9775 2.9775 2.9775 2.9775 3.1124 3.1124 3.1124 3.1124 3.3029 3.3029 3.3029 3.3029 3.3656 3.3656 3.3656 3.3656 4.1134 4.1134 4.1134 4.1134 4.1798 4.1798 4.1798 4.1798 7.6714 7.6714 7.6714 7.6714 7.8322 7.8322 7.8322 7.8322 8.5287 8.5287 8.5287 8.5287 8.7160 8.7160 k = 0.5000 0.2413 0.2032 ( 12600 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0381 -9.0381 -9.0381 -9.0381 -7.6143 -7.6143 -7.6143 -7.6143 -7.6077 -7.6077 -7.6077 -7.6077 -3.6757 -3.6757 -3.6757 -3.6757 -3.6480 -3.6480 -3.6480 -3.6480 -0.0416 -0.0416 -0.0416 -0.0416 0.0623 0.0623 0.0623 0.0623 1.1762 1.1762 1.1762 1.1762 1.3074 1.3074 1.3074 1.3074 2.1438 2.1438 2.1438 2.1438 2.2005 2.2005 2.2005 2.2005 2.9775 2.9775 2.9775 2.9775 3.1124 3.1124 3.1124 3.1124 3.3029 3.3029 3.3029 3.3029 3.3656 3.3656 3.3656 3.3656 4.1134 4.1134 4.1134 4.1134 4.1798 4.1798 4.1798 4.1798 7.6714 7.6714 7.6714 7.6714 7.8322 7.8322 7.8322 7.8322 8.5287 8.5287 8.5287 8.5287 8.7160 8.7160 k = 0.4875 0.2413 0.2032 ( 12584 PWs) bands (ev): -9.0453 -9.0453 -9.0451 -9.0451 -9.0389 -9.0389 -9.0386 -9.0386 -7.6573 -7.6573 -7.6509 -7.6509 -7.5714 -7.5714 -7.5649 -7.5649 -3.7253 -3.7253 -3.6989 -3.6989 -3.6237 -3.6237 -3.5950 -3.5950 -0.0580 -0.0580 -0.0228 -0.0228 0.0414 0.0414 0.0855 0.0855 1.1591 1.1591 1.1920 1.1920 1.2983 1.2983 1.3174 1.3174 2.1251 2.1251 2.1351 2.1351 2.2030 2.2030 2.2336 2.2336 2.9625 2.9625 2.9887 2.9887 3.0998 3.0998 3.1180 3.1180 3.2937 3.2937 3.3130 3.3130 3.3587 3.3587 3.3810 3.3810 4.1008 4.1008 4.1227 4.1227 4.1762 4.1762 4.1908 4.1908 7.6586 7.6586 7.6790 7.6790 7.8283 7.8283 7.8418 7.8418 8.5270 8.5270 8.5289 8.5289 8.7132 8.7132 k = 0.4750 0.2413 0.2032 ( 12588 PWs) bands (ev): -9.0475 -9.0475 -9.0472 -9.0472 -9.0412 -9.0412 -9.0407 -9.0407 -7.7003 -7.7003 -7.6939 -7.6939 -7.5290 -7.5290 -7.5225 -7.5225 -3.7725 -3.7725 -3.7474 -3.7474 -3.5698 -3.5698 -3.5400 -3.5400 -0.0719 -0.0719 -0.0019 -0.0019 0.0231 0.0231 0.1109 0.1109 1.1410 1.1410 1.2058 1.2058 1.2908 1.2908 1.3283 1.3283 2.1035 2.1035 2.1081 2.1081 2.2327 2.2327 2.2771 2.2771 2.9455 2.9455 2.9942 2.9942 3.0829 3.0829 3.1148 3.1148 3.2891 3.2891 3.3194 3.3194 3.3654 3.3654 3.4000 3.4000 4.0884 4.0884 4.1249 4.1249 4.1838 4.1838 4.2058 4.2058 7.6426 7.6426 7.6801 7.6801 7.8315 7.8315 7.8551 7.8551 8.5238 8.5238 8.5276 8.5276 8.7103 8.7103 k = 0.4625 0.2413 0.2032 ( 12576 PWs) bands (ev): -9.0511 -9.0511 -9.0508 -9.0508 -9.0449 -9.0449 -9.0442 -9.0442 -7.7431 -7.7431 -7.7368 -7.7368 -7.4873 -7.4873 -7.4807 -7.4807 -3.8171 -3.8171 -3.7934 -3.7934 -3.5141 -3.5141 -3.4833 -3.4833 -0.0834 -0.0834 0.0052 0.0052 0.0234 0.0234 0.1384 0.1384 1.1218 1.1218 1.2155 1.2155 1.2871 1.2871 1.3405 1.3405 2.0788 2.0788 2.0881 2.0881 2.2693 2.2693 2.3250 2.3250 2.9277 2.9277 2.9925 2.9925 3.0637 3.0637 3.1034 3.1034 3.2892 3.2892 3.3263 3.3263 3.3819 3.3819 3.4202 3.4202 4.0776 4.0776 4.1221 4.1221 4.2003 4.2003 4.2234 4.2234 7.6248 7.6248 7.6747 7.6747 7.8413 7.8413 7.8704 7.8704 8.5192 8.5192 8.5248 8.5248 8.7074 8.7074 k = 0.4500 0.2413 0.2032 ( 12568 PWs) bands (ev): -9.0562 -9.0562 -9.0556 -9.0556 -9.0498 -9.0498 -9.0493 -9.0493 -7.7855 -7.7855 -7.7792 -7.7792 -7.4465 -7.4465 -7.4398 -7.4398 -3.8591 -3.8591 -3.8366 -3.8366 -3.4567 -3.4567 -3.4250 -3.4250 -0.0924 -0.0924 -0.0082 -0.0082 0.0487 0.0487 0.1678 0.1678 1.1016 1.1016 1.2174 1.2174 1.2912 1.2912 1.3545 1.3545 2.0554 2.0554 2.0749 2.0749 2.3087 2.3087 2.3755 2.3755 2.9100 2.9100 2.9833 2.9833 3.0436 3.0436 3.0864 3.0864 3.2939 3.2939 3.3380 3.3380 3.4018 3.4018 3.4402 3.4402 4.0693 4.0693 4.1185 4.1185 4.2213 4.2213 4.2431 4.2431 7.6062 7.6062 7.6644 7.6644 7.8561 7.8561 7.8865 7.8865 8.5134 8.5134 8.5207 8.5207 8.7044 8.7044 k = 0.4375 0.2413 0.2032 ( 12568 PWs) bands (ev): -9.0630 -9.0630 -9.0616 -9.0616 -9.0563 -9.0563 -9.0556 -9.0556 -7.8274 -7.8274 -7.8211 -7.8211 -7.4068 -7.4068 -7.4001 -7.4001 -3.8981 -3.8981 -3.8771 -3.8771 -3.3979 -3.3979 -3.3654 -3.3654 -0.0989 -0.0989 -0.0197 -0.0197 0.0768 0.0768 0.1990 0.1990 1.0808 1.0808 1.2106 1.2106 1.3045 1.3045 1.3707 1.3707 2.0359 2.0359 2.0664 2.0664 2.3490 2.3490 2.4276 2.4276 2.8930 2.8930 2.9678 2.9678 3.0230 3.0230 3.0669 3.0669 3.3032 3.3032 3.3535 3.3535 3.4224 3.4224 3.4594 3.4594 4.0638 4.0638 4.1163 4.1163 4.2447 4.2447 4.2646 4.2646 7.5873 7.5873 7.6509 7.6509 7.8735 7.8735 7.9026 7.9026 8.5065 8.5065 8.5154 8.5154 8.7015 8.7015 k = 0.4250 0.2413 0.2032 ( 12568 PWs) bands (ev): -9.0713 -9.0713 -9.0687 -9.0687 -9.0645 -9.0645 -9.0629 -9.0629 -7.8684 -7.8684 -7.8621 -7.8621 -7.3684 -7.3684 -7.3616 -7.3616 -3.9342 -3.9342 -3.9147 -3.9147 -3.3379 -3.3379 -3.3047 -3.3047 -0.1029 -0.1029 -0.0287 -0.0287 0.1069 0.1069 0.2316 0.2316 1.0597 1.0597 1.1979 1.1979 1.3248 1.3248 1.3896 1.3896 2.0203 2.0203 2.0621 2.0621 2.3885 2.3885 2.4802 2.4802 2.8767 2.8767 2.9486 2.9486 3.0026 3.0026 3.0473 3.0473 3.3166 3.3166 3.3711 3.3711 3.4428 3.4428 3.4774 3.4774 4.0613 4.0613 4.1161 4.1161 4.2692 4.2692 4.2878 4.2878 7.5684 7.5684 7.6354 7.6354 7.8919 7.8919 7.9178 7.9178 8.4987 8.4987 8.5088 8.5088 8.6987 8.6987 k = 0.4125 0.2413 0.2032 ( 12576 PWs) bands (ev): -9.0811 -9.0811 -9.0769 -9.0769 -9.0743 -9.0743 -9.0711 -9.0711 -7.9085 -7.9085 -7.9023 -7.9023 -7.3316 -7.3316 -7.3248 -7.3248 -3.9673 -3.9673 -3.9492 -3.9492 -3.2769 -3.2769 -3.2432 -3.2432 -0.1042 -0.1042 -0.0352 -0.0352 0.1389 0.1389 0.2652 0.2652 1.0391 1.0391 1.1822 1.1822 1.3501 1.3501 1.4117 1.4117 2.0084 2.0084 2.0614 2.0614 2.4254 2.4254 2.5317 2.5317 2.8605 2.8605 2.9289 2.9289 2.9833 2.9833 3.0294 3.0294 3.3330 3.3330 3.3893 3.3893 3.4627 3.4627 3.4942 3.4942 4.0618 4.0618 4.1184 4.1184 4.2942 4.2942 4.3129 4.3129 7.5496 7.5496 7.6186 7.6186 7.9101 7.9101 7.9315 7.9315 8.4899 8.4899 8.5012 8.5012 8.6961 8.6961 k = 0.4000 0.2413 0.2032 ( 12568 PWs) bands (ev): -9.0925 -9.0925 -9.0865 -9.0865 -9.0851 -9.0851 -9.0803 -9.0803 -7.9476 -7.9476 -7.9414 -7.9414 -7.2966 -7.2966 -7.2896 -7.2896 -3.9972 -3.9972 -3.9806 -3.9806 -3.2152 -3.2152 -3.1811 -3.1811 -0.1029 -0.1029 -0.0390 -0.0390 0.1725 0.1725 0.2994 0.2994 1.0196 1.0196 1.1651 1.1651 1.3796 1.3796 1.4371 1.4371 1.9995 1.9995 2.0639 2.0639 2.4575 2.4575 2.5803 2.5803 2.8434 2.8434 2.9127 2.9127 2.9654 2.9654 3.0150 3.0150 3.3515 3.3515 3.4076 3.4076 3.4824 3.4824 3.5103 3.5103 4.0651 4.0651 4.1230 4.1230 4.3193 4.3193 4.3396 4.3396 7.5310 7.5310 7.6010 7.6010 7.9268 7.9268 7.9432 7.9432 8.4803 8.4803 8.4924 8.4924 8.6938 8.6938 k = 0.3875 0.2413 0.2032 ( 12552 PWs) bands (ev): -9.1053 -9.1053 -9.0988 -9.0988 -9.0955 -9.0955 -9.0903 -9.0903 -7.9854 -7.9854 -7.9793 -7.9793 -7.2634 -7.2634 -7.2564 -7.2564 -4.0239 -4.0239 -4.0088 -4.0088 -3.1530 -3.1530 -3.1186 -3.1186 -0.0989 -0.0989 -0.0401 -0.0401 0.2074 0.2074 0.3333 0.3333 1.0024 1.0024 1.1478 1.1478 1.4131 1.4131 1.4663 1.4663 1.9933 1.9933 2.0689 2.0689 2.4826 2.4826 2.6226 2.6226 2.8263 2.8263 2.9031 2.9031 2.9495 2.9495 3.0056 3.0056 3.3714 3.3714 3.4256 3.4256 3.5022 3.5022 3.5260 3.5260 4.0711 4.0711 4.1300 4.1300 4.3443 4.3443 4.3676 4.3676 7.5126 7.5126 7.5827 7.5827 7.9411 7.9411 7.9524 7.9524 8.4697 8.4697 8.4823 8.4823 8.6921 8.6921 k = 0.3750 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.1196 -9.1196 -9.1131 -9.1131 -9.1063 -9.1063 -9.1012 -9.1012 -8.0220 -8.0220 -8.0160 -8.0160 -7.2323 -7.2323 -7.2252 -7.2252 -4.0475 -4.0475 -4.0339 -4.0339 -3.0907 -3.0907 -3.0561 -3.0561 -0.0921 -0.0921 -0.0382 -0.0382 0.2430 0.2430 0.3661 0.3661 0.9887 0.9887 1.1313 1.1313 1.4506 1.4506 1.4994 1.4994 1.9891 1.9891 2.0759 2.0759 2.4989 2.4989 2.6522 2.6522 2.8144 2.8144 2.9008 2.9008 2.9359 2.9359 3.0023 3.0023 3.3922 3.3922 3.4437 3.4437 3.5222 3.5222 3.5421 3.5421 4.0793 4.0793 4.1390 4.1390 4.3692 4.3692 4.3964 4.3964 7.4944 7.4944 7.5639 7.5639 7.9517 7.9517 7.9593 7.9593 8.4577 8.4577 8.4708 8.4708 8.6911 8.6911 k = 0.3625 0.2413 0.2032 ( 12548 PWs) bands (ev): -9.1351 -9.1351 -9.1287 -9.1287 -9.1176 -9.1176 -9.1126 -9.1126 -8.0573 -8.0573 -8.0513 -8.0513 -7.2035 -7.2035 -7.1962 -7.1962 -4.0679 -4.0679 -4.0558 -4.0558 -3.0284 -3.0284 -2.9938 -2.9938 -0.0823 -0.0823 -0.0334 -0.0334 0.2789 0.2789 0.3966 0.3966 0.9798 0.9798 1.1166 1.1166 1.4919 1.4919 1.5365 1.5365 1.9869 1.9869 2.0845 2.0845 2.5053 2.5053 2.6610 2.6610 2.8155 2.8155 2.9045 2.9045 2.9252 2.9252 3.0057 3.0057 3.4141 3.4141 3.4622 3.4622 3.5430 3.5430 3.5592 3.5592 4.0893 4.0893 4.1498 4.1498 4.3939 4.3939 4.4256 4.4256 7.4764 7.4764 7.5447 7.5447 7.9564 7.9564 7.9649 7.9649 8.4439 8.4439 8.4576 8.4576 8.6910 8.6910 k = 0.3500 0.2413 0.2032 ( 12532 PWs) bands (ev): -9.1519 -9.1519 -9.1456 -9.1456 -9.1296 -9.1296 -9.1247 -9.1247 -8.0911 -8.0911 -8.0853 -8.0853 -7.1769 -7.1769 -7.1695 -7.1695 -4.0852 -4.0852 -4.0746 -4.0746 -2.9663 -2.9663 -2.9319 -2.9319 -0.0695 -0.0695 -0.0253 -0.0253 0.3145 0.3145 0.4236 0.4236 0.9773 0.9773 1.1046 1.1046 1.5371 1.5371 1.5775 1.5775 1.9863 1.9863 2.0944 2.0944 2.5023 2.5023 2.6488 2.6488 2.8290 2.8290 2.9081 2.9081 2.9223 2.9223 3.0156 3.0156 3.4372 3.4372 3.4820 3.4820 3.5646 3.5646 3.5782 3.5782 4.1008 4.1008 4.1620 4.1620 4.4183 4.4183 4.4547 4.4547 7.4587 7.4587 7.5252 7.5252 7.9552 7.9552 7.9682 7.9682 8.4276 8.4276 8.4424 8.4424 8.6917 8.6917 k = 0.3375 0.2413 0.2032 ( 12532 PWs) bands (ev): -9.1698 -9.1698 -9.1636 -9.1636 -9.1420 -9.1420 -9.1373 -9.1373 -8.1235 -8.1235 -8.1178 -8.1178 -7.1526 -7.1526 -7.1452 -7.1452 -4.0996 -4.0996 -4.0903 -4.0903 -2.9049 -2.9049 -2.8708 -2.8708 -0.0535 -0.0535 -0.0139 -0.0139 0.3489 0.3489 0.4459 0.4459 0.9823 0.9823 1.0964 1.0964 1.5860 1.5860 1.6226 1.6226 1.9874 1.9874 2.1054 2.1054 2.4912 2.4912 2.6244 2.6244 2.8456 2.8456 2.9029 2.9029 2.9348 2.9348 3.0303 3.0303 3.4620 3.4620 3.5036 3.5036 3.5875 3.5875 3.5995 3.5995 4.1132 4.1132 4.1754 4.1754 4.4421 4.4421 4.4833 4.4833 7.4412 7.4412 7.5055 7.5055 7.9494 7.9494 7.9678 7.9678 8.4083 8.4083 8.4249 8.4249 8.6929 8.6929 k = 0.3250 0.2413 0.2032 ( 12544 PWs) bands (ev): -9.1886 -9.1886 -9.1826 -9.1826 -9.1549 -9.1549 -9.1503 -9.1503 -8.1544 -8.1544 -8.1489 -8.1489 -7.1307 -7.1307 -7.1233 -7.1233 -4.1110 -4.1110 -4.1031 -4.1031 -2.8443 -2.8443 -2.8106 -2.8106 -0.0342 -0.0342 0.0009 0.0009 0.3814 0.3814 0.4627 0.4627 0.9958 0.9958 1.0928 1.0928 1.6386 1.6386 1.6713 1.6713 1.9903 1.9903 2.1175 2.1175 2.4741 2.4741 2.5948 2.5948 2.8591 2.8591 2.8965 2.8965 2.9527 2.9527 3.0472 3.0472 3.4891 3.4891 3.5277 3.5277 3.6119 3.6119 3.6237 3.6237 4.1264 4.1264 4.1896 4.1896 4.4650 4.4650 4.5110 4.5110 7.4241 7.4241 7.4859 7.4859 7.9392 7.9392 7.9629 7.9629 8.3853 8.3853 8.4044 8.4044 8.6943 8.6943 k = 0.3125 0.2413 0.2032 ( 12552 PWs) bands (ev): -9.2083 -9.2083 -9.2024 -9.2024 -9.1680 -9.1680 -9.1636 -9.1636 -8.1839 -8.1839 -8.1785 -8.1785 -7.1113 -7.1113 -7.1038 -7.1038 -4.1197 -4.1197 -4.1132 -4.1132 -2.7848 -2.7848 -2.7518 -2.7518 -0.0115 -0.0115 0.0194 0.0194 0.4110 0.4110 0.4737 0.4737 1.0179 1.0179 1.0947 1.0947 1.6944 1.6944 1.7237 1.7237 1.9955 1.9955 2.1307 2.1307 2.4528 2.4528 2.5634 2.5634 2.8685 2.8685 2.8912 2.8912 2.9707 2.9707 3.0637 3.0637 3.5190 3.5190 3.5548 3.5548 3.6380 3.6380 3.6505 3.6505 4.1399 4.1399 4.2044 4.2044 4.4869 4.4869 4.5373 4.5373 7.4072 7.4072 7.4664 7.4664 7.9248 7.9248 7.9536 7.9536 8.3581 8.3581 8.3806 8.3806 8.6950 8.6950 k = 0.3000 0.2413 0.2032 ( 12564 PWs) bands (ev): -9.2287 -9.2287 -9.2230 -9.2230 -9.1814 -9.1814 -9.1772 -9.1772 -8.2119 -8.2119 -8.2066 -8.2066 -7.0941 -7.0941 -7.0866 -7.0866 -4.1259 -4.1259 -4.1206 -4.1206 -2.7267 -2.7267 -2.6944 -2.6944 0.0147 0.0147 0.0416 0.0416 0.4369 0.4369 0.4797 0.4797 1.0478 1.0478 1.1031 1.1031 1.7530 1.7530 1.7791 1.7791 2.0033 2.0033 2.1452 2.1452 2.4289 2.4289 2.5319 2.5319 2.8730 2.8730 2.8888 2.8888 2.9859 2.9859 3.0776 3.0776 3.5519 3.5519 3.5849 3.5849 3.6662 3.6662 3.6799 3.6799 4.1537 4.1537 4.2196 4.2196 4.5072 4.5072 4.5618 4.5618 7.3906 7.3906 7.4471 7.4471 7.9064 7.9064 7.9400 7.9400 8.3264 8.3264 8.3528 8.3528 8.6941 8.6941 k = 0.2875 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.2496 -9.2496 -9.2441 -9.2441 -9.1949 -9.1949 -9.1909 -9.1909 -8.2384 -8.2384 -8.2334 -8.2334 -7.0793 -7.0793 -7.0718 -7.0718 -4.1297 -4.1297 -4.1256 -4.1256 -2.6702 -2.6702 -2.6389 -2.6389 0.0446 0.0446 0.0677 0.0677 0.4575 0.4575 0.4824 0.4824 1.0836 1.0836 1.1191 1.1191 1.8138 1.8138 1.8370 1.8370 2.0145 2.0145 2.1609 2.1609 2.4041 2.4041 2.5016 2.5016 2.8719 2.8719 2.8910 2.8910 2.9966 2.9966 3.0877 3.0877 3.5877 3.5877 3.6178 3.6178 3.6962 3.6962 3.7113 3.7113 4.1676 4.1676 4.2352 4.2352 4.5259 4.5259 4.5843 4.5843 7.3743 7.3743 7.4283 7.4283 7.8843 7.8843 7.9223 7.9223 8.2897 8.2897 8.3206 8.3206 8.6907 8.6907 k = 0.2750 0.2413 0.2032 ( 12548 PWs) bands (ev): -9.2709 -9.2709 -9.2656 -9.2656 -9.2086 -9.2086 -9.2047 -9.2047 -8.2636 -8.2636 -8.2587 -8.2587 -7.0667 -7.0667 -7.0592 -7.0592 -4.1315 -4.1315 -4.1284 -4.1284 -2.6155 -2.6155 -2.5853 -2.5853 0.0781 0.0781 0.0978 0.0978 0.4689 0.4689 0.4869 0.4869 1.1212 1.1212 1.1453 1.1453 1.8751 1.8751 1.8963 1.8963 2.0305 2.0305 2.1776 2.1776 2.3800 2.3800 2.4736 2.4736 2.8682 2.8682 2.8953 2.8953 3.0020 3.0020 3.0934 3.0934 3.6259 3.6259 3.6529 3.6529 3.7278 3.7278 3.7444 3.7444 4.1815 4.1815 4.2510 4.2510 4.5424 4.5424 4.6042 4.6042 7.3581 7.3581 7.4098 7.4098 7.8590 7.8590 7.9009 7.9009 8.2479 8.2479 8.2837 8.2837 8.6835 8.6835 k = 0.2625 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.2925 -9.2925 -9.2874 -9.2874 -9.2221 -9.2221 -9.2184 -9.2184 -8.2873 -8.2873 -8.2826 -8.2826 -7.0561 -7.0561 -7.0487 -7.0487 -4.1314 -4.1314 -4.1292 -4.1292 -2.5629 -2.5629 -2.5340 -2.5340 0.1153 0.1153 0.1319 0.1319 0.4690 0.4690 0.4966 0.4966 1.1555 1.1555 1.1849 1.1849 1.9339 1.9339 1.9554 1.9554 2.0544 2.0544 2.1945 2.1945 2.3588 2.3588 2.4494 2.4494 2.8643 2.8643 2.9001 2.9001 3.0023 3.0023 3.0945 3.0945 3.6656 3.6656 3.6894 3.6894 3.7603 3.7603 3.7787 3.7787 4.1955 4.1955 4.2670 4.2670 4.5566 4.5566 4.6213 4.6213 7.3418 7.3418 7.3916 7.3916 7.8308 7.8308 7.8763 7.8763 8.2011 8.2011 8.2421 8.2421 8.6717 8.6717 k = 0.2500 0.2413 0.2032 ( 12552 PWs) bands (ev): -9.3140 -9.3140 -9.3092 -9.3092 -9.2356 -9.2356 -9.2321 -9.2321 -8.3097 -8.3097 -8.3053 -8.3053 -7.0475 -7.0475 -7.0402 -7.0402 -4.1297 -4.1297 -4.1282 -4.1282 -2.5126 -2.5126 -2.4851 -2.4851 0.1562 0.1562 0.1700 0.1700 0.4649 0.4649 0.5055 0.5055 1.1901 1.1901 1.2325 1.2325 1.9831 1.9831 2.0126 2.0126 2.0913 2.0913 2.2093 2.2093 2.3446 2.3446 2.4308 2.4308 2.8611 2.8611 2.9049 2.9049 2.9979 2.9979 3.0916 3.0916 3.7059 3.7059 3.7264 3.7264 3.7931 3.7931 3.8135 3.8135 4.2097 4.2097 4.2833 4.2833 4.5684 4.5684 4.6354 4.6354 7.3248 7.3248 7.3734 7.3734 7.8003 7.8003 7.8492 7.8492 8.1496 8.1496 8.1962 8.1962 8.6543 8.6543 k = 0.2375 0.2413 0.2032 ( 12564 PWs) bands (ev): -9.3355 -9.3355 -9.3309 -9.3309 -9.2490 -9.2490 -9.2456 -9.2456 -8.3308 -8.3308 -8.3266 -8.3266 -7.0407 -7.0407 -7.0336 -7.0336 -4.1267 -4.1267 -4.1256 -4.1256 -2.4647 -2.4647 -2.4387 -2.4387 0.2005 0.2005 0.2121 0.2121 0.4602 0.4602 0.5119 0.5119 1.2278 1.2278 1.2830 1.2830 2.0181 2.0181 2.0654 2.0654 2.1425 2.1425 2.2186 2.2186 2.3438 2.3438 2.4209 2.4209 2.8589 2.8589 2.9090 2.9090 2.9901 2.9901 3.0852 3.0852 3.7452 3.7452 3.7629 3.7629 3.8255 3.8255 3.8483 3.8483 4.2242 4.2242 4.2999 4.2999 4.5775 4.5775 4.6462 4.6462 7.3068 7.3068 7.3547 7.3547 7.7682 7.7682 7.8202 7.8202 8.0943 8.0943 8.1468 8.1468 8.6305 8.6305 k = 0.2250 0.2413 0.2032 ( 12564 PWs) bands (ev): -9.3568 -9.3568 -9.3524 -9.3524 -9.2621 -9.2621 -9.2588 -9.2588 -8.3507 -8.3507 -8.3467 -8.3467 -7.0356 -7.0356 -7.0286 -7.0286 -4.1229 -4.1229 -4.1216 -4.1216 -2.4195 -2.4195 -2.3950 -2.3950 0.2475 0.2475 0.2581 0.2581 0.4563 0.4563 0.5161 0.5161 1.2686 1.2686 1.3344 1.3344 2.0423 2.0423 2.1079 2.1079 2.1937 2.1937 2.2296 2.2296 2.3611 2.3611 2.4240 2.4240 2.8580 2.8580 2.9109 2.9109 2.9817 2.9817 3.0765 3.0765 3.7819 3.7819 3.7982 3.7982 3.8569 3.8569 3.8828 3.8828 4.2392 4.2392 4.3168 4.3168 4.5841 4.5841 4.6539 4.6539 7.2867 7.2867 7.3345 7.3345 7.7351 7.7351 7.7901 7.7901 8.0362 8.0362 8.0951 8.0951 8.5996 8.5996 k = 0.2125 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.3777 -9.3777 -9.3735 -9.3735 -9.2748 -9.2748 -9.2718 -9.2718 -8.3693 -8.3693 -8.3655 -8.3655 -7.0319 -7.0319 -7.0251 -7.0251 -4.1182 -4.1182 -4.1165 -4.1165 -2.3769 -2.3769 -2.3541 -2.3541 0.2960 0.2960 0.3075 0.3075 0.4550 0.4550 0.5189 0.5189 1.3117 1.3117 1.3857 1.3857 2.0584 2.0584 2.1327 2.1327 2.2070 2.2070 2.2813 2.2813 2.3923 2.3923 2.4459 2.4459 2.8583 2.8583 2.9068 2.9068 2.9775 2.9775 3.0667 3.0667 3.8139 3.8139 3.8317 3.8317 3.8870 3.8870 3.9166 3.9166 4.2546 4.2546 4.3340 4.3340 4.5881 4.5881 4.6583 4.6583 7.2634 7.2634 7.3116 7.3116 7.7017 7.7017 7.7596 7.7596 7.9771 7.9771 8.0430 8.0430 8.5611 8.5611 k = 0.2000 0.2413 0.2032 ( 12576 PWs) bands (ev): -9.3980 -9.3980 -9.3941 -9.3941 -9.2872 -9.2872 -9.2844 -9.2844 -8.3867 -8.3867 -8.3831 -8.3831 -7.0295 -7.0295 -7.0229 -7.0229 -4.1128 -4.1128 -4.1107 -4.1107 -2.3372 -2.3372 -2.3160 -2.3160 0.3421 0.3421 0.3593 0.3593 0.4602 0.4602 0.5218 0.5218 1.3564 1.3564 1.4359 1.4359 2.0660 2.0660 2.1356 2.1356 2.2185 2.2185 2.3448 2.3448 2.4293 2.4293 2.4903 2.4903 2.8583 2.8583 2.8947 2.8947 2.9819 2.9819 3.0579 3.0579 3.8400 3.8400 3.8619 3.8619 3.9158 3.9158 3.9496 3.9496 4.2704 4.2704 4.3511 4.3511 4.5899 4.5899 4.6598 4.6598 7.2358 7.2358 7.2843 7.2843 7.6688 7.6688 7.7293 7.7293 7.9192 7.9192 7.9924 7.9924 8.5151 8.5151 k = 0.1875 0.2413 0.2032 ( 12576 PWs) bands (ev): -9.4177 -9.4177 -9.4141 -9.4141 -9.2992 -9.2992 -9.2965 -9.2965 -8.4029 -8.4029 -8.3996 -8.3996 -7.0282 -7.0282 -7.0219 -7.0219 -4.1069 -4.1069 -4.1044 -4.1044 -2.3003 -2.3003 -2.2808 -2.2808 0.3771 0.3771 0.4102 0.4102 0.4809 0.4809 0.5283 0.5283 1.4018 1.4018 1.4844 1.4844 2.0647 2.0647 2.1240 2.1240 2.2401 2.2401 2.4037 2.4037 2.4713 2.4713 2.5514 2.5514 2.8502 2.8502 2.8837 2.8837 2.9944 2.9944 3.0531 3.0531 3.8599 3.8599 3.8869 3.8869 3.9437 3.9437 3.9811 3.9811 4.2863 4.2863 4.3680 4.3680 4.5899 4.5899 4.6587 4.6587 7.2026 7.2026 7.2510 7.2510 7.6372 7.6372 7.6994 7.6994 7.8653 7.8653 7.9455 7.9455 8.4620 8.4620 k = 0.1750 0.2413 0.2032 ( 12580 PWs) bands (ev): -9.4367 -9.4367 -9.4333 -9.4333 -9.3107 -9.3107 -9.3081 -9.3081 -8.4180 -8.4180 -8.4149 -8.4149 -7.0278 -7.0278 -7.0218 -7.0218 -4.1006 -4.1006 -4.0978 -4.0978 -2.2662 -2.2662 -2.2485 -2.2485 0.3939 0.3939 0.4509 0.4509 0.5242 0.5242 0.5477 0.5477 1.4472 1.4472 1.5306 1.5306 2.0559 2.0559 2.1070 2.1070 2.2685 2.2685 2.4539 2.4539 2.5183 2.5183 2.6209 2.6209 2.8264 2.8264 2.8852 2.8852 3.0129 3.0129 3.0560 3.0560 3.8737 3.8737 3.9054 3.9054 3.9705 3.9705 4.0107 4.0107 4.3019 4.3019 4.3840 4.3840 4.5884 4.5884 4.6555 4.6555 7.1626 7.1626 7.2102 7.2102 7.6073 7.6073 7.6697 7.6697 7.8184 7.8184 7.9043 7.9043 8.4027 8.4027 k = 0.1625 0.2413 0.2032 ( 12588 PWs) bands (ev): -9.4547 -9.4547 -9.4516 -9.4516 -9.3216 -9.3216 -9.3192 -9.3192 -8.4320 -8.4320 -8.4292 -8.4292 -7.0283 -7.0283 -7.0225 -7.0225 -4.0941 -4.0941 -4.0911 -4.0911 -2.2351 -2.2351 -2.2190 -2.2190 0.3994 0.3994 0.4703 0.4703 0.5829 0.5829 0.5912 0.5912 1.4919 1.4919 1.5742 1.5742 2.0420 2.0420 2.0882 2.0882 2.3010 2.3010 2.4964 2.4964 2.5629 2.5629 2.6906 2.6906 2.7974 2.7974 2.8956 2.8956 3.0370 3.0370 3.0699 3.0699 3.8819 3.8819 3.9174 3.9174 3.9954 3.9954 4.0376 4.0376 4.3166 4.3166 4.3986 4.3986 4.5862 4.5862 4.6505 4.6505 7.1155 7.1155 7.1611 7.1611 7.5793 7.5793 7.6397 7.6397 7.7813 7.7813 7.8701 7.8701 8.3386 8.3386 k = 0.1500 0.2413 0.2032 ( 12584 PWs) bands (ev): -9.4719 -9.4719 -9.4690 -9.4690 -9.3319 -9.3319 -9.3297 -9.3297 -8.4449 -8.4449 -8.4423 -8.4423 -7.0293 -7.0293 -7.0239 -7.0239 -4.0877 -4.0877 -4.0845 -4.0845 -2.2068 -2.2068 -2.1924 -2.1924 0.4008 0.4008 0.4750 0.4750 0.6490 0.6490 0.6528 0.6528 1.5353 1.5353 1.6148 1.6148 2.0252 2.0252 2.0691 2.0691 2.3361 2.3361 2.5324 2.5324 2.5959 2.5959 2.7250 2.7250 2.8005 2.8005 2.9164 2.9164 3.0678 3.0678 3.0949 3.0949 3.8847 3.8847 3.9234 3.9234 4.0175 4.0175 4.0610 4.0610 4.3298 4.3298 4.4110 4.4110 4.5838 4.5838 4.6446 4.6446 7.0614 7.0614 7.1043 7.1043 7.5532 7.5532 7.6095 7.6095 7.7550 7.7550 7.8434 7.8434 8.2714 8.2714 k = 0.1375 0.2413 0.2032 ( 12592 PWs) bands (ev): -9.4879 -9.4879 -9.4853 -9.4853 -9.3415 -9.3415 -9.3395 -9.3395 -8.4567 -8.4567 -8.4543 -8.4543 -7.0308 -7.0308 -7.0258 -7.0258 -4.0813 -4.0813 -4.0781 -4.0781 -2.1812 -2.1812 -2.1684 -2.1684 0.4009 0.4009 0.4739 0.4739 0.7193 0.7193 0.7233 0.7233 1.5769 1.5769 1.6522 1.6522 2.0069 2.0069 2.0501 2.0501 2.3720 2.3720 2.5584 2.5584 2.6150 2.6150 2.6952 2.6952 2.8646 2.8646 2.9513 2.9513 3.1070 3.1070 3.1289 3.1289 3.8828 3.8828 3.9242 3.9242 4.0358 4.0358 4.0804 4.0804 4.3410 4.3410 4.4207 4.4207 4.5817 4.5817 4.6381 4.6381 7.0014 7.0014 7.0409 7.0409 7.5290 7.5290 7.5805 7.5805 7.7382 7.7382 7.8235 7.8235 8.2030 8.2030 k = 0.1250 0.2413 0.2032 ( 12580 PWs) bands (ev): -9.5028 -9.5028 -9.5004 -9.5004 -9.3505 -9.3505 -9.3487 -9.3487 -8.4675 -8.4675 -8.4653 -8.4653 -7.0326 -7.0326 -7.0280 -7.0280 -4.0751 -4.0751 -4.0719 -4.0719 -2.1584 -2.1584 -2.1470 -2.1470 0.4009 0.4009 0.4704 0.4704 0.7933 0.7933 0.7981 0.7981 1.6161 1.6161 1.6861 1.6861 1.9881 1.9881 2.0315 2.0315 2.4065 2.4065 2.5634 2.5634 2.6282 2.6282 2.6577 2.6577 2.9375 2.9375 3.0000 3.0000 3.1542 3.1542 3.1701 3.1701 3.8766 3.8766 3.9205 3.9205 4.0500 4.0500 4.0954 4.0954 4.3500 4.3500 4.4272 4.4272 4.5803 4.5803 4.6316 4.6316 6.9371 6.9371 6.9730 6.9730 7.5070 7.5070 7.5543 7.5543 7.7286 7.7286 7.8088 7.8088 8.1357 8.1357 k = 0.1125 0.2413 0.2032 ( 12576 PWs) bands (ev): -9.5165 -9.5165 -9.5143 -9.5143 -9.3587 -9.3587 -9.3571 -9.3571 -8.4772 -8.4772 -8.4752 -8.4752 -7.0346 -7.0346 -7.0304 -7.0304 -4.0693 -4.0693 -4.0662 -4.0662 -2.1381 -2.1381 -2.1282 -2.1282 0.4009 0.4009 0.4658 0.4658 0.8702 0.8702 0.8755 0.8755 1.6525 1.6525 1.7164 1.7164 1.9691 1.9691 2.0135 2.0135 2.4348 2.4348 2.5446 2.5446 2.6066 2.6066 2.6626 2.6626 3.0088 3.0088 3.0585 3.0585 3.2068 3.2068 3.2174 3.2174 3.8668 3.8668 3.9127 3.9127 4.0597 4.0597 4.1058 4.1058 4.3565 4.3565 4.4304 4.4304 4.5797 4.5797 4.6253 4.6253 6.8706 6.8706 6.9028 6.9028 7.4876 7.4876 7.5320 7.5320 7.7232 7.7232 7.7969 7.7969 8.0720 8.0720 k = 0.1000 0.2413 0.2032 ( 12588 PWs) bands (ev): -9.5289 -9.5289 -9.5270 -9.5270 -9.3661 -9.3661 -9.3647 -9.3647 -8.4858 -8.4858 -8.4841 -8.4841 -7.0367 -7.0367 -7.0329 -7.0329 -4.0639 -4.0639 -4.0610 -4.0610 -2.1203 -2.1203 -2.1118 -2.1118 0.4013 0.4013 0.4607 0.4607 0.9490 0.9490 0.9546 0.9546 1.6858 1.6858 1.7431 1.7431 1.9501 1.9501 1.9959 1.9959 2.4449 2.4449 2.5103 2.5103 2.5835 2.5835 2.6871 2.6871 3.0770 3.0770 3.1222 3.1222 3.2610 3.2610 3.2707 3.2707 3.8539 3.8539 3.9015 3.9015 4.0650 4.0650 4.1114 4.1114 4.3607 4.3607 4.4304 4.4304 4.5799 4.5799 4.6193 4.6193 6.8038 6.8038 6.8325 6.8325 7.4712 7.4712 7.5140 7.5140 7.7192 7.7192 7.7846 7.7846 8.0152 8.0152 k = 0.0875 0.2413 0.2032 ( 12596 PWs) bands (ev): -9.5399 -9.5399 -9.5383 -9.5383 -9.3727 -9.3727 -9.3715 -9.3715 -8.4934 -8.4934 -8.4919 -8.4919 -7.0388 -7.0388 -7.0354 -7.0354 -4.0589 -4.0589 -4.0563 -4.0563 -2.1049 -2.1049 -2.0976 -2.0976 0.4021 0.4021 0.4552 0.4552 1.0289 1.0289 1.0344 1.0344 1.7155 1.7155 1.7660 1.7660 1.9314 1.9314 1.9786 1.9786 2.4240 2.4240 2.4660 2.4660 2.5901 2.5901 2.7117 2.7117 3.1418 3.1418 3.1873 3.1873 3.3146 3.3146 3.3276 3.3276 3.8388 3.8388 3.8875 3.8875 4.0665 4.0665 4.1126 4.1126 4.3629 4.3629 4.4275 4.4275 4.5806 4.5806 4.6139 4.6139 6.7390 6.7390 6.7642 6.7642 7.4584 7.4584 7.5004 7.5004 7.7139 7.7139 7.7682 7.7682 7.9691 7.9691 k = 0.0750 0.2413 0.2032 ( 12596 PWs) bands (ev): -9.5496 -9.5496 -9.5482 -9.5482 -9.3785 -9.3785 -9.3774 -9.3774 -8.5000 -8.5000 -8.4987 -8.4987 -7.0407 -7.0407 -7.0378 -7.0378 -4.0545 -4.0545 -4.0521 -4.0521 -2.0918 -2.0918 -2.0857 -2.0857 0.4034 0.4034 0.4497 0.4497 1.1086 1.1086 1.1139 1.1139 1.7414 1.7414 1.7851 1.7851 1.9128 1.9128 1.9612 1.9612 2.3823 2.3823 2.4171 2.4171 2.6161 2.6161 2.7343 2.7343 3.2034 3.2034 3.2507 3.2507 3.3673 3.3673 3.3833 3.3833 3.8225 3.8225 3.8713 3.8713 4.0648 4.0648 4.1099 4.1099 4.3636 4.3636 4.4220 4.4220 4.5816 4.5816 4.6089 4.6089 6.6781 6.6781 6.6999 6.6999 7.4493 7.4493 7.4907 7.4907 7.7046 7.7046 7.7453 7.7453 7.9368 7.9368 k = 0.0625 0.2413 0.2032 ( 12596 PWs) bands (ev): -9.5578 -9.5578 -9.5566 -9.5566 -9.3835 -9.3835 -9.3826 -9.3826 -8.5056 -8.5056 -8.5045 -8.5045 -7.0424 -7.0424 -7.0400 -7.0400 -4.0507 -4.0507 -4.0486 -4.0486 -2.0808 -2.0808 -2.0758 -2.0758 0.4051 0.4051 0.4442 0.4442 1.1867 1.1867 1.1920 1.1920 1.7629 1.7629 1.8000 1.8000 1.8948 1.8948 1.9433 1.9433 2.3340 2.3340 2.3674 2.3674 2.6481 2.6481 2.7538 2.7538 3.2612 3.2612 3.3104 3.3104 3.4173 3.4173 3.4347 3.4347 3.8060 3.8060 3.8536 3.8536 4.0609 4.0609 4.1038 4.1038 4.3632 4.3632 4.4145 4.4145 4.5827 4.5827 4.6043 4.6043 6.6230 6.6230 6.6414 6.6414 7.4440 7.4440 7.4846 7.4846 7.6893 7.6893 7.7172 7.7172 7.9180 7.9180 k = 0.0500 0.2413 0.2032 ( 12584 PWs) bands (ev): -9.5646 -9.5646 -9.5636 -9.5636 -9.3875 -9.3875 -9.3868 -9.3868 -8.5101 -8.5101 -8.5092 -8.5092 -7.0439 -7.0439 -7.0419 -7.0419 -4.0475 -4.0475 -4.0458 -4.0458 -2.0718 -2.0718 -2.0680 -2.0680 0.4072 0.4072 0.4389 0.4389 1.2611 1.2611 1.2669 1.2669 1.7794 1.7794 1.8098 1.8098 1.8784 1.8784 1.9245 1.9245 2.2868 2.2868 2.3193 2.3193 2.6806 2.6806 2.7692 2.7692 3.3144 3.3144 3.3644 3.3644 3.4616 3.4616 3.4791 3.4791 3.7908 3.7908 3.8352 3.8352 4.0559 4.0559 4.0951 4.0951 4.3626 4.3626 4.4055 4.4055 4.5838 4.5838 4.6002 4.6002 6.5755 6.5755 6.5905 6.5905 7.4426 7.4426 7.4812 7.4812 7.6676 7.6676 7.6892 7.6892 7.9092 7.9092 k = 0.0375 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.5698 -9.5698 -9.5691 -9.5691 -9.3907 -9.3907 -9.3901 -9.3901 -8.5135 -8.5135 -8.5129 -8.5129 -7.0450 -7.0450 -7.0436 -7.0436 -4.0449 -4.0449 -4.0436 -4.0436 -2.0649 -2.0649 -2.0620 -2.0620 0.4098 0.4098 0.4337 0.4337 1.3293 1.3293 1.3356 1.3356 1.7895 1.7895 1.8126 1.8126 1.8665 1.8665 1.9049 1.9049 2.2462 2.2462 2.2756 2.2756 2.7109 2.7109 2.7797 2.7797 3.3621 3.3621 3.4103 3.4103 3.4971 3.4971 3.5147 3.5147 3.7788 3.7788 3.8172 3.8172 4.0515 4.0515 4.0846 4.0846 4.3625 4.3625 4.3959 4.3959 4.5849 4.5849 4.5966 4.5966 6.5372 6.5372 6.5487 6.5487 7.4447 7.4447 7.4792 7.4792 7.6435 7.6435 7.6641 7.6641 7.9065 7.9065 k = 0.0250 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.5736 -9.5736 -9.5731 -9.5731 -9.3929 -9.3929 -9.3925 -9.3925 -8.5160 -8.5160 -8.5156 -8.5156 -7.0458 -7.0458 -7.0448 -7.0448 -4.0430 -4.0430 -4.0421 -4.0421 -2.0599 -2.0599 -2.0580 -2.0580 0.4128 0.4128 0.4289 0.4289 1.3871 1.3871 1.3934 1.3934 1.7914 1.7914 1.8077 1.8077 1.8619 1.8619 1.8867 1.8867 2.2163 2.2163 2.2391 2.2391 2.7374 2.7374 2.7843 2.7843 3.4029 3.4029 3.4438 3.4438 3.5227 3.5227 3.5397 3.5397 3.7718 3.7718 3.8007 3.8007 4.0492 4.0492 4.0735 4.0735 4.3635 4.3635 4.3864 4.3864 4.5860 4.5860 4.5935 4.5935 6.5094 6.5094 6.5171 6.5171 7.4499 7.4499 7.4769 7.4769 7.6240 7.6240 7.6423 7.6423 7.9073 7.9073 k = 0.0125 0.2413 0.2032 ( 12552 PWs) bands (ev): -9.5758 -9.5758 -9.5755 -9.5755 -9.3942 -9.3942 -9.3940 -9.3940 -8.5174 -8.5174 -8.5172 -8.5172 -7.0462 -7.0462 -7.0457 -7.0457 -4.0417 -4.0417 -4.0413 -4.0413 -2.0567 -2.0567 -2.0557 -2.0557 0.4162 0.4162 0.4243 0.4243 1.4284 1.4284 1.4328 1.4328 1.7883 1.7883 1.7983 1.7983 1.8628 1.8628 1.8738 1.8738 2.2003 2.2003 2.2129 2.2129 2.7587 2.7587 2.7825 2.7825 3.4350 3.4350 3.4595 3.4595 3.5405 3.5405 3.5521 3.5521 3.7710 3.7710 3.7867 3.7867 4.0502 4.0502 4.0632 4.0632 4.3663 4.3663 4.3780 4.3780 4.5873 4.5873 4.5909 4.5909 6.4931 6.4931 6.4970 6.4970 7.4573 7.4573 7.4725 7.4725 7.6139 7.6139 7.6250 7.6250 7.9101 7.9101 k = 0.0000 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.5764 -9.5764 -9.5764 -9.5764 -9.3946 -9.3946 -9.3946 -9.3946 -8.5178 -8.5178 -8.5178 -8.5178 -7.0461 -7.0461 -7.0461 -7.0461 -4.0412 -4.0412 -4.0412 -4.0412 -2.0553 -2.0553 -2.0553 -2.0553 0.4201 0.4201 0.4201 0.4201 1.4454 1.4454 1.4454 1.4454 1.7897 1.7897 1.7897 1.7897 1.8666 1.8666 1.8666 1.8666 2.1994 2.1994 2.1994 2.1994 2.7739 2.7739 2.7739 2.7739 3.4554 3.4554 3.4554 3.4554 3.5514 3.5514 3.5514 3.5514 3.7763 3.7763 3.7763 3.7763 4.0550 4.0550 4.0550 4.0550 4.3711 4.3711 4.3711 4.3711 4.5889 4.5889 4.5889 4.5889 6.4889 6.4889 6.4889 6.4889 7.4655 7.4655 7.4655 7.4655 7.6147 7.6147 7.6147 7.6147 7.9141 7.9141 k = 0.0000 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.5764 -9.5764 -9.5764 -9.5764 -9.3946 -9.3946 -9.3946 -9.3946 -8.5178 -8.5178 -8.5178 -8.5178 -7.0461 -7.0461 -7.0461 -7.0461 -4.0412 -4.0412 -4.0412 -4.0412 -2.0553 -2.0553 -2.0553 -2.0553 0.4201 0.4201 0.4201 0.4201 1.4454 1.4454 1.4454 1.4454 1.7897 1.7897 1.7897 1.7897 1.8666 1.8666 1.8666 1.8666 2.1994 2.1994 2.1994 2.1994 2.7739 2.7739 2.7739 2.7739 3.4554 3.4554 3.4554 3.4554 3.5514 3.5514 3.5514 3.5514 3.7763 3.7763 3.7763 3.7763 4.0550 4.0550 4.0550 4.0550 4.3711 4.3711 4.3711 4.3711 4.5889 4.5889 4.5889 4.5889 6.4889 6.4889 6.4889 6.4889 7.4655 7.4655 7.4655 7.4655 7.6147 7.6147 7.6147 7.6147 7.9141 7.9141 k = 0.0000 0.2292 0.2032 ( 12554 PWs) bands (ev): -9.5774 -9.5774 -9.5773 -9.5773 -9.3935 -9.3935 -9.3934 -9.3934 -8.5177 -8.5177 -8.5177 -8.5177 -7.0465 -7.0465 -7.0465 -7.0465 -4.0412 -4.0412 -4.0412 -4.0412 -2.0554 -2.0554 -2.0553 -2.0553 0.4201 0.4201 0.4204 0.4204 1.4444 1.4444 1.4460 1.4460 1.7788 1.7788 1.7922 1.7922 1.8664 1.8664 1.8802 1.8802 2.1983 2.1983 2.2015 2.2015 2.7735 2.7735 2.7761 2.7761 3.4481 3.4481 3.4607 3.4607 3.5499 3.5499 3.5512 3.5512 3.7673 3.7673 3.7798 3.7798 4.0536 4.0536 4.0554 4.0554 4.3681 4.3681 4.3728 4.3728 4.5888 4.5888 4.5906 4.5906 6.4862 6.4862 6.4912 6.4912 7.4482 7.4482 7.4822 7.4822 7.5973 7.5973 7.6339 7.6339 7.9114 7.9114 k = 0.0000 0.2172 0.2032 ( 12556 PWs) bands (ev): -9.5803 -9.5803 -9.5801 -9.5801 -9.3904 -9.3904 -9.3902 -9.3902 -8.5174 -8.5174 -8.5173 -8.5173 -7.0475 -7.0475 -7.0474 -7.0474 -4.0414 -4.0414 -4.0414 -4.0414 -2.0556 -2.0556 -2.0554 -2.0554 0.4206 0.4206 0.4211 0.4211 1.4428 1.4428 1.4459 1.4459 1.7654 1.7654 1.7850 1.7850 1.8810 1.8810 1.9015 1.9015 2.1982 2.1982 2.2046 2.2046 2.7748 2.7748 2.7801 2.7801 3.4389 3.4389 3.4640 3.4640 3.5466 3.5466 3.5494 3.5494 3.7532 3.7532 3.7776 3.7776 4.0510 4.0510 4.0542 4.0542 4.3641 4.3641 4.3732 4.3732 4.5904 4.5904 4.5937 4.5937 6.4833 6.4833 6.4931 6.4931 7.4311 7.4311 7.4966 7.4966 7.5835 7.5835 7.6541 7.6541 7.9094 7.9094 k = 0.0000 0.2051 0.2032 ( 12554 PWs) bands (ev): -9.5848 -9.5848 -9.5845 -9.5845 -9.3854 -9.3854 -9.3852 -9.3852 -8.5168 -8.5168 -8.5166 -8.5166 -7.0491 -7.0491 -7.0491 -7.0491 -4.0418 -4.0418 -4.0417 -4.0417 -2.0559 -2.0559 -2.0556 -2.0556 0.4214 0.4214 0.4222 0.4222 1.4409 1.4409 1.4452 1.4452 1.7524 1.7524 1.7735 1.7735 1.9046 1.9046 1.9271 1.9271 2.1993 2.1993 2.2086 2.2086 2.7780 2.7780 2.7858 2.7858 3.4278 3.4278 3.4650 3.4650 3.5416 3.5416 3.5459 3.5459 3.7354 3.7354 3.7705 3.7705 4.0463 4.0463 4.0501 4.0501 4.3599 4.3599 4.3726 4.3726 4.5936 4.5936 4.5981 4.5981 6.4804 6.4804 6.4947 6.4947 7.4147 7.4147 7.5053 7.5053 7.5761 7.5761 7.6744 7.6744 7.9084 7.9084 k = 0.0000 0.1930 0.2032 ( 12566 PWs) bands (ev): -9.5905 -9.5905 -9.5902 -9.5902 -9.3790 -9.3790 -9.3787 -9.3787 -8.5159 -8.5159 -8.5158 -8.5158 -7.0514 -7.0514 -7.0513 -7.0513 -4.0422 -4.0422 -4.0421 -4.0421 -2.0563 -2.0563 -2.0560 -2.0560 0.4226 0.4226 0.4237 0.4237 1.4387 1.4387 1.4439 1.4439 1.7411 1.7411 1.7616 1.7616 1.9332 1.9332 1.9556 1.9556 2.2017 2.2017 2.2138 2.2138 2.7828 2.7828 2.7932 2.7932 3.4147 3.4147 3.4636 3.4636 3.5350 3.5350 3.5410 3.5410 3.7152 3.7152 3.7596 3.7596 4.0381 4.0381 4.0421 4.0421 4.3562 4.3562 4.3716 4.3716 4.5982 4.5982 4.6035 4.6035 6.4778 6.4778 6.4964 6.4964 7.3993 7.3993 7.5051 7.5051 7.5779 7.5779 7.6939 7.6939 7.9087 7.9087 k = 0.0000 0.1810 0.2032 ( 12558 PWs) bands (ev): -9.5972 -9.5972 -9.5969 -9.5969 -9.3714 -9.3714 -9.3711 -9.3711 -8.5149 -8.5149 -8.5147 -8.5147 -7.0542 -7.0542 -7.0540 -7.0540 -4.0427 -4.0427 -4.0426 -4.0426 -2.0568 -2.0568 -2.0564 -2.0564 0.4242 0.4242 0.4256 0.4256 1.4362 1.4362 1.4420 1.4420 1.7317 1.7317 1.7506 1.7506 1.9648 1.9648 1.9863 1.9863 2.2056 2.2056 2.2203 2.2203 2.7892 2.7892 2.8022 2.8022 3.3997 3.3997 3.4591 3.4591 3.5268 3.5268 3.5348 3.5348 3.6940 3.6940 3.7460 3.7460 4.0247 4.0247 4.0296 4.0296 4.3536 4.3536 4.3706 4.3706 4.6038 4.6038 4.6096 4.6096 6.4760 6.4760 6.4983 6.4983 7.3848 7.3848 7.4977 7.4977 7.5866 7.5866 7.7118 7.7118 7.9107 7.9107 k = 0.0000 0.1689 0.2032 ( 12562 PWs) bands (ev): -9.6045 -9.6045 -9.6041 -9.6041 -9.3631 -9.3631 -9.3628 -9.3628 -8.5136 -8.5136 -8.5134 -8.5134 -7.0575 -7.0575 -7.0573 -7.0573 -4.0433 -4.0433 -4.0431 -4.0431 -2.0575 -2.0575 -2.0570 -2.0570 0.4262 0.4262 0.4278 0.4278 1.4335 1.4335 1.4397 1.4397 1.7242 1.7242 1.7409 1.7409 1.9984 1.9984 2.0182 2.0182 2.2114 2.2114 2.2285 2.2285 2.7970 2.7970 2.8125 2.8125 3.3828 3.3828 3.4511 3.4511 3.5173 3.5173 3.5275 3.5275 3.6732 3.6732 3.7310 3.7310 4.0050 4.0050 4.0124 4.0124 4.3524 4.3524 4.3702 4.3702 4.6103 4.6103 4.6163 4.6163 6.4753 6.4753 6.5009 6.5009 7.3713 7.3713 7.4869 7.4869 7.5978 7.5978 7.7271 7.7271 7.9147 7.9147 k = 0.0000 0.1568 0.2032 ( 12572 PWs) bands (ev): -9.6121 -9.6121 -9.6117 -9.6117 -9.3543 -9.3543 -9.3540 -9.3540 -8.5122 -8.5122 -8.5119 -8.5119 -7.0611 -7.0611 -7.0609 -7.0609 -4.0440 -4.0440 -4.0438 -4.0438 -2.0582 -2.0582 -2.0576 -2.0576 0.4286 0.4286 0.4304 0.4304 1.4308 1.4308 1.4370 1.4370 1.7186 1.7186 1.7327 1.7327 2.0326 2.0326 2.0504 2.0504 2.2197 2.2197 2.2391 2.2391 2.8061 2.8061 2.8241 2.8241 3.3642 3.3642 3.4394 3.4394 3.5066 3.5066 3.5192 3.5192 3.6539 3.6539 3.7153 3.7153 3.9794 3.9794 3.9901 3.9901 4.3524 4.3524 4.3702 4.3702 4.6173 4.6173 4.6234 4.6234 6.4761 6.4761 6.5044 6.5044 7.3586 7.3586 7.4751 7.4751 7.6087 7.6087 7.7393 7.7393 7.9212 7.9212 k = 0.0000 0.1448 0.2032 ( 12572 PWs) bands (ev): -9.6198 -9.6198 -9.6194 -9.6194 -9.3453 -9.3453 -9.3450 -9.3450 -8.5106 -8.5106 -8.5103 -8.5103 -7.0651 -7.0651 -7.0649 -7.0649 -4.0447 -4.0447 -4.0444 -4.0444 -2.0590 -2.0590 -2.0583 -2.0583 0.4313 0.4313 0.4333 0.4333 1.4279 1.4279 1.4341 1.4341 1.7146 1.7146 1.7261 1.7261 2.0654 2.0654 2.0817 2.0817 2.2315 2.2315 2.2535 2.2535 2.8164 2.8164 2.8368 2.8368 3.3442 3.3442 3.4240 3.4240 3.4947 3.4947 3.5101 3.5101 3.6370 3.6370 3.6994 3.6994 3.9484 3.9484 3.9629 3.9629 4.3533 4.3533 4.3707 4.3707 4.6246 4.6246 4.6306 4.6306 6.4786 6.4786 6.5090 6.5090 7.3466 7.3466 7.4630 7.4630 7.6181 7.6181 7.7479 7.7479 7.9300 7.9300 k = 0.0000 0.1327 0.2032 ( 12588 PWs) bands (ev): -9.6274 -9.6274 -9.6269 -9.6269 -9.3364 -9.3364 -9.3361 -9.3361 -8.5090 -8.5090 -8.5086 -8.5086 -7.0694 -7.0694 -7.0691 -7.0691 -4.0454 -4.0454 -4.0452 -4.0452 -2.0598 -2.0598 -2.0591 -2.0591 0.4342 0.4342 0.4364 0.4364 1.4250 1.4250 1.4311 1.4311 1.7120 1.7120 1.7210 1.7210 2.0941 2.0941 2.1107 2.1107 2.2482 2.2482 2.2734 2.2734 2.8275 2.8275 2.8503 2.8503 3.3232 3.3232 3.4055 3.4055 3.4819 3.4819 3.4999 3.4999 3.6227 3.6227 3.6838 3.6838 3.9129 3.9129 3.9316 3.9316 4.3548 4.3548 4.3713 4.3713 4.6320 4.6320 4.6379 4.6379 6.4831 6.4831 6.5150 6.5150 7.3352 7.3352 7.4510 7.4510 7.6257 7.6257 7.7531 7.7531 7.9408 7.9408 k = 0.0000 0.1207 0.2032 ( 12594 PWs) bands (ev): -9.6347 -9.6347 -9.6342 -9.6342 -9.3277 -9.3277 -9.3274 -9.3274 -8.5072 -8.5072 -8.5068 -8.5068 -7.0737 -7.0737 -7.0734 -7.0734 -4.0461 -4.0461 -4.0459 -4.0459 -2.0608 -2.0608 -2.0600 -2.0600 0.4373 0.4373 0.4397 0.4397 1.4220 1.4220 1.4282 1.4282 1.7106 1.7106 1.7175 1.7175 2.1165 2.1165 2.1360 2.1360 2.2712 2.2712 2.3000 2.3000 2.8393 2.8393 2.8645 2.8645 3.3016 3.3016 3.3849 3.3849 3.4681 3.4681 3.4888 3.4888 3.6112 3.6112 3.6682 3.6682 3.8740 3.8740 3.8971 3.8971 4.3563 4.3563 4.3719 4.3719 4.6394 4.6394 4.6451 4.6451 6.4896 6.4896 6.5223 6.5223 7.3242 7.3242 7.4391 7.4391 7.6312 7.6312 7.7554 7.7554 7.9529 7.9529 k = 0.0000 0.1086 0.2032 ( 12600 PWs) bands (ev): -9.6416 -9.6416 -9.6411 -9.6411 -9.3194 -9.3194 -9.3191 -9.3191 -8.5055 -8.5055 -8.5050 -8.5050 -7.0781 -7.0781 -7.0778 -7.0778 -4.0469 -4.0469 -4.0466 -4.0466 -2.0617 -2.0617 -2.0609 -2.0609 0.4406 0.4406 0.4431 0.4431 1.4190 1.4190 1.4255 1.4255 1.7098 1.7098 1.7157 1.7157 2.1326 2.1326 2.1556 2.1556 2.3011 2.3011 2.3332 2.3332 2.8515 2.8515 2.8789 2.8789 3.2801 3.2801 3.3630 3.3630 3.4535 3.4535 3.4767 3.4767 3.6018 3.6018 3.6524 3.6524 3.8329 3.8329 3.8609 3.8609 4.3578 4.3578 4.3722 4.3722 4.6464 4.6464 4.6521 4.6521 6.4978 6.4978 6.5307 6.5307 7.3138 7.3138 7.4275 7.4275 7.6349 7.6349 7.7555 7.7555 7.9656 7.9656 k = 0.0000 0.0965 0.2032 ( 12604 PWs) bands (ev): -9.6480 -9.6480 -9.6475 -9.6475 -9.3117 -9.3117 -9.3114 -9.3114 -8.5037 -8.5037 -8.5033 -8.5033 -7.0824 -7.0824 -7.0821 -7.0821 -4.0476 -4.0476 -4.0472 -4.0472 -2.0627 -2.0627 -2.0618 -2.0618 0.4439 0.4439 0.4466 0.4466 1.4161 1.4161 1.4229 1.4229 1.7095 1.7095 1.7154 1.7154 2.1438 2.1438 2.1695 2.1695 2.3370 2.3370 2.3715 2.3715 2.8639 2.8639 2.8933 2.8933 3.2591 3.2591 3.3408 3.3408 3.4385 3.4385 3.4639 3.4639 3.5941 3.5941 3.6359 3.6359 3.7911 3.7911 3.8247 3.8247 4.3589 4.3589 4.3722 4.3722 4.6531 4.6531 4.6586 4.6586 6.5077 6.5077 6.5401 6.5401 7.3037 7.3037 7.4162 7.4162 7.6370 7.6370 7.7541 7.7541 7.9781 7.9781 k = 0.0000 0.0845 0.2032 ( 12606 PWs) bands (ev): -9.6538 -9.6538 -9.6533 -9.6533 -9.3046 -9.3046 -9.3043 -9.3043 -8.5020 -8.5020 -8.5015 -8.5015 -7.0865 -7.0865 -7.0861 -7.0861 -4.0482 -4.0482 -4.0479 -4.0479 -2.0636 -2.0636 -2.0627 -2.0627 0.4471 0.4471 0.4500 0.4500 1.4133 1.4133 1.4207 1.4207 1.7095 1.7095 1.7165 1.7165 2.1516 2.1516 2.1790 2.1790 2.3765 2.3765 2.4127 2.4127 2.8762 2.8762 2.9072 2.9072 3.2393 3.2393 3.3188 3.3188 3.4234 3.4234 3.4509 3.4509 3.5869 3.5869 3.6180 3.6180 3.7501 3.7501 3.7903 3.7903 4.3597 4.3597 4.3719 4.3719 4.6592 4.6592 4.6647 4.6647 6.5188 6.5188 6.5499 6.5499 7.2941 7.2941 7.4053 7.4053 7.6379 7.6379 7.7518 7.7518 7.9899 7.9899 k = 0.0000 0.0724 0.2032 ( 12608 PWs) bands (ev): -9.6590 -9.6590 -9.6585 -9.6585 -9.2983 -9.2983 -9.2980 -9.2980 -8.5004 -8.5004 -8.4999 -8.4999 -7.0902 -7.0902 -7.0899 -7.0899 -4.0488 -4.0488 -4.0484 -4.0484 -2.0645 -2.0645 -2.0636 -2.0636 0.4502 0.4502 0.4531 0.4531 1.4107 1.4107 1.4186 1.4186 1.7100 1.7100 1.7183 1.7183 2.1569 2.1569 2.1854 2.1854 2.4171 2.4171 2.4550 2.4550 2.8882 2.8882 2.9203 2.9203 3.2211 3.2211 3.2973 3.2973 3.4087 3.4087 3.4381 3.4381 3.5788 3.5788 3.5985 3.5985 3.7120 3.7120 3.7599 3.7599 4.3601 4.3601 4.3713 4.3713 4.6647 4.6647 4.6701 4.6701 6.5307 6.5307 6.5598 6.5598 7.2851 7.2851 7.3949 7.3949 7.6378 7.6378 7.7490 7.7490 8.0007 8.0007 k = 0.0000 0.0603 0.2032 ( 12602 PWs) bands (ev): -9.6635 -9.6635 -9.6630 -9.6630 -9.2928 -9.2928 -9.2925 -9.2925 -8.4990 -8.4990 -8.4985 -8.4985 -7.0936 -7.0936 -7.0933 -7.0933 -4.0493 -4.0493 -4.0489 -4.0489 -2.0653 -2.0653 -2.0644 -2.0644 0.4530 0.4530 0.4560 0.4560 1.4084 1.4084 1.4169 1.4169 1.7108 1.7108 1.7205 1.7205 2.1607 2.1607 2.1896 2.1896 2.4568 2.4568 2.4964 2.4964 2.8997 2.8997 2.9321 2.9321 3.2052 3.2052 3.2766 3.2766 3.3950 3.3950 3.4262 3.4262 3.5659 3.5659 3.5801 3.5801 3.6788 3.6788 3.7349 3.7349 4.3602 4.3602 4.3706 4.3706 4.6694 4.6694 4.6748 4.6748 6.5427 6.5427 6.5692 6.5692 7.2769 7.2769 7.3852 7.3852 7.6372 7.6372 7.7461 7.7461 8.0101 8.0101 k = 0.0000 0.0483 0.2032 ( 12616 PWs) bands (ev): -9.6672 -9.6672 -9.6667 -9.6667 -9.2882 -9.2882 -9.2879 -9.2879 -8.4978 -8.4978 -8.4972 -8.4972 -7.0965 -7.0965 -7.0962 -7.0962 -4.0497 -4.0497 -4.0494 -4.0494 -2.0660 -2.0660 -2.0651 -2.0651 0.4555 0.4555 0.4586 0.4586 1.4065 1.4065 1.4155 1.4155 1.7118 1.7118 1.7227 1.7227 2.1632 2.1632 2.1924 2.1924 2.4935 2.4935 2.5348 2.5348 2.9106 2.9106 2.9420 2.9420 3.1919 3.1919 3.2567 3.2567 3.3831 3.3831 3.4156 3.4156 3.5454 3.5454 3.5655 3.5655 3.6532 3.6532 3.7161 3.7161 4.3602 4.3602 4.3697 4.3697 4.6733 4.6733 4.6787 4.6787 6.5543 6.5543 6.5774 6.5774 7.2698 7.2698 7.3767 7.3767 7.6363 7.6363 7.7434 7.7434 8.0180 8.0180 k = 0.0000 0.0362 0.2032 ( 12616 PWs) bands (ev): -9.6701 -9.6701 -9.6696 -9.6696 -9.2845 -9.2845 -9.2843 -9.2843 -8.4968 -8.4968 -8.4962 -8.4962 -7.0989 -7.0989 -7.0985 -7.0985 -4.0501 -4.0501 -4.0497 -4.0497 -2.0666 -2.0666 -2.0657 -2.0657 0.4575 0.4575 0.4606 0.4606 1.4049 1.4049 1.4143 1.4143 1.7129 1.7129 1.7248 1.7248 2.1649 2.1649 2.1941 2.1941 2.5252 2.5252 2.5682 2.5682 2.9206 2.9206 2.9497 2.9497 3.1818 3.1818 3.2380 3.2380 3.3738 3.3738 3.4065 3.4065 3.5241 3.5241 3.5506 3.5506 3.6361 3.6361 3.7027 3.7027 4.3600 4.3600 4.3690 4.3690 4.6764 4.6764 4.6818 4.6818 6.5647 6.5647 6.5839 6.5839 7.2638 7.2638 7.3695 7.3695 7.6353 7.6353 7.7411 7.7411 8.0242 8.0242 k = 0.0000 0.0241 0.2032 ( 12614 PWs) bands (ev): -9.6722 -9.6722 -9.6717 -9.6717 -9.2819 -9.2819 -9.2817 -9.2817 -8.4960 -8.4960 -8.4955 -8.4955 -7.1006 -7.1006 -7.1002 -7.1002 -4.0503 -4.0503 -4.0500 -4.0500 -2.0670 -2.0670 -2.0661 -2.0661 0.4590 0.4590 0.4622 0.4622 1.4038 1.4038 1.4135 1.4135 1.7138 1.7138 1.7264 1.7264 2.1660 2.1660 2.1952 2.1952 2.5498 2.5498 2.5942 2.5942 2.9294 2.9294 2.9547 2.9547 3.1753 3.1753 3.2214 3.2214 3.3677 3.3677 3.3991 3.3991 3.5069 3.5069 3.5359 3.5359 3.6263 3.6263 3.6940 3.6940 4.3599 4.3599 4.3684 4.3684 4.6787 4.6787 4.6840 4.6840 6.5732 6.5732 6.5885 6.5885 7.2594 7.2594 7.3640 7.3640 7.6344 7.6344 7.7394 7.7394 8.0287 8.0287 k = 0.0000 0.0121 0.2032 ( 12606 PWs) bands (ev): -9.6735 -9.6735 -9.6730 -9.6730 -9.2803 -9.2803 -9.2801 -9.2801 -8.4956 -8.4956 -8.4950 -8.4950 -7.1016 -7.1016 -7.1013 -7.1013 -4.0505 -4.0505 -4.0501 -4.0501 -2.0673 -2.0673 -2.0663 -2.0663 0.4599 0.4599 0.4631 0.4631 1.4031 1.4031 1.4130 1.4130 1.7144 1.7144 1.7274 1.7274 2.1665 2.1665 2.1957 2.1957 2.5654 2.5654 2.6109 2.6109 2.9360 2.9360 2.9570 2.9570 3.1724 3.1724 3.2090 3.2090 3.3646 3.3646 3.3938 3.3938 3.4962 3.4962 3.5249 3.5249 3.6215 3.6215 3.6891 3.6891 4.3597 4.3597 4.3679 4.3679 4.6800 4.6800 4.6853 4.6853 6.5791 6.5791 6.5909 6.5909 7.2566 7.2566 7.3606 7.3606 7.6339 7.6339 7.7383 7.7383 8.0315 8.0315 k = 0.0000 0.0000 0.2032 ( 12602 PWs) bands (ev): -9.6739 -9.6739 -9.6734 -9.6734 -9.2798 -9.2798 -9.2796 -9.2796 -8.4954 -8.4954 -8.4949 -8.4949 -7.1020 -7.1020 -7.1016 -7.1016 -4.0505 -4.0505 -4.0501 -4.0501 -2.0674 -2.0674 -2.0664 -2.0664 0.4602 0.4602 0.4634 0.4634 1.4029 1.4029 1.4128 1.4128 1.7146 1.7146 1.7278 1.7278 2.1667 2.1667 2.1959 2.1959 2.5708 2.5708 2.6166 2.6166 2.9385 2.9385 2.9575 2.9575 3.1719 3.1719 3.2041 3.2041 3.3638 3.3638 3.3918 3.3918 3.4927 3.4927 3.5209 3.5209 3.6201 3.6201 3.6875 3.6875 4.3597 4.3597 4.3678 4.3678 4.6805 4.6805 4.6857 4.6857 6.5812 6.5812 6.5915 6.5915 7.2557 7.2557 7.3594 7.3594 7.6337 7.6337 7.7379 7.7379 8.0324 8.0324 k = 0.0000 0.2413-0.0000 ( 12642 PWs) bands (ev): -9.6537 -9.6537 -9.6533 -9.6533 -9.2652 -9.2652 -9.2651 -9.2651 -8.5813 -8.5813 -8.5811 -8.5811 -7.0436 -7.0436 -7.0431 -7.0431 -4.0223 -4.0223 -4.0219 -4.0219 -2.0189 -2.0189 -2.0177 -2.0177 0.2699 0.2699 0.2714 0.2714 1.3011 1.3011 1.3080 1.3080 1.5009 1.5009 1.5066 1.5066 2.3449 2.3449 2.3579 2.3579 2.7186 2.7186 2.7230 2.7230 2.8247 2.8247 2.8889 2.8889 3.1539 3.1539 3.2046 3.2046 3.2961 3.2961 3.2975 3.2975 3.6682 3.6682 3.6834 3.6834 3.9202 3.9202 3.9555 3.9555 4.3325 4.3325 4.3368 4.3368 4.6973 4.6973 4.7008 4.7008 6.8467 6.8467 6.8924 6.8924 7.2845 7.2845 7.3316 7.3316 7.6564 7.6564 7.7488 7.7488 7.8812 7.8812 k = 0.0000 0.2413 0.0120 ( 12638 PWs) bands (ev): -9.6532 -9.6532 -9.6528 -9.6528 -9.2662 -9.2662 -9.2660 -9.2660 -8.5807 -8.5807 -8.5805 -8.5805 -7.0436 -7.0436 -7.0431 -7.0431 -4.0225 -4.0225 -4.0220 -4.0220 -2.0192 -2.0192 -2.0180 -2.0180 0.2710 0.2710 0.2726 0.2726 1.3026 1.3026 1.3097 1.3097 1.5011 1.5011 1.5075 1.5075 2.3410 2.3410 2.3539 2.3539 2.6966 2.6966 2.7323 2.7323 2.8174 2.8174 2.9039 2.9039 3.1409 3.1409 3.2208 3.2208 3.2815 3.2815 3.3161 3.3161 3.6687 3.6687 3.6831 3.6831 3.9221 3.9221 3.9569 3.9569 4.3324 4.3324 4.3368 4.3368 4.6965 4.6965 4.7000 4.7000 6.8415 6.8415 6.8888 6.8888 7.2853 7.2853 7.3365 7.3365 7.6553 7.6553 7.7476 7.7476 7.8806 7.8806 k = 0.0000 0.2413 0.0239 ( 12646 PWs) bands (ev): -9.6518 -9.6518 -9.6515 -9.6515 -9.2691 -9.2691 -9.2689 -9.2689 -8.5789 -8.5789 -8.5788 -8.5788 -7.0437 -7.0437 -7.0432 -7.0432 -4.0230 -4.0230 -4.0225 -4.0225 -2.0202 -2.0202 -2.0190 -2.0190 0.2745 0.2745 0.2762 0.2762 1.3068 1.3068 1.3145 1.3145 1.5018 1.5018 1.5100 1.5100 2.3295 2.3295 2.3420 2.3420 2.6674 2.6674 2.7190 2.7190 2.8167 2.8167 2.9303 2.9303 3.1218 3.1218 3.2501 3.2501 3.2722 3.2722 3.3384 3.3384 3.6699 3.6699 3.6824 3.6824 3.9276 3.9276 3.9610 3.9610 4.3321 4.3321 4.3369 4.3369 4.6940 4.6940 4.6975 4.6975 6.8269 6.8269 6.8777 6.8777 7.2885 7.2885 7.3496 7.3496 7.6519 7.6519 7.7441 7.7441 7.8807 7.8807 k = 0.0000 0.2413 0.0359 ( 12648 PWs) bands (ev): -9.6496 -9.6496 -9.6492 -9.6492 -9.2737 -9.2737 -9.2735 -9.2735 -8.5761 -8.5761 -8.5759 -8.5759 -7.0438 -7.0438 -7.0433 -7.0433 -4.0238 -4.0238 -4.0233 -4.0233 -2.0217 -2.0217 -2.0206 -2.0206 0.2802 0.2802 0.2820 0.2820 1.3137 1.3137 1.3224 1.3224 1.5035 1.5035 1.5141 1.5141 2.3111 2.3111 2.3230 2.3230 2.6355 2.6355 2.6868 2.6868 2.8263 2.8263 2.9504 2.9504 3.1117 3.1117 3.2616 3.2616 3.2903 3.2903 3.3631 3.3631 3.6718 3.6718 3.6812 3.6812 3.9365 3.9365 3.9677 3.9677 4.3318 4.3318 4.3370 4.3370 4.6900 4.6900 4.6936 4.6936 6.8049 6.8049 6.8595 6.8595 7.2955 7.2955 7.3677 7.3677 7.6464 7.6464 7.7385 7.7385 7.8817 7.8817 k = 0.0000 0.2413 0.0478 ( 12648 PWs) bands (ev): -9.6464 -9.6464 -9.6460 -9.6460 -9.2801 -9.2801 -9.2799 -9.2799 -8.5723 -8.5723 -8.5721 -8.5721 -7.0439 -7.0439 -7.0435 -7.0435 -4.0248 -4.0248 -4.0244 -4.0244 -2.0238 -2.0238 -2.0228 -2.0228 0.2880 0.2880 0.2900 0.2900 1.3231 1.3231 1.3330 1.3330 1.5064 1.5064 1.5198 1.5198 2.2868 2.2868 2.2980 2.2980 2.6019 2.6019 2.6475 2.6475 2.8360 2.8360 2.9552 2.9552 3.1181 3.1181 3.2629 3.2629 3.3263 3.3263 3.3896 3.3896 3.6736 3.6736 3.6800 3.6800 3.9483 3.9483 3.9765 3.9765 4.3314 4.3314 4.3372 4.3372 4.6845 4.6845 4.6882 4.6882 6.7777 6.7777 6.8348 6.8348 7.3059 7.3059 7.3883 7.3883 7.6390 7.6390 7.7314 7.7314 7.8836 7.8836 k = 0.0000 0.2413 0.0598 ( 12622 PWs) bands (ev): -9.6424 -9.6424 -9.6420 -9.6420 -9.2880 -9.2880 -9.2877 -9.2877 -8.5677 -8.5677 -8.5676 -8.5676 -7.0441 -7.0441 -7.0437 -7.0437 -4.0261 -4.0261 -4.0257 -4.0257 -2.0264 -2.0264 -2.0254 -2.0254 0.2977 0.2977 0.2998 0.2998 1.3346 1.3346 1.3459 1.3459 1.5108 1.5108 1.5271 1.5271 2.2576 2.2576 2.2682 2.2682 2.5666 2.5666 2.6055 2.6055 2.8417 2.8417 2.9452 2.9452 3.1401 3.1401 3.2695 3.2695 3.3643 3.3643 3.4172 3.4172 3.6734 3.6734 3.6808 3.6808 3.9624 3.9624 3.9870 3.9870 4.3311 4.3311 4.3376 4.3376 4.6777 4.6777 4.6814 4.6814 6.7472 6.7472 6.8052 6.8052 7.3188 7.3188 7.4099 7.4099 7.6302 7.6302 7.7231 7.7231 7.8861 7.8861 k = 0.0000 0.2413 0.0717 ( 12614 PWs) bands (ev): -9.6376 -9.6376 -9.6372 -9.6372 -9.2971 -9.2971 -9.2968 -9.2968 -8.5626 -8.5626 -8.5624 -8.5624 -7.0443 -7.0443 -7.0439 -7.0439 -4.0276 -4.0276 -4.0272 -4.0272 -2.0293 -2.0293 -2.0283 -2.0283 0.3089 0.3089 0.3111 0.3111 1.3477 1.3477 1.3605 1.3605 1.5172 1.5172 1.5366 1.5366 2.2249 2.2249 2.2349 2.2349 2.5299 2.5299 2.5623 2.5623 2.8425 2.8425 2.9270 2.9270 3.1704 3.1704 3.2814 3.2814 3.4030 3.4030 3.4452 3.4452 3.6706 3.6706 3.6841 3.6841 3.9780 3.9780 3.9986 3.9986 4.3310 4.3310 4.3383 4.3383 4.6697 4.6697 4.6736 4.6736 6.7148 6.7148 6.7722 6.7722 7.3331 7.3331 7.4311 7.4311 7.6202 7.6202 7.7141 7.7141 7.8889 7.8889 k = 0.0000 0.2413 0.0837 ( 12616 PWs) bands (ev): -9.6321 -9.6321 -9.6317 -9.6317 -9.3073 -9.3073 -9.3070 -9.3070 -8.5569 -8.5569 -8.5568 -8.5568 -7.0445 -7.0445 -7.0442 -7.0442 -4.0292 -4.0292 -4.0288 -4.0288 -2.0325 -2.0325 -2.0316 -2.0316 0.3213 0.3213 0.3237 0.3237 1.3617 1.3617 1.3760 1.3760 1.5262 1.5262 1.5485 1.5485 2.1896 2.1896 2.1995 2.1995 2.4916 2.4916 2.5185 2.5185 2.8389 2.8389 2.9059 2.9059 3.2040 3.2040 3.2977 3.2977 3.4414 3.4414 3.4728 3.4728 3.6667 3.6667 3.6891 3.6891 3.9941 3.9941 4.0106 4.0106 4.3314 4.3314 4.3395 4.3395 4.6609 4.6609 4.6648 4.6648 6.6817 6.6817 6.7372 6.7372 7.3479 7.3479 7.4513 7.4513 7.6095 7.6095 7.7046 7.7046 7.8919 7.8919 k = 0.0000 0.2413 0.0956 ( 12612 PWs) bands (ev): -9.6259 -9.6259 -9.6255 -9.6255 -9.3183 -9.3183 -9.3179 -9.3179 -8.5511 -8.5511 -8.5509 -8.5509 -7.0448 -7.0448 -7.0444 -7.0444 -4.0309 -4.0309 -4.0306 -4.0306 -2.0359 -2.0359 -2.0350 -2.0350 0.3346 0.3346 0.3370 0.3370 1.3760 1.3760 1.3914 1.3914 1.5385 1.5385 1.5633 1.5633 2.1529 2.1529 2.1629 2.1629 2.4521 2.4521 2.4747 2.4747 2.8319 2.8319 2.8844 2.8844 3.2380 3.2380 3.3171 3.3171 3.4777 3.4777 3.4996 3.4996 3.6625 3.6625 3.6958 3.6958 4.0098 4.0098 4.0222 4.0222 4.3324 4.3324 4.3414 4.3414 4.6513 4.6513 4.6553 4.6553 6.6488 6.6488 6.7015 6.7015 7.3625 7.3625 7.4698 7.4698 7.5987 7.5987 7.6949 7.6949 7.8949 7.8949 k = 0.0000 0.2413 0.1076 ( 12596 PWs) bands (ev): -9.6192 -9.6192 -9.6189 -9.6189 -9.3297 -9.3297 -9.3294 -9.3294 -8.5453 -8.5453 -8.5451 -8.5451 -7.0450 -7.0450 -7.0447 -7.0447 -4.0327 -4.0327 -4.0323 -4.0323 -2.0393 -2.0393 -2.0385 -2.0385 0.3484 0.3484 0.3507 0.3507 1.3897 1.3897 1.4056 1.4056 1.5549 1.5549 1.5816 1.5816 2.1153 2.1153 2.1262 2.1262 2.4119 2.4119 2.4313 2.4313 2.8230 2.8230 2.8638 2.8638 3.2713 3.2713 3.3383 3.3383 3.5077 3.5077 3.5274 3.5274 3.6587 3.6587 3.7047 3.7047 4.0240 4.0240 4.0330 4.0330 4.3343 4.3343 4.3442 4.3442 4.6414 4.6414 4.6454 4.6454 6.6172 6.6172 6.6660 6.6660 7.3765 7.3765 7.4858 7.4858 7.5885 7.5885 7.6853 7.6853 7.8978 7.8978 k = 0.0000 0.2413 0.1195 ( 12574 PWs) bands (ev): -9.6122 -9.6122 -9.6119 -9.6119 -9.3414 -9.3414 -9.3410 -9.3410 -8.5397 -8.5397 -8.5395 -8.5395 -7.0453 -7.0453 -7.0450 -7.0450 -4.0344 -4.0344 -4.0341 -4.0341 -2.0425 -2.0425 -2.0418 -2.0418 0.3621 0.3621 0.3644 0.3644 1.4023 1.4023 1.4177 1.4177 1.5759 1.5759 1.6036 1.6036 2.0776 2.0776 2.0900 2.0900 2.3715 2.3715 2.3889 2.3889 2.8130 2.8130 2.8448 2.8448 3.3033 3.3033 3.3603 3.3603 3.5277 3.5277 3.5559 3.5559 3.6573 3.6573 3.7162 3.7162 4.0354 4.0354 4.0428 4.0428 4.3372 4.3372 4.3479 4.3479 4.6314 4.6314 4.6354 4.6354 6.5875 6.5875 6.6319 6.6319 7.3897 7.3897 7.4983 7.4983 7.5802 7.5802 7.6758 7.6758 7.9005 7.9005 k = 0.0000 0.2413 0.1315 ( 12572 PWs) bands (ev): -9.6050 -9.6050 -9.6047 -9.6047 -9.3529 -9.3529 -9.3525 -9.3525 -8.5344 -8.5344 -8.5342 -8.5342 -7.0455 -7.0455 -7.0452 -7.0452 -4.0360 -4.0360 -4.0357 -4.0357 -2.0456 -2.0456 -2.0450 -2.0450 0.3753 0.3753 0.3775 0.3775 1.4132 1.4132 1.4275 1.4275 1.6013 1.6013 1.6294 1.6294 2.0402 2.0402 2.0548 2.0548 2.3322 2.3322 2.3481 2.3481 2.8031 2.8031 2.8277 2.8277 3.3335 3.3335 3.3822 3.3822 3.5400 3.5400 3.5776 3.5776 3.6626 3.6626 3.7301 3.7301 4.0430 4.0430 4.0513 4.0513 4.3413 4.3413 4.3524 4.3524 4.6216 4.6216 4.6255 4.6255 6.5606 6.5606 6.5998 6.5998 7.4021 7.4021 7.5057 7.5057 7.5755 7.5755 7.6666 7.6666 7.9031 7.9031 k = 0.0000 0.2413 0.1434 ( 12574 PWs) bands (ev): -9.5979 -9.5979 -9.5976 -9.5976 -9.3638 -9.3638 -9.3635 -9.3635 -8.5296 -8.5296 -8.5295 -8.5295 -7.0457 -7.0457 -7.0455 -7.0455 -4.0375 -4.0375 -4.0373 -4.0373 -2.0484 -2.0484 -2.0479 -2.0479 0.3875 0.3875 0.3895 0.3895 1.4224 1.4224 1.4349 1.4349 1.6306 1.6306 1.6585 1.6585 2.0034 2.0034 2.0205 2.0205 2.2951 2.2951 2.3098 2.3098 2.7939 2.7939 2.8127 2.8127 3.3617 3.3617 3.4031 3.4031 3.5465 3.5465 3.5865 3.5865 3.6783 3.6783 3.7453 3.7453 4.0475 4.0475 4.0576 4.0576 4.3464 4.3464 4.3574 4.3574 4.6125 4.6125 4.6161 4.6161 6.5371 6.5371 6.5706 6.5706 7.4137 7.4137 7.5067 7.5067 7.5760 7.5760 7.6576 7.6576 7.9054 7.9054 k = 0.0000 0.2413 0.1554 ( 12574 PWs) bands (ev): -9.5912 -9.5912 -9.5910 -9.5910 -9.3738 -9.3738 -9.3735 -9.3735 -8.5256 -8.5256 -8.5255 -8.5255 -7.0459 -7.0459 -7.0457 -7.0457 -4.0388 -4.0388 -4.0386 -4.0386 -2.0508 -2.0508 -2.0504 -2.0504 0.3984 0.3984 0.4001 0.4001 1.4299 1.4299 1.4402 1.4402 1.6630 1.6630 1.6903 1.6903 1.9673 1.9673 1.9870 1.9870 2.2619 2.2619 2.2752 2.2752 2.7860 2.7860 2.8001 2.8001 3.3876 3.3876 3.4224 3.4224 3.5486 3.5486 3.5848 3.5848 3.7013 3.7013 3.7599 3.7599 4.0498 4.0498 4.0610 4.0610 4.3522 4.3522 4.3625 4.3625 4.6043 4.6043 4.6076 4.6076 6.5176 6.5176 6.5450 6.5450 7.4247 7.4247 7.5022 7.5022 7.5810 7.5810 7.6489 7.6489 7.9075 7.9075 k = 0.0000 0.2413 0.1673 ( 12564 PWs) bands (ev): -9.5853 -9.5853 -9.5851 -9.5851 -9.3824 -9.3824 -9.3821 -9.3821 -8.5223 -8.5223 -8.5222 -8.5222 -7.0460 -7.0460 -7.0459 -7.0459 -4.0398 -4.0398 -4.0397 -4.0397 -2.0528 -2.0528 -2.0525 -2.0525 0.4074 0.4074 0.4087 0.4087 1.4358 1.4358 1.4437 1.4437 1.6972 1.6972 1.7238 1.7238 1.9322 1.9322 1.9539 1.9539 2.2342 2.2342 2.2454 2.2454 2.7797 2.7797 2.7898 2.7898 3.4107 3.4107 3.4389 3.4389 3.5480 3.5480 3.5777 3.5777 3.7256 3.7256 3.7719 3.7719 4.0508 4.0508 4.0617 4.0617 4.3583 4.3583 4.3670 4.3670 4.5975 4.5975 4.6002 4.6002 6.5027 6.5027 6.5236 6.5236 7.4352 7.4352 7.4945 7.4945 7.5886 7.5886 7.6403 7.6403 7.9094 7.9094 k = 0.0000 0.2413 0.1793 ( 12566 PWs) bands (ev): -9.5806 -9.5806 -9.5804 -9.5804 -9.3890 -9.3890 -9.3888 -9.3888 -8.5198 -8.5198 -8.5198 -8.5198 -7.0461 -7.0461 -7.0460 -7.0460 -4.0406 -4.0406 -4.0405 -4.0405 -2.0542 -2.0542 -2.0540 -2.0540 0.4142 0.4142 0.4151 0.4151 1.4403 1.4403 1.4456 1.4456 1.7321 1.7321 1.7571 1.7571 1.8988 1.8988 1.9212 1.9212 2.2137 2.2137 2.2220 2.2220 2.7755 2.7755 2.7820 2.7820 3.4304 3.4304 3.4512 3.4512 3.5467 3.5467 3.5685 3.5685 3.7474 3.7474 3.7795 3.7795 4.0516 4.0516 4.0604 4.0604 4.3640 4.3640 4.3703 4.3703 4.5924 4.5924 4.5944 4.5944 6.4927 6.4927 6.5069 6.5069 7.4454 7.4454 7.4853 7.4853 7.5972 7.5972 7.6318 7.6318 7.9112 7.9112 k = 0.0000 0.2413 0.1912 ( 12560 PWs) bands (ev): -9.5775 -9.5775 -9.5774 -9.5774 -9.3931 -9.3931 -9.3931 -9.3931 -8.5184 -8.5184 -8.5183 -8.5183 -7.0461 -7.0461 -7.0461 -7.0461 -4.0410 -4.0410 -4.0410 -4.0410 -2.0550 -2.0550 -2.0549 -2.0549 0.4185 0.4185 0.4189 0.4189 1.4435 1.4435 1.4462 1.4462 1.7654 1.7654 1.7851 1.7851 1.8713 1.8713 1.8899 1.8899 2.2019 2.2019 2.2063 2.2063 2.7735 2.7735 2.7767 2.7767 3.4459 3.4459 3.4573 3.4573 3.5472 3.5472 3.5591 3.5591 3.7648 3.7648 3.7813 3.7813 4.0529 4.0529 4.0578 4.0578 4.3684 4.3684 4.3717 4.3717 4.5895 4.5895 4.5906 4.5906 6.4881 6.4881 6.4952 6.4952 7.4555 7.4555 7.4755 7.4755 7.6059 7.6059 7.6233 7.6233 7.9127 7.9128 k = 0.0000 0.2413 0.2032 ( 12556 PWs) bands (ev): -9.5764 -9.5764 -9.5764 -9.5764 -9.3946 -9.3946 -9.3946 -9.3946 -8.5178 -8.5178 -8.5178 -8.5178 -7.0461 -7.0461 -7.0461 -7.0461 -4.0412 -4.0412 -4.0412 -4.0412 -2.0553 -2.0553 -2.0553 -2.0553 0.4201 0.4201 0.4201 0.4201 1.4454 1.4454 1.4454 1.4454 1.7897 1.7897 1.7897 1.7897 1.8666 1.8666 1.8666 1.8666 2.1994 2.1994 2.1994 2.1994 2.7739 2.7739 2.7739 2.7739 3.4554 3.4554 3.4554 3.4554 3.5514 3.5514 3.5514 3.5514 3.7763 3.7763 3.7763 3.7763 4.0550 4.0550 4.0550 4.0550 4.3711 4.3711 4.3711 4.3711 4.5889 4.5889 4.5889 4.5889 6.4889 6.4889 6.4889 6.4889 7.4655 7.4655 7.4655 7.4655 7.6147 7.6147 7.6147 7.6147 7.9141 7.9141 k = 0.5000-0.0000 0.2032 ( 12572 PWs) bands (ev): -9.1048 -9.1048 -9.1046 -9.1046 -8.9763 -8.9763 -8.9762 -8.9762 -7.6788 -7.6788 -7.6764 -7.6764 -7.5425 -7.5425 -7.5395 -7.5395 -3.7072 -3.7072 -3.7071 -3.7071 -3.6127 -3.6127 -3.6107 -3.6107 -0.1020 -0.1020 -0.0889 -0.0889 0.2051 0.2051 0.2123 0.2123 0.8929 0.8929 0.8955 0.8955 1.2332 1.2332 1.2356 1.2356 1.9389 1.9389 1.9885 1.9885 2.2409 2.2409 2.2415 2.2415 2.9333 2.9333 2.9430 2.9430 3.2618 3.2618 3.3041 3.3041 3.4533 3.4533 3.4763 3.4763 3.6477 3.6477 3.7267 3.7267 3.8445 3.8445 3.8887 3.8887 4.6987 4.6987 4.7080 4.7080 7.4459 7.4459 7.4690 7.4690 7.6092 7.6092 7.6333 7.6333 7.9343 7.9343 7.9555 7.9555 8.6032 8.6032 k = 0.5000-0.0000 0.1912 ( 12552 PWs) bands (ev): -9.1048 -9.1048 -9.1046 -9.1046 -8.9763 -8.9763 -8.9762 -8.9762 -7.6786 -7.6786 -7.6761 -7.6761 -7.5428 -7.5428 -7.5398 -7.5398 -3.7072 -3.7072 -3.7071 -3.7071 -3.6126 -3.6126 -3.6107 -3.6107 -0.1030 -0.1030 -0.0889 -0.0889 0.1998 0.1998 0.2125 0.2125 0.8896 0.8896 0.9001 0.9001 1.2371 1.2371 1.2420 1.2420 1.9339 1.9339 1.9815 1.9815 2.2467 2.2467 2.2531 2.2531 2.9240 2.9240 2.9450 2.9450 3.2625 3.2625 3.3082 3.3082 3.4518 3.4518 3.4754 3.4754 3.6455 3.6455 3.7252 3.7252 3.8421 3.8421 3.8864 3.8864 4.6958 4.6958 4.7051 4.7051 7.4350 7.4350 7.4759 7.4759 7.6084 7.6084 7.6482 7.6482 7.9379 7.9379 7.9596 7.9596 8.6039 8.6039 k = 0.5000-0.0000 0.1793 ( 12552 PWs) bands (ev): -9.1048 -9.1048 -9.1046 -9.1046 -8.9763 -8.9763 -8.9762 -8.9762 -7.6777 -7.6777 -7.6752 -7.6752 -7.5436 -7.5436 -7.5407 -7.5407 -3.7070 -3.7070 -3.7069 -3.7069 -3.6126 -3.6126 -3.6107 -3.6107 -0.1058 -0.1058 -0.0892 -0.0892 0.1881 0.1881 0.2097 0.2097 0.8872 0.8872 0.9065 0.9065 1.2507 1.2507 1.2589 1.2589 1.9207 1.9207 1.9636 1.9636 2.2669 2.2669 2.2807 2.2807 2.9053 2.9053 2.9426 2.9426 3.2649 3.2649 3.3191 3.3191 3.4475 3.4475 3.4726 3.4726 3.6393 3.6393 3.7209 3.7209 3.8349 3.8349 3.8796 3.8796 4.6873 4.6873 4.6965 4.6965 7.4183 7.4183 7.4798 7.4798 7.6206 7.6206 7.6782 7.6782 7.9483 7.9483 7.9719 7.9719 8.6064 8.6064 k = 0.5000-0.0000 0.1673 ( 12542 PWs) bands (ev): -9.1049 -9.1049 -9.1047 -9.1047 -8.9763 -8.9763 -8.9762 -8.9762 -7.6763 -7.6763 -7.6738 -7.6738 -7.5450 -7.5450 -7.5420 -7.5420 -3.7068 -3.7068 -3.7067 -3.7067 -3.6125 -3.6125 -3.6107 -3.6107 -0.1099 -0.1099 -0.0900 -0.0900 0.1722 0.1722 0.2021 0.2021 0.8872 0.8872 0.9134 0.9134 1.2738 1.2738 1.2846 1.2846 1.9028 1.9028 1.9402 1.9402 2.2973 2.2973 2.3195 2.3195 2.8812 2.8812 2.9334 2.9334 3.2692 3.2692 3.3341 3.3341 3.4407 3.4407 3.4682 3.4682 3.6296 3.6296 3.7139 3.7139 3.8235 3.8235 3.8687 3.8687 4.6733 4.6733 4.6823 4.6823 7.4040 7.4040 7.4760 7.4760 7.6500 7.6500 7.7145 7.7145 7.9654 7.9654 7.9930 7.9930 8.6109 8.6109 k = 0.5000-0.0000 0.1554 ( 12554 PWs) bands (ev): -9.1049 -9.1049 -9.1047 -9.1047 -8.9763 -8.9763 -8.9762 -8.9762 -7.6743 -7.6743 -7.6718 -7.6718 -7.5469 -7.5469 -7.5439 -7.5439 -3.7066 -3.7066 -3.7064 -3.7064 -3.6124 -3.6124 -3.6106 -3.6106 -0.1148 -0.1148 -0.0914 -0.0914 0.1532 0.1532 0.1902 0.1902 0.8900 0.8900 0.9208 0.9208 1.3051 1.3051 1.3178 1.3178 1.8835 1.8835 1.9155 1.9155 2.3339 2.3339 2.3653 2.3653 2.8529 2.8529 2.9185 2.9185 3.2738 3.2738 3.3505 3.3505 3.4320 3.4320 3.4630 3.4630 3.6176 3.6176 3.7047 3.7047 3.8084 3.8084 3.8543 3.8543 4.6541 4.6541 4.6627 4.6627 7.3935 7.3935 7.4693 7.4693 7.6910 7.6910 7.7542 7.7542 7.9889 7.9889 8.0233 8.0233 8.6170 8.6170 k = 0.5000-0.0000 0.1434 ( 12562 PWs) bands (ev): -9.1050 -9.1050 -9.1049 -9.1049 -8.9763 -8.9763 -8.9763 -8.9763 -7.6718 -7.6718 -7.6693 -7.6693 -7.5493 -7.5493 -7.5464 -7.5464 -3.7062 -3.7062 -3.7060 -3.7060 -3.6123 -3.6123 -3.6106 -3.6106 -0.1201 -0.1201 -0.0932 -0.0932 0.1317 0.1317 0.1745 0.1745 0.8953 0.8953 0.9287 0.9287 1.3431 1.3431 1.3571 1.3571 1.8654 1.8654 1.8922 1.8922 2.3737 2.3737 2.4157 2.4157 2.8213 2.8213 2.8995 2.8995 3.2761 3.2761 3.3651 3.3651 3.4226 3.4226 3.4580 3.4580 3.6046 3.6046 3.6937 3.6937 3.7907 3.7907 3.8371 3.8371 4.6300 4.6300 4.6382 4.6382 7.3873 7.3873 7.4630 7.4630 7.7388 7.7388 7.7960 7.7960 8.0183 8.0183 8.0628 8.0628 8.6244 8.6244 k = 0.5000-0.0000 0.1315 ( 12566 PWs) bands (ev): -9.1051 -9.1051 -9.1050 -9.1050 -8.9763 -8.9763 -8.9763 -8.9763 -7.6688 -7.6688 -7.6663 -7.6663 -7.5522 -7.5522 -7.5493 -7.5493 -3.7058 -3.7058 -3.7056 -3.7056 -3.6122 -3.6122 -3.6105 -3.6105 -0.1256 -0.1256 -0.0952 -0.0952 0.1086 0.1086 0.1558 0.1558 0.9029 0.9029 0.9370 0.9370 1.3860 1.3860 1.4012 1.4012 1.8504 1.8504 1.8720 1.8720 2.4140 2.4140 2.4688 2.4688 2.7869 2.7869 2.8784 2.8784 3.2732 3.2732 3.3710 3.3710 3.4159 3.4159 3.4555 3.4555 3.5921 3.5921 3.6817 3.6817 3.7717 3.7717 3.8184 3.8184 4.6015 4.6015 4.6091 4.6091 7.3850 7.3850 7.4586 7.4586 7.7907 7.7907 7.8391 7.8391 8.0535 8.0535 8.1111 8.1111 8.6322 8.6322 k = 0.5000-0.0000 0.1195 ( 12574 PWs) bands (ev): -9.1053 -9.1053 -9.1051 -9.1051 -8.9763 -8.9763 -8.9763 -8.9763 -7.6654 -7.6654 -7.6628 -7.6628 -7.5556 -7.5556 -7.5527 -7.5527 -3.7054 -3.7054 -3.7051 -3.7051 -3.6120 -3.6120 -3.6104 -3.6104 -0.1308 -0.1308 -0.0973 -0.0973 0.0847 0.0847 0.1351 0.1351 0.9120 0.9120 0.9455 0.9455 1.4320 1.4320 1.4486 1.4486 1.8400 1.8400 1.8562 1.8562 2.4520 2.4520 2.5233 2.5233 2.7506 2.7506 2.8580 2.8580 3.2637 3.2637 3.3615 3.3615 3.4139 3.4139 3.4584 3.4584 3.5809 3.5809 3.6702 3.6702 3.7534 3.7534 3.7995 3.7995 4.5691 4.5691 4.5760 4.5760 7.3863 7.3863 7.4563 7.4563 7.8443 7.8443 7.8835 7.8835 8.0938 8.0938 8.1667 8.1667 8.6399 8.6399 k = 0.5000-0.0000 0.1076 ( 12562 PWs) bands (ev): -9.1054 -9.1054 -9.1052 -9.1052 -8.9763 -8.9763 -8.9763 -8.9763 -7.6614 -7.6614 -7.6589 -7.6589 -7.5594 -7.5594 -7.5565 -7.5565 -3.7049 -3.7049 -3.7046 -3.7046 -3.6119 -3.6119 -3.6104 -3.6104 -0.1354 -0.1354 -0.0991 -0.0991 0.0604 0.0604 0.1130 0.1130 0.9221 0.9221 0.9538 0.9538 1.4791 1.4791 1.4976 1.4976 1.8356 1.8356 1.8459 1.8459 2.4839 2.4839 2.5770 2.5770 2.7138 2.7138 2.8413 2.8413 3.2478 3.2478 3.3410 3.3410 3.4085 3.4085 3.4678 3.4678 3.5694 3.5694 3.6613 3.6613 3.7380 3.7380 3.7822 3.7822 4.5334 4.5334 4.5396 4.5396 7.3905 7.3905 7.4558 7.4558 7.8978 7.8978 7.9300 7.9300 8.1386 8.1386 8.2279 8.2279 8.6466 8.6466 k = 0.5000-0.0000 0.0956 ( 12568 PWs) bands (ev): -9.1055 -9.1055 -9.1054 -9.1054 -8.9763 -8.9763 -8.9763 -8.9763 -7.6571 -7.6571 -7.6546 -7.6546 -7.5636 -7.5636 -7.5608 -7.5608 -3.7044 -3.7044 -3.7041 -3.7041 -3.6117 -3.6117 -3.6103 -3.6103 -0.1391 -0.1391 -0.1003 -0.1003 0.0364 0.0364 0.0904 0.0904 0.9324 0.9324 0.9617 0.9617 1.5252 1.5252 1.5462 1.5462 1.8385 1.8385 1.8424 1.8424 2.5054 2.5054 2.6202 2.6202 2.6857 2.6857 2.8328 2.8328 3.2270 3.2270 3.3150 3.3150 3.3962 3.3962 3.4790 3.4790 3.5554 3.5554 3.6560 3.6560 3.7286 3.7286 3.7691 3.7691 4.4950 4.4950 4.5005 4.5005 7.3970 7.3970 7.4569 7.4569 7.9495 7.9495 7.9792 7.9792 8.1863 8.1863 8.2926 8.2926 8.6518 8.6518 k = 0.5000-0.0000 0.0837 ( 12566 PWs) bands (ev): -9.1056 -9.1056 -9.1055 -9.1055 -8.9764 -8.9764 -8.9763 -8.9763 -7.6525 -7.6525 -7.6499 -7.6499 -7.5682 -7.5682 -7.5653 -7.5653 -3.7039 -3.7039 -3.7036 -3.7036 -3.6115 -3.6115 -3.6103 -3.6103 -0.1417 -0.1417 -0.1008 -0.1008 0.0131 0.0131 0.0678 0.0678 0.9424 0.9424 0.9688 0.9688 1.5679 1.5679 1.5917 1.5917 1.8468 1.8468 1.8506 1.8506 2.5123 2.5123 2.6102 2.6102 2.7083 2.7083 2.8362 2.8362 3.2031 3.2031 3.2866 3.2866 3.3783 3.3783 3.4831 3.4831 3.5417 3.5417 3.6509 3.6509 3.7287 3.7287 3.7626 3.7626 4.4549 4.4549 4.4596 4.4596 7.4051 7.4051 7.4589 7.4589 7.9987 7.9987 8.0310 8.0310 8.2350 8.2350 8.3581 8.3581 8.6550 8.6550 k = 0.5000-0.0000 0.0717 ( 12558 PWs) bands (ev): -9.1058 -9.1058 -9.1056 -9.1056 -8.9764 -8.9764 -8.9764 -8.9764 -7.6475 -7.6475 -7.6450 -7.6450 -7.5730 -7.5730 -7.5702 -7.5702 -3.7034 -3.7034 -3.7032 -3.7032 -3.6114 -3.6114 -3.6103 -3.6103 -0.1430 -0.1430 -0.1002 -0.1002 -0.0090 -0.0090 0.0458 0.0458 0.9518 0.9518 0.9748 0.9748 1.6050 1.6050 1.6309 1.6309 1.8619 1.8619 1.8716 1.8716 2.5035 2.5035 2.5704 2.5704 2.7576 2.7576 2.8523 2.8523 3.1782 3.1782 3.2582 3.2582 3.3564 3.3564 3.4695 3.4695 3.5376 3.5376 3.6419 3.6419 3.7398 3.7398 3.7646 3.7646 4.4139 4.4139 4.4181 4.4181 7.4142 7.4142 7.4613 7.4613 8.0461 8.0461 8.0837 8.0837 8.2823 8.2823 8.4208 8.4208 8.6567 8.6567 k = 0.5000-0.0000 0.0598 ( 12566 PWs) bands (ev): -9.1059 -9.1059 -9.1058 -9.1058 -8.9764 -8.9764 -8.9764 -8.9764 -7.6424 -7.6424 -7.6399 -7.6399 -7.5780 -7.5780 -7.5753 -7.5753 -3.7030 -3.7030 -3.7028 -3.7028 -3.6112 -3.6112 -3.6103 -3.6103 -0.1428 -0.1428 -0.0986 -0.0986 -0.0296 -0.0296 0.0247 0.0247 0.9601 0.9601 0.9796 0.9796 1.6352 1.6352 1.6612 1.6612 1.8882 1.8882 1.9019 1.9019 2.4819 2.4819 2.5260 2.5260 2.8080 2.8080 2.8777 2.8777 3.1545 3.1545 3.2319 3.2319 3.3316 3.3316 3.4409 3.4409 3.5413 3.5413 3.6294 3.6294 3.7586 3.7586 3.7748 3.7748 4.3732 4.3732 4.3771 4.3771 7.4236 7.4236 7.4636 7.4636 8.0920 8.0920 8.1352 8.1352 8.3253 8.3253 8.4754 8.4754 8.6594 8.6594 k = 0.5000-0.0000 0.0478 ( 12574 PWs) bands (ev): -9.1059 -9.1059 -9.1059 -9.1059 -8.9764 -8.9764 -8.9764 -8.9764 -7.6371 -7.6371 -7.6347 -7.6347 -7.5831 -7.5831 -7.5805 -7.5805 -3.7026 -3.7026 -3.7024 -3.7024 -3.6111 -3.6111 -3.6103 -3.6103 -0.1409 -0.1409 -0.0962 -0.0962 -0.0479 -0.0479 0.0050 0.0050 0.9673 0.9673 0.9830 0.9830 1.6586 1.6586 1.6820 1.6820 1.9238 1.9238 1.9388 1.9388 2.4519 2.4519 2.4806 2.4806 2.8551 2.8551 2.9075 2.9075 3.1343 3.1343 3.2099 3.2099 3.3053 3.3053 3.4060 3.4060 3.5464 3.5464 3.6155 3.6155 3.7810 3.7810 3.7913 3.7913 4.3344 4.3344 4.3382 4.3382 7.4329 7.4329 7.4653 7.4653 8.1363 8.1363 8.1833 8.1833 8.3618 8.3618 8.5127 8.5127 8.6690 8.6690 k = 0.5000-0.0000 0.0359 ( 12566 PWs) bands (ev): -9.1060 -9.1060 -9.1060 -9.1060 -8.9764 -8.9764 -8.9764 -8.9764 -7.6319 -7.6319 -7.6296 -7.6296 -7.5881 -7.5881 -7.5857 -7.5857 -3.7022 -3.7022 -3.7021 -3.7021 -3.6109 -3.6109 -3.6103 -3.6103 -0.1372 -0.1372 -0.0940 -0.0940 -0.0625 -0.0625 -0.0132 -0.0132 0.9732 0.9732 0.9851 0.9851 1.6764 1.6764 1.6951 1.6951 1.9645 1.9645 1.9784 1.9784 2.4183 2.4183 2.4364 2.4364 2.8964 2.8964 2.9360 2.9360 3.1207 3.1207 3.1934 3.1934 3.2799 3.2799 3.3687 3.3687 3.5513 3.5513 3.6019 3.6019 3.8034 3.8034 3.8107 3.8107 4.2996 4.2996 4.3031 4.3031 7.4416 7.4416 7.4662 7.4662 8.1778 8.1778 8.2250 8.2250 8.3910 8.3910 8.5249 8.5249 8.6907 8.6907 k = 0.5000-0.0000 0.0239 ( 12558 PWs) bands (ev): -9.1061 -9.1061 -9.1060 -9.1060 -8.9764 -8.9764 -8.9764 -8.9764 -7.6270 -7.6270 -7.6250 -7.6250 -7.5927 -7.5927 -7.5906 -7.5906 -3.7020 -3.7020 -3.7019 -3.7019 -3.6108 -3.6108 -3.6104 -3.6104 -0.1316 -0.1316 -0.0963 -0.0963 -0.0690 -0.0690 -0.0296 -0.0296 0.9780 0.9780 0.9859 0.9859 1.6894 1.6894 1.7024 1.7024 2.0042 2.0042 2.0151 2.0151 2.3860 2.3860 2.3967 2.3967 2.9293 2.9293 2.9575 2.9575 3.1176 3.1176 3.1808 3.1808 3.2605 3.2605 3.3316 3.3316 3.5565 3.5565 3.5895 3.5895 3.8233 3.8233 3.8287 3.8287 4.2714 4.2714 4.2743 4.2743 7.4493 7.4493 7.4658 7.4658 8.2148 8.2148 8.2555 8.2555 8.4153 8.4153 8.5155 8.5155 8.7184 8.7184 k = 0.5000-0.0000 0.0120 ( 12582 PWs) bands (ev): -9.1061 -9.1061 -9.1061 -9.1061 -8.9764 -8.9764 -8.9764 -8.9764 -7.6229 -7.6229 -7.6216 -7.6216 -7.5960 -7.5960 -7.5946 -7.5946 -3.7018 -3.7018 -3.7018 -3.7018 -3.6107 -3.6107 -3.6105 -3.6105 -0.1242 -0.1242 -0.1050 -0.1050 -0.0652 -0.0652 -0.0440 -0.0440 0.9817 0.9817 0.9856 0.9856 1.6984 1.6984 1.7050 1.7050 2.0355 2.0355 2.0417 2.0417 2.3617 2.3617 2.3668 2.3668 2.9524 2.9524 2.9675 2.9675 3.1270 3.1270 3.1657 3.1657 3.2560 3.2560 3.2974 3.2974 3.5625 3.5625 3.5788 3.5788 3.8380 3.8380 3.8410 3.8410 4.2530 4.2530 4.2548 4.2548 7.4557 7.4557 7.4640 7.4640 8.2450 8.2450 8.2693 8.2693 8.4399 8.4399 8.4939 8.4939 8.7419 8.7419 k = 0.5000-0.0000-0.0000 ( 12576 PWs) bands (ev): -9.1061 -9.1061 -9.1061 -9.1061 -8.9764 -8.9764 -8.9764 -8.9764 -7.6208 -7.6208 -7.6208 -7.6208 -7.5968 -7.5968 -7.5968 -7.5968 -3.7017 -3.7017 -3.7017 -3.7017 -3.6106 -3.6106 -3.6106 -3.6106 -0.1151 -0.1151 -0.1151 -0.1151 -0.0561 -0.0561 -0.0561 -0.0561 0.9842 0.9842 0.9842 0.9842 1.7036 1.7036 1.7036 1.7036 2.0497 2.0497 2.0497 2.0497 2.3539 2.3539 2.3539 2.3539 2.9653 2.9653 2.9653 2.9653 3.1456 3.1456 3.1456 3.1456 3.2702 3.2702 3.2702 3.2702 3.5699 3.5699 3.5699 3.5699 3.8444 3.8444 3.8444 3.8444 4.2472 4.2472 4.2472 4.2472 7.4606 7.4606 7.4606 7.4606 8.2647 8.2647 8.2647 8.2647 8.4669 8.4669 8.4669 8.4669 8.7553 8.7553 k = 0.5000 0.2413-0.0000 ( 12584 PWs) bands (ev): -9.0420 -9.0420 -9.0419 -9.0419 -9.0417 -9.0417 -9.0415 -9.0415 -7.6108 -7.6108 -7.6106 -7.6106 -7.6084 -7.6084 -7.6077 -7.6077 -3.6701 -3.6701 -3.6678 -3.6678 -3.6646 -3.6646 -3.6642 -3.6642 -0.0539 -0.0539 -0.0481 -0.0481 -0.0196 -0.0196 -0.0174 -0.0174 1.3870 1.3870 1.3878 1.3878 1.3911 1.3911 1.4348 1.4348 2.1222 2.1222 2.1327 2.1327 2.1396 2.1396 2.1746 2.1746 2.9200 2.9200 2.9405 2.9405 3.0203 3.0203 3.0607 3.0607 3.3655 3.3655 3.3713 3.3713 3.3727 3.3727 3.3831 3.3831 3.9614 3.9614 4.0176 4.0176 4.0201 4.0201 4.0304 4.0304 7.8009 7.8009 7.8417 7.8417 7.9432 7.9432 7.9609 7.9609 8.4136 8.4136 8.4148 8.4148 8.4317 8.4317 k = 0.5000 0.2413 0.0120 ( 12576 PWs) bands (ev): -9.0421 -9.0421 -9.0421 -9.0421 -9.0415 -9.0415 -9.0414 -9.0414 -7.6109 -7.6109 -7.6107 -7.6107 -7.6084 -7.6084 -7.6077 -7.6077 -3.6706 -3.6706 -3.6672 -3.6672 -3.6657 -3.6657 -3.6631 -3.6631 -0.0558 -0.0558 -0.0453 -0.0453 -0.0228 -0.0228 -0.0137 -0.0137 1.3807 1.3807 1.3840 1.3840 1.3951 1.3951 1.4346 1.4346 2.1216 2.1216 2.1330 2.1330 2.1419 2.1419 2.1777 2.1777 2.9068 2.9068 2.9498 2.9498 3.0136 3.0136 3.0585 3.0585 3.3539 3.3539 3.3657 3.3657 3.3934 3.3934 3.3961 3.3961 3.9604 3.9604 4.0174 4.0174 4.0177 4.0177 4.0323 4.0323 7.7994 7.7994 7.8431 7.8431 7.9395 7.9395 7.9629 7.9629 8.4101 8.4101 8.4202 8.4202 8.4300 8.4300 k = 0.5000 0.2413 0.0239 ( 12588 PWs) bands (ev): -9.0424 -9.0424 -9.0424 -9.0424 -9.0412 -9.0412 -9.0411 -9.0411 -7.6110 -7.6110 -7.6108 -7.6108 -7.6084 -7.6084 -7.6077 -7.6077 -3.6715 -3.6715 -3.6668 -3.6668 -3.6660 -3.6660 -3.6617 -3.6617 -0.0585 -0.0585 -0.0401 -0.0401 -0.0263 -0.0263 -0.0084 -0.0084 1.3696 1.3696 1.3755 1.3755 1.3975 1.3975 1.4333 1.4333 2.1205 2.1205 2.1346 2.1346 2.1474 2.1474 2.1859 2.1859 2.8853 2.8853 2.9603 2.9603 2.9966 2.9966 3.0513 3.0513 3.3432 3.3432 3.3721 3.3721 3.4161 3.4161 3.4240 3.4240 3.9575 3.9575 4.0121 4.0121 4.0178 4.0178 4.0355 4.0355 7.7953 7.7953 7.8465 7.8465 7.9307 7.9307 7.9660 7.9660 8.4079 8.4079 8.4260 8.4260 8.4280 8.4280 k = 0.5000 0.2413 0.0359 ( 12588 PWs) bands (ev): -9.0426 -9.0426 -9.0426 -9.0426 -9.0409 -9.0409 -9.0408 -9.0408 -7.6112 -7.6112 -7.6110 -7.6110 -7.6083 -7.6083 -7.6076 -7.6076 -3.6724 -3.6724 -3.6679 -3.6679 -3.6646 -3.6646 -3.6603 -3.6603 -0.0606 -0.0606 -0.0340 -0.0340 -0.0291 -0.0291 -0.0026 -0.0026 1.3561 1.3561 1.3629 1.3629 1.3968 1.3968 1.4303 1.4303 2.1202 2.1202 2.1382 2.1382 2.1549 2.1549 2.1973 2.1973 2.8632 2.8632 2.9660 2.9660 2.9744 2.9744 3.0395 3.0395 3.3398 3.3398 3.3852 3.3852 3.4445 3.4445 3.4536 3.4536 3.9535 3.9535 4.0062 4.0062 4.0186 4.0186 4.0389 4.0389 7.7892 7.7892 7.8511 7.8511 7.9190 7.9190 7.9679 7.9679 8.4077 8.4077 8.4212 8.4212 8.4381 8.4381 k = 0.5000 0.2413 0.0478 ( 12596 PWs) bands (ev): -9.0429 -9.0429 -9.0429 -9.0429 -9.0406 -9.0406 -9.0405 -9.0405 -7.6115 -7.6115 -7.6112 -7.6112 -7.6082 -7.6082 -7.6076 -7.6076 -3.6733 -3.6733 -3.6689 -3.6689 -3.6631 -3.6631 -3.6589 -3.6589 -0.0620 -0.0620 -0.0315 -0.0315 -0.0270 -0.0270 0.0036 0.0036 1.3406 1.3406 1.3475 1.3475 1.3935 1.3935 1.4251 1.4251 2.1211 2.1211 2.1434 2.1434 2.1634 2.1634 2.2098 2.2098 2.8431 2.8431 2.9507 2.9507 2.9674 2.9674 3.0257 3.0257 3.3425 3.3425 3.4016 3.4016 3.4744 3.4744 3.4822 3.4822 3.9491 3.9491 4.0012 4.0012 4.0207 4.0207 4.0423 4.0423 7.7818 7.7818 7.8558 7.8558 7.9049 7.9049 7.9678 7.9678 8.4099 8.4099 8.4170 8.4170 8.4506 8.4506 k = 0.5000 0.2413 0.0598 ( 12596 PWs) bands (ev): -9.0431 -9.0431 -9.0431 -9.0431 -9.0403 -9.0403 -9.0402 -9.0402 -7.6117 -7.6117 -7.6115 -7.6115 -7.6081 -7.6081 -7.6075 -7.6075 -3.6740 -3.6740 -3.6698 -3.6698 -3.6615 -3.6615 -3.6575 -3.6575 -0.0626 -0.0626 -0.0333 -0.0333 -0.0194 -0.0194 0.0102 0.0102 1.3238 1.3238 1.3302 1.3302 1.3878 1.3878 1.4175 1.4175 2.1232 2.1232 2.1496 2.1496 2.1722 2.1722 2.2218 2.2218 2.8269 2.8269 2.9283 2.9283 2.9663 2.9663 3.0127 3.0127 3.3489 3.3489 3.4175 3.4175 3.5025 3.5025 3.5074 3.5074 3.9458 3.9458 3.9983 3.9983 4.0249 4.0249 4.0464 4.0464 7.7730 7.7730 7.8598 7.8598 7.8885 7.8885 7.9651 7.9651 8.4141 8.4141 8.4146 8.4146 8.4658 8.4658 k = 0.5000 0.2413 0.0717 ( 12596 PWs) bands (ev): -9.0433 -9.0433 -9.0433 -9.0433 -9.0400 -9.0400 -9.0399 -9.0399 -7.6120 -7.6120 -7.6118 -7.6118 -7.6081 -7.6081 -7.6075 -7.6075 -3.6746 -3.6746 -3.6707 -3.6707 -3.6599 -3.6599 -3.6561 -3.6561 -0.0626 -0.0626 -0.0346 -0.0346 -0.0114 -0.0114 0.0171 0.0171 1.3062 1.3062 1.3118 1.3118 1.3803 1.3803 1.4081 1.4081 2.1261 2.1261 2.1560 2.1560 2.1804 2.1804 2.2319 2.2319 2.8163 2.8163 2.9090 2.9090 2.9650 2.9650 3.0027 3.0027 3.3563 3.3563 3.4297 3.4297 3.5259 3.5259 3.5267 3.5267 3.9453 3.9453 3.9990 3.9990 4.0319 4.0319 4.0517 4.0517 7.7630 7.7630 7.8626 7.8626 7.8699 7.8699 7.9595 7.9595 8.4133 8.4133 8.4221 8.4221 8.4837 8.4837 k = 0.5000 0.2413 0.0837 ( 12588 PWs) bands (ev): -9.0435 -9.0435 -9.0435 -9.0435 -9.0397 -9.0397 -9.0396 -9.0396 -7.6124 -7.6124 -7.6121 -7.6121 -7.6080 -7.6080 -7.6075 -7.6075 -3.6751 -3.6751 -3.6714 -3.6714 -3.6584 -3.6584 -3.6548 -3.6548 -0.0619 -0.0619 -0.0355 -0.0355 -0.0029 -0.0029 0.0240 0.0240 1.2882 1.2882 1.2930 1.2930 1.3714 1.3714 1.3971 1.3971 2.1293 2.1293 2.1617 2.1617 2.1876 2.1876 2.2390 2.2390 2.8124 2.8124 2.8942 2.8942 2.9653 2.9653 2.9973 2.9973 3.3624 3.3624 3.4363 3.4363 3.5381 3.5381 3.5418 3.5418 3.9493 3.9493 4.0044 4.0044 4.0424 4.0424 4.0588 4.0588 7.7519 7.7519 7.8494 7.8494 7.8636 7.8636 7.9511 7.9511 8.4153 8.4153 8.4323 8.4323 8.5045 8.5045 k = 0.5000 0.2413 0.0956 ( 12588 PWs) bands (ev): -9.0437 -9.0437 -9.0437 -9.0437 -9.0394 -9.0394 -9.0394 -9.0394 -7.6127 -7.6127 -7.6124 -7.6124 -7.6079 -7.6079 -7.6075 -7.6075 -3.6755 -3.6755 -3.6721 -3.6721 -3.6568 -3.6568 -3.6535 -3.6535 -0.0607 -0.0607 -0.0361 -0.0361 0.0057 0.0057 0.0309 0.0309 1.2703 1.2703 1.2743 1.2743 1.3617 1.3617 1.3851 1.3851 2.1322 2.1322 2.1659 2.1659 2.1933 2.1933 2.2426 2.2426 2.8157 2.8157 2.8848 2.8848 2.9686 2.9686 2.9974 2.9974 3.3657 3.3657 3.4359 3.4359 3.5403 3.5403 3.5486 3.5486 3.9588 3.9588 4.0149 4.0149 4.0563 4.0563 4.0679 4.0679 7.7399 7.7399 7.8275 7.8275 7.8627 7.8627 7.9402 7.9402 8.4202 8.4202 8.4450 8.4450 8.5279 8.5279 k = 0.5000 0.2413 0.1076 ( 12576 PWs) bands (ev): -9.0439 -9.0439 -9.0438 -9.0438 -9.0391 -9.0391 -9.0391 -9.0391 -7.6130 -7.6130 -7.6127 -7.6127 -7.6079 -7.6079 -7.6075 -7.6075 -3.6758 -3.6758 -3.6727 -3.6727 -3.6553 -3.6553 -3.6523 -3.6523 -0.0590 -0.0590 -0.0365 -0.0365 0.0144 0.0144 0.0376 0.0376 1.2530 1.2530 1.2562 1.2562 1.3518 1.3518 1.3727 1.3727 2.1346 2.1346 2.1681 2.1681 2.1974 2.1974 2.2427 2.2427 2.8263 2.8263 2.8813 2.8813 2.9756 2.9756 3.0033 3.0033 3.3651 3.3651 3.4283 3.4283 3.5334 3.5334 3.5457 3.5457 3.9739 3.9739 4.0299 4.0299 4.0733 4.0733 4.0792 4.0792 7.7273 7.7273 7.8047 7.8047 7.8599 7.8599 7.9271 7.9271 8.4282 8.4282 8.4594 8.4594 8.5534 8.5534 k = 0.5000 0.2413 0.1195 ( 12560 PWs) bands (ev): -9.0440 -9.0440 -9.0440 -9.0440 -9.0389 -9.0389 -9.0389 -9.0389 -7.6133 -7.6133 -7.6131 -7.6131 -7.6079 -7.6079 -7.6075 -7.6075 -3.6760 -3.6760 -3.6733 -3.6733 -3.6539 -3.6539 -3.6512 -3.6512 -0.0570 -0.0570 -0.0368 -0.0368 0.0229 0.0229 0.0439 0.0439 1.2367 1.2367 1.2391 1.2391 1.3420 1.3420 1.3604 1.3604 2.1363 2.1363 2.1683 2.1683 2.1997 2.1997 2.2397 2.2397 2.8434 2.8434 2.8838 2.8838 2.9865 2.9865 3.0150 3.0150 3.3607 3.3607 3.4141 3.4141 3.5183 3.5183 3.5339 3.5339 3.9934 3.9934 4.0478 4.0478 4.0922 4.0922 4.0926 4.0926 7.7145 7.7145 7.7816 7.7816 7.8554 7.8554 7.9125 7.9125 8.4391 8.4391 8.4748 8.4748 8.5804 8.5804 k = 0.5000 0.2413 0.1315 ( 12564 PWs) bands (ev): -9.0441 -9.0441 -9.0441 -9.0441 -9.0387 -9.0387 -9.0387 -9.0387 -7.6135 -7.6135 -7.6133 -7.6133 -7.6078 -7.6078 -7.6075 -7.6075 -3.6761 -3.6761 -3.6737 -3.6737 -3.6526 -3.6526 -3.6502 -3.6502 -0.0547 -0.0547 -0.0370 -0.0370 0.0310 0.0310 0.0495 0.0495 1.2218 1.2218 1.2236 1.2236 1.3329 1.3329 1.3486 1.3486 2.1374 2.1374 2.1666 2.1666 2.2006 2.2006 2.2344 2.2344 2.8657 2.8657 2.8918 2.8918 3.0009 3.0009 3.0316 3.0316 3.3530 3.3530 3.3944 3.3944 3.4964 3.4964 3.5150 3.5150 4.0155 4.0155 4.0662 4.0662 4.1079 4.1079 4.1119 4.1119 7.7022 7.7022 7.7591 7.7591 7.8497 7.8497 7.8973 7.8973 8.4523 8.4523 8.4901 8.4901 8.6082 8.6082 k = 0.5000 0.2413 0.1434 ( 12560 PWs) bands (ev): -9.0442 -9.0442 -9.0442 -9.0442 -9.0385 -9.0385 -9.0385 -9.0385 -7.6138 -7.6138 -7.6136 -7.6136 -7.6078 -7.6078 -7.6076 -7.6076 -3.6762 -3.6762 -3.6742 -3.6742 -3.6514 -3.6514 -3.6494 -3.6494 -0.0523 -0.0523 -0.0372 -0.0372 0.0386 0.0386 0.0545 0.0545 1.2085 1.2085 1.2098 1.2098 1.3247 1.3247 1.3378 1.3378 2.1380 2.1380 2.1634 2.1634 2.2004 2.2004 2.2278 2.2278 2.8915 2.8915 2.9043 2.9043 3.0181 3.0181 3.0521 3.0521 3.3434 3.3434 3.3707 3.3707 3.4695 3.4695 3.4909 3.4909 4.0381 4.0381 4.0832 4.0832 4.1242 4.1242 4.1310 4.1310 7.6909 7.6909 7.7377 7.7377 7.8437 7.8437 7.8822 7.8822 8.4670 8.4670 8.5044 8.5044 8.6356 8.6356 k = 0.5000 0.2413 0.1554 ( 12556 PWs) bands (ev): -9.0443 -9.0443 -9.0443 -9.0443 -9.0383 -9.0383 -9.0383 -9.0383 -7.6140 -7.6140 -7.6138 -7.6138 -7.6078 -7.6078 -7.6076 -7.6076 -3.6762 -3.6762 -3.6745 -3.6745 -3.6504 -3.6504 -3.6487 -3.6487 -0.0499 -0.0499 -0.0376 -0.0376 0.0455 0.0455 0.0584 0.0584 1.1972 1.1972 1.1981 1.1981 1.3178 1.3178 1.3283 1.3283 2.1384 2.1384 2.1594 2.1594 2.1996 2.1996 2.2207 2.2207 2.9188 2.9188 2.9202 2.9202 3.0370 3.0370 3.0749 3.0749 3.3336 3.3336 3.3451 3.3451 3.4395 3.4395 3.4636 3.4636 4.0597 4.0597 4.0973 4.0973 4.1407 4.1407 4.1482 4.1482 7.6813 7.6813 7.7184 7.7184 7.8380 7.8380 7.8680 7.8680 8.4824 8.4824 8.5166 8.5166 8.6612 8.6612 k = 0.5000 0.2413 0.1673 ( 12556 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0382 -9.0382 -9.0382 -9.0382 -7.6141 -7.6141 -7.6140 -7.6140 -7.6078 -7.6078 -7.6076 -7.6076 -3.6761 -3.6761 -3.6749 -3.6749 -3.6495 -3.6495 -3.6483 -3.6483 -0.0475 -0.0475 -0.0382 -0.0382 0.0515 0.0515 0.0613 0.0613 1.1881 1.1881 1.1887 1.1887 1.3124 1.3124 1.3203 1.3203 2.1389 2.1389 2.1550 2.1550 2.1987 2.1987 2.2140 2.2140 2.9378 2.9378 2.9445 2.9445 3.0567 3.0567 3.0970 3.0970 3.3208 3.3208 3.3256 3.3256 3.4086 3.4086 3.4350 3.4350 4.0788 4.0788 4.1077 4.1077 4.1557 4.1557 4.1624 4.1624 7.6741 7.6741 7.7016 7.7016 7.8334 7.8334 7.8555 7.8555 8.4973 8.4973 8.5257 8.5257 8.6836 8.6836 k = 0.5000 0.2413 0.1793 ( 12576 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0381 -9.0381 -9.0381 -9.0381 -7.6142 -7.6142 -7.6142 -7.6142 -7.6078 -7.6078 -7.6077 -7.6077 -3.6760 -3.6760 -3.6752 -3.6752 -3.6488 -3.6488 -3.6480 -3.6480 -0.0453 -0.0453 -0.0390 -0.0390 0.0563 0.0563 0.0630 0.0630 1.1815 1.1815 1.1818 1.1818 1.3088 1.3088 1.3141 1.3141 2.1398 2.1398 2.1507 2.1507 2.1982 2.1982 2.2082 2.2082 2.9550 2.9550 2.9650 2.9650 3.0766 3.0766 3.1140 3.1140 3.3023 3.3023 3.3205 3.3205 3.3803 3.3803 3.4073 3.4073 4.0945 4.0945 4.1141 4.1141 4.1678 4.1678 4.1728 4.1728 7.6697 7.6697 7.6879 7.6879 7.8306 7.8306 7.8451 7.8451 8.5106 8.5106 8.5310 8.5310 8.7011 8.7011 k = 0.5000 0.2413 0.1912 ( 12580 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0381 -9.0381 -9.0381 -9.0381 -7.6143 -7.6143 -7.6142 -7.6142 -7.6078 -7.6078 -7.6077 -7.6077 -3.6758 -3.6758 -3.6754 -3.6754 -3.6483 -3.6483 -3.6479 -3.6479 -0.0433 -0.0433 -0.0401 -0.0401 0.0600 0.0600 0.0633 0.0633 1.1775 1.1775 1.1776 1.1776 1.3071 1.3071 1.3097 1.3097 2.1414 2.1414 2.1469 2.1469 2.1987 2.1987 2.2036 2.2036 2.9693 2.9693 2.9765 2.9765 3.0960 3.0960 3.1199 3.1199 3.2959 3.2959 3.3146 3.3146 3.3629 3.3629 3.3829 3.3829 4.1062 4.1062 4.1160 4.1160 4.1761 4.1761 4.1787 4.1787 7.6687 7.6687 7.6778 7.6778 7.8301 7.8301 7.8373 7.8373 8.5214 8.5214 8.5320 8.5320 8.7122 8.7122 k = 0.5000 0.2413 0.2032 ( 12600 PWs) bands (ev): -9.0444 -9.0444 -9.0444 -9.0444 -9.0381 -9.0381 -9.0381 -9.0381 -7.6143 -7.6143 -7.6143 -7.6143 -7.6077 -7.6077 -7.6077 -7.6077 -3.6757 -3.6757 -3.6757 -3.6757 -3.6480 -3.6480 -3.6480 -3.6480 -0.0416 -0.0416 -0.0416 -0.0416 0.0623 0.0623 0.0623 0.0623 1.1762 1.1762 1.1762 1.1762 1.3074 1.3074 1.3074 1.3074 2.1438 2.1438 2.1438 2.1438 2.2005 2.2005 2.2005 2.2005 2.9775 2.9775 2.9775 2.9775 3.1124 3.1124 3.1124 3.1124 3.3029 3.3029 3.3029 3.3029 3.3656 3.3656 3.3656 3.3656 4.1134 4.1134 4.1134 4.1134 4.1798 4.1798 4.1798 4.1798 7.6714 7.6714 7.6714 7.6714 7.8322 7.8322 7.8322 7.8322 8.5287 8.5287 8.5287 8.5287 8.7160 8.7160 Writing output data file SbSBr.save init_run : 4.57s CPU 14.30s WALL ( 1 calls) electrons : 3127.92s CPU 3149.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.55s CPU 1.70s WALL ( 1 calls) Called by electrons: c_bands : 3127.86s CPU 3149.24s WALL ( 1 calls) v_of_rho : 0.30s CPU 0.88s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.28s CPU 0.60s WALL ( 1 calls) newd : 1.16s CPU 1.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.44s CPU 0.61s WALL ( 320 calls) cegterg : 2970.48s CPU 2988.46s WALL ( 957 calls) Called by sum_band: Called by *egterg: h_psi : 1207.93s CPU 1221.03s WALL ( 17832 calls) s_psi : 206.49s CPU 206.84s WALL ( 17832 calls) g_psi : 3.66s CPU 3.63s WALL ( 16555 calls) cdiaghg : 1044.95s CPU 1042.46s WALL ( 16875 calls) cegterg:over : 277.55s CPU 274.38s WALL ( 16555 calls) cegterg:upda : 116.50s CPU 120.49s WALL ( 16555 calls) cegterg:last : 79.33s CPU 80.01s WALL ( 2237 calls) Called by h_psi: h_psi:vloc : 791.58s CPU 800.78s WALL ( 17832 calls) h_psi:vnl : 413.03s CPU 415.87s WALL ( 17832 calls) add_vuspsi : 169.81s CPU 177.17s WALL ( 17832 calls) General routines calbec : 243.14s CPU 238.57s WALL ( 17832 calls) fft : 0.48s CPU 1.69s WALL ( 19 calls) ffts : 0.01s CPU 0.07s WALL ( 4 calls) fftw : 756.66s CPU 761.54s WALL ( 2297192 calls) interpolate : 0.08s CPU 0.17s WALL ( 4 calls) davcio : 0.05s CPU 4.00s WALL ( 640 calls) Parallel routines fft_scatter : 492.08s CPU 489.29s WALL ( 2297215 calls) PWSCF : 54m32.84s CPU 59m16.26s WALL This run was terminated on: 6:45: 3 29Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=