Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:46:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaNiGe2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 53 15 2131 1169 185 Max 81 54 16 2133 1182 190 Sum 2855 1919 563 76735 42291 6751 bravais-lattice index = 14 lattice parameter (alat) = 16.8946 a.u. unit-cell volume = 1002.6346 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.894562 celldm(2)= 1.000000 celldm(3)= 0.453166 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.888528 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.888528 0.458823 0.000000 ) a(3) = ( 0.000000 0.000000 0.453166 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.936539 -0.000000 ) b(2) = ( 0.000000 2.179492 -0.000000 ) b(3) = ( 0.000000 0.000000 2.206698 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066189 0.0272436 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0132378 0.0544873 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0198567 0.0817309 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0264756 0.1089746 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0330946 0.1362182 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0397135 0.1634619 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0463324 0.1907055 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0529513 0.2179492 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0595702 0.2451928 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0661891 0.2724364 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0728080 0.2996801 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0794269 0.3269237 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0860459 0.3541674 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0926648 0.3814110 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0992837 0.4086547 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1059026 0.4358983 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1125215 0.4631419 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1191404 0.4903856 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1257593 0.5176293 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1323782 0.5448729 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1389972 0.5721165 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1456161 0.5993602 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1522350 0.6266038 -0.0000000), wk = 0.0026455 k( 25) = ( 0.1588539 0.6538475 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1654728 0.6810911 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1720917 0.7083347 -0.0000000), wk = 0.0026455 k( 28) = ( 0.1787106 0.7355784 -0.0000000), wk = 0.0026455 k( 29) = ( 0.1853295 0.7628221 -0.0000000), wk = 0.0026455 k( 30) = ( 0.1919484 0.7900657 -0.0000000), wk = 0.0026455 k( 31) = ( 0.1985674 0.8173093 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2051863 0.8445530 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2118052 0.8717966 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2184241 0.8990403 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2250430 0.9262839 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2316619 0.9535276 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2382808 0.9807712 -0.0000000), wk = 0.0026455 k( 38) = ( 0.2448997 1.0080149 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2515187 1.0352585 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2581376 1.0625021 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2647565 1.0897458 -0.0000000), wk = 0.0026455 k( 42) = ( 0.2647565 1.0897458 -0.0000000), wk = 0.0026455 k( 43) = ( 0.2382808 1.0897458 -0.0000000), wk = 0.0026455 k( 44) = ( 0.2118052 1.0897458 -0.0000000), wk = 0.0026455 k( 45) = ( 0.1853295 1.0897458 -0.0000000), wk = 0.0026455 k( 46) = ( 0.1588539 1.0897458 -0.0000000), wk = 0.0026455 k( 47) = ( 0.1323782 1.0897458 -0.0000000), wk = 0.0026455 k( 48) = ( 0.1059026 1.0897458 -0.0000000), wk = 0.0026455 k( 49) = ( 0.0794269 1.0897458 -0.0000000), wk = 0.0026455 k( 50) = ( 0.0529513 1.0897458 -0.0000000), wk = 0.0026455 k( 51) = ( 0.0264756 1.0897458 -0.0000000), wk = 0.0026455 k( 52) = ( 0.0000000 1.0897458 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0000000 1.0897458 -0.0000000), wk = 0.0026455 k( 54) = ( 0.0000000 1.0897458 0.0282910), wk = 0.0026455 k( 55) = ( 0.0000000 1.0897458 0.0565820), wk = 0.0026455 k( 56) = ( 0.0000000 1.0897458 0.0848730), wk = 0.0026455 k( 57) = ( 0.0000000 1.0897458 0.1131640), wk = 0.0026455 k( 58) = ( 0.0000000 1.0897458 0.1414550), wk = 0.0026455 k( 59) = ( 0.0000000 1.0897458 0.1697460), wk = 0.0026455 k( 60) = ( 0.0000000 1.0897458 0.1980370), wk = 0.0026455 k( 61) = ( 0.0000000 1.0897458 0.2263280), wk = 0.0026455 k( 62) = ( 0.0000000 1.0897458 0.2546191), wk = 0.0026455 k( 63) = ( 0.0000000 1.0897458 0.2829101), wk = 0.0026455 k( 64) = ( 0.0000000 1.0897458 0.3112011), wk = 0.0026455 k( 65) = ( 0.0000000 1.0897458 0.3394921), wk = 0.0026455 k( 66) = ( 0.0000000 1.0897458 0.3677831), wk = 0.0026455 k( 67) = ( 0.0000000 1.0897458 0.3960741), wk = 0.0026455 k( 68) = ( 0.0000000 1.0897458 0.4243651), wk = 0.0026455 k( 69) = ( 0.0000000 1.0897458 0.4526561), wk = 0.0026455 k( 70) = ( 0.0000000 1.0897458 0.4809471), wk = 0.0026455 k( 71) = ( 0.0000000 1.0897458 0.5092381), wk = 0.0026455 k( 72) = ( 0.0000000 1.0897458 0.5375291), wk = 0.0026455 k( 73) = ( 0.0000000 1.0897458 0.5658201), wk = 0.0026455 k( 74) = ( 0.0000000 1.0897458 0.5941111), wk = 0.0026455 k( 75) = ( 0.0000000 1.0897458 0.6224021), wk = 0.0026455 k( 76) = ( 0.0000000 1.0897458 0.6506931), wk = 0.0026455 k( 77) = ( 0.0000000 1.0897458 0.6789841), wk = 0.0026455 k( 78) = ( 0.0000000 1.0897458 0.7072751), wk = 0.0026455 k( 79) = ( 0.0000000 1.0897458 0.7355661), wk = 0.0026455 k( 80) = ( 0.0000000 1.0897458 0.7638572), wk = 0.0026455 k( 81) = ( 0.0000000 1.0897458 0.7921482), wk = 0.0026455 k( 82) = ( 0.0000000 1.0897458 0.8204392), wk = 0.0026455 k( 83) = ( 0.0000000 1.0897458 0.8487302), wk = 0.0026455 k( 84) = ( 0.0000000 1.0897458 0.8770212), wk = 0.0026455 k( 85) = ( 0.0000000 1.0897458 0.9053122), wk = 0.0026455 k( 86) = ( 0.0000000 1.0897458 0.9336032), wk = 0.0026455 k( 87) = ( 0.0000000 1.0897458 0.9618942), wk = 0.0026455 k( 88) = ( 0.0000000 1.0897458 0.9901852), wk = 0.0026455 k( 89) = ( 0.0000000 1.0897458 1.0184762), wk = 0.0026455 k( 90) = ( 0.0000000 1.0897458 1.0467672), wk = 0.0026455 k( 91) = ( 0.0000000 1.0897458 1.0750582), wk = 0.0026455 k( 92) = ( 0.0000000 1.0897458 1.1033492), wk = 0.0026455 k( 93) = ( 0.0000000 1.0897458 1.1033492), wk = 0.0026455 k( 94) = ( 0.0264756 1.0897458 1.1033492), wk = 0.0026455 k( 95) = ( 0.0529513 1.0897458 1.1033492), wk = 0.0026455 k( 96) = ( 0.0794269 1.0897458 1.1033492), wk = 0.0026455 k( 97) = ( 0.1059026 1.0897458 1.1033492), wk = 0.0026455 k( 98) = ( 0.1323782 1.0897458 1.1033492), wk = 0.0026455 k( 99) = ( 0.1588539 1.0897458 1.1033492), wk = 0.0026455 k( 100) = ( 0.1853295 1.0897458 1.1033492), wk = 0.0026455 k( 101) = ( 0.2118052 1.0897458 1.1033492), wk = 0.0026455 k( 102) = ( 0.2382808 1.0897458 1.1033492), wk = 0.0026455 k( 103) = ( 0.2647565 1.0897458 1.1033492), wk = 0.0026455 k( 104) = ( 0.2647565 1.0897458 1.1033492), wk = 0.0026455 k( 105) = ( 0.2581376 1.0625021 1.1033492), wk = 0.0026455 k( 106) = ( 0.2515187 1.0352585 1.1033492), wk = 0.0026455 k( 107) = ( 0.2448997 1.0080149 1.1033492), wk = 0.0026455 k( 108) = ( 0.2382808 0.9807712 1.1033492), wk = 0.0026455 k( 109) = ( 0.2316619 0.9535276 1.1033492), wk = 0.0026455 k( 110) = ( 0.2250430 0.9262839 1.1033492), wk = 0.0026455 k( 111) = ( 0.2184241 0.8990403 1.1033492), wk = 0.0026455 k( 112) = ( 0.2118052 0.8717966 1.1033492), wk = 0.0026455 k( 113) = ( 0.2051863 0.8445530 1.1033492), wk = 0.0026455 k( 114) = ( 0.1985674 0.8173093 1.1033492), wk = 0.0026455 k( 115) = ( 0.1919484 0.7900657 1.1033492), wk = 0.0026455 k( 116) = ( 0.1853295 0.7628221 1.1033492), wk = 0.0026455 k( 117) = ( 0.1787106 0.7355784 1.1033492), wk = 0.0026455 k( 118) = ( 0.1720917 0.7083347 1.1033492), wk = 0.0026455 k( 119) = ( 0.1654728 0.6810911 1.1033492), wk = 0.0026455 k( 120) = ( 0.1588539 0.6538475 1.1033492), wk = 0.0026455 k( 121) = ( 0.1522350 0.6266038 1.1033492), wk = 0.0026455 k( 122) = ( 0.1456161 0.5993602 1.1033492), wk = 0.0026455 k( 123) = ( 0.1389972 0.5721165 1.1033492), wk = 0.0026455 k( 124) = ( 0.1323782 0.5448729 1.1033492), wk = 0.0026455 k( 125) = ( 0.1257593 0.5176293 1.1033492), wk = 0.0026455 k( 126) = ( 0.1191404 0.4903856 1.1033492), wk = 0.0026455 k( 127) = ( 0.1125215 0.4631419 1.1033492), wk = 0.0026455 k( 128) = ( 0.1059026 0.4358983 1.1033492), wk = 0.0026455 k( 129) = ( 0.0992837 0.4086547 1.1033492), wk = 0.0026455 k( 130) = ( 0.0926648 0.3814110 1.1033492), wk = 0.0026455 k( 131) = ( 0.0860459 0.3541674 1.1033492), wk = 0.0026455 k( 132) = ( 0.0794269 0.3269237 1.1033492), wk = 0.0026455 k( 133) = ( 0.0728080 0.2996801 1.1033492), wk = 0.0026455 k( 134) = ( 0.0661891 0.2724364 1.1033492), wk = 0.0026455 k( 135) = ( 0.0595702 0.2451928 1.1033492), wk = 0.0026455 k( 136) = ( 0.0529513 0.2179492 1.1033492), wk = 0.0026455 k( 137) = ( 0.0463324 0.1907055 1.1033492), wk = 0.0026455 k( 138) = ( 0.0397135 0.1634619 1.1033492), wk = 0.0026455 k( 139) = ( 0.0330946 0.1362182 1.1033492), wk = 0.0026455 k( 140) = ( 0.0264756 0.1089746 1.1033492), wk = 0.0026455 k( 141) = ( 0.0198567 0.0817309 1.1033492), wk = 0.0026455 k( 142) = ( 0.0132378 0.0544873 1.1033492), wk = 0.0026455 k( 143) = ( 0.0066189 0.0272436 1.1033492), wk = 0.0026455 k( 144) = ( 0.0000000 0.0000000 1.1033492), wk = 0.0026455 k( 145) = ( 0.0000000 0.0000000 1.1033492), wk = 0.0026455 k( 146) = ( 0.0000000 0.0000000 1.0750582), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 1.0467672), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 1.0184762), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.9901852), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.9618942), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.9336032), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.9053122), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.8770212), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.8487302), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.8204392), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.7921482), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.7638572), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.7355661), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.7072751), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.6789841), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.6506931), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.6224021), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.5941111), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.5658201), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.5375291), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.5092381), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.4809471), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.4526561), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.4243651), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3960741), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.3677831), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.3394921), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.3112011), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2829101), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2546191), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2263280), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1980370), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1697460), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1414550), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1131640), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.0848730), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0565820), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0282910), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 186) = ( -0.0263158 0.0063935 0.0000000), wk = 0.0026455 k( 187) = ( -0.0526316 0.0127870 0.0000000), wk = 0.0026455 k( 188) = ( -0.0789474 0.0191805 0.0000000), wk = 0.0026455 k( 189) = ( -0.1052632 0.0255739 0.0000000), wk = 0.0026455 k( 190) = ( -0.1315790 0.0319674 0.0000000), wk = 0.0026455 k( 191) = ( -0.1578947 0.0383609 0.0000000), wk = 0.0026455 k( 192) = ( -0.1842105 0.0447544 0.0000000), wk = 0.0026455 k( 193) = ( -0.2105263 0.0511479 0.0000000), wk = 0.0026455 k( 194) = ( -0.2368421 0.0575414 0.0000000), wk = 0.0026455 k( 195) = ( -0.2631579 0.0639349 0.0000000), wk = 0.0026455 k( 196) = ( -0.2894737 0.0703284 0.0000000), wk = 0.0026455 k( 197) = ( -0.3157895 0.0767218 0.0000000), wk = 0.0026455 k( 198) = ( -0.3421053 0.0831153 0.0000000), wk = 0.0026455 k( 199) = ( -0.3684211 0.0895088 0.0000000), wk = 0.0026455 k( 200) = ( -0.3947368 0.0959023 0.0000000), wk = 0.0026455 k( 201) = ( -0.4210526 0.1022958 0.0000000), wk = 0.0026455 k( 202) = ( -0.4473684 0.1086893 0.0000000), wk = 0.0026455 k( 203) = ( -0.4736842 0.1150828 0.0000000), wk = 0.0026455 k( 204) = ( -0.5000000 0.1214763 0.0000000), wk = 0.0026455 k( 205) = ( -0.5000000 0.1214763 0.0000000), wk = 0.0026455 k( 206) = ( -0.4934655 0.1483726 -0.0000000), wk = 0.0026455 k( 207) = ( -0.4869309 0.1752690 -0.0000000), wk = 0.0026455 k( 208) = ( -0.4803964 0.2021654 -0.0000000), wk = 0.0026455 k( 209) = ( -0.4738618 0.2290618 -0.0000000), wk = 0.0026455 k( 210) = ( -0.4673273 0.2559581 -0.0000000), wk = 0.0026455 k( 211) = ( -0.4607927 0.2828545 -0.0000000), wk = 0.0026455 k( 212) = ( -0.4542582 0.3097509 -0.0000000), wk = 0.0026455 k( 213) = ( -0.4477237 0.3366473 -0.0000000), wk = 0.0026455 k( 214) = ( -0.4411891 0.3635436 -0.0000000), wk = 0.0026455 k( 215) = ( -0.4346546 0.3904400 -0.0000000), wk = 0.0026455 k( 216) = ( -0.4281200 0.4173364 -0.0000000), wk = 0.0026455 k( 217) = ( -0.4215855 0.4442328 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4150509 0.4711291 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4085164 0.4980255 -0.0000000), wk = 0.0026455 k( 220) = ( -0.4019819 0.5249219 -0.0000000), wk = 0.0026455 k( 221) = ( -0.3954473 0.5518182 -0.0000000), wk = 0.0026455 k( 222) = ( -0.3889128 0.5787147 -0.0000000), wk = 0.0026455 k( 223) = ( -0.3823782 0.6056110 -0.0000000), wk = 0.0026455 k( 224) = ( -0.3758437 0.6325074 -0.0000000), wk = 0.0026455 k( 225) = ( -0.3693092 0.6594038 -0.0000000), wk = 0.0026455 k( 226) = ( -0.3627746 0.6863002 -0.0000000), wk = 0.0026455 k( 227) = ( -0.3562401 0.7131965 -0.0000000), wk = 0.0026455 k( 228) = ( -0.3497055 0.7400929 -0.0000000), wk = 0.0026455 k( 229) = ( -0.3431710 0.7669893 -0.0000000), wk = 0.0026455 k( 230) = ( -0.3366364 0.7938856 -0.0000000), wk = 0.0026455 k( 231) = ( -0.3301019 0.8207820 -0.0000000), wk = 0.0026455 k( 232) = ( -0.3235674 0.8476784 -0.0000000), wk = 0.0026455 k( 233) = ( -0.3170328 0.8745748 -0.0000000), wk = 0.0026455 k( 234) = ( -0.3104983 0.9014711 -0.0000000), wk = 0.0026455 k( 235) = ( -0.3039637 0.9283675 -0.0000000), wk = 0.0026455 k( 236) = ( -0.2974292 0.9552639 -0.0000000), wk = 0.0026455 k( 237) = ( -0.2908946 0.9821603 -0.0000000), wk = 0.0026455 k( 238) = ( -0.2843601 1.0090566 -0.0000000), wk = 0.0026455 k( 239) = ( -0.2778256 1.0359530 -0.0000000), wk = 0.0026455 k( 240) = ( -0.2712910 1.0628494 -0.0000000), wk = 0.0026455 k( 241) = ( -0.2647565 1.0897458 -0.0000000), wk = 0.0026455 k( 242) = ( -0.2647565 1.0897458 -0.0000000), wk = 0.0026455 k( 243) = ( -0.2647565 1.0897458 0.0282910), wk = 0.0026455 k( 244) = ( -0.2647565 1.0897458 0.0565820), wk = 0.0026455 k( 245) = ( -0.2647565 1.0897458 0.0848730), wk = 0.0026455 k( 246) = ( -0.2647565 1.0897458 0.1131640), wk = 0.0026455 k( 247) = ( -0.2647565 1.0897458 0.1414550), wk = 0.0026455 k( 248) = ( -0.2647565 1.0897458 0.1697460), wk = 0.0026455 k( 249) = ( -0.2647565 1.0897458 0.1980370), wk = 0.0026455 k( 250) = ( -0.2647565 1.0897458 0.2263280), wk = 0.0026455 k( 251) = ( -0.2647565 1.0897458 0.2546191), wk = 0.0026455 k( 252) = ( -0.2647565 1.0897458 0.2829101), wk = 0.0026455 k( 253) = ( -0.2647565 1.0897458 0.3112011), wk = 0.0026455 k( 254) = ( -0.2647565 1.0897458 0.3394921), wk = 0.0026455 k( 255) = ( -0.2647565 1.0897458 0.3677831), wk = 0.0026455 k( 256) = ( -0.2647565 1.0897458 0.3960741), wk = 0.0026455 k( 257) = ( -0.2647565 1.0897458 0.4243651), wk = 0.0026455 k( 258) = ( -0.2647565 1.0897458 0.4526561), wk = 0.0026455 k( 259) = ( -0.2647565 1.0897458 0.4809471), wk = 0.0026455 k( 260) = ( -0.2647565 1.0897458 0.5092381), wk = 0.0026455 k( 261) = ( -0.2647565 1.0897458 0.5375291), wk = 0.0026455 k( 262) = ( -0.2647565 1.0897458 0.5658201), wk = 0.0026455 k( 263) = ( -0.2647565 1.0897458 0.5941111), wk = 0.0026455 k( 264) = ( -0.2647565 1.0897458 0.6224021), wk = 0.0026455 k( 265) = ( -0.2647565 1.0897458 0.6506931), wk = 0.0026455 k( 266) = ( -0.2647565 1.0897458 0.6789841), wk = 0.0026455 k( 267) = ( -0.2647565 1.0897458 0.7072751), wk = 0.0026455 k( 268) = ( -0.2647565 1.0897458 0.7355661), wk = 0.0026455 k( 269) = ( -0.2647565 1.0897458 0.7638572), wk = 0.0026455 k( 270) = ( -0.2647565 1.0897458 0.7921482), wk = 0.0026455 k( 271) = ( -0.2647565 1.0897458 0.8204392), wk = 0.0026455 k( 272) = ( -0.2647565 1.0897458 0.8487302), wk = 0.0026455 k( 273) = ( -0.2647565 1.0897458 0.8770212), wk = 0.0026455 k( 274) = ( -0.2647565 1.0897458 0.9053122), wk = 0.0026455 k( 275) = ( -0.2647565 1.0897458 0.9336032), wk = 0.0026455 k( 276) = ( -0.2647565 1.0897458 0.9618942), wk = 0.0026455 k( 277) = ( -0.2647565 1.0897458 0.9901852), wk = 0.0026455 k( 278) = ( -0.2647565 1.0897458 1.0184762), wk = 0.0026455 k( 279) = ( -0.2647565 1.0897458 1.0467672), wk = 0.0026455 k( 280) = ( -0.2647565 1.0897458 1.0750582), wk = 0.0026455 k( 281) = ( -0.2647565 1.0897458 1.1033492), wk = 0.0026455 k( 282) = ( -0.2647565 1.0897458 1.1033492), wk = 0.0026455 k( 283) = ( -0.2712910 1.0628494 1.1033492), wk = 0.0026455 k( 284) = ( -0.2778256 1.0359530 1.1033492), wk = 0.0026455 k( 285) = ( -0.2843601 1.0090566 1.1033492), wk = 0.0026455 k( 286) = ( -0.2908946 0.9821603 1.1033492), wk = 0.0026455 k( 287) = ( -0.2974292 0.9552639 1.1033492), wk = 0.0026455 k( 288) = ( -0.3039637 0.9283675 1.1033492), wk = 0.0026455 k( 289) = ( -0.3104983 0.9014711 1.1033492), wk = 0.0026455 k( 290) = ( -0.3170328 0.8745748 1.1033492), wk = 0.0026455 k( 291) = ( -0.3235674 0.8476784 1.1033492), wk = 0.0026455 k( 292) = ( -0.3301019 0.8207820 1.1033492), wk = 0.0026455 k( 293) = ( -0.3366364 0.7938856 1.1033492), wk = 0.0026455 k( 294) = ( -0.3431710 0.7669893 1.1033492), wk = 0.0026455 k( 295) = ( -0.3497055 0.7400929 1.1033492), wk = 0.0026455 k( 296) = ( -0.3562401 0.7131965 1.1033492), wk = 0.0026455 k( 297) = ( -0.3627746 0.6863002 1.1033492), wk = 0.0026455 k( 298) = ( -0.3693092 0.6594038 1.1033492), wk = 0.0026455 k( 299) = ( -0.3758437 0.6325074 1.1033492), wk = 0.0026455 k( 300) = ( -0.3823782 0.6056110 1.1033492), wk = 0.0026455 k( 301) = ( -0.3889128 0.5787147 1.1033492), wk = 0.0026455 k( 302) = ( -0.3954473 0.5518182 1.1033492), wk = 0.0026455 k( 303) = ( -0.4019819 0.5249219 1.1033492), wk = 0.0026455 k( 304) = ( -0.4085164 0.4980255 1.1033492), wk = 0.0026455 k( 305) = ( -0.4150509 0.4711291 1.1033492), wk = 0.0026455 k( 306) = ( -0.4215855 0.4442328 1.1033492), wk = 0.0026455 k( 307) = ( -0.4281200 0.4173364 1.1033492), wk = 0.0026455 k( 308) = ( -0.4346546 0.3904400 1.1033492), wk = 0.0026455 k( 309) = ( -0.4411891 0.3635436 1.1033492), wk = 0.0026455 k( 310) = ( -0.4477237 0.3366473 1.1033492), wk = 0.0026455 k( 311) = ( -0.4542582 0.3097509 1.1033492), wk = 0.0026455 k( 312) = ( -0.4607927 0.2828545 1.1033492), wk = 0.0026455 k( 313) = ( -0.4673273 0.2559581 1.1033492), wk = 0.0026455 k( 314) = ( -0.4738618 0.2290618 1.1033492), wk = 0.0026455 k( 315) = ( -0.4803964 0.2021654 1.1033492), wk = 0.0026455 k( 316) = ( -0.4869309 0.1752690 1.1033492), wk = 0.0026455 k( 317) = ( -0.4934655 0.1483726 1.1033492), wk = 0.0026455 k( 318) = ( -0.5000000 0.1214763 1.1033492), wk = 0.0026455 k( 319) = ( -0.5000000 0.1214763 1.1033492), wk = 0.0026455 k( 320) = ( -0.5000000 0.1214763 1.0750582), wk = 0.0026455 k( 321) = ( -0.5000000 0.1214763 1.0467672), wk = 0.0026455 k( 322) = ( -0.5000000 0.1214763 1.0184762), wk = 0.0026455 k( 323) = ( -0.5000000 0.1214763 0.9901852), wk = 0.0026455 k( 324) = ( -0.5000000 0.1214763 0.9618942), wk = 0.0026455 k( 325) = ( -0.5000000 0.1214763 0.9336032), wk = 0.0026455 k( 326) = ( -0.5000000 0.1214763 0.9053122), wk = 0.0026455 k( 327) = ( -0.5000000 0.1214763 0.8770212), wk = 0.0026455 k( 328) = ( -0.5000000 0.1214763 0.8487302), wk = 0.0026455 k( 329) = ( -0.5000000 0.1214763 0.8204392), wk = 0.0026455 k( 330) = ( -0.5000000 0.1214763 0.7921482), wk = 0.0026455 k( 331) = ( -0.5000000 0.1214763 0.7638572), wk = 0.0026455 k( 332) = ( -0.5000000 0.1214763 0.7355661), wk = 0.0026455 k( 333) = ( -0.5000000 0.1214763 0.7072751), wk = 0.0026455 k( 334) = ( -0.5000000 0.1214763 0.6789841), wk = 0.0026455 k( 335) = ( -0.5000000 0.1214763 0.6506931), wk = 0.0026455 k( 336) = ( -0.5000000 0.1214763 0.6224021), wk = 0.0026455 k( 337) = ( -0.5000000 0.1214763 0.5941111), wk = 0.0026455 k( 338) = ( -0.5000000 0.1214763 0.5658201), wk = 0.0026455 k( 339) = ( -0.5000000 0.1214763 0.5375291), wk = 0.0026455 k( 340) = ( -0.5000000 0.1214763 0.5092381), wk = 0.0026455 k( 341) = ( -0.5000000 0.1214763 0.4809471), wk = 0.0026455 k( 342) = ( -0.5000000 0.1214763 0.4526561), wk = 0.0026455 k( 343) = ( -0.5000000 0.1214763 0.4243651), wk = 0.0026455 k( 344) = ( -0.5000000 0.1214763 0.3960741), wk = 0.0026455 k( 345) = ( -0.5000000 0.1214763 0.3677831), wk = 0.0026455 k( 346) = ( -0.5000000 0.1214763 0.3394921), wk = 0.0026455 k( 347) = ( -0.5000000 0.1214763 0.3112011), wk = 0.0026455 k( 348) = ( -0.5000000 0.1214763 0.2829101), wk = 0.0026455 k( 349) = ( -0.5000000 0.1214763 0.2546191), wk = 0.0026455 k( 350) = ( -0.5000000 0.1214763 0.2263280), wk = 0.0026455 k( 351) = ( -0.5000000 0.1214763 0.1980370), wk = 0.0026455 k( 352) = ( -0.5000000 0.1214763 0.1697460), wk = 0.0026455 k( 353) = ( -0.5000000 0.1214763 0.1414550), wk = 0.0026455 k( 354) = ( -0.5000000 0.1214763 0.1131640), wk = 0.0026455 k( 355) = ( -0.5000000 0.1214763 0.0848730), wk = 0.0026455 k( 356) = ( -0.5000000 0.1214763 0.0565820), wk = 0.0026455 k( 357) = ( -0.5000000 0.1214763 0.0282910), wk = 0.0026455 k( 358) = ( -0.5000000 0.1214763 0.0000000), wk = 0.0026455 k( 359) = ( 0.0000000 0.0000000 1.1033492), wk = 0.0026455 k( 360) = ( -0.0263158 0.0063935 1.1033492), wk = 0.0026455 k( 361) = ( -0.0526316 0.0127870 1.1033492), wk = 0.0026455 k( 362) = ( -0.0789474 0.0191805 1.1033492), wk = 0.0026455 k( 363) = ( -0.1052632 0.0255739 1.1033492), wk = 0.0026455 k( 364) = ( -0.1315790 0.0319674 1.1033492), wk = 0.0026455 k( 365) = ( -0.1578947 0.0383609 1.1033492), wk = 0.0026455 k( 366) = ( -0.1842105 0.0447544 1.1033492), wk = 0.0026455 k( 367) = ( -0.2105263 0.0511479 1.1033492), wk = 0.0026455 k( 368) = ( -0.2368421 0.0575414 1.1033492), wk = 0.0026455 k( 369) = ( -0.2631579 0.0639349 1.1033492), wk = 0.0026455 k( 370) = ( -0.2894737 0.0703284 1.1033492), wk = 0.0026455 k( 371) = ( -0.3157895 0.0767218 1.1033492), wk = 0.0026455 k( 372) = ( -0.3421053 0.0831153 1.1033492), wk = 0.0026455 k( 373) = ( -0.3684211 0.0895088 1.1033492), wk = 0.0026455 k( 374) = ( -0.3947368 0.0959023 1.1033492), wk = 0.0026455 k( 375) = ( -0.4210526 0.1022958 1.1033492), wk = 0.0026455 k( 376) = ( -0.4473684 0.1086893 1.1033492), wk = 0.0026455 k( 377) = ( -0.4736842 0.1150828 1.1033492), wk = 0.0026455 k( 378) = ( -0.5000000 0.1214763 1.1033492), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066189 0.0066189 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0132378 0.0132378 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0198567 0.0198567 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0264756 0.0264756 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0330946 0.0330946 0.0000000), wk = 0.0026455 k( 7) = ( 0.0397135 0.0397135 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0463324 0.0463324 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0529513 0.0529513 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0595702 0.0595702 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0661891 0.0661891 0.0000000), wk = 0.0026455 k( 12) = ( 0.0728080 0.0728080 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0794269 0.0794269 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0860459 0.0860459 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0926648 0.0926648 0.0000000), wk = 0.0026455 k( 16) = ( 0.0992837 0.0992837 0.0000000), wk = 0.0026455 k( 17) = ( 0.1059026 0.1059026 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1125215 0.1125215 0.0000000), wk = 0.0026455 k( 19) = ( 0.1191404 0.1191404 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1257593 0.1257593 0.0000000), wk = 0.0026455 k( 21) = ( 0.1323782 0.1323782 0.0000000), wk = 0.0026455 k( 22) = ( 0.1389972 0.1389972 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1456161 0.1456161 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1522350 0.1522350 -0.0000000), wk = 0.0026455 k( 25) = ( 0.1588539 0.1588539 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1654728 0.1654728 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1720917 0.1720917 0.0000000), wk = 0.0026455 k( 28) = ( 0.1787106 0.1787106 0.0000000), wk = 0.0026455 k( 29) = ( 0.1853295 0.1853295 0.0000000), wk = 0.0026455 k( 30) = ( 0.1919484 0.1919484 -0.0000000), wk = 0.0026455 k( 31) = ( 0.1985674 0.1985674 0.0000000), wk = 0.0026455 k( 32) = ( 0.2051863 0.2051863 0.0000000), wk = 0.0026455 k( 33) = ( 0.2118052 0.2118052 0.0000000), wk = 0.0026455 k( 34) = ( 0.2184241 0.2184241 0.0000000), wk = 0.0026455 k( 35) = ( 0.2250430 0.2250430 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2316619 0.2316619 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2382808 0.2382808 0.0000000), wk = 0.0026455 k( 38) = ( 0.2448997 0.2448997 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2515187 0.2515187 0.0000000), wk = 0.0026455 k( 40) = ( 0.2581376 0.2581376 0.0000000), wk = 0.0026455 k( 41) = ( 0.2647565 0.2647565 0.0000000), wk = 0.0026455 k( 42) = ( 0.2647565 0.2647565 0.0000000), wk = 0.0026455 k( 43) = ( 0.2382808 0.2882808 0.0000000), wk = 0.0026455 k( 44) = ( 0.2118052 0.3118052 -0.0000000), wk = 0.0026455 k( 45) = ( 0.1853295 0.3353295 0.0000000), wk = 0.0026455 k( 46) = ( 0.1588539 0.3588539 0.0000000), wk = 0.0026455 k( 47) = ( 0.1323782 0.3823782 0.0000000), wk = 0.0026455 k( 48) = ( 0.1059026 0.4059026 0.0000000), wk = 0.0026455 k( 49) = ( 0.0794269 0.4294269 0.0000000), wk = 0.0026455 k( 50) = ( 0.0529513 0.4529513 0.0000000), wk = 0.0026455 k( 51) = ( 0.0264756 0.4764757 0.0000000), wk = 0.0026455 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 54) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0026455 k( 55) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0026455 k( 56) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026455 k( 57) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0026455 k( 58) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0026455 k( 59) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026455 k( 60) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0026455 k( 61) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0026455 k( 62) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026455 k( 63) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0026455 k( 64) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0026455 k( 65) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026455 k( 66) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026455 k( 67) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0026455 k( 68) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026455 k( 69) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0026455 k( 70) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0026455 k( 71) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026455 k( 72) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0026455 k( 73) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0026455 k( 74) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026455 k( 75) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0026455 k( 76) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0026455 k( 77) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026455 k( 78) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0026455 k( 79) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026455 k( 80) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026455 k( 81) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0026455 k( 82) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0026455 k( 83) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026455 k( 84) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0026455 k( 85) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0026455 k( 86) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026455 k( 87) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0026455 k( 88) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0026455 k( 89) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026455 k( 90) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0026455 k( 91) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0026455 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 94) = ( 0.0264756 0.4764757 0.5000000), wk = 0.0026455 k( 95) = ( 0.0529513 0.4529513 0.5000000), wk = 0.0026455 k( 96) = ( 0.0794269 0.4294269 0.5000000), wk = 0.0026455 k( 97) = ( 0.1059026 0.4059026 0.5000000), wk = 0.0026455 k( 98) = ( 0.1323782 0.3823782 0.5000000), wk = 0.0026455 k( 99) = ( 0.1588539 0.3588539 0.5000000), wk = 0.0026455 k( 100) = ( 0.1853295 0.3353295 0.5000000), wk = 0.0026455 k( 101) = ( 0.2118052 0.3118052 0.5000000), wk = 0.0026455 k( 102) = ( 0.2382808 0.2882808 0.5000000), wk = 0.0026455 k( 103) = ( 0.2647565 0.2647565 0.5000000), wk = 0.0026455 k( 104) = ( 0.2647565 0.2647565 0.5000000), wk = 0.0026455 k( 105) = ( 0.2581376 0.2581376 0.5000000), wk = 0.0026455 k( 106) = ( 0.2515187 0.2515187 0.5000000), wk = 0.0026455 k( 107) = ( 0.2448997 0.2448997 0.5000000), wk = 0.0026455 k( 108) = ( 0.2382808 0.2382808 0.5000000), wk = 0.0026455 k( 109) = ( 0.2316619 0.2316619 0.5000000), wk = 0.0026455 k( 110) = ( 0.2250430 0.2250430 0.5000000), wk = 0.0026455 k( 111) = ( 0.2184241 0.2184241 0.5000000), wk = 0.0026455 k( 112) = ( 0.2118052 0.2118052 0.5000000), wk = 0.0026455 k( 113) = ( 0.2051863 0.2051863 0.5000000), wk = 0.0026455 k( 114) = ( 0.1985674 0.1985674 0.5000000), wk = 0.0026455 k( 115) = ( 0.1919484 0.1919484 0.5000000), wk = 0.0026455 k( 116) = ( 0.1853295 0.1853295 0.5000000), wk = 0.0026455 k( 117) = ( 0.1787106 0.1787106 0.5000000), wk = 0.0026455 k( 118) = ( 0.1720917 0.1720917 0.5000000), wk = 0.0026455 k( 119) = ( 0.1654728 0.1654728 0.5000000), wk = 0.0026455 k( 120) = ( 0.1588539 0.1588539 0.5000000), wk = 0.0026455 k( 121) = ( 0.1522350 0.1522350 0.5000000), wk = 0.0026455 k( 122) = ( 0.1456161 0.1456161 0.5000000), wk = 0.0026455 k( 123) = ( 0.1389972 0.1389972 0.5000000), wk = 0.0026455 k( 124) = ( 0.1323782 0.1323782 0.5000000), wk = 0.0026455 k( 125) = ( 0.1257593 0.1257593 0.5000000), wk = 0.0026455 k( 126) = ( 0.1191404 0.1191404 0.5000000), wk = 0.0026455 k( 127) = ( 0.1125215 0.1125215 0.5000000), wk = 0.0026455 k( 128) = ( 0.1059026 0.1059026 0.5000000), wk = 0.0026455 k( 129) = ( 0.0992837 0.0992837 0.5000000), wk = 0.0026455 k( 130) = ( 0.0926648 0.0926648 0.5000000), wk = 0.0026455 k( 131) = ( 0.0860459 0.0860459 0.5000000), wk = 0.0026455 k( 132) = ( 0.0794269 0.0794269 0.5000000), wk = 0.0026455 k( 133) = ( 0.0728080 0.0728080 0.5000000), wk = 0.0026455 k( 134) = ( 0.0661891 0.0661891 0.5000000), wk = 0.0026455 k( 135) = ( 0.0595702 0.0595702 0.5000000), wk = 0.0026455 k( 136) = ( 0.0529513 0.0529513 0.5000000), wk = 0.0026455 k( 137) = ( 0.0463324 0.0463324 0.5000000), wk = 0.0026455 k( 138) = ( 0.0397135 0.0397135 0.5000000), wk = 0.0026455 k( 139) = ( 0.0330946 0.0330946 0.5000000), wk = 0.0026455 k( 140) = ( 0.0264756 0.0264756 0.5000000), wk = 0.0026455 k( 141) = ( 0.0198567 0.0198567 0.5000000), wk = 0.0026455 k( 142) = ( 0.0132378 0.0132378 0.5000000), wk = 0.0026455 k( 143) = ( 0.0066189 0.0066189 0.5000000), wk = 0.0026455 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 146) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 186) = ( -0.0263158 0.0263158 0.0000000), wk = 0.0026455 k( 187) = ( -0.0526316 0.0526316 0.0000000), wk = 0.0026455 k( 188) = ( -0.0789474 0.0789474 0.0000000), wk = 0.0026455 k( 189) = ( -0.1052632 0.1052632 0.0000000), wk = 0.0026455 k( 190) = ( -0.1315790 0.1315790 0.0000000), wk = 0.0026455 k( 191) = ( -0.1578947 0.1578947 0.0000000), wk = 0.0026455 k( 192) = ( -0.1842105 0.1842105 0.0000000), wk = 0.0026455 k( 193) = ( -0.2105263 0.2105263 0.0000000), wk = 0.0026455 k( 194) = ( -0.2368421 0.2368421 0.0000000), wk = 0.0026455 k( 195) = ( -0.2631579 0.2631579 0.0000000), wk = 0.0026455 k( 196) = ( -0.2894737 0.2894737 0.0000000), wk = 0.0026455 k( 197) = ( -0.3157895 0.3157895 0.0000000), wk = 0.0026455 k( 198) = ( -0.3421053 0.3421053 0.0000000), wk = 0.0026455 k( 199) = ( -0.3684211 0.3684211 0.0000000), wk = 0.0026455 k( 200) = ( -0.3947368 0.3947368 0.0000000), wk = 0.0026455 k( 201) = ( -0.4210526 0.4210526 0.0000000), wk = 0.0026455 k( 202) = ( -0.4473684 0.4473684 0.0000000), wk = 0.0026455 k( 203) = ( -0.4736842 0.4736842 0.0000000), wk = 0.0026455 k( 204) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 205) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 206) = ( -0.4934655 0.5065345 0.0000000), wk = 0.0026455 k( 207) = ( -0.4869309 0.5130691 0.0000000), wk = 0.0026455 k( 208) = ( -0.4803964 0.5196036 0.0000000), wk = 0.0026455 k( 209) = ( -0.4738618 0.5261382 0.0000000), wk = 0.0026455 k( 210) = ( -0.4673273 0.5326727 0.0000000), wk = 0.0026455 k( 211) = ( -0.4607927 0.5392073 0.0000000), wk = 0.0026455 k( 212) = ( -0.4542582 0.5457418 0.0000000), wk = 0.0026455 k( 213) = ( -0.4477237 0.5522763 0.0000000), wk = 0.0026455 k( 214) = ( -0.4411891 0.5588109 0.0000000), wk = 0.0026455 k( 215) = ( -0.4346546 0.5653454 0.0000000), wk = 0.0026455 k( 216) = ( -0.4281200 0.5718800 0.0000000), wk = 0.0026455 k( 217) = ( -0.4215855 0.5784145 0.0000000), wk = 0.0026455 k( 218) = ( -0.4150509 0.5849491 0.0000000), wk = 0.0026455 k( 219) = ( -0.4085164 0.5914836 0.0000000), wk = 0.0026455 k( 220) = ( -0.4019819 0.5980181 0.0000000), wk = 0.0026455 k( 221) = ( -0.3954473 0.6045527 0.0000000), wk = 0.0026455 k( 222) = ( -0.3889128 0.6110872 0.0000000), wk = 0.0026455 k( 223) = ( -0.3823782 0.6176218 0.0000000), wk = 0.0026455 k( 224) = ( -0.3758437 0.6241563 0.0000000), wk = 0.0026455 k( 225) = ( -0.3693092 0.6306908 0.0000000), wk = 0.0026455 k( 226) = ( -0.3627746 0.6372254 0.0000000), wk = 0.0026455 k( 227) = ( -0.3562401 0.6437599 0.0000000), wk = 0.0026455 k( 228) = ( -0.3497055 0.6502945 0.0000000), wk = 0.0026455 k( 229) = ( -0.3431710 0.6568290 0.0000000), wk = 0.0026455 k( 230) = ( -0.3366364 0.6633636 0.0000000), wk = 0.0026455 k( 231) = ( -0.3301019 0.6698981 0.0000000), wk = 0.0026455 k( 232) = ( -0.3235674 0.6764326 0.0000000), wk = 0.0026455 k( 233) = ( -0.3170328 0.6829672 -0.0000000), wk = 0.0026455 k( 234) = ( -0.3104983 0.6895017 0.0000000), wk = 0.0026455 k( 235) = ( -0.3039637 0.6960363 0.0000000), wk = 0.0026455 k( 236) = ( -0.2974292 0.7025708 0.0000000), wk = 0.0026455 k( 237) = ( -0.2908946 0.7091053 0.0000000), wk = 0.0026455 k( 238) = ( -0.2843601 0.7156399 0.0000000), wk = 0.0026455 k( 239) = ( -0.2778256 0.7221744 0.0000000), wk = 0.0026455 k( 240) = ( -0.2712910 0.7287090 0.0000000), wk = 0.0026455 k( 241) = ( -0.2647565 0.7352435 0.0000000), wk = 0.0026455 k( 242) = ( -0.2647565 0.7352435 0.0000000), wk = 0.0026455 k( 243) = ( -0.2647565 0.7352435 0.0128205), wk = 0.0026455 k( 244) = ( -0.2647565 0.7352435 0.0256410), wk = 0.0026455 k( 245) = ( -0.2647565 0.7352435 0.0384615), wk = 0.0026455 k( 246) = ( -0.2647565 0.7352435 0.0512821), wk = 0.0026455 k( 247) = ( -0.2647565 0.7352435 0.0641026), wk = 0.0026455 k( 248) = ( -0.2647565 0.7352435 0.0769231), wk = 0.0026455 k( 249) = ( -0.2647565 0.7352435 0.0897436), wk = 0.0026455 k( 250) = ( -0.2647565 0.7352435 0.1025641), wk = 0.0026455 k( 251) = ( -0.2647565 0.7352435 0.1153846), wk = 0.0026455 k( 252) = ( -0.2647565 0.7352435 0.1282051), wk = 0.0026455 k( 253) = ( -0.2647565 0.7352435 0.1410256), wk = 0.0026455 k( 254) = ( -0.2647565 0.7352435 0.1538461), wk = 0.0026455 k( 255) = ( -0.2647565 0.7352435 0.1666667), wk = 0.0026455 k( 256) = ( -0.2647565 0.7352435 0.1794872), wk = 0.0026455 k( 257) = ( -0.2647565 0.7352435 0.1923077), wk = 0.0026455 k( 258) = ( -0.2647565 0.7352435 0.2051282), wk = 0.0026455 k( 259) = ( -0.2647565 0.7352435 0.2179487), wk = 0.0026455 k( 260) = ( -0.2647565 0.7352435 0.2307692), wk = 0.0026455 k( 261) = ( -0.2647565 0.7352435 0.2435897), wk = 0.0026455 k( 262) = ( -0.2647565 0.7352435 0.2564103), wk = 0.0026455 k( 263) = ( -0.2647565 0.7352435 0.2692308), wk = 0.0026455 k( 264) = ( -0.2647565 0.7352435 0.2820513), wk = 0.0026455 k( 265) = ( -0.2647565 0.7352435 0.2948718), wk = 0.0026455 k( 266) = ( -0.2647565 0.7352435 0.3076923), wk = 0.0026455 k( 267) = ( -0.2647565 0.7352435 0.3205128), wk = 0.0026455 k( 268) = ( -0.2647565 0.7352435 0.3333333), wk = 0.0026455 k( 269) = ( -0.2647565 0.7352435 0.3461538), wk = 0.0026455 k( 270) = ( -0.2647565 0.7352435 0.3589744), wk = 0.0026455 k( 271) = ( -0.2647565 0.7352435 0.3717949), wk = 0.0026455 k( 272) = ( -0.2647565 0.7352435 0.3846154), wk = 0.0026455 k( 273) = ( -0.2647565 0.7352435 0.3974359), wk = 0.0026455 k( 274) = ( -0.2647565 0.7352435 0.4102564), wk = 0.0026455 k( 275) = ( -0.2647565 0.7352435 0.4230769), wk = 0.0026455 k( 276) = ( -0.2647565 0.7352435 0.4358974), wk = 0.0026455 k( 277) = ( -0.2647565 0.7352435 0.4487179), wk = 0.0026455 k( 278) = ( -0.2647565 0.7352435 0.4615385), wk = 0.0026455 k( 279) = ( -0.2647565 0.7352435 0.4743590), wk = 0.0026455 k( 280) = ( -0.2647565 0.7352435 0.4871795), wk = 0.0026455 k( 281) = ( -0.2647565 0.7352435 0.5000000), wk = 0.0026455 k( 282) = ( -0.2647565 0.7352435 0.5000000), wk = 0.0026455 k( 283) = ( -0.2712910 0.7287090 0.5000000), wk = 0.0026455 k( 284) = ( -0.2778256 0.7221744 0.5000000), wk = 0.0026455 k( 285) = ( -0.2843601 0.7156399 0.5000000), wk = 0.0026455 k( 286) = ( -0.2908946 0.7091053 0.5000000), wk = 0.0026455 k( 287) = ( -0.2974292 0.7025708 0.5000000), wk = 0.0026455 k( 288) = ( -0.3039637 0.6960363 0.5000000), wk = 0.0026455 k( 289) = ( -0.3104983 0.6895017 0.5000000), wk = 0.0026455 k( 290) = ( -0.3170328 0.6829672 0.5000000), wk = 0.0026455 k( 291) = ( -0.3235674 0.6764326 0.5000000), wk = 0.0026455 k( 292) = ( -0.3301019 0.6698981 0.5000000), wk = 0.0026455 k( 293) = ( -0.3366364 0.6633636 0.5000000), wk = 0.0026455 k( 294) = ( -0.3431710 0.6568290 0.5000000), wk = 0.0026455 k( 295) = ( -0.3497055 0.6502945 0.5000000), wk = 0.0026455 k( 296) = ( -0.3562401 0.6437599 0.5000000), wk = 0.0026455 k( 297) = ( -0.3627746 0.6372254 0.5000000), wk = 0.0026455 k( 298) = ( -0.3693092 0.6306908 0.5000000), wk = 0.0026455 k( 299) = ( -0.3758437 0.6241563 0.5000000), wk = 0.0026455 k( 300) = ( -0.3823782 0.6176218 0.5000000), wk = 0.0026455 k( 301) = ( -0.3889128 0.6110872 0.5000000), wk = 0.0026455 k( 302) = ( -0.3954473 0.6045527 0.5000000), wk = 0.0026455 k( 303) = ( -0.4019819 0.5980181 0.5000000), wk = 0.0026455 k( 304) = ( -0.4085164 0.5914836 0.5000000), wk = 0.0026455 k( 305) = ( -0.4150509 0.5849491 0.5000000), wk = 0.0026455 k( 306) = ( -0.4215855 0.5784145 0.5000000), wk = 0.0026455 k( 307) = ( -0.4281200 0.5718800 0.5000000), wk = 0.0026455 k( 308) = ( -0.4346546 0.5653454 0.5000000), wk = 0.0026455 k( 309) = ( -0.4411891 0.5588109 0.5000000), wk = 0.0026455 k( 310) = ( -0.4477237 0.5522763 0.5000000), wk = 0.0026455 k( 311) = ( -0.4542582 0.5457418 0.5000000), wk = 0.0026455 k( 312) = ( -0.4607927 0.5392073 0.5000000), wk = 0.0026455 k( 313) = ( -0.4673273 0.5326727 0.5000000), wk = 0.0026455 k( 314) = ( -0.4738618 0.5261382 0.5000000), wk = 0.0026455 k( 315) = ( -0.4803964 0.5196036 0.5000000), wk = 0.0026455 k( 316) = ( -0.4869309 0.5130691 0.5000000), wk = 0.0026455 k( 317) = ( -0.4934655 0.5065345 0.5000000), wk = 0.0026455 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 319) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 320) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0026455 k( 321) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0026455 k( 322) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0026455 k( 323) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0026455 k( 324) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0026455 k( 325) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0026455 k( 326) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0026455 k( 327) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0026455 k( 328) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0026455 k( 329) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0026455 k( 330) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0026455 k( 331) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0026455 k( 332) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026455 k( 333) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0026455 k( 334) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0026455 k( 335) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0026455 k( 336) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0026455 k( 337) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0026455 k( 338) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0026455 k( 339) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0026455 k( 340) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0026455 k( 341) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0026455 k( 342) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0026455 k( 343) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0026455 k( 344) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0026455 k( 345) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026455 k( 346) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0026455 k( 347) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0026455 k( 348) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0026455 k( 349) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0026455 k( 350) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0026455 k( 351) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0026455 k( 352) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0026455 k( 353) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0026455 k( 354) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0026455 k( 355) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0026455 k( 356) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0026455 k( 357) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0026455 k( 358) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 359) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 360) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0026455 k( 361) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0026455 k( 362) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0026455 k( 363) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0026455 k( 364) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0026455 k( 365) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0026455 k( 366) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0026455 k( 367) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0026455 k( 368) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0026455 k( 369) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0026455 k( 370) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0026455 k( 371) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0026455 k( 372) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0026455 k( 373) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0026455 k( 374) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0026455 k( 375) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0026455 k( 376) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0026455 k( 377) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0026455 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 76735 G-vectors FFT dimensions: ( 90, 90, 45) Smooth grid: 42291 G-vectors FFT dimensions: ( 75, 75, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 334, 68) NL pseudopotentials 0.49 Mb ( 167, 192) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.02 Mb ( 2133) G-vector shells 0.01 Mb ( 1106) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.39 Mb ( 334, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.40 Mb ( 192, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaNiGe2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.8 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.9 secs Computing kpt #: 6 total cpu time spent up to now is 13.4 secs Computing kpt #: 7 total cpu time spent up to now is 14.9 secs Computing kpt #: 8 total cpu time spent up to now is 16.3 secs Computing kpt #: 9 total cpu time spent up to now is 17.8 secs Computing kpt #: 10 total cpu time spent up to now is 19.3 secs Computing kpt #: 11 total cpu time spent up to now is 20.8 secs Computing kpt #: 12 total cpu time spent up to now is 22.5 secs Computing kpt #: 13 total cpu time spent up to now is 24.1 secs Computing kpt #: 14 total cpu time spent up to now is 25.8 secs Computing kpt #: 15 total cpu time spent up to now is 27.8 secs Computing kpt #: 16 total cpu time spent up to now is 30.2 secs Computing kpt #: 17 total cpu time spent up to now is 32.8 secs Computing kpt #: 18 total cpu time spent up to now is 34.7 secs Computing kpt #: 19 total cpu time spent up to now is 37.3 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.2 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.0 secs Computing kpt #: 22 total cpu time spent up to now is 44.9 secs Computing kpt #: 23 total cpu time spent up to now is 46.7 secs Computing kpt #: 24 total cpu time spent up to now is 48.3 secs Computing kpt #: 25 total cpu time spent up to now is 49.9 secs Computing kpt #: 26 total cpu time spent up to now is 51.6 secs Computing kpt #: 27 total cpu time spent up to now is 53.2 secs Computing kpt #: 28 total cpu time spent up to now is 54.7 secs Computing kpt #: 29 total cpu time spent up to now is 56.1 secs Computing kpt #: 30 total cpu time spent up to now is 57.7 secs Computing kpt #: 31 total cpu time spent up to now is 59.2 secs Computing kpt #: 32 total cpu time spent up to now is 60.6 secs Computing kpt #: 33 total cpu time spent up to now is 62.0 secs Computing kpt #: 34 total cpu time spent up to now is 63.4 secs Computing kpt #: 35 total cpu time spent up to now is 64.8 secs Computing kpt #: 36 total cpu time spent up to now is 66.2 secs Computing kpt #: 37 total cpu time spent up to now is 67.6 secs Computing kpt #: 38 total cpu time spent up to now is 69.0 secs Computing kpt #: 39 total cpu time spent up to now is 70.4 secs Computing kpt #: 40 total cpu time spent up to now is 71.8 secs Computing kpt #: 41 total cpu time spent up to now is 73.3 secs Computing kpt #: 42 total cpu time spent up to now is 74.8 secs Computing kpt #: 43 total cpu time spent up to now is 76.4 secs Computing kpt #: 44 total cpu time spent up to now is 77.9 secs Computing kpt #: 45 total cpu time spent up to now is 79.5 secs Computing kpt #: 46 total cpu time spent up to now is 81.1 secs Computing kpt #: 47 total cpu time spent up to now is 82.6 secs Computing kpt #: 48 total cpu time spent up to now is 84.1 secs Computing kpt #: 49 total cpu time spent up to now is 85.7 secs Computing kpt #: 50 total cpu time spent up to now is 87.3 secs Computing kpt #: 51 total cpu time spent up to now is 88.7 secs Computing kpt #: 52 total cpu time spent up to now is 90.3 secs Computing kpt #: 53 total cpu time spent up to now is 91.9 secs Computing kpt #: 54 total cpu time spent up to now is 93.5 secs Computing kpt #: 55 total cpu time spent up to now is 95.1 secs Computing kpt #: 56 total cpu time spent up to now is 96.7 secs Computing kpt #: 57 total cpu time spent up to now is 98.4 secs Computing kpt #: 58 total cpu time spent up to now is 100.2 secs Computing kpt #: 59 total cpu time spent up to now is 102.3 secs Computing kpt #: 60 total cpu time spent up to now is 104.3 secs Computing kpt #: 61 total cpu time spent up to now is 106.4 secs Computing kpt #: 62 total cpu time spent up to now is 108.6 secs Computing kpt #: 63 total cpu time spent up to now is 110.4 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.0 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.8 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.7 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.3 secs Computing kpt #: 70 total cpu time spent up to now is 129.0 secs Computing kpt #: 71 total cpu time spent up to now is 131.0 secs Computing kpt #: 72 total cpu time spent up to now is 132.8 secs Computing kpt #: 73 total cpu time spent up to now is 134.4 secs Computing kpt #: 74 total cpu time spent up to now is 135.9 secs Computing kpt #: 75 total cpu time spent up to now is 137.6 secs Computing kpt #: 76 total cpu time spent up to now is 139.2 secs Computing kpt #: 77 total cpu time spent up to now is 140.8 secs Computing kpt #: 78 total cpu time spent up to now is 142.4 secs Computing kpt #: 79 total cpu time spent up to now is 143.8 secs Computing kpt #: 80 total cpu time spent up to now is 145.3 secs Computing kpt #: 81 total cpu time spent up to now is 146.7 secs Computing kpt #: 82 total cpu time spent up to now is 148.0 secs Computing kpt #: 83 total cpu time spent up to now is 149.4 secs Computing kpt #: 84 total cpu time spent up to now is 150.8 secs Computing kpt #: 85 total cpu time spent up to now is 152.2 secs Computing kpt #: 86 total cpu time spent up to now is 153.6 secs Computing kpt #: 87 total cpu time spent up to now is 154.9 secs Computing kpt #: 88 total cpu time spent up to now is 156.2 secs Computing kpt #: 89 total cpu time spent up to now is 157.5 secs Computing kpt #: 90 total cpu time spent up to now is 158.7 secs Computing kpt #: 91 total cpu time spent up to now is 160.1 secs Computing kpt #: 92 total cpu time spent up to now is 161.4 secs Computing kpt #: 93 total cpu time spent up to now is 162.7 secs Computing kpt #: 94 total cpu time spent up to now is 164.0 secs Computing kpt #: 95 total cpu time spent up to now is 165.2 secs Computing kpt #: 96 total cpu time spent up to now is 166.5 secs Computing kpt #: 97 total cpu time spent up to now is 167.7 secs Computing kpt #: 98 total cpu time spent up to now is 169.0 secs Computing kpt #: 99 total cpu time spent up to now is 170.4 secs Computing kpt #: 100 total cpu time spent up to now is 171.7 secs Computing kpt #: 101 total cpu time spent up to now is 173.1 secs Computing kpt #: 102 total cpu time spent up to now is 174.6 secs Computing kpt #: 103 total cpu time spent up to now is 176.0 secs Computing kpt #: 104 total cpu time spent up to now is 177.4 secs Computing kpt #: 105 total cpu time spent up to now is 178.6 secs Computing kpt #: 106 total cpu time spent up to now is 179.9 secs Computing kpt #: 107 total cpu time spent up to now is 181.3 secs Computing kpt #: 108 total cpu time spent up to now is 182.7 secs Computing kpt #: 109 total cpu time spent up to now is 184.1 secs Computing kpt #: 110 total cpu time spent up to now is 185.6 secs Computing kpt #: 111 total cpu time spent up to now is 187.2 secs Computing kpt #: 112 total cpu time spent up to now is 188.8 secs Computing kpt #: 113 total cpu time spent up to now is 190.4 secs Computing kpt #: 114 total cpu time spent up to now is 191.9 secs Computing kpt #: 115 total cpu time spent up to now is 193.6 secs Computing kpt #: 116 total cpu time spent up to now is 195.3 secs Computing kpt #: 117 total cpu time spent up to now is 197.4 secs Computing kpt #: 118 total cpu time spent up to now is 199.4 secs Computing kpt #: 119 total cpu time spent up to now is 201.9 secs Computing kpt #: 120 total cpu time spent up to now is 204.7 secs Computing kpt #: 121 total cpu time spent up to now is 206.7 secs Computing kpt #: 122 total cpu time spent up to now is 208.7 secs Computing kpt #: 123 total cpu time spent up to now is 211.1 secs Computing kpt #: 124 total cpu time spent up to now is 213.4 secs Computing kpt #: 125 total cpu time spent up to now is 215.9 secs Computing kpt #: 126 total cpu time spent up to now is 218.2 secs Computing kpt #: 127 total cpu time spent up to now is 220.1 secs Computing kpt #: 128 total cpu time spent up to now is 221.8 secs Computing kpt #: 129 total cpu time spent up to now is 223.4 secs Computing kpt #: 130 total cpu time spent up to now is 225.0 secs Computing kpt #: 131 total cpu time spent up to now is 226.5 secs Computing kpt #: 132 total cpu time spent up to now is 227.8 secs Computing kpt #: 133 total cpu time spent up to now is 229.2 secs Computing kpt #: 134 total cpu time spent up to now is 230.5 secs Computing kpt #: 135 total cpu time spent up to now is 231.8 secs Computing kpt #: 136 total cpu time spent up to now is 233.0 secs Computing kpt #: 137 total cpu time spent up to now is 234.2 secs Computing kpt #: 138 total cpu time spent up to now is 235.4 secs Computing kpt #: 139 total cpu time spent up to now is 236.6 secs Computing kpt #: 140 total cpu time spent up to now is 237.8 secs Computing kpt #: 141 total cpu time spent up to now is 238.9 secs Computing kpt #: 142 total cpu time spent up to now is 240.0 secs Computing kpt #: 143 total cpu time spent up to now is 241.1 secs Computing kpt #: 144 total cpu time spent up to now is 242.1 secs Computing kpt #: 145 total cpu time spent up to now is 243.2 secs Computing kpt #: 146 total cpu time spent up to now is 244.3 secs Computing kpt #: 147 total cpu time spent up to now is 245.3 secs Computing kpt #: 148 total cpu time spent up to now is 246.4 secs Computing kpt #: 149 total cpu time spent up to now is 247.6 secs Computing kpt #: 150 total cpu time spent up to now is 248.8 secs Computing kpt #: 151 total cpu time spent up to now is 249.9 secs Computing kpt #: 152 total cpu time spent up to now is 251.0 secs Computing kpt #: 153 total cpu time spent up to now is 252.2 secs Computing kpt #: 154 total cpu time spent up to now is 253.4 secs Computing kpt #: 155 total cpu time spent up to now is 254.7 secs Computing kpt #: 156 total cpu time spent up to now is 256.0 secs Computing kpt #: 157 total cpu time spent up to now is 257.3 secs Computing kpt #: 158 total cpu time spent up to now is 258.7 secs Computing kpt #: 159 total cpu time spent up to now is 260.1 secs Computing kpt #: 160 total cpu time spent up to now is 261.8 secs Computing kpt #: 161 total cpu time spent up to now is 263.5 secs Computing kpt #: 162 total cpu time spent up to now is 265.2 secs Computing kpt #: 163 total cpu time spent up to now is 266.9 secs Computing kpt #: 164 total cpu time spent up to now is 268.6 secs Computing kpt #: 165 total cpu time spent up to now is 270.2 secs Computing kpt #: 166 total cpu time spent up to now is 271.8 secs Computing kpt #: 167 total cpu time spent up to now is 273.2 secs Computing kpt #: 168 total cpu time spent up to now is 274.7 secs Computing kpt #: 169 total cpu time spent up to now is 276.0 secs Computing kpt #: 170 total cpu time spent up to now is 277.5 secs Computing kpt #: 171 total cpu time spent up to now is 278.9 secs Computing kpt #: 172 total cpu time spent up to now is 280.4 secs Computing kpt #: 173 total cpu time spent up to now is 282.4 secs Computing kpt #: 174 total cpu time spent up to now is 284.2 secs Computing kpt #: 175 total cpu time spent up to now is 285.9 secs Computing kpt #: 176 total cpu time spent up to now is 287.6 secs Computing kpt #: 177 total cpu time spent up to now is 289.3 secs Computing kpt #: 178 total cpu time spent up to now is 291.0 secs Computing kpt #: 179 total cpu time spent up to now is 292.7 secs Computing kpt #: 180 total cpu time spent up to now is 294.5 secs Computing kpt #: 181 total cpu time spent up to now is 296.2 secs Computing kpt #: 182 total cpu time spent up to now is 297.9 secs Computing kpt #: 183 total cpu time spent up to now is 299.7 secs Computing kpt #: 184 total cpu time spent up to now is 301.4 secs Computing kpt #: 185 total cpu time spent up to now is 303.1 secs Computing kpt #: 186 total cpu time spent up to now is 304.8 secs Computing kpt #: 187 total cpu time spent up to now is 306.5 secs Computing kpt #: 188 total cpu time spent up to now is 308.4 secs Computing kpt #: 189 total cpu time spent up to now is 310.8 secs Computing kpt #: 190 total cpu time spent up to now is 312.6 secs Computing kpt #: 191 total cpu time spent up to now is 314.5 secs Computing kpt #: 192 total cpu time spent up to now is 316.3 secs Computing kpt #: 193 total cpu time spent up to now is 318.5 secs Computing kpt #: 194 total cpu time spent up to now is 320.5 secs Computing kpt #: 195 total cpu time spent up to now is 323.1 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.0 secs Computing kpt #: 197 total cpu time spent up to now is 328.4 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.2 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.1 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.0 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.8 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.3 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.1 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.9 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.6 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 208 total cpu time spent up to now is 358.7 secs Computing kpt #: 209 total cpu time spent up to now is 360.7 secs Computing kpt #: 210 total cpu time spent up to now is 362.4 secs Computing kpt #: 211 total cpu time spent up to now is 364.0 secs Computing kpt #: 212 total cpu time spent up to now is 365.8 secs Computing kpt #: 213 total cpu time spent up to now is 367.6 secs Computing kpt #: 214 total cpu time spent up to now is 369.4 secs Computing kpt #: 215 total cpu time spent up to now is 371.1 secs Computing kpt #: 216 total cpu time spent up to now is 372.8 secs Computing kpt #: 217 total cpu time spent up to now is 374.6 secs Computing kpt #: 218 total cpu time spent up to now is 376.3 secs Computing kpt #: 219 total cpu time spent up to now is 378.0 secs Computing kpt #: 220 total cpu time spent up to now is 379.7 secs Computing kpt #: 221 total cpu time spent up to now is 381.4 secs Computing kpt #: 222 total cpu time spent up to now is 383.3 secs Computing kpt #: 223 total cpu time spent up to now is 385.0 secs Computing kpt #: 224 total cpu time spent up to now is 386.6 secs Computing kpt #: 225 total cpu time spent up to now is 388.2 secs Computing kpt #: 226 total cpu time spent up to now is 389.9 secs Computing kpt #: 227 total cpu time spent up to now is 391.6 secs Computing kpt #: 228 total cpu time spent up to now is 393.3 secs Computing kpt #: 229 total cpu time spent up to now is 395.0 secs Computing kpt #: 230 total cpu time spent up to now is 397.0 secs Computing kpt #: 231 total cpu time spent up to now is 399.1 secs Computing kpt #: 232 total cpu time spent up to now is 401.4 secs Computing kpt #: 233 total cpu time spent up to now is 404.0 secs Computing kpt #: 234 total cpu time spent up to now is 406.3 secs Computing kpt #: 235 total cpu time spent up to now is 408.3 secs Computing kpt #: 236 total cpu time spent up to now is 410.2 secs Computing kpt #: 237 total cpu time spent up to now is 412.2 secs Computing kpt #: 238 total cpu time spent up to now is 414.6 secs Computing kpt #: 239 total cpu time spent up to now is 416.2 secs Computing kpt #: 240 total cpu time spent up to now is 417.6 secs Computing kpt #: 241 total cpu time spent up to now is 419.1 secs Computing kpt #: 242 total cpu time spent up to now is 420.5 secs Computing kpt #: 243 total cpu time spent up to now is 422.1 secs Computing kpt #: 244 total cpu time spent up to now is 423.7 secs Computing kpt #: 245 total cpu time spent up to now is 425.4 secs Computing kpt #: 246 total cpu time spent up to now is 427.0 secs Computing kpt #: 247 total cpu time spent up to now is 428.6 secs Computing kpt #: 248 total cpu time spent up to now is 430.2 secs Computing kpt #: 249 total cpu time spent up to now is 431.9 secs Computing kpt #: 250 total cpu time spent up to now is 433.4 secs Computing kpt #: 251 total cpu time spent up to now is 435.0 secs Computing kpt #: 252 total cpu time spent up to now is 436.8 secs Computing kpt #: 253 total cpu time spent up to now is 438.5 secs Computing kpt #: 254 total cpu time spent up to now is 440.1 secs Computing kpt #: 255 total cpu time spent up to now is 441.6 secs Computing kpt #: 256 total cpu time spent up to now is 443.1 secs Computing kpt #: 257 total cpu time spent up to now is 444.6 secs Computing kpt #: 258 total cpu time spent up to now is 446.0 secs Computing kpt #: 259 total cpu time spent up to now is 447.4 secs Computing kpt #: 260 total cpu time spent up to now is 448.9 secs Computing kpt #: 261 total cpu time spent up to now is 450.3 secs Computing kpt #: 262 total cpu time spent up to now is 452.0 secs Computing kpt #: 263 total cpu time spent up to now is 453.4 secs Computing kpt #: 264 total cpu time spent up to now is 454.9 secs Computing kpt #: 265 total cpu time spent up to now is 456.5 secs Computing kpt #: 266 total cpu time spent up to now is 458.0 secs Computing kpt #: 267 total cpu time spent up to now is 459.5 secs Computing kpt #: 268 total cpu time spent up to now is 461.1 secs Computing kpt #: 269 total cpu time spent up to now is 462.7 secs Computing kpt #: 270 total cpu time spent up to now is 464.3 secs Computing kpt #: 271 total cpu time spent up to now is 465.9 secs Computing kpt #: 272 total cpu time spent up to now is 467.5 secs Computing kpt #: 273 total cpu time spent up to now is 469.0 secs Computing kpt #: 274 total cpu time spent up to now is 470.6 secs Computing kpt #: 275 total cpu time spent up to now is 472.1 secs Computing kpt #: 276 total cpu time spent up to now is 473.5 secs Computing kpt #: 277 total cpu time spent up to now is 475.1 secs Computing kpt #: 278 total cpu time spent up to now is 476.6 secs Computing kpt #: 279 total cpu time spent up to now is 478.0 secs Computing kpt #: 280 total cpu time spent up to now is 479.5 secs Computing kpt #: 281 total cpu time spent up to now is 480.9 secs Computing kpt #: 282 total cpu time spent up to now is 482.4 secs Computing kpt #: 283 total cpu time spent up to now is 484.0 secs Computing kpt #: 284 total cpu time spent up to now is 485.6 secs Computing kpt #: 285 total cpu time spent up to now is 487.3 secs Computing kpt #: 286 total cpu time spent up to now is 488.9 secs Computing kpt #: 287 total cpu time spent up to now is 490.5 secs Computing kpt #: 288 total cpu time spent up to now is 492.2 secs Computing kpt #: 289 total cpu time spent up to now is 493.8 secs Computing kpt #: 290 total cpu time spent up to now is 495.4 secs Computing kpt #: 291 total cpu time spent up to now is 497.0 secs Computing kpt #: 292 total cpu time spent up to now is 498.7 secs Computing kpt #: 293 total cpu time spent up to now is 500.4 secs Computing kpt #: 294 total cpu time spent up to now is 502.1 secs Computing kpt #: 295 total cpu time spent up to now is 503.8 secs Computing kpt #: 296 total cpu time spent up to now is 505.3 secs Computing kpt #: 297 total cpu time spent up to now is 506.9 secs Computing kpt #: 298 total cpu time spent up to now is 508.5 secs Computing kpt #: 299 total cpu time spent up to now is 510.0 secs Computing kpt #: 300 total cpu time spent up to now is 511.5 secs Computing kpt #: 301 total cpu time spent up to now is 513.0 secs Computing kpt #: 302 total cpu time spent up to now is 514.5 secs Computing kpt #: 303 total cpu time spent up to now is 516.0 secs Computing kpt #: 304 total cpu time spent up to now is 517.5 secs Computing kpt #: 305 total cpu time spent up to now is 518.9 secs Computing kpt #: 306 total cpu time spent up to now is 520.5 secs Computing kpt #: 307 total cpu time spent up to now is 522.1 secs Computing kpt #: 308 total cpu time spent up to now is 523.8 secs Computing kpt #: 309 total cpu time spent up to now is 525.5 secs Computing kpt #: 310 total cpu time spent up to now is 527.3 secs Computing kpt #: 311 total cpu time spent up to now is 528.9 secs Computing kpt #: 312 total cpu time spent up to now is 530.6 secs Computing kpt #: 313 total cpu time spent up to now is 532.2 secs Computing kpt #: 314 total cpu time spent up to now is 533.8 secs Computing kpt #: 315 total cpu time spent up to now is 535.4 secs Computing kpt #: 316 total cpu time spent up to now is 537.1 secs Computing kpt #: 317 total cpu time spent up to now is 538.6 secs Computing kpt #: 318 total cpu time spent up to now is 540.1 secs Computing kpt #: 319 total cpu time spent up to now is 541.5 secs Computing kpt #: 320 total cpu time spent up to now is 543.2 secs Computing kpt #: 321 total cpu time spent up to now is 544.8 secs Computing kpt #: 322 total cpu time spent up to now is 546.4 secs Computing kpt #: 323 total cpu time spent up to now is 548.0 secs Computing kpt #: 324 total cpu time spent up to now is 549.7 secs Computing kpt #: 325 total cpu time spent up to now is 551.3 secs Computing kpt #: 326 total cpu time spent up to now is 553.9 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 328 total cpu time spent up to now is 559.4 secs Computing kpt #: 329 total cpu time spent up to now is 561.2 secs Computing kpt #: 330 total cpu time spent up to now is 563.0 secs Computing kpt #: 331 total cpu time spent up to now is 564.9 secs Computing kpt #: 332 total cpu time spent up to now is 566.7 secs Computing kpt #: 333 total cpu time spent up to now is 568.5 secs Computing kpt #: 334 total cpu time spent up to now is 570.5 secs Computing kpt #: 335 total cpu time spent up to now is 572.6 secs Computing kpt #: 336 total cpu time spent up to now is 574.3 secs Computing kpt #: 337 total cpu time spent up to now is 576.0 secs Computing kpt #: 338 total cpu time spent up to now is 577.7 secs Computing kpt #: 339 total cpu time spent up to now is 579.6 secs Computing kpt #: 340 total cpu time spent up to now is 581.5 secs Computing kpt #: 341 total cpu time spent up to now is 583.2 secs Computing kpt #: 342 total cpu time spent up to now is 584.7 secs Computing kpt #: 343 total cpu time spent up to now is 586.4 secs Computing kpt #: 344 total cpu time spent up to now is 588.3 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 591.2 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 594.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.1 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 600.0 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 602.9 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.8 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.6 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.4 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 614.2 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.1 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.9 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 622.7 secs Computing kpt #: 357 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.5 secs Computing kpt #: 358 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 628.3 secs Computing kpt #: 359 total cpu time spent up to now is 629.4 secs Computing kpt #: 360 total cpu time spent up to now is 630.4 secs Computing kpt #: 361 total cpu time spent up to now is 631.5 secs Computing kpt #: 362 total cpu time spent up to now is 632.7 secs Computing kpt #: 363 total cpu time spent up to now is 633.8 secs Computing kpt #: 364 total cpu time spent up to now is 635.0 secs Computing kpt #: 365 total cpu time spent up to now is 636.2 secs Computing kpt #: 366 total cpu time spent up to now is 637.5 secs Computing kpt #: 367 total cpu time spent up to now is 638.9 secs Computing kpt #: 368 total cpu time spent up to now is 640.2 secs Computing kpt #: 369 total cpu time spent up to now is 641.6 secs Computing kpt #: 370 total cpu time spent up to now is 643.0 secs Computing kpt #: 371 total cpu time spent up to now is 644.4 secs Computing kpt #: 372 total cpu time spent up to now is 645.8 secs Computing kpt #: 373 total cpu time spent up to now is 647.2 secs Computing kpt #: 374 total cpu time spent up to now is 648.7 secs Computing kpt #: 375 total cpu time spent up to now is 650.2 secs Computing kpt #: 376 total cpu time spent up to now is 651.7 secs Computing kpt #: 377 total cpu time spent up to now is 653.2 secs Computing kpt #: 378 total cpu time spent up to now is 654.7 secs ethr = 1.79E-08, avg # of iterations = 49.5 total cpu time spent up to now is 654.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5267 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1785 -13.1785 -12.8420 -12.8420 -12.8217 -12.8217 -12.7777 -12.7777 -12.7741 -12.7741 -2.7809 -2.7809 -1.7841 -1.7841 1.6695 1.6695 2.9106 2.9106 4.5686 4.5686 4.8182 4.8182 5.0797 5.0797 5.9432 5.9432 6.2495 6.2495 6.6397 6.6397 6.8042 6.8042 6.8150 6.8150 6.8918 6.8918 7.0917 7.0917 7.1143 7.1143 7.7576 7.7576 7.9085 7.9085 7.9384 7.9384 8.5541 8.5541 8.5795 8.5795 9.4025 9.4025 10.0721 10.0721 11.1047 11.1047 11.6630 11.6630 11.7826 11.7826 11.8162 11.8162 k = 0.0066 0.0272-0.0000 ( 5263 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1786 -13.1786 -12.8420 -12.8420 -12.8218 -12.8218 -12.7777 -12.7777 -12.7742 -12.7742 -2.7795 -2.7795 -1.7835 -1.7835 1.6705 1.6705 2.9037 2.9037 4.5694 4.5694 4.8224 4.8224 5.0805 5.0805 5.9432 5.9432 6.2496 6.2496 6.6372 6.6372 6.8027 6.8027 6.8150 6.8150 6.8924 6.8924 7.0909 7.0909 7.1167 7.1167 7.7520 7.7520 7.8878 7.8878 7.9538 7.9538 8.5549 8.5549 8.5858 8.5858 9.4026 9.4026 10.0755 10.0755 11.1066 11.1066 11.6486 11.6486 11.7687 11.7687 11.8079 11.8079 k = 0.0132 0.0545-0.0000 ( 5273 PWs) bands (ev): -31.8974 -31.8974 -31.8957 -31.8957 -13.1945 -13.1945 -13.1787 -13.1787 -12.8421 -12.8421 -12.8219 -12.8219 -12.7778 -12.7778 -12.7742 -12.7742 -2.7754 -2.7754 -1.7817 -1.7817 1.6736 1.6736 2.8832 2.8832 4.5717 4.5717 4.8351 4.8351 5.0827 5.0827 5.9431 5.9431 6.2498 6.2498 6.6295 6.6295 6.7983 6.7983 6.8150 6.8150 6.8942 6.8942 7.0892 7.0892 7.1228 7.1228 7.7352 7.7352 7.8524 7.8524 7.9735 7.9735 8.5574 8.5574 8.6044 8.6044 9.4030 9.4030 10.0849 10.0849 11.1118 11.1118 11.6122 11.6122 11.7322 11.7322 11.7841 11.7841 k = 0.0199 0.0817-0.0000 ( 5281 PWs) bands (ev): -31.8974 -31.8974 -31.8957 -31.8957 -13.1946 -13.1946 -13.1788 -13.1788 -12.8422 -12.8422 -12.8221 -12.8221 -12.7779 -12.7779 -12.7744 -12.7744 -2.7686 -2.7686 -1.7789 -1.7789 1.6787 1.6787 2.8497 2.8497 4.5756 4.5756 4.8554 4.8554 5.0865 5.0865 5.9429 5.9429 6.2502 6.2502 6.6170 6.6170 6.7914 6.7914 6.8148 6.8148 6.8968 6.8968 7.0874 7.0874 7.1318 7.1318 7.7085 7.7085 7.8119 7.8119 7.9895 7.9895 8.5617 8.5617 8.6335 8.6335 9.4035 9.4035 10.0986 10.0986 11.1190 11.1190 11.5655 11.5655 11.6839 11.6839 11.7472 11.7472 k = 0.0265 0.1090-0.0000 ( 5283 PWs) bands (ev): -31.8974 -31.8974 -31.8957 -31.8957 -13.1947 -13.1947 -13.1790 -13.1790 -12.8423 -12.8423 -12.8223 -12.8223 -12.7781 -12.7781 -12.7745 -12.7745 -2.7591 -2.7591 -1.7748 -1.7748 1.6858 1.6858 2.8043 2.8043 4.5810 4.5810 4.8828 4.8828 5.0918 5.0918 5.9425 5.9425 6.2507 6.2507 6.5994 6.5994 6.7824 6.7824 6.8146 6.8146 6.9001 6.9001 7.0861 7.0861 7.1430 7.1430 7.6734 7.6734 7.7680 7.7680 8.0018 8.0018 8.5678 8.5678 8.6712 8.6712 9.4041 9.4041 10.1135 10.1135 11.1253 11.1253 11.5169 11.5169 11.6340 11.6340 11.6995 11.6995 k = 0.0331 0.1362-0.0000 ( 5281 PWs) bands (ev): -31.8973 -31.8973 -31.8957 -31.8957 -13.1948 -13.1948 -13.1792 -13.1792 -12.8425 -12.8425 -12.8226 -12.8226 -12.7783 -12.7783 -12.7747 -12.7747 -2.7469 -2.7469 -1.7697 -1.7697 1.6948 1.6948 2.7481 2.7481 4.5880 4.5880 4.9162 4.9162 5.0986 5.0986 5.9417 5.9417 6.2512 6.2512 6.5770 6.5770 6.7716 6.7716 6.8143 6.8143 6.9037 6.9037 7.0852 7.0852 7.1562 7.1562 7.6317 7.6317 7.7218 7.7218 8.0112 8.0112 8.5756 8.5756 8.7152 8.7152 9.4048 9.4048 10.1257 10.1257 11.1259 11.1259 11.4724 11.4724 11.5916 11.5916 11.6435 11.6435 k = 0.0397 0.1635-0.0000 ( 5283 PWs) bands (ev): -31.8973 -31.8973 -31.8957 -31.8957 -13.1950 -13.1950 -13.1794 -13.1794 -12.8427 -12.8427 -12.8230 -12.8230 -12.7786 -12.7786 -12.7749 -12.7749 -2.7320 -2.7320 -1.7634 -1.7634 1.7055 1.7055 2.6826 2.6826 4.5964 4.5964 4.9544 4.9544 5.1070 5.1070 5.9404 5.9404 6.2515 6.2515 6.5499 6.5499 6.7594 6.7594 6.8138 6.8138 6.9073 6.9073 7.0847 7.0847 7.1711 7.1711 7.5855 7.5855 7.6742 7.6742 8.0181 8.0181 8.5852 8.5852 8.7638 8.7638 9.4054 9.4054 10.1309 10.1309 11.1145 11.1145 11.4362 11.4362 11.5653 11.5653 11.5825 11.5825 k = 0.0463 0.1907-0.0000 ( 5285 PWs) bands (ev): -31.8973 -31.8973 -31.8956 -31.8956 -13.1951 -13.1951 -13.1797 -13.1797 -12.8429 -12.8429 -12.8234 -12.8234 -12.7789 -12.7789 -12.7752 -12.7752 -2.7144 -2.7144 -1.7560 -1.7560 1.7178 1.7178 2.6090 2.6090 4.6064 4.6064 4.9965 4.9965 5.1169 5.1169 5.9383 5.9383 6.2516 6.2516 6.5184 6.5184 6.7457 6.7457 6.8131 6.8131 6.9109 6.9109 7.0846 7.0846 7.1876 7.1876 7.5367 7.5367 7.6260 7.6260 8.0233 8.0233 8.5966 8.5966 8.8151 8.8151 9.4059 9.4059 10.1250 10.1250 11.0859 11.0859 11.4105 11.4105 11.5160 11.5160 11.5655 11.5655 k = 0.0530 0.2179-0.0000 ( 5283 PWs) bands (ev): -31.8972 -31.8972 -31.8956 -31.8956 -13.1953 -13.1953 -13.1801 -13.1801 -12.8431 -12.8431 -12.8239 -12.8239 -12.7792 -12.7792 -12.7755 -12.7755 -2.6941 -2.6941 -1.7476 -1.7476 1.7312 1.7312 2.5290 2.5290 4.6179 4.6179 5.0415 5.0415 5.1286 5.1286 5.9349 5.9349 6.2509 6.2509 6.4829 6.4829 6.7310 6.7310 6.8123 6.8123 6.9144 6.9144 7.0848 7.0848 7.2055 7.2055 7.4869 7.4869 7.5779 7.5779 8.0269 8.0269 8.6098 8.6098 8.8680 8.8680 9.4062 9.4062 10.1050 10.1050 11.0404 11.0404 11.3889 11.3889 11.4594 11.4594 11.5886 11.5886 k = 0.0596 0.2452-0.0000 ( 5283 PWs) bands (ev): -31.8972 -31.8972 -31.8955 -31.8955 -13.1955 -13.1955 -13.1805 -13.1805 -12.8434 -12.8434 -12.8245 -12.8245 -12.7796 -12.7796 -12.7758 -12.7758 -2.6712 -2.6712 -1.7382 -1.7382 1.7452 1.7452 2.4439 2.4439 4.6308 4.6308 5.0878 5.0878 5.1428 5.1428 5.9298 5.9298 6.2488 6.2488 6.4449 6.4449 6.7153 6.7153 6.8114 6.8114 6.9177 6.9177 7.0853 7.0853 7.2245 7.2245 7.4379 7.4379 7.5303 7.5303 8.0294 8.0294 8.6249 8.6249 8.9212 8.9212 9.4060 9.4060 10.0694 10.0694 10.9824 10.9824 11.3419 11.3419 11.4415 11.4415 11.6334 11.6334 k = 0.0662 0.2724-0.0000 ( 5291 PWs) bands (ev): -31.8971 -31.8971 -31.8954 -31.8954 -13.1957 -13.1957 -13.1809 -13.1809 -12.8437 -12.8437 -12.8251 -12.8251 -12.7800 -12.7800 -12.7761 -12.7761 -2.6457 -2.6457 -1.7277 -1.7277 1.7589 1.7589 2.3556 2.3556 4.6452 4.6452 5.1312 5.1312 5.1631 5.1631 5.9221 5.9221 6.2441 6.2441 6.4062 6.4062 6.6985 6.6985 6.8101 6.8101 6.9208 6.9208 7.0861 7.0861 7.2443 7.2443 7.3907 7.3907 7.4836 7.4836 8.0308 8.0308 8.6418 8.6418 8.9741 8.9741 9.4054 9.4054 10.0186 10.0186 10.9171 10.9171 11.2720 11.2720 11.4595 11.4595 11.6954 11.6954 k = 0.0728 0.2997-0.0000 ( 5285 PWs) bands (ev): -31.8970 -31.8970 -31.8954 -31.8954 -13.1959 -13.1959 -13.1814 -13.1814 -12.8441 -12.8441 -12.8258 -12.8258 -12.7804 -12.7804 -12.7764 -12.7764 -2.6177 -2.6177 -1.7162 -1.7162 1.7706 1.7706 2.2667 2.2667 4.6610 4.6610 5.1599 5.1599 5.2005 5.2005 5.9107 5.9107 6.2345 6.2345 6.3707 6.3707 6.6809 6.6809 6.8087 6.8087 6.9236 6.9236 7.0873 7.0873 7.2640 7.2640 7.3466 7.3466 7.4386 7.4386 8.0311 8.0311 8.6607 8.6607 9.0260 9.0260 9.4041 9.4041 9.9543 9.9543 10.8484 10.8484 11.1958 11.1958 11.4953 11.4953 11.7710 11.7710 k = 0.0794 0.3269-0.0000 ( 5291 PWs) bands (ev): -31.8970 -31.8970 -31.8953 -31.8953 -13.1962 -13.1962 -13.1819 -13.1819 -12.8445 -12.8445 -12.8266 -12.8266 -12.7809 -12.7809 -12.7767 -12.7767 -2.5870 -2.5870 -1.7038 -1.7038 1.7767 1.7767 2.1813 2.1813 4.6782 4.6782 5.1796 5.1796 5.2493 5.2493 5.8939 5.8939 6.2171 6.2171 6.3430 6.3430 6.6623 6.6623 6.8069 6.8069 6.9261 6.9261 7.0886 7.0886 7.2786 7.2786 7.3100 7.3100 7.3964 7.3964 8.0305 8.0305 8.6814 8.6814 9.0763 9.0763 9.4021 9.4021 9.8789 9.8789 10.7790 10.7790 11.1173 11.1173 11.5427 11.5427 11.8579 11.8579 k = 0.0860 0.3542-0.0000 ( 5305 PWs) bands (ev): -31.8969 -31.8969 -31.8953 -31.8953 -13.1965 -13.1965 -13.1825 -13.1825 -12.8450 -12.8450 -12.8274 -12.8274 -12.7813 -12.7813 -12.7770 -12.7770 -2.5539 -2.5539 -1.6905 -1.6905 1.7701 1.7701 2.1071 2.1071 4.6967 4.6967 5.1983 5.1983 5.3009 5.3009 5.8700 5.8700 6.1919 6.1919 6.3258 6.3258 6.6429 6.6429 6.8048 6.8048 6.9283 6.9283 7.0900 7.0900 7.2592 7.2592 7.3042 7.3042 7.3627 7.3627 8.0287 8.0287 8.7041 8.7041 9.1249 9.1249 9.3994 9.3994 9.7952 9.7952 10.7107 10.7107 11.0376 11.0376 11.5981 11.5981 11.9542 11.9542 k = 0.0927 0.3814-0.0000 ( 5301 PWs) bands (ev): -31.8968 -31.8968 -31.8952 -31.8952 -13.1968 -13.1968 -13.1830 -13.1830 -12.8454 -12.8454 -12.8283 -12.8283 -12.7817 -12.7817 -12.7773 -12.7773 -2.5183 -2.5183 -1.6763 -1.6763 1.7398 1.7398 2.0556 2.0556 4.7166 4.7166 5.2176 5.2176 5.3534 5.3534 5.8371 5.8371 6.1632 6.1632 6.3169 6.3169 6.6227 6.6227 6.8023 6.8023 6.9301 6.9301 7.0916 7.0916 7.2255 7.2255 7.2899 7.2899 7.3576 7.3576 8.0258 8.0258 8.7288 8.7288 9.1713 9.1713 9.3963 9.3963 9.7055 9.7055 10.6448 10.6448 10.9572 10.9572 11.6584 11.6584 12.0583 12.0583 k = 0.0993 0.4087-0.0000 ( 5289 PWs) bands (ev): -31.8967 -31.8967 -31.8951 -31.8951 -13.1971 -13.1971 -13.1836 -13.1836 -12.8459 -12.8459 -12.8292 -12.8292 -12.7821 -12.7821 -12.7776 -12.7776 -2.4804 -2.4804 -1.6613 -1.6613 1.6792 1.6792 2.0336 2.0336 4.7378 4.7378 5.2378 5.2378 5.4063 5.4063 5.7942 5.7942 6.1363 6.1363 6.3130 6.3130 6.6016 6.6016 6.7994 6.7994 6.9315 6.9315 7.0932 7.0932 7.1928 7.1928 7.2577 7.2577 7.3750 7.3750 8.0217 8.0217 8.7554 8.7554 9.2148 9.2148 9.3933 9.3933 9.6120 9.6120 10.5821 10.5821 10.8765 10.8765 11.7211 11.7211 12.1689 12.1689 k = 0.1059 0.4359-0.0000 ( 5281 PWs) bands (ev): -31.8966 -31.8966 -31.8950 -31.8950 -13.1974 -13.1974 -13.1842 -13.1842 -12.8464 -12.8464 -12.8301 -12.8301 -12.7825 -12.7825 -12.7778 -12.7778 -2.4401 -2.4401 -1.6454 -1.6454 1.5948 1.5948 2.0353 2.0353 4.7602 4.7602 5.2591 5.2591 5.4593 5.4593 5.7416 5.7416 6.1136 6.1136 6.3118 6.3118 6.5797 6.5797 6.7961 6.7961 6.9325 6.9325 7.0944 7.0944 7.1616 7.1616 7.2246 7.2246 7.3975 7.3975 8.0163 8.0163 8.7841 8.7841 9.2540 9.2540 9.3913 9.3913 9.5173 9.5173 10.5233 10.5233 10.7955 10.7955 11.7828 11.7828 12.2533 12.2533 k = 0.1125 0.4631-0.0000 ( 5285 PWs) bands (ev): -31.8966 -31.8966 -31.8949 -31.8949 -13.1977 -13.1977 -13.1848 -13.1848 -12.8470 -12.8470 -12.8311 -12.8311 -12.7830 -12.7830 -12.7781 -12.7781 -2.3976 -2.3976 -1.6287 -1.6287 1.4964 1.4964 2.0508 2.0508 4.7839 4.7839 5.2813 5.2813 5.5121 5.5121 5.6812 5.6812 6.0951 6.0951 6.3119 6.3119 6.5570 6.5570 6.7923 6.7923 6.9327 6.9327 7.0943 7.0943 7.1313 7.1313 7.1955 7.1955 7.4211 7.4211 8.0094 8.0094 8.8147 8.8147 9.2854 9.2854 9.3862 9.3862 9.4308 9.4308 10.4687 10.4687 10.7146 10.7146 11.8384 11.8384 12.2166 12.2166 k = 0.1191 0.4904-0.0000 ( 5289 PWs) bands (ev): -31.8965 -31.8965 -31.8949 -31.8949 -13.1981 -13.1981 -13.1855 -13.1855 -12.8475 -12.8475 -12.8321 -12.8321 -12.7833 -12.7833 -12.7783 -12.7783 -2.3530 -2.3530 -1.6112 -1.6112 1.3905 1.3905 2.0741 2.0741 4.8087 4.8087 5.3045 5.3045 5.5646 5.5646 5.6152 5.6152 6.0800 6.0800 6.3128 6.3128 6.5334 6.5334 6.7880 6.7880 6.9321 6.9321 7.0890 7.0890 7.1039 7.1039 7.1732 7.1732 7.4446 7.4446 8.0009 8.0009 8.8474 8.8474 9.3026 9.3026 9.3189 9.3189 9.4201 9.4201 10.4186 10.4186 10.6337 10.6337 11.8783 11.8783 12.1892 12.1892 k = 0.1258 0.5176-0.0000 ( 5289 PWs) bands (ev): -31.8964 -31.8964 -31.8948 -31.8948 -13.1984 -13.1984 -13.1862 -13.1862 -12.8481 -12.8481 -12.8331 -12.8331 -12.7837 -12.7837 -12.7786 -12.7786 -2.3064 -2.3064 -1.5928 -1.5928 1.2802 1.2802 2.1020 2.1020 4.8347 4.8347 5.3285 5.3285 5.5448 5.5448 5.6175 5.6175 6.0671 6.0671 6.3141 6.3141 6.5092 6.5092 6.7831 6.7831 6.9300 6.9300 7.0653 7.0653 7.0918 7.0918 7.1593 7.1593 7.4673 7.4673 7.9909 7.9909 8.8820 8.8820 9.2250 9.2250 9.3112 9.3112 9.4458 9.4458 10.3731 10.3731 10.5530 10.5530 11.8878 11.8878 12.1879 12.1879 k = 0.1324 0.5449-0.0000 ( 5287 PWs) bands (ev): -31.8963 -31.8963 -31.8947 -31.8947 -13.1988 -13.1988 -13.1868 -13.1868 -12.8487 -12.8487 -12.8342 -12.8342 -12.7841 -12.7841 -12.7788 -12.7788 -2.2580 -2.2580 -1.5735 -1.5735 1.1676 1.1676 2.1327 2.1327 4.8619 4.8619 5.3534 5.3534 5.4732 5.4732 5.6694 5.6694 6.0553 6.0553 6.3155 6.3155 6.4842 6.4842 6.7777 6.7777 6.9258 6.9258 7.0364 7.0364 7.0827 7.0827 7.1536 7.1536 7.4884 7.4884 7.9792 7.9792 8.9187 8.9187 9.1360 9.1360 9.3088 9.3088 9.4809 9.4809 10.3322 10.3322 10.4726 10.4726 11.8616 11.8616 12.2183 12.2183 k = 0.1390 0.5721-0.0000 ( 5285 PWs) bands (ev): -31.8962 -31.8962 -31.8946 -31.8946 -13.1991 -13.1991 -13.1875 -13.1875 -12.8493 -12.8493 -12.8352 -12.8352 -12.7844 -12.7844 -12.7790 -12.7790 -2.2080 -2.2080 -1.5533 -1.5533 1.0534 1.0534 2.1655 2.1655 4.8901 4.8901 5.3773 5.3773 5.4025 5.4025 5.7208 5.7208 6.0440 6.0440 6.3168 6.3168 6.4585 6.4585 6.7716 6.7716 6.9182 6.9182 7.0100 7.0100 7.0725 7.0725 7.1538 7.1538 7.5070 7.5070 7.9658 7.9658 8.9570 8.9570 9.0519 9.0519 9.3030 9.3030 9.5202 9.5202 10.2956 10.2956 10.3926 10.3926 11.8115 11.8115 12.2399 12.2399 k = 0.1456 0.5994-0.0000 ( 5281 PWs) bands (ev): -31.8961 -31.8961 -31.8945 -31.8945 -13.1995 -13.1995 -13.1882 -13.1882 -12.8498 -12.8498 -12.8363 -12.8363 -12.7846 -12.7846 -12.7791 -12.7791 -2.1566 -2.1566 -1.5319 -1.5319 0.9385 0.9385 2.1995 2.1995 4.9194 4.9194 5.3269 5.3269 5.4072 5.4072 5.7716 5.7716 6.0324 6.0324 6.3179 6.3179 6.4321 6.4321 6.7647 6.7647 6.9054 6.9054 6.9888 6.9888 7.0624 7.0624 7.1576 7.1576 7.5223 7.5223 7.9506 7.9506 8.9695 8.9695 9.0020 9.0020 9.2961 9.2961 9.5618 9.5618 10.2629 10.2629 10.3134 10.3134 11.7491 11.7491 12.2145 12.2145 k = 0.1522 0.6266-0.0000 ( 5275 PWs) bands (ev): -31.8961 -31.8961 -31.8944 -31.8944 -13.1998 -13.1998 -13.1888 -13.1888 -12.8504 -12.8504 -12.8373 -12.8373 -12.7849 -12.7849 -12.7793 -12.7793 -2.1043 -2.1043 -1.5092 -1.5092 0.8233 0.8233 2.2344 2.2344 4.9497 4.9497 5.2560 5.2560 5.4342 5.4342 5.8217 5.8217 6.0203 6.0203 6.3186 6.3186 6.4052 6.4052 6.7572 6.7572 6.8870 6.8870 6.9739 6.9739 7.0534 7.0534 7.1637 7.1637 7.5332 7.5332 7.9337 7.9337 8.9016 8.9016 9.0424 9.0424 9.2894 9.2894 9.6048 9.6048 10.2271 10.2271 10.2416 10.2416 11.6807 11.6807 12.1814 12.1814 k = 0.1589 0.6538-0.0000 ( 5273 PWs) bands (ev): -31.8960 -31.8960 -31.8944 -31.8944 -13.2001 -13.2001 -13.1895 -13.1895 -12.8510 -12.8510 -12.8383 -12.8383 -12.7851 -12.7851 -12.7794 -12.7794 -2.0514 -2.0514 -1.4848 -1.4848 0.7082 0.7082 2.2697 2.2697 4.9809 4.9809 5.1866 5.1866 5.4622 5.4622 5.8707 5.8707 6.0074 6.0074 6.3188 6.3188 6.3777 6.3777 6.7486 6.7486 6.8649 6.8649 6.9638 6.9638 7.0457 7.0457 7.1714 7.1714 7.5387 7.5387 7.9152 7.9152 8.8411 8.8411 9.0869 9.0869 9.2839 9.2839 9.6488 9.6488 10.1535 10.1535 10.2120 10.2120 11.6094 11.6094 12.1441 12.1441 k = 0.1655 0.6811-0.0000 ( 5273 PWs) bands (ev): -31.8959 -31.8959 -31.8943 -31.8943 -13.2005 -13.2005 -13.1901 -13.1901 -12.8516 -12.8516 -12.8393 -12.8393 -12.7853 -12.7853 -12.7795 -12.7795 -1.9984 -1.9984 -1.4585 -1.4585 0.5935 0.5935 2.3051 2.3051 5.0131 5.0131 5.1193 5.1193 5.4908 5.4908 5.9178 5.9178 5.9944 5.9944 6.3182 6.3182 6.3498 6.3498 6.7390 6.7390 6.8417 6.8417 6.9563 6.9563 7.0396 7.0396 7.1801 7.1801 7.5380 7.5380 7.8952 7.8952 8.7913 8.7913 9.1334 9.1334 9.2805 9.2805 9.6936 9.6936 10.0759 10.0759 10.1906 10.1906 11.5367 11.5367 12.1041 12.1041 k = 0.1721 0.7083-0.0000 ( 5259 PWs) bands (ev): -31.8958 -31.8958 -31.8942 -31.8942 -13.2008 -13.2008 -13.1908 -13.1908 -12.8521 -12.8521 -12.8402 -12.8402 -12.7854 -12.7854 -12.7796 -12.7796 -1.9461 -1.9461 -1.4295 -1.4295 0.4793 0.4793 2.3402 2.3402 5.0458 5.0458 5.0552 5.0552 5.5199 5.5199 5.9549 5.9549 5.9886 5.9886 6.3141 6.3141 6.3243 6.3243 6.7282 6.7282 6.8196 6.8196 6.9498 6.9498 7.0348 7.0348 7.1899 7.1899 7.5304 7.5304 7.8738 7.8738 8.7534 8.7534 9.1810 9.1810 9.2802 9.2802 9.7390 9.7390 9.9988 9.9988 10.1730 10.1730 11.4636 11.4636 12.0626 12.0626 k = 0.1787 0.7356-0.0000 ( 5263 PWs) bands (ev): -31.8957 -31.8957 -31.8942 -31.8942 -13.2011 -13.2011 -13.1914 -13.1914 -12.8526 -12.8526 -12.8412 -12.8412 -12.7856 -12.7856 -12.7797 -12.7797 -1.8953 -1.8953 -1.3972 -1.3972 0.3660 0.3660 2.3748 2.3748 4.9931 4.9931 5.0803 5.0803 5.5496 5.5496 5.9518 5.9518 6.0200 6.0200 6.2903 6.2903 6.3173 6.3173 6.7159 6.7159 6.7996 6.7996 6.9436 6.9436 7.0312 7.0312 7.2004 7.2004 7.5159 7.5159 7.8512 7.8512 8.7282 8.7282 9.2272 9.2272 9.2860 9.2860 9.7842 9.7842 9.9224 9.9224 10.1593 10.1593 11.3908 11.3908 12.0204 12.0204 k = 0.1853 0.7628-0.0000 ( 5271 PWs) bands (ev): -31.8957 -31.8957 -31.8941 -31.8941 -13.2013 -13.2013 -13.1920 -13.1920 -12.8531 -12.8531 -12.8421 -12.8421 -12.7858 -12.7858 -12.7798 -12.7798 -1.8470 -1.8470 -1.3609 -1.3609 0.2536 0.2536 2.4086 2.4086 4.9350 4.9350 5.1152 5.1152 5.5796 5.5796 5.9341 5.9341 6.0623 6.0623 6.2619 6.2619 6.3141 6.3141 6.7026 6.7026 6.7824 6.7824 6.9372 6.9372 7.0285 7.0285 7.2115 7.2115 7.4951 7.4951 7.8275 7.8275 8.7154 8.7154 9.2607 9.2607 9.3095 9.3095 9.8281 9.8281 9.8471 9.8471 10.1501 10.1501 11.3186 11.3186 11.9783 11.9783 k = 0.1919 0.7901-0.0000 ( 5275 PWs) bands (ev): -31.8956 -31.8956 -31.8940 -31.8940 -13.2016 -13.2016 -13.1925 -13.1925 -12.8535 -12.8535 -12.8429 -12.8429 -12.7859 -12.7859 -12.7799 -12.7799 -1.8020 -1.8020 -1.3197 -1.3197 0.1423 0.1423 2.4412 2.4412 4.8804 4.8804 5.1508 5.1508 5.6099 5.6099 5.9131 5.9131 6.1030 6.1030 6.2342 6.2342 6.3101 6.3101 6.6888 6.6888 6.7681 6.7681 6.9301 6.9301 7.0265 7.0265 7.2231 7.2231 7.4691 7.4691 7.8030 7.8030 8.7147 8.7147 9.2762 9.2762 9.3561 9.3561 9.7722 9.7722 9.8700 9.8700 10.1467 10.1467 11.2473 11.2473 11.9371 11.9371 k = 0.1986 0.8173-0.0000 ( 5279 PWs) bands (ev): -31.8956 -31.8956 -31.8940 -31.8940 -13.2019 -13.2019 -13.1930 -13.1930 -12.8539 -12.8539 -12.8436 -12.8436 -12.7860 -12.7860 -12.7799 -12.7799 -1.7612 -1.7612 -1.2729 -1.2729 0.0323 0.0323 2.4724 2.4724 4.8295 4.8295 5.1872 5.1872 5.6404 5.6404 5.8900 5.8900 6.1362 6.1362 6.2120 6.2120 6.3049 6.3049 6.6755 6.6755 6.7563 6.7563 6.9220 6.9220 7.0250 7.0250 7.2352 7.2352 7.4399 7.4399 7.7780 7.7780 8.7248 8.7248 9.2883 9.2883 9.4115 9.4115 9.6989 9.6989 9.9061 9.9061 10.1518 10.1518 11.1772 11.1772 11.8971 11.8971 k = 0.2052 0.8446-0.0000 ( 5291 PWs) bands (ev): -31.8955 -31.8955 -31.8939 -31.8939 -13.2021 -13.2021 -13.1935 -13.1935 -12.8543 -12.8543 -12.8443 -12.8443 -12.7861 -12.7861 -12.7800 -12.7800 -1.7253 -1.7253 -1.2200 -1.2200 -0.0763 -0.0763 2.5019 2.5019 4.7826 4.7826 5.2243 5.2243 5.6711 5.6711 5.8648 5.8648 6.1428 6.1428 6.2139 6.2139 6.2983 6.2983 6.6638 6.6638 6.7466 6.7466 6.9123 6.9123 7.0237 7.0237 7.2475 7.2475 7.4094 7.4094 7.7528 7.7528 8.7444 8.7444 9.3020 9.3020 9.4707 9.4707 9.6269 9.6269 9.9333 9.9333 10.1684 10.1684 11.1085 11.1085 11.8588 11.8588 k = 0.2118 0.8718-0.0000 ( 5281 PWs) bands (ev): -31.8955 -31.8955 -31.8939 -31.8939 -13.2022 -13.2022 -13.1939 -13.1939 -12.8546 -12.8546 -12.8449 -12.8449 -12.7861 -12.7861 -12.7801 -12.7801 -1.6945 -1.6945 -1.1609 -1.1609 -0.1835 -0.1835 2.5295 2.5295 4.7397 4.7397 5.2621 5.2621 5.7017 5.7017 5.8380 5.8380 6.1213 6.1213 6.2410 6.2410 6.2901 6.2901 6.6548 6.6548 6.7389 6.7389 6.9008 6.9008 7.0227 7.0227 7.2599 7.2599 7.3799 7.3799 7.7276 7.7276 8.7721 8.7721 9.3184 9.3184 9.5317 9.5317 9.5572 9.5572 9.9497 9.9497 10.1986 10.1986 11.0413 11.0413 11.8226 11.8226 k = 0.2184 0.8990-0.0000 ( 5279 PWs) bands (ev): -31.8954 -31.8954 -31.8939 -31.8939 -13.2024 -13.2024 -13.1942 -13.1942 -12.8548 -12.8548 -12.8454 -12.8454 -12.7862 -12.7862 -12.7801 -12.7801 -1.6688 -1.6688 -1.0957 -1.0957 -0.2890 -0.2890 2.5548 2.5548 4.7008 4.7008 5.3004 5.3004 5.7315 5.7315 5.8103 5.8103 6.0922 6.0922 6.2719 6.2719 6.2804 6.2804 6.6490 6.6490 6.7331 6.7331 6.8868 6.8868 7.0217 7.0217 7.2723 7.2723 7.3533 7.3533 7.7026 7.7026 8.8065 8.8065 9.3378 9.3378 9.4863 9.4863 9.5978 9.5978 9.9560 9.9560 10.2412 10.2412 10.9756 10.9756 11.7885 11.7885 k = 0.2250 0.9263-0.0000 ( 5289 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1945 -13.1945 -12.8550 -12.8550 -12.8458 -12.8458 -12.7862 -12.7862 -12.7801 -12.7801 -1.6478 -1.6478 -1.0248 -1.0248 -0.3929 -0.3929 2.5777 2.5777 4.6660 4.6660 5.3392 5.3392 5.7555 5.7555 5.7869 5.7869 6.0608 6.0608 6.2676 6.2676 6.3017 6.3017 6.6469 6.6469 6.7295 6.7295 6.8702 6.8702 7.0209 7.0209 7.2839 7.2839 7.3317 7.3317 7.6781 7.6781 8.8463 8.8463 9.3602 9.3602 9.4189 9.4189 9.6646 9.6646 9.9550 9.9550 10.2933 10.2933 10.9116 10.9116 11.7567 11.7567 k = 0.2317 0.9535-0.0000 ( 5289 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1948 -13.1948 -12.8552 -12.8552 -12.8462 -12.8462 -12.7862 -12.7862 -12.7802 -12.7802 -1.6311 -1.6311 -0.9488 -0.9488 -0.4950 -0.4950 2.5979 2.5979 4.6351 4.6351 5.3784 5.3784 5.7413 5.7413 5.8003 5.8003 6.0286 6.0286 6.2533 6.2533 6.3274 6.3274 6.6482 6.6482 6.7291 6.7291 6.8511 6.8511 7.0205 7.0205 7.2924 7.2924 7.3182 7.3182 7.6543 7.6543 8.8904 8.8904 9.3519 9.3519 9.3869 9.3869 9.7337 9.7337 9.9491 9.9491 10.3525 10.3525 10.8494 10.8494 11.7275 11.7275 k = 0.2383 0.9808-0.0000 ( 5281 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1950 -13.1950 -12.8552 -12.8552 -12.8465 -12.8465 -12.7862 -12.7862 -12.7802 -12.7802 -1.6184 -1.6184 -0.8682 -0.8682 -0.5953 -0.5953 2.6154 2.6154 4.6081 4.6081 5.4178 5.4178 5.7105 5.7105 5.8291 5.8291 5.9958 5.9958 6.2365 6.2365 6.3491 6.3491 6.6515 6.6515 6.7331 6.7331 6.8304 6.8304 7.0205 7.0205 7.2918 7.2918 7.3193 7.3193 7.6315 7.6315 8.9377 8.9377 9.2880 9.2880 9.4152 9.4152 9.8049 9.8049 9.9403 9.9403 10.4168 10.4168 10.7891 10.7891 11.7007 11.7007 k = 0.2449 1.0080-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1951 -13.1951 -12.8552 -12.8552 -12.8466 -12.8466 -12.7862 -12.7862 -12.7803 -12.7803 -1.6091 -1.6091 -0.7835 -0.7835 -0.6938 -0.6938 2.6300 2.6300 4.5848 4.5848 5.4572 5.4572 5.6779 5.6779 5.8590 5.8590 5.9626 5.9626 6.2172 6.2172 6.3668 6.3668 6.6548 6.6548 6.7417 6.7417 6.8105 6.8105 7.0210 7.0210 7.2876 7.2876 7.3287 7.3287 7.6101 7.6101 8.9873 8.9873 9.2256 9.2256 9.4469 9.4469 9.8769 9.8769 9.9304 9.9304 10.4852 10.4852 10.7308 10.7308 11.6765 11.6765 k = 0.2515 1.0353-0.0000 ( 5279 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1951 -13.1951 -12.8551 -12.8551 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6029 -1.6029 -0.7902 -0.7902 -0.6951 -0.6951 2.6416 2.6416 4.5649 4.5649 5.4965 5.4965 5.6448 5.6448 5.8889 5.8889 5.9293 5.9293 6.1954 6.1954 6.3812 6.3812 6.6568 6.6568 6.7489 6.7489 6.7992 6.7992 7.0222 7.0222 7.2862 7.2862 7.3398 7.3398 7.5903 7.5903 9.0380 9.0380 9.1657 9.1657 9.4815 9.4815 9.9108 9.9108 9.9593 9.9593 10.5567 10.5567 10.6748 10.6748 11.6551 11.6551 k = 0.2581 1.0625-0.0000 ( 5283 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8550 -12.8550 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.5995 -1.5995 -0.8846 -0.8846 -0.6033 -0.6033 2.6501 2.6501 4.5479 4.5479 5.5353 5.5353 5.6121 5.6121 5.8958 5.8958 5.9185 5.9185 6.1712 6.1712 6.3931 6.3931 6.6571 6.6571 6.7400 6.7400 6.8108 6.8108 7.0238 7.0238 7.2884 7.2884 7.3508 7.3508 7.5727 7.5727 9.0820 9.0820 9.1151 9.1151 9.5186 9.5186 9.8982 9.8982 10.0355 10.0355 10.6118 10.6118 10.6405 10.6405 11.6362 11.6362 k = 0.2648 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2023 -13.2023 -13.1951 -13.1951 -12.8548 -12.8548 -12.8467 -12.8467 -12.7861 -12.7861 -12.7804 -12.7804 -1.5987 -1.5987 -0.9770 -0.9770 -0.5086 -0.5086 2.6555 2.6555 4.5336 4.5336 5.5725 5.5725 5.5816 5.5816 5.8623 5.8623 5.9472 5.9472 6.1449 6.1449 6.4033 6.4033 6.6564 6.6564 6.7209 6.7209 6.8386 6.8386 7.0261 7.0261 7.2942 7.2942 7.3612 7.3612 7.5578 7.5578 9.0459 9.0459 9.1465 9.1465 9.5578 9.5578 9.8828 9.8828 10.1157 10.1157 10.5654 10.5654 10.7127 10.7127 11.6199 11.6199 k = 0.2648 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2023 -13.2023 -13.1951 -13.1951 -12.8548 -12.8548 -12.8467 -12.8467 -12.7861 -12.7861 -12.7804 -12.7804 -1.5987 -1.5987 -0.9770 -0.9770 -0.5086 -0.5086 2.6555 2.6555 4.5336 4.5336 5.5725 5.5725 5.5816 5.5816 5.8623 5.8623 5.9472 5.9472 6.1449 6.1449 6.4033 6.4033 6.6564 6.6564 6.7209 6.7209 6.8386 6.8386 7.0261 7.0261 7.2942 7.2942 7.3612 7.3612 7.5578 7.5578 9.0459 9.0459 9.1465 9.1465 9.5578 9.5578 9.8828 9.8828 10.1157 10.1157 10.5654 10.5654 10.7127 10.7127 11.6199 11.6199 k = 0.2383 1.0897-0.0000 ( 5289 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2024 -13.2024 -13.1951 -13.1951 -12.8549 -12.8549 -12.8467 -12.8467 -12.7861 -12.7861 -12.7803 -12.7803 -1.5988 -1.5988 -0.9562 -0.9562 -0.5302 -0.5302 2.6543 2.6543 4.5378 4.5378 5.5457 5.5457 5.6057 5.6057 5.8692 5.8692 5.9416 5.9416 6.1513 6.1513 6.4010 6.4010 6.6568 6.6568 6.7253 6.7253 6.8318 6.8318 7.0254 7.0254 7.2902 7.2902 7.3587 7.3587 7.5666 7.5666 9.0578 9.0578 9.1141 9.1141 9.5698 9.5698 9.8878 9.8878 10.0964 10.0964 10.5758 10.5758 10.6941 10.6941 11.6203 11.6203 k = 0.2118 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2024 -13.2024 -13.1951 -13.1951 -12.8550 -12.8550 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.5992 -1.5992 -0.9346 -0.9346 -0.5520 -0.5520 2.6523 2.6523 4.5442 4.5442 5.5155 5.5155 5.6311 5.6311 5.8749 5.8749 5.9374 5.9374 6.1584 6.1584 6.3986 6.3986 6.6577 6.6577 6.7289 6.7289 6.8255 6.8255 7.0247 7.0247 7.2827 7.2827 7.3555 7.3555 7.5862 7.5862 9.0381 9.0381 9.0815 9.0815 9.6121 9.6121 9.8960 9.8960 10.0756 10.0756 10.5840 10.5840 10.6739 10.6739 11.6153 11.6153 k = 0.1853 1.0897-0.0000 ( 5285 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1951 -13.1951 -12.8550 -12.8550 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.5999 -1.5999 -0.9124 -0.9124 -0.5741 -0.5741 2.6499 2.6499 4.5524 4.5524 5.4857 5.4857 5.6542 5.6542 5.8789 5.8789 5.9349 5.9349 6.1659 6.1659 6.3962 6.3962 6.6588 6.6588 6.7315 6.7315 6.8203 6.8203 7.0239 7.0239 7.2731 7.2731 7.3520 7.3520 7.6146 7.6146 8.9576 8.9576 9.0946 9.0946 9.6666 9.6666 9.9085 9.9085 10.0547 10.0547 10.5887 10.5887 10.6536 10.6536 11.6062 11.6062 k = 0.1589 1.0897-0.0000 ( 5288 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8550 -12.8550 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6007 -1.6007 -0.8897 -0.8897 -0.5965 -0.5965 2.6473 2.6473 4.5618 4.5618 5.4572 5.4572 5.6746 5.6746 5.8814 5.8814 5.9340 5.9340 6.1733 6.1733 6.3940 6.3940 6.6603 6.6603 6.7328 6.7328 6.8163 6.8163 7.0230 7.0230 7.2629 7.2629 7.3484 7.3484 7.6499 7.6499 8.8689 8.8689 9.1111 9.1111 9.7201 9.7201 9.9270 9.9270 10.0358 10.0358 10.5859 10.5859 10.6369 10.6369 11.5948 11.5948 k = 0.1324 1.0897-0.0000 ( 5291 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8551 -12.8551 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6016 -1.6016 -0.8667 -0.8667 -0.6190 -0.6190 2.6446 2.6446 4.5718 4.5718 5.4308 5.4308 5.6921 5.6921 5.8824 5.8824 5.9345 5.9345 6.1803 6.1803 6.3921 6.3921 6.6618 6.6618 6.7327 6.7327 6.8138 6.8138 7.0220 7.0220 7.2532 7.2532 7.3448 7.3448 7.6898 7.6898 8.7805 8.7805 9.1275 9.1275 9.7636 9.7636 9.9500 9.9500 10.0249 10.0249 10.5706 10.5706 10.6289 10.6289 11.5829 11.5829 k = 0.1059 1.0897-0.0000 ( 5289 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8551 -12.8551 -12.8468 -12.8468 -12.7862 -12.7862 -12.7803 -12.7803 -1.6023 -1.6023 -0.8435 -0.8435 -0.6416 -0.6416 2.6422 2.6422 4.5815 4.5815 5.4074 5.4074 5.7065 5.7065 5.8824 5.8824 5.9359 5.9359 6.1866 6.1866 6.3905 6.3905 6.6635 6.6635 6.7316 6.7316 6.8125 6.8125 7.0211 7.0211 7.2447 7.2447 7.3417 7.3417 7.7320 7.7320 8.6972 8.6972 9.1428 9.1428 9.7934 9.7934 9.9613 9.9613 10.0389 10.0389 10.5451 10.5451 10.6276 10.6276 11.5718 11.5718 k = 0.0794 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8551 -12.8551 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6030 -1.6030 -0.8207 -0.8207 -0.6639 -0.6639 2.6401 2.6401 4.5902 4.5902 5.3880 5.3880 5.7177 5.7177 5.8819 5.8819 5.9376 5.9376 6.1919 6.1919 6.3894 6.3894 6.6650 6.6650 6.7298 6.7298 6.8121 6.8121 7.0202 7.0202 7.2378 7.2378 7.3390 7.3390 7.7732 7.7732 8.6231 8.6231 9.1559 9.1559 9.8116 9.8116 9.9554 9.9554 10.0791 10.0791 10.5151 10.5151 10.6282 10.6282 11.5622 11.5622 k = 0.0530 1.0897-0.0000 ( 5285 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8551 -12.8551 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6035 -1.6035 -0.7988 -0.7988 -0.6854 -0.6854 2.6384 2.6384 4.5971 4.5971 5.3734 5.3734 5.7257 5.7257 5.8814 5.8814 5.9390 5.9390 6.1958 6.1958 6.3886 6.3886 6.6662 6.6662 6.7280 6.7280 6.8122 6.8122 7.0196 7.0196 7.2327 7.2327 7.3370 7.3370 7.8092 7.8092 8.5633 8.5633 9.1660 9.1660 9.8221 9.8221 9.9463 9.9463 10.1241 10.1241 10.4850 10.4850 10.6291 10.6291 11.5550 11.5550 k = 0.0265 1.0897-0.0000 ( 5288 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2025 -13.2025 -13.1952 -13.1952 -12.8551 -12.8551 -12.8468 -12.8468 -12.7862 -12.7862 -12.7803 -12.7803 -1.6039 -1.6039 -0.7800 -0.7800 -0.7039 -0.7039 2.6374 2.6374 4.6016 4.6016 5.3643 5.3643 5.7305 5.7305 5.8809 5.8809 5.9400 5.9400 6.1983 6.1983 6.3882 6.3882 6.6671 6.6671 6.7267 6.7267 6.8124 6.8124 7.0191 7.0191 7.2296 7.2296 7.3358 7.3358 7.8345 7.8345 8.5235 8.5235 9.1724 9.1724 9.8275 9.8275 9.9397 9.9397 10.1595 10.1595 10.4606 10.4606 10.6297 10.6297 11.5505 11.5505 k = 0.0000 1.0897-0.0000 ( 5286 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1952 -13.1952 -12.8552 -12.8552 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6040 -1.6040 -0.7712 -0.7712 -0.7126 -0.7126 2.6371 2.6371 4.6031 4.6031 5.3612 5.3612 5.7321 5.7321 5.8807 5.8807 5.9404 5.9404 6.1991 6.1991 6.3880 6.3880 6.6674 6.6674 6.7262 6.7262 6.8125 6.8125 7.0190 7.0190 7.2286 7.2286 7.3354 7.3354 7.8437 7.8437 8.5095 8.5095 9.1746 9.1746 9.8292 9.8292 9.9373 9.9373 10.1733 10.1733 10.4508 10.4508 10.6299 10.6299 11.5490 11.5490 k = 0.0000 1.0897-0.0000 ( 5286 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1952 -13.1952 -12.8552 -12.8552 -12.8467 -12.8467 -12.7862 -12.7862 -12.7803 -12.7803 -1.6040 -1.6040 -0.7712 -0.7712 -0.7126 -0.7126 2.6371 2.6371 4.6031 4.6031 5.3612 5.3612 5.7321 5.7321 5.8807 5.8807 5.9404 5.9404 6.1991 6.1991 6.3880 6.3880 6.6674 6.6674 6.7262 6.7262 6.8125 6.8125 7.0190 7.0190 7.2286 7.2286 7.3354 7.3354 7.8437 7.8437 8.5095 8.5095 9.1746 9.1746 9.8292 9.8292 9.9373 9.9373 10.1733 10.1733 10.4508 10.4508 10.6299 10.6299 11.5490 11.5490 k = 0.0000 1.0897 0.0283 ( 5286 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2026 -13.2026 -13.1952 -13.1952 -12.8551 -12.8551 -12.8467 -12.8467 -12.7863 -12.7863 -12.7804 -12.7804 -1.6027 -1.6027 -0.7700 -0.7700 -0.7115 -0.7115 2.6359 2.6359 4.6044 4.6044 5.3625 5.3625 5.7324 5.7324 5.8765 5.8765 5.9322 5.9322 6.2028 6.2028 6.3885 6.3885 6.6592 6.6592 6.7301 6.7301 6.8125 6.8125 7.0190 7.0190 7.2282 7.2282 7.3315 7.3315 7.8429 7.8429 8.5082 8.5082 9.1643 9.1643 9.8137 9.8137 9.9373 9.9373 10.1660 10.1660 10.4826 10.4826 10.6405 10.6405 11.5580 11.5580 k = 0.0000 1.0897 0.0566 ( 5284 PWs) bands (ev): -31.8953 -31.8953 -31.8938 -31.8938 -13.2026 -13.2026 -13.1952 -13.1952 -12.8551 -12.8551 -12.8467 -12.8467 -12.7865 -12.7865 -12.7806 -12.7806 -1.5988 -1.5988 -0.7665 -0.7665 -0.7080 -0.7080 2.6322 2.6322 4.6085 4.6085 5.3664 5.3664 5.7330 5.7330 5.8638 5.8638 5.9093 5.9093 6.2125 6.2125 6.3899 6.3899 6.6380 6.6380 6.7383 6.7383 6.8126 6.8126 7.0193 7.0193 7.2269 7.2269 7.3205 7.3205 7.8404 7.8404 8.5042 8.5042 9.1347 9.1347 9.7593 9.7593 9.9570 9.9570 10.1463 10.1463 10.5632 10.5632 10.6715 10.6715 11.5843 11.5843 k = 0.0000 1.0897 0.0849 ( 5280 PWs) bands (ev): -31.8953 -31.8953 -31.8938 -31.8938 -13.2026 -13.2026 -13.1953 -13.1953 -12.8550 -12.8550 -12.8466 -12.8466 -12.7869 -12.7869 -12.7810 -12.7810 -1.5924 -1.5924 -0.7607 -0.7607 -0.7022 -0.7022 2.6260 2.6260 4.6152 4.6152 5.3729 5.3729 5.7336 5.7336 5.8425 5.8425 5.8748 5.8748 6.2254 6.2254 6.3922 6.3922 6.6077 6.6077 6.7470 6.7470 6.8128 6.8128 7.0196 7.0196 7.2239 7.2239 7.3051 7.3051 7.8360 7.8360 8.4976 8.4976 9.0890 9.0890 9.6766 9.6766 10.0032 10.0032 10.1172 10.1172 10.6697 10.6697 10.7206 10.7206 11.6267 11.6267 k = 0.0000 1.0897 0.1132 ( 5272 PWs) bands (ev): -31.8953 -31.8953 -31.8937 -31.8937 -13.2027 -13.2027 -13.1953 -13.1953 -12.8548 -12.8548 -12.8465 -12.8465 -12.7873 -12.7873 -12.7815 -12.7815 -1.5833 -1.5833 -0.7526 -0.7526 -0.6940 -0.6940 2.6172 2.6172 4.6246 4.6246 5.3820 5.3820 5.7324 5.7324 5.8120 5.8120 5.8337 5.8337 6.2390 6.2390 6.3954 6.3954 6.5695 6.5695 6.7552 6.7552 6.8133 6.8133 7.0201 7.0201 7.2181 7.2181 7.2888 7.2888 7.8294 7.8294 8.4881 8.4881 9.0314 9.0314 9.5827 9.5827 10.0471 10.0471 10.1017 10.1017 10.7811 10.7811 10.7906 10.7906 11.6834 11.6834 k = 0.0000 1.0897 0.1415 ( 5270 PWs) bands (ev): -31.8952 -31.8952 -31.8937 -31.8937 -13.2027 -13.2027 -13.1955 -13.1955 -12.8546 -12.8546 -12.8464 -12.8464 -12.7880 -12.7880 -12.7822 -12.7822 -1.5717 -1.5717 -0.7421 -0.7421 -0.6836 -0.6836 2.6057 2.6057 4.6365 4.6365 5.3935 5.3935 5.7233 5.7233 5.7717 5.7717 5.7947 5.7947 6.2519 6.2519 6.3991 6.3991 6.5246 6.5246 6.7624 6.7624 6.8140 6.8140 7.0206 7.0206 7.2077 7.2077 7.2757 7.2757 7.8205 7.8205 8.4756 8.4756 8.9661 8.9661 9.4863 9.4863 10.0123 10.0123 10.1723 10.1723 10.8550 10.8550 10.9114 10.9114 11.7504 11.7504 k = 0.0000 1.0897 0.1697 ( 5274 PWs) bands (ev): -31.8951 -31.8951 -31.8936 -31.8936 -13.2028 -13.2028 -13.1956 -13.1956 -12.8544 -12.8544 -12.8462 -12.8462 -12.7888 -12.7888 -12.7830 -12.7830 -1.5575 -1.5575 -0.7294 -0.7294 -0.6709 -0.6709 2.5913 2.5913 4.6511 4.6511 5.4076 5.4076 5.6879 5.6879 5.7269 5.7269 5.7715 5.7715 6.2628 6.2628 6.4025 6.4025 6.4749 6.4749 6.7688 6.7688 6.8150 6.8150 7.0211 7.0211 7.1926 7.1926 7.2678 7.2678 7.8093 7.8093 8.4600 8.4600 8.8965 8.8965 9.3912 9.3912 9.9557 9.9557 10.2694 10.2694 10.9322 10.9322 11.0328 11.0328 11.8126 11.8126 k = 0.0000 1.0897 0.1980 ( 5282 PWs) bands (ev): -31.8951 -31.8951 -31.8936 -31.8936 -13.2029 -13.2029 -13.1958 -13.1958 -12.8542 -12.8542 -12.8461 -12.8461 -12.7897 -12.7897 -12.7840 -12.7840 -1.5408 -1.5408 -0.7144 -0.7144 -0.6560 -0.6560 2.5739 2.5739 4.6681 4.6681 5.4239 5.4239 5.6280 5.6280 5.6758 5.6758 5.7653 5.7653 6.2710 6.2710 6.3969 6.3969 6.4310 6.4310 6.7745 6.7745 6.8164 6.8164 7.0216 7.0216 7.1752 7.1752 7.2642 7.2642 7.7959 7.7959 8.4408 8.4408 8.8255 8.8255 9.2994 9.2994 9.8918 9.8918 10.3762 10.3762 11.0105 11.0105 11.1493 11.1493 11.8781 11.8781 k = 0.0000 1.0897 0.2263 ( 5292 PWs) bands (ev): -31.8950 -31.8950 -31.8935 -31.8935 -13.2031 -13.2031 -13.1960 -13.1960 -12.8539 -12.8539 -12.8459 -12.8459 -12.7907 -12.7907 -12.7851 -12.7851 -1.5215 -1.5215 -0.6972 -0.6972 -0.6388 -0.6388 2.5532 2.5532 4.6875 4.6875 5.4418 5.4418 5.5582 5.5582 5.6165 5.6165 5.7639 5.7639 6.2750 6.2750 6.3549 6.3549 6.4240 6.4240 6.7796 6.7796 6.8181 6.8181 7.0221 7.0221 7.1577 7.1577 7.2631 7.2631 7.7806 7.7806 8.4177 8.4177 8.7552 8.7552 9.2117 9.2117 9.8231 9.8231 10.4876 10.4876 11.0867 11.0867 11.2587 11.2587 11.9570 11.9570 k = 0.0000 1.0897 0.2546 ( 5292 PWs) bands (ev): -31.8949 -31.8949 -31.8934 -31.8934 -13.2032 -13.2032 -13.1962 -13.1962 -12.8536 -12.8536 -12.8457 -12.8457 -12.7919 -12.7919 -12.7863 -12.7863 -1.4996 -1.4996 -0.6777 -0.6777 -0.6195 -0.6195 2.5291 2.5291 4.7091 4.7091 5.4532 5.4532 5.4906 5.4906 5.5503 5.5503 5.7621 5.7621 6.2663 6.2663 6.3123 6.3123 6.4295 6.4295 6.7842 6.7842 6.8202 6.8202 7.0225 7.0225 7.1415 7.1415 7.2635 7.2635 7.7636 7.7636 8.3904 8.3904 8.6874 8.6874 9.1285 9.1285 9.7508 9.7508 10.5993 10.5993 11.1587 11.1587 11.3606 11.3606 12.0487 12.0488 k = 0.0000 1.0897 0.2829 ( 5294 PWs) bands (ev): -31.8948 -31.8948 -31.8934 -31.8934 -13.2033 -13.2033 -13.1965 -13.1965 -12.8532 -12.8532 -12.8454 -12.8454 -12.7931 -12.7931 -12.7877 -12.7877 -1.4751 -1.4751 -0.6561 -0.6561 -0.5979 -0.5979 2.5014 2.5014 4.7328 4.7328 5.3916 5.3916 5.4742 5.4742 5.4967 5.4967 5.7574 5.7574 6.2291 6.2291 6.2984 6.2984 6.4369 6.4369 6.7883 6.7883 6.8226 6.8226 7.0228 7.0228 7.1269 7.1269 7.2647 7.2647 7.7452 7.7452 8.3587 8.3587 8.6232 8.6232 9.0497 9.0497 9.6761 9.6761 10.7072 10.7072 11.2248 11.2248 11.4562 11.4562 12.1497 12.1497 k = 0.0000 1.0897 0.3112 ( 5294 PWs) bands (ev): -31.8947 -31.8947 -31.8933 -31.8933 -13.2035 -13.2035 -13.1968 -13.1968 -12.8528 -12.8528 -12.8452 -12.8452 -12.7944 -12.7944 -12.7891 -12.7891 -1.4481 -1.4481 -0.6324 -0.6324 -0.5743 -0.5743 2.4698 2.4698 4.7581 4.7581 5.3059 5.3059 5.3982 5.3982 5.5192 5.5192 5.7476 5.7476 6.1857 6.1857 6.2951 6.2951 6.4452 6.4452 6.7920 6.7920 6.8252 6.8252 7.0230 7.0230 7.1140 7.1140 7.2666 7.2666 7.7258 7.7258 8.3223 8.3223 8.5633 8.5633 8.9753 8.9753 9.5995 9.5995 10.8075 10.8075 11.2842 11.2842 11.5481 11.5481 12.2534 12.2535 k = 0.0000 1.0897 0.3395 ( 5292 PWs) bands (ev): -31.8946 -31.8946 -31.8932 -31.8932 -13.2037 -13.2037 -13.1971 -13.1971 -12.8524 -12.8524 -12.8449 -12.8449 -12.7958 -12.7958 -12.7906 -12.7906 -1.4186 -1.4186 -0.6066 -0.6066 -0.5487 -0.5487 2.4341 2.4341 4.7844 4.7844 5.2150 5.2150 5.3160 5.3160 5.5470 5.5470 5.7311 5.7311 6.1502 6.1502 6.2919 6.2919 6.4542 6.4542 6.7953 6.7953 6.8280 6.8280 7.0231 7.0231 7.1026 7.1026 7.2688 7.2688 7.7056 7.7056 8.2818 8.2818 8.5076 8.5076 8.9049 8.9049 9.5217 9.5217 10.8972 10.8972 11.3366 11.3366 11.6386 11.6386 12.3516 12.3517 k = 0.0000 1.0897 0.3678 ( 5298 PWs) bands (ev): -31.8945 -31.8945 -31.8931 -31.8931 -13.2039 -13.2039 -13.1974 -13.1974 -12.8520 -12.8520 -12.8446 -12.8446 -12.7973 -12.7973 -12.7922 -12.7922 -1.3865 -1.3865 -0.5788 -0.5788 -0.5210 -0.5210 2.3942 2.3942 4.8105 4.8105 5.1204 5.1204 5.2312 5.2312 5.5772 5.5772 5.7074 5.7074 6.1259 6.1259 6.2873 6.2873 6.4637 6.4637 6.7984 6.7984 6.8309 6.8309 7.0230 7.0230 7.0926 7.0926 7.2713 7.2713 7.6851 7.6851 8.2379 8.2379 8.4555 8.4555 8.8381 8.8381 9.4430 9.4430 10.9742 10.9742 11.3820 11.3820 11.7285 11.7285 12.4345 12.4352 k = 0.0000 1.0897 0.3961 ( 5296 PWs) bands (ev): -31.8943 -31.8943 -31.8930 -31.8930 -13.2041 -13.2041 -13.1978 -13.1978 -12.8516 -12.8516 -12.8443 -12.8443 -12.7989 -12.7989 -12.7939 -12.7939 -1.3519 -1.3519 -0.5490 -0.5490 -0.4914 -0.4914 2.3499 2.3499 4.8335 4.8335 5.0228 5.0228 5.1473 5.1473 5.6086 5.6086 5.6783 5.6783 6.1135 6.1135 6.2810 6.2810 6.4735 6.4735 6.8013 6.8013 6.8339 6.8339 7.0227 7.0227 7.0838 7.0838 7.2740 7.2740 7.6645 7.6645 8.1918 8.1918 8.4061 8.4061 8.7742 8.7742 9.3637 9.3637 11.0381 11.0381 11.4213 11.4213 11.8170 11.8170 12.4963 12.4978 k = 0.0000 1.0897 0.4244 ( 5288 PWs) bands (ev): -31.8942 -31.8942 -31.8929 -31.8929 -13.2043 -13.2043 -13.1981 -13.1981 -12.8511 -12.8511 -12.8440 -12.8440 -12.8004 -12.8004 -12.7956 -12.7956 -1.3148 -1.3148 -0.5173 -0.5173 -0.4600 -0.4600 2.3010 2.3010 4.8449 4.8449 4.9228 4.9228 5.0731 5.0731 5.6283 5.6283 5.6590 5.6590 6.1114 6.1114 6.2729 6.2729 6.4836 6.4836 6.8040 6.8040 6.8370 6.8370 7.0222 7.0222 7.0759 7.0759 7.2769 7.2769 7.6441 7.6441 8.1447 8.1447 8.3582 8.3582 8.7130 8.7130 9.2841 9.2841 11.0894 11.0894 11.4553 11.4553 11.9024 11.9024 12.5492 12.5497 k = 0.0000 1.0897 0.4527 ( 5288 PWs) bands (ev): -31.8940 -31.8940 -31.8928 -31.8928 -13.2045 -13.2045 -13.1985 -13.1985 -12.8506 -12.8506 -12.8437 -12.8437 -12.8021 -12.8021 -12.7973 -12.7973 -1.2751 -1.2751 -0.4839 -0.4839 -0.4269 -0.4269 2.2476 2.2476 4.8189 4.8189 4.8267 4.8267 5.0292 5.0292 5.6017 5.6017 5.6867 5.6867 6.1176 6.1176 6.2633 6.2633 6.4938 6.4938 6.8066 6.8066 6.8400 6.8400 7.0215 7.0215 7.0689 7.0689 7.2800 7.2800 7.6240 7.6240 8.0974 8.0974 8.3108 8.3108 8.6539 8.6539 9.2044 9.2044 11.1294 11.1294 11.4850 11.4850 11.9824 11.9824 12.5990 12.5992 k = 0.0000 1.0897 0.4809 ( 5286 PWs) bands (ev): -31.8939 -31.8939 -31.8927 -31.8927 -13.2047 -13.2047 -13.1989 -13.1989 -12.8501 -12.8501 -12.8433 -12.8433 -12.8037 -12.8037 -12.7991 -12.7991 -1.2330 -1.2330 -0.4487 -0.4487 -0.3921 -0.3921 2.1897 2.1897 4.7171 4.7171 4.7620 4.7620 5.0272 5.0272 5.5687 5.5687 5.7241 5.7241 6.1301 6.1301 6.2523 6.2523 6.5041 6.5041 6.8092 6.8092 6.8430 6.8430 7.0206 7.0206 7.0625 7.0625 7.2831 7.2831 7.6045 7.6045 8.0508 8.0508 8.2633 8.2633 8.5964 8.5964 9.1247 9.1247 11.1597 11.1597 11.5117 11.5117 12.0558 12.0558 12.6453 12.6453 k = 0.0000 1.0897 0.5092 ( 5278 PWs) bands (ev): -31.8937 -31.8937 -31.8926 -31.8926 -13.2050 -13.2050 -13.1994 -13.1994 -12.8496 -12.8496 -12.8430 -12.8430 -12.8054 -12.8054 -12.8009 -12.8009 -1.1884 -1.1884 -0.4119 -0.4119 -0.3557 -0.3557 2.1272 2.1272 4.6130 4.6130 4.6744 4.6744 5.0484 5.0484 5.5388 5.5388 5.7637 5.7637 6.1470 6.1470 6.2407 6.2407 6.5142 6.5142 6.8117 6.8117 6.8460 6.8460 7.0194 7.0194 7.0568 7.0568 7.2864 7.2864 7.5858 7.5858 8.0054 8.0054 8.2153 8.2153 8.5400 8.5400 9.0451 9.0451 11.1819 11.1819 11.5363 11.5363 12.1223 12.1223 12.6825 12.6825 k = 0.0000 1.0897 0.5375 ( 5280 PWs) bands (ev): -31.8936 -31.8936 -31.8925 -31.8925 -13.2052 -13.2052 -13.1998 -13.1998 -12.8491 -12.8491 -12.8427 -12.8427 -12.8071 -12.8071 -12.8028 -12.8028 -1.1412 -1.1412 -0.3737 -0.3737 -0.3180 -0.3180 2.0604 2.0604 4.5084 4.5084 4.5774 4.5774 5.0776 5.0776 5.5147 5.5147 5.8045 5.8045 6.1661 6.1661 6.2299 6.2299 6.5240 6.5240 6.8141 6.8141 6.8489 6.8489 7.0180 7.0180 7.0514 7.0514 7.2896 7.2896 7.5680 7.5680 7.9613 7.9613 8.1664 8.1664 8.4845 8.4845 8.9656 8.9656 11.1973 11.1973 11.5599 11.5599 12.1829 12.1829 12.6932 12.6932 k = 0.0000 1.0897 0.5658 ( 5280 PWs) bands (ev): -31.8934 -31.8934 -31.8924 -31.8924 -13.2055 -13.2055 -13.2003 -13.2003 -12.8486 -12.8486 -12.8424 -12.8424 -12.8087 -12.8087 -12.8046 -12.8046 -1.0917 -1.0917 -0.3341 -0.3341 -0.2790 -0.2790 1.9895 1.9895 4.4040 4.4040 4.4766 4.4766 5.1088 5.1088 5.4983 5.4983 5.8456 5.8456 6.1819 6.1819 6.2254 6.2254 6.5335 6.5335 6.8165 6.8165 6.8518 6.8518 7.0164 7.0164 7.0464 7.0464 7.2928 7.2928 7.5512 7.5512 7.9188 7.9188 8.1167 8.1167 8.4294 8.4294 8.8863 8.8863 11.2073 11.2073 11.5831 11.5831 12.2387 12.2387 12.6613 12.6613 k = 0.0000 1.0897 0.5941 ( 5274 PWs) bands (ev): -31.8933 -31.8933 -31.8923 -31.8923 -13.2057 -13.2057 -13.2008 -13.2008 -12.8480 -12.8480 -12.8421 -12.8421 -12.8103 -12.8103 -12.8064 -12.8064 -1.0397 -1.0397 -0.2933 -0.2933 -0.2389 -0.2389 1.9146 1.9146 4.3002 4.3002 4.3744 4.3744 5.1386 5.1386 5.4913 5.4913 5.8858 5.8858 6.1838 6.1838 6.2384 6.2384 6.5425 6.5425 6.8189 6.8189 6.8547 6.8547 7.0147 7.0147 7.0418 7.0418 7.2959 7.2959 7.5356 7.5356 7.8778 7.8778 8.0662 8.0662 8.3746 8.3746 8.8074 8.8074 11.2130 11.2130 11.6064 11.6064 12.2914 12.2914 12.6037 12.6037 k = 0.0000 1.0897 0.6224 ( 5276 PWs) bands (ev): -31.8931 -31.8931 -31.8922 -31.8922 -13.2060 -13.2060 -13.2012 -13.2012 -12.8475 -12.8475 -12.8418 -12.8418 -12.8119 -12.8119 -12.8081 -12.8081 -0.9853 -0.9853 -0.2515 -0.2515 -0.1979 -0.1979 1.8361 1.8361 4.1975 4.1975 4.2721 4.2721 5.1651 5.1651 5.4953 5.4953 5.9229 5.9229 6.1782 6.1782 6.2642 6.2642 6.5507 6.5507 6.8213 6.8213 6.8575 6.8575 7.0128 7.0128 7.0373 7.0373 7.2988 7.2988 7.5213 7.5213 7.8383 7.8383 8.0152 8.0152 8.3196 8.3196 8.7288 8.7288 11.2155 11.2155 11.6299 11.6299 12.3419 12.3419 12.5379 12.5379 k = 0.0000 1.0897 0.6507 ( 5270 PWs) bands (ev): -31.8930 -31.8930 -31.8921 -31.8921 -13.2062 -13.2062 -13.2017 -13.2017 -12.8470 -12.8470 -12.8415 -12.8415 -12.8135 -12.8135 -12.8099 -12.8099 -0.9284 -0.9284 -0.2089 -0.2089 -0.1562 -0.1562 1.7544 1.7544 4.0965 4.0965 4.1704 4.1704 5.1872 5.1872 5.5108 5.5108 5.9532 5.9532 6.1765 6.1765 6.2949 6.2949 6.5582 6.5582 6.8236 6.8236 6.8603 6.8603 7.0107 7.0107 7.0331 7.0331 7.3016 7.3016 7.5084 7.5084 7.8000 7.8000 7.9640 7.9640 8.2646 8.2646 8.6507 8.6507 11.2157 11.2157 11.6533 11.6533 12.3911 12.3911 12.4714 12.4714 k = 0.0000 1.0897 0.6790 ( 5264 PWs) bands (ev): -31.8928 -31.8928 -31.8920 -31.8920 -13.2065 -13.2065 -13.2022 -13.2022 -12.8465 -12.8465 -12.8412 -12.8412 -12.8150 -12.8150 -12.8115 -12.8115 -0.8693 -0.8693 -0.1657 -0.1657 -0.1142 -0.1142 1.6697 1.6697 3.9976 3.9976 4.0703 4.0703 5.2050 5.2050 5.5373 5.5373 5.9715 5.9715 6.1856 6.1856 6.3283 6.3283 6.5646 6.5646 6.8259 6.8259 6.8631 6.8631 7.0086 7.0086 7.0290 7.0290 7.3039 7.3039 7.4971 7.4971 7.7627 7.7627 7.9131 7.9131 8.2092 8.2092 8.5733 8.5733 11.2143 11.2143 11.6759 11.6759 12.4075 12.4075 12.4398 12.4398 k = 0.0000 1.0897 0.7073 ( 5262 PWs) bands (ev): -31.8927 -31.8927 -31.8919 -31.8919 -13.2067 -13.2067 -13.2027 -13.2027 -12.8460 -12.8460 -12.8410 -12.8410 -12.8164 -12.8164 -12.8131 -12.8131 -0.8077 -0.8077 -0.1221 -0.1221 -0.0719 -0.0719 1.5824 1.5824 3.9013 3.9013 3.9722 3.9722 5.2199 5.2199 5.5731 5.5731 5.9747 5.9747 6.2090 6.2090 6.3637 6.3637 6.5700 6.5700 6.8282 6.8282 6.8659 6.8659 7.0064 7.0064 7.0250 7.0250 7.3057 7.3057 7.4876 7.4876 7.7257 7.7257 7.8631 7.8631 8.1535 8.1535 8.4967 8.4967 11.2123 11.2123 11.6960 11.6960 12.3508 12.3508 12.4870 12.4870 k = 0.0000 1.0897 0.7356 ( 5262 PWs) bands (ev): -31.8925 -31.8925 -31.8918 -31.8918 -13.2070 -13.2070 -13.2032 -13.2032 -12.8456 -12.8456 -12.8408 -12.8408 -12.8178 -12.8178 -12.8147 -12.8147 -0.7439 -0.7439 -0.0785 -0.0785 -0.0298 -0.0298 1.4930 1.4930 3.8082 3.8082 3.8767 3.8767 5.2334 5.2334 5.6161 5.6161 5.9649 5.9649 6.2448 6.2448 6.4007 6.4007 6.5741 6.5741 6.8303 6.8303 6.8685 6.8685 7.0041 7.0041 7.0211 7.0211 7.3067 7.3067 7.4801 7.4801 7.6882 7.6882 7.8152 7.8152 8.0976 8.0976 8.4211 8.4211 11.2101 11.2101 11.7116 11.7116 12.3034 12.3034 12.5335 12.5335 k = 0.0000 1.0897 0.7639 ( 5264 PWs) bands (ev): -31.8924 -31.8924 -31.8917 -31.8917 -13.2072 -13.2072 -13.2037 -13.2037 -12.8451 -12.8451 -12.8406 -12.8406 -12.8190 -12.8190 -12.8161 -12.8161 -0.6777 -0.6777 -0.0351 -0.0351 0.0118 0.0118 1.4017 1.4017 3.7187 3.7187 3.7845 3.7845 5.2470 5.2470 5.6645 5.6645 5.9463 5.9463 6.2885 6.2885 6.4391 6.4391 6.5771 6.5771 6.8322 6.8322 6.8712 6.8712 7.0018 7.0018 7.0174 7.0174 7.3066 7.3066 7.4748 7.4748 7.6492 7.6492 7.7706 7.7706 8.0415 8.0415 8.3467 8.3467 11.2084 11.2084 11.7196 11.7196 12.2691 12.2691 12.5787 12.5787 k = 0.0000 1.0897 0.7921 ( 5256 PWs) bands (ev): -31.8923 -31.8923 -31.8916 -31.8916 -13.2074 -13.2074 -13.2041 -13.2041 -12.8447 -12.8447 -12.8405 -12.8405 -12.8202 -12.8202 -12.8175 -12.8175 -0.6094 -0.6094 0.0077 0.0077 0.0526 0.0526 1.3089 1.3089 3.6335 3.6335 3.6961 3.6961 5.2616 5.2616 5.7165 5.7165 5.9223 5.9223 6.3365 6.3365 6.4786 6.4786 6.5791 6.5791 6.8341 6.8341 6.8738 6.8738 6.9993 6.9993 7.0141 7.0141 7.3051 7.3051 7.4718 7.4718 7.6076 7.6076 7.7304 7.7304 7.9856 7.9856 8.2739 8.2739 11.2078 11.2078 11.7174 11.7174 12.2511 12.2511 12.6220 12.6220 k = 0.0000 1.0897 0.8204 ( 5256 PWs) bands (ev): -31.8921 -31.8921 -31.8915 -31.8915 -13.2076 -13.2076 -13.2046 -13.2046 -12.8443 -12.8443 -12.8404 -12.8404 -12.8213 -12.8213 -12.8188 -12.8188 -0.5388 -0.5388 0.0495 0.0495 0.0920 0.0920 1.2151 1.2151 3.5530 3.5530 3.6120 3.6120 5.2779 5.2779 5.7704 5.7704 5.8955 5.8955 6.3858 6.3858 6.5186 6.5186 6.5814 6.5814 6.8358 6.8358 6.8764 6.8764 6.9966 6.9966 7.0114 7.0114 7.3018 7.3018 7.4712 7.4712 7.5633 7.5633 7.6955 7.6955 7.9302 7.9302 8.2029 8.2029 11.2086 11.2086 11.7036 11.7036 12.2507 12.2507 12.6627 12.6627 k = 0.0000 1.0897 0.8487 ( 5258 PWs) bands (ev): -31.8920 -31.8920 -31.8915 -31.8915 -13.2078 -13.2078 -13.2050 -13.2050 -12.8440 -12.8440 -12.8403 -12.8403 -12.8223 -12.8223 -12.8199 -12.8199 -0.4660 -0.4660 0.0898 0.0898 0.1297 0.1297 1.1204 1.1204 3.4780 3.4780 3.5329 3.5329 5.2963 5.2963 5.8208 5.8208 5.8715 5.8715 6.4328 6.4328 6.5559 6.5559 6.5886 6.5886 6.8372 6.8372 6.8790 6.8790 6.9934 6.9934 7.0095 7.0095 7.2963 7.2963 7.4721 7.4721 7.5173 7.5173 7.6658 7.6658 7.8757 7.8757 8.1341 8.1341 11.2112 11.2112 11.6791 11.6791 12.2670 12.2670 12.7000 12.7000 k = 0.0000 1.0897 0.8770 ( 5252 PWs) bands (ev): -31.8919 -31.8919 -31.8914 -31.8914 -13.2079 -13.2079 -13.2055 -13.2055 -12.8436 -12.8436 -12.8403 -12.8403 -12.8231 -12.8231 -12.8210 -12.8210 -0.3911 -0.3911 0.1283 0.1283 0.1652 0.1652 1.0253 1.0253 3.4089 3.4089 3.4593 3.4593 5.3167 5.3167 5.8228 5.8228 5.8951 5.8951 6.4710 6.4710 6.5805 6.5805 6.6161 6.6161 6.8385 6.8385 6.8817 6.8817 6.9897 6.9897 7.0089 7.0089 7.2882 7.2882 7.4582 7.4582 7.4870 7.4870 7.6407 7.6407 7.8229 7.8229 8.0677 8.0677 11.2159 11.2159 11.6467 11.6467 12.2971 12.2971 12.7328 12.7328 k = 0.0000 1.0897 0.9053 ( 5252 PWs) bands (ev): -31.8918 -31.8918 -31.8914 -31.8914 -13.2080 -13.2080 -13.2059 -13.2059 -12.8433 -12.8433 -12.8403 -12.8403 -12.8238 -12.8238 -12.8220 -12.8220 -0.3142 -0.3142 0.1644 0.1644 0.1979 0.1979 0.9299 0.9299 3.3464 3.3464 3.3919 3.3919 5.3394 5.3394 5.7925 5.7925 5.9501 5.9501 6.4906 6.4906 6.6062 6.6062 6.6585 6.6585 6.8393 6.8393 6.8846 6.8846 6.9855 6.9855 7.0097 7.0097 7.2769 7.2769 7.4118 7.4118 7.4908 7.4908 7.6198 7.6198 7.7727 7.7727 8.0043 8.0043 11.2230 11.2230 11.6093 11.6093 12.3376 12.3376 12.7599 12.7599 k = 0.0000 1.0897 0.9336 ( 5246 PWs) bands (ev): -31.8917 -31.8917 -31.8913 -31.8913 -13.2081 -13.2081 -13.2062 -13.2062 -12.8429 -12.8429 -12.8404 -12.8404 -12.8244 -12.8244 -12.8228 -12.8228 -0.2353 -0.2353 0.1975 0.1975 0.2272 0.2272 0.8346 0.8346 3.2912 3.2912 3.3312 3.3312 5.3641 5.3641 5.7588 5.7588 6.0075 6.0075 6.4904 6.4904 6.6432 6.6432 6.7053 6.7053 6.8398 6.8398 6.8879 6.8879 6.9809 6.9809 7.0123 7.0123 7.2614 7.2614 7.3619 7.3619 7.5006 7.5006 7.6026 7.6026 7.7263 7.7263 7.9440 7.9440 11.2327 11.2327 11.5696 11.5696 12.3855 12.3855 12.7800 12.7800 k = 0.0000 1.0897 0.9619 ( 5250 PWs) bands (ev): -31.8916 -31.8916 -31.8913 -31.8913 -13.2081 -13.2081 -13.2066 -13.2066 -12.8427 -12.8427 -12.8405 -12.8405 -12.8249 -12.8249 -12.8235 -12.8235 -0.1544 -0.1544 0.2273 0.2273 0.2528 0.2528 0.7396 0.7396 3.2438 3.2438 3.2780 3.2780 5.3907 5.3907 5.7239 5.7239 6.0647 6.0647 6.4777 6.4777 6.6842 6.6842 6.7546 6.7546 6.8397 6.8397 6.8920 6.8920 6.9761 6.9761 7.0170 7.0170 7.2406 7.2406 7.3125 7.3125 7.5128 7.5128 7.5891 7.5891 7.6852 7.6852 7.8873 7.8873 11.2452 11.2452 11.5294 11.5294 12.4381 12.4381 12.7917 12.7917 k = 0.0000 1.0897 0.9902 ( 5252 PWs) bands (ev): -31.8915 -31.8915 -31.8913 -31.8913 -13.2081 -13.2081 -13.2069 -13.2069 -12.8424 -12.8424 -12.8406 -12.8406 -12.8253 -12.8253 -12.8242 -12.8242 -0.0717 -0.0717 0.2530 0.2530 0.2740 0.2740 0.6451 0.6451 3.2049 3.2049 3.2328 3.2328 5.4192 5.4192 5.6884 5.6884 6.1207 6.1207 6.4571 6.4571 6.7234 6.7234 6.8056 6.8056 6.8389 6.8389 6.8973 6.8973 6.9711 6.9711 7.0244 7.0244 7.2131 7.2131 7.2655 7.2655 7.5259 7.5259 7.5799 7.5799 7.6515 7.6515 7.8345 7.8345 11.2606 11.2606 11.4898 11.4898 12.4934 12.4934 12.7939 12.7939 k = 0.0000 1.0897 1.0185 ( 5256 PWs) bands (ev): -31.8915 -31.8915 -31.8913 -31.8913 -13.2081 -13.2081 -13.2072 -13.2072 -12.8421 -12.8421 -12.8408 -12.8408 -12.8256 -12.8256 -12.8247 -12.8247 0.0127 0.0127 0.2742 0.2742 0.2903 0.2903 0.5513 0.5513 3.1748 3.1748 3.1961 3.1961 5.4493 5.4493 5.6528 5.6528 6.1749 6.1749 6.4305 6.4305 6.7576 6.7576 6.8370 6.8370 6.8559 6.8559 6.9048 6.9048 6.9669 6.9669 7.0354 7.0354 7.1781 7.1781 7.2224 7.2224 7.5370 7.5370 7.5749 7.5749 7.6288 7.6288 7.7857 7.7857 11.2790 11.2790 11.4519 11.4519 12.5491 12.5491 12.7857 12.7857 k = 0.0000 1.0897 1.0468 ( 5258 PWs) bands (ev): -31.8914 -31.8914 -31.8913 -31.8913 -13.2081 -13.2081 -13.2074 -13.2074 -12.8419 -12.8419 -12.8409 -12.8409 -12.8257 -12.8257 -12.8251 -12.8251 0.0989 0.0989 0.2906 0.2906 0.3015 0.3015 0.4585 0.4585 3.1541 3.1541 3.1684 3.1684 5.4809 5.4809 5.6173 5.6173 6.2266 6.2266 6.3986 6.3986 6.7852 6.7852 6.8336 6.8336 6.8977 6.8977 6.9168 6.9168 6.9675 6.9675 7.0498 7.0498 7.1378 7.1378 7.1833 7.1833 7.5436 7.5436 7.5696 7.5696 7.6247 7.6247 7.7414 7.7414 11.3004 11.3004 11.4161 11.4161 12.6035 12.6035 12.7669 12.7669 k = 0.0000 1.0897 1.0751 ( 5262 PWs) bands (ev): -31.8914 -31.8914 -31.8913 -31.8913 -13.2080 -13.2080 -13.2077 -13.2077 -12.8416 -12.8416 -12.8412 -12.8412 -12.8257 -12.8257 -12.8254 -12.8254 0.1866 0.1866 0.3015 0.3015 0.3073 0.3073 0.3668 0.3668 3.1430 3.1430 3.1502 3.1502 5.5137 5.5137 5.5821 5.5821 6.2754 6.2754 6.3619 6.3619 6.8055 6.8055 6.8281 6.8281 6.9165 6.9165 6.9292 6.9292 6.9890 6.9890 7.0583 7.0583 7.1058 7.1058 7.1473 7.1473 7.5478 7.5478 7.5610 7.5610 7.6404 7.6404 7.7019 7.7019 11.3249 11.3249 11.3829 11.3829 12.6544 12.6544 12.7379 12.7379 k = 0.0000 1.0897 1.1033 ( 5268 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2079 -13.2079 -12.8414 -12.8414 -12.8414 -12.8414 -12.8256 -12.8256 -12.8256 -12.8256 0.2755 0.2755 0.2755 0.2755 0.3078 0.3078 0.3078 0.3078 3.1417 3.1417 3.1417 3.1417 5.5475 5.5475 5.5475 5.5475 6.3206 6.3206 6.3206 6.3206 6.8192 6.8192 6.8192 6.8192 6.9261 6.9261 6.9261 6.9261 7.0293 7.0293 7.0293 7.0293 7.1165 7.1165 7.1165 7.1165 7.5531 7.5531 7.5531 7.5531 7.6677 7.6677 7.6677 7.6677 11.3524 11.3524 11.3524 11.3524 12.6998 12.6998 12.6998 12.6998 k = 0.0000 1.0897 1.1033 ( 5268 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2079 -13.2079 -12.8414 -12.8414 -12.8414 -12.8414 -12.8256 -12.8256 -12.8256 -12.8256 0.2755 0.2755 0.2755 0.2755 0.3078 0.3078 0.3078 0.3078 3.1417 3.1417 3.1417 3.1417 5.5475 5.5475 5.5475 5.5475 6.3206 6.3206 6.3206 6.3206 6.8192 6.8192 6.8192 6.8192 6.9261 6.9261 6.9261 6.9261 7.0293 7.0293 7.0293 7.0293 7.1165 7.1165 7.1165 7.1165 7.5531 7.5531 7.5531 7.5531 7.6677 7.6677 7.6677 7.6677 11.3524 11.3524 11.3524 11.3524 12.6998 12.6998 12.6998 12.6998 k = 0.0265 1.0897 1.1033 ( 5264 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2078 -13.2078 -12.8414 -12.8414 -12.8414 -12.8414 -12.8257 -12.8257 -12.8256 -12.8256 0.2750 0.2750 0.2753 0.2753 0.3077 0.3077 0.3082 0.3082 3.1416 3.1416 3.1419 3.1419 5.5476 5.5476 5.5480 5.5480 6.3196 6.3196 6.3213 6.3213 6.8122 6.8122 6.8261 6.8261 6.9200 6.9200 6.9323 6.9323 7.0277 7.0277 7.0315 7.0315 7.1154 7.1154 7.1181 7.1181 7.5508 7.5508 7.5546 7.5546 7.6665 7.6665 7.6692 7.6692 11.3510 11.3510 11.3515 11.3515 12.7030 12.7030 12.7031 12.7031 k = 0.0530 1.0897 1.1033 ( 5264 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2078 -13.2078 -12.8414 -12.8414 -12.8413 -12.8413 -12.8257 -12.8257 -12.8256 -12.8256 0.2740 0.2740 0.2747 0.2747 0.3080 0.3080 0.3088 0.3088 3.1417 3.1417 3.1424 3.1424 5.5485 5.5485 5.5492 5.5492 6.3181 6.3181 6.3216 6.3216 6.8050 6.8050 6.8327 6.8327 6.9140 6.9140 6.9383 6.9383 7.0266 7.0266 7.0342 7.0342 7.1146 7.1146 7.1201 7.1201 7.5477 7.5477 7.5552 7.5552 7.6657 7.6657 7.6709 7.6709 11.3474 11.3474 11.3485 11.3485 12.7124 12.7124 12.7127 12.7127 k = 0.0794 1.0897 1.1033 ( 5266 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8255 -12.8255 0.2725 0.2725 0.2734 0.2734 0.3085 0.3085 0.3097 0.3097 3.1421 3.1421 3.1431 3.1431 5.5499 5.5499 5.5509 5.5509 6.3162 6.3162 6.3214 6.3214 6.7978 6.7978 6.8389 6.8389 6.9082 6.9082 6.9441 6.9441 7.0261 7.0261 7.0374 7.0374 7.1142 7.1142 7.1224 7.1224 7.5437 7.5437 7.5550 7.5550 7.6653 7.6653 7.6728 7.6728 11.3421 11.3421 11.3436 11.3436 12.7275 12.7275 12.7278 12.7278 k = 0.1059 1.0897 1.1033 ( 5266 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8255 -12.8255 0.2706 0.2706 0.2717 0.2717 0.3093 0.3093 0.3108 0.3108 3.1427 3.1427 3.1441 3.1441 5.5518 5.5518 5.5532 5.5532 6.3141 6.3141 6.3210 6.3210 6.7906 6.7906 6.8443 6.8443 6.9031 6.9031 6.9496 6.9496 7.0261 7.0261 7.0412 7.0412 7.1139 7.1139 7.1250 7.1250 7.5391 7.5391 7.5542 7.5542 7.6653 7.6653 7.6750 7.6750 11.3354 11.3354 11.3373 11.3373 12.7475 12.7475 12.7476 12.7476 k = 0.1324 1.0897 1.1033 ( 5266 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8255 -12.8255 0.2683 0.2683 0.2696 0.2696 0.3102 0.3102 0.3119 0.3119 3.1436 3.1436 3.1453 3.1453 5.5541 5.5541 5.5558 5.5558 6.3118 6.3118 6.3204 6.3204 6.7834 6.7834 6.8488 6.8488 6.8986 6.8986 6.9545 6.9545 7.0268 7.0268 7.0454 7.0454 7.1138 7.1138 7.1278 7.1278 7.5340 7.5340 7.5528 7.5528 7.6657 7.6657 7.6774 7.6774 11.3281 11.3281 11.3302 11.3302 12.7707 12.7707 12.7710 12.7710 k = 0.1589 1.0897 1.1033 ( 5264 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2657 0.2657 0.2670 0.2670 0.3112 0.3112 0.3132 0.3132 3.1448 3.1448 3.1469 3.1469 5.5567 5.5567 5.5587 5.5587 6.3095 6.3095 6.3196 6.3196 6.7763 6.7763 6.8518 6.8518 6.8954 6.8954 6.9589 6.9589 7.0281 7.0281 7.0502 7.0502 7.1137 7.1137 7.1306 7.1306 7.5287 7.5287 7.5510 7.5510 7.6665 7.6665 7.6800 7.6800 11.3206 11.3206 11.3230 11.3230 12.7954 12.7954 12.7963 12.7963 k = 0.1853 1.0897 1.1033 ( 5262 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2628 0.2628 0.2642 0.2642 0.3123 0.3123 0.3144 0.3144 3.1465 3.1465 3.1489 3.1489 5.5594 5.5594 5.5616 5.5616 6.3073 6.3073 6.3190 6.3190 6.7691 6.7691 6.8529 6.8529 6.8935 6.8935 6.9627 6.9627 7.0299 7.0299 7.0554 7.0554 7.1136 7.1136 7.1333 7.1333 7.5235 7.5235 7.5488 7.5488 7.6677 7.6677 7.6829 7.6829 11.3137 11.3137 11.3162 11.3162 12.8195 12.8195 12.8213 12.8213 k = 0.2118 1.0897 1.1033 ( 5270 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2078 -13.2078 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2596 0.2596 0.2610 0.2610 0.3134 0.3134 0.3157 0.3157 3.1486 3.1486 3.1512 3.1512 5.5620 5.5620 5.5643 5.5643 6.3054 6.3054 6.3184 6.3184 6.7620 6.7620 6.8520 6.8520 6.8930 6.8930 6.9657 6.9657 7.0323 7.0323 7.0607 7.0607 7.1135 7.1135 7.1357 7.1357 7.5187 7.5187 7.5466 7.5466 7.6694 7.6694 7.6860 7.6860 11.3078 11.3078 11.3104 11.3104 12.8401 12.8401 12.8430 12.8430 k = 0.2383 1.0897 1.1033 ( 5276 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8415 -12.8415 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2562 0.2562 0.2576 0.2576 0.3146 0.3146 0.3169 0.3169 3.1512 3.1512 3.1541 3.1541 5.5643 5.5643 5.5667 5.5667 6.3038 6.3038 6.3182 6.3182 6.7549 6.7549 6.8494 6.8494 6.8935 6.8935 6.9680 6.9680 7.0352 7.0352 7.0659 7.0659 7.1136 7.1136 7.1380 7.1380 7.5148 7.5148 7.5444 7.5444 7.6713 7.6713 7.6893 7.6893 11.3035 11.3035 11.3060 11.3060 12.8536 12.8536 12.8576 12.8576 k = 0.2648 1.0897 1.1033 ( 5274 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8414 -12.8414 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2524 0.2524 0.2538 0.2538 0.3157 0.3157 0.3181 0.3181 3.1544 3.1544 3.1575 3.1575 5.5662 5.5662 5.5685 5.5685 6.3027 6.3027 6.3184 6.3184 6.7478 6.7478 6.8457 6.8457 6.8944 6.8944 6.9696 6.9696 7.0383 7.0383 7.0707 7.0707 7.1138 7.1138 7.1401 7.1401 7.5121 7.5121 7.5426 7.5426 7.6736 7.6736 7.6929 7.6929 11.3010 11.3010 11.3033 11.3033 12.8564 12.8564 12.8609 12.8609 k = 0.2648 1.0897 1.1033 ( 5274 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8414 -12.8414 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2524 0.2524 0.2538 0.2538 0.3157 0.3157 0.3181 0.3181 3.1544 3.1544 3.1575 3.1575 5.5662 5.5662 5.5685 5.5685 6.3027 6.3027 6.3184 6.3184 6.7478 6.7478 6.8457 6.8457 6.8944 6.8944 6.9696 6.9696 7.0383 7.0383 7.0707 7.0707 7.1138 7.1138 7.1401 7.1401 7.5121 7.5121 7.5426 7.5426 7.6736 7.6736 7.6929 7.6929 11.3010 11.3010 11.3033 11.3033 12.8564 12.8564 12.8609 12.8609 k = 0.2581 1.0625 1.1033 ( 5270 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2078 -13.2078 -12.8416 -12.8416 -12.8413 -12.8413 -12.8258 -12.8258 -12.8254 -12.8254 0.2675 0.2675 0.2688 0.2688 0.3103 0.3103 0.3122 0.3122 3.1431 3.1431 3.1452 3.1452 5.5586 5.5586 5.5611 5.5611 6.3070 6.3070 6.3172 6.3172 6.7787 6.7787 6.8516 6.8516 6.8981 6.8981 6.9602 6.9602 7.0270 7.0270 7.0492 7.0492 7.1130 7.1130 7.1352 7.1352 7.5224 7.5224 7.5510 7.5510 7.6657 7.6657 7.6794 7.6794 11.3082 11.3082 11.3113 11.3113 12.8706 12.8706 12.8746 12.8746 k = 0.2515 1.0353 1.1033 ( 5266 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2079 -13.2079 -12.8416 -12.8416 -12.8412 -12.8412 -12.8258 -12.8258 -12.8254 -12.8254 0.2755 0.2755 0.2755 0.2755 0.3075 0.3075 0.3078 0.3078 3.1405 3.1405 3.1417 3.1417 5.5497 5.5497 5.5523 5.5523 6.3125 6.3125 6.3174 6.3174 6.8071 6.8071 6.8338 6.8338 6.9123 6.9123 6.9392 6.9392 7.0238 7.0238 7.0330 7.0330 7.1146 7.1146 7.1361 7.1361 7.5350 7.5350 7.5617 7.5617 7.6638 7.6638 7.6719 7.6719 11.3155 11.3155 11.3193 11.3193 12.8818 12.8818 12.8853 12.8853 k = 0.2449 1.0080 1.1033 ( 5262 PWs) bands (ev): -31.8913 -31.8913 -31.8913 -31.8913 -13.2079 -13.2079 -13.2078 -13.2078 -12.8417 -12.8417 -12.8411 -12.8411 -12.8259 -12.8259 -12.8254 -12.8254 0.2695 0.2695 0.2709 0.2709 0.3103 0.3103 0.3119 0.3119 3.1467 3.1467 3.1470 3.1470 5.5395 5.5395 5.5423 5.5423 6.3191 6.3191 6.3194 6.3194 6.8046 6.8046 6.8322 6.8322 6.9062 6.9062 6.9232 6.9232 7.0266 7.0266 7.0296 7.0296 7.1184 7.1184 7.1395 7.1395 7.5500 7.5500 7.5750 7.5750 7.6678 7.6678 7.6704 7.6704 11.3220 11.3220 11.3267 11.3267 12.8899 12.8899 12.8930 12.8930 k = 0.2383 0.9808 1.1033 ( 5262 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8417 -12.8417 -12.8409 -12.8409 -12.8259 -12.8259 -12.8253 -12.8253 0.2548 0.2548 0.2566 0.2566 0.3170 0.3170 0.3193 0.3193 3.1610 3.1610 3.1616 3.1616 5.5280 5.5280 5.5310 5.5310 6.3222 6.3222 6.3279 6.3279 6.7693 6.7693 6.8493 6.8493 6.8707 6.8707 6.9287 6.9287 7.0269 7.0269 7.0408 7.0408 7.1250 7.1250 7.1443 7.1443 7.5669 7.5669 7.5908 7.5908 7.6748 7.6748 7.6778 7.6778 11.3268 11.3268 11.3324 11.3324 12.8951 12.8951 12.8978 12.8978 k = 0.2317 0.9535 1.1033 ( 5264 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2078 -13.2078 -13.2076 -13.2076 -12.8416 -12.8416 -12.8407 -12.8407 -12.8259 -12.8259 -12.8253 -12.8253 0.2352 0.2352 0.2369 0.2369 0.3237 0.3237 0.3263 0.3263 3.1834 3.1834 3.1850 3.1850 5.5152 5.5152 5.5185 5.5185 6.3265 6.3265 6.3379 6.3379 6.7305 6.7305 6.8190 6.8190 6.8762 6.8762 6.9308 6.9308 7.0305 7.0305 7.0524 7.0524 7.1351 7.1351 7.1499 7.1499 7.5855 7.5855 7.6090 7.6090 7.6854 7.6854 7.6940 7.6940 11.3292 11.3292 11.3356 11.3356 12.8983 12.8983 12.9006 12.9006 k = 0.2250 0.9263 1.1033 ( 5272 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2078 -13.2078 -13.2075 -13.2075 -12.8415 -12.8415 -12.8405 -12.8405 -12.8259 -12.8259 -12.8252 -12.8252 0.2119 0.2119 0.2134 0.2134 0.3290 0.3290 0.3318 0.3318 3.2141 3.2141 3.2166 3.2166 5.5011 5.5011 5.5046 5.5046 6.3315 6.3315 6.3493 6.3493 6.6898 6.6898 6.7762 6.7762 6.8906 6.8906 6.9311 6.9311 7.0359 7.0359 7.0613 7.0613 7.1488 7.1488 7.1564 7.1564 7.6053 7.6053 7.6287 7.6287 7.7027 7.7027 7.7162 7.7162 11.3282 11.3282 11.3356 11.3356 12.9008 12.9008 12.9026 12.9026 k = 0.2184 0.8990 1.1033 ( 5276 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2077 -13.2077 -13.2073 -13.2073 -12.8414 -12.8414 -12.8403 -12.8403 -12.8259 -12.8259 -12.8251 -12.8251 0.1855 0.1855 0.1867 0.1867 0.3327 0.3327 0.3356 0.3356 3.2527 3.2527 3.2561 3.2561 5.4856 5.4856 5.4895 5.4895 6.3367 6.3367 6.3616 6.3616 6.6488 6.6488 6.7342 6.7342 6.9027 6.9027 6.9306 6.9306 7.0420 7.0420 7.0671 7.0671 7.1637 7.1637 7.1651 7.1651 7.6261 7.6261 7.6493 7.6493 7.7271 7.7271 7.7444 7.7444 11.3233 11.3233 11.3317 11.3317 12.9044 12.9044 12.9056 12.9056 k = 0.2118 0.8718 1.1033 ( 5270 PWs) bands (ev): -31.8915 -31.8915 -31.8915 -31.8915 -13.2076 -13.2076 -13.2071 -13.2071 -12.8412 -12.8412 -12.8400 -12.8400 -12.8258 -12.8258 -12.8250 -12.8250 0.1562 0.1562 0.1572 0.1572 0.3349 0.3349 0.3379 0.3379 3.2987 3.2987 3.3030 3.3030 5.4690 5.4690 5.4731 5.4731 6.3410 6.3410 6.3742 6.3742 6.6088 6.6088 6.6949 6.6949 6.9125 6.9125 6.9297 6.9297 7.0483 7.0483 7.0705 7.0705 7.1719 7.1719 7.1829 7.1829 7.6481 7.6481 7.6704 7.6704 7.7584 7.7584 7.7782 7.7782 11.3140 11.3140 11.3235 11.3235 12.9105 12.9105 12.9111 12.9111 k = 0.2052 0.8446 1.1033 ( 5270 PWs) bands (ev): -31.8915 -31.8915 -31.8915 -31.8915 -13.2074 -13.2074 -13.2069 -13.2069 -12.8410 -12.8410 -12.8397 -12.8397 -12.8256 -12.8256 -12.8248 -12.8248 0.1245 0.1245 0.1253 0.1253 0.3357 0.3357 0.3387 0.3387 3.3516 3.3516 3.3569 3.3569 5.4510 5.4510 5.4555 5.4555 6.3433 6.3433 6.3858 6.3858 6.5715 6.5715 6.6598 6.6598 6.9203 6.9203 6.9285 6.9285 7.0542 7.0542 7.0722 7.0722 7.1812 7.1812 7.2013 7.2013 7.6713 7.6713 7.6923 7.6923 7.7957 7.7957 7.8167 7.8167 11.3002 11.3002 11.3106 11.3106 12.9204 12.9204 12.9204 12.9204 k = 0.1986 0.8173 1.1033 ( 5270 PWs) bands (ev): -31.8915 -31.8915 -31.8915 -31.8915 -13.2072 -13.2072 -13.2066 -13.2066 -12.8408 -12.8408 -12.8394 -12.8394 -12.8254 -12.8254 -12.8246 -12.8246 0.0907 0.0907 0.0913 0.0913 0.3351 0.3351 0.3381 0.3381 3.4109 3.4109 3.4172 3.4172 5.4319 5.4319 5.4368 5.4368 6.3421 6.3421 6.3934 6.3934 6.5401 6.5401 6.6307 6.6307 6.9266 6.9266 6.9271 6.9271 7.0594 7.0594 7.0727 7.0727 7.1920 7.1920 7.2201 7.2201 7.6961 7.6961 7.7154 7.7154 7.8380 7.8380 7.8594 7.8594 11.2817 11.2817 11.2931 11.2931 12.9339 12.9339 12.9346 12.9346 k = 0.1919 0.7901 1.1033 ( 5274 PWs) bands (ev): -31.8916 -31.8916 -31.8916 -31.8916 -13.2070 -13.2070 -13.2064 -13.2064 -12.8406 -12.8406 -12.8391 -12.8391 -12.8252 -12.8252 -12.8243 -12.8243 0.0551 0.0551 0.0555 0.0555 0.3333 0.3333 0.3363 0.3363 3.4761 3.4761 3.4834 3.4834 5.4117 5.4117 5.4170 5.4170 6.3356 6.3356 6.3921 6.3921 6.5197 6.5197 6.6091 6.6091 6.9255 6.9255 6.9317 6.9317 7.0638 7.0638 7.0724 7.0724 7.2043 7.2043 7.2394 7.2394 7.7226 7.7226 7.7402 7.7402 7.8843 7.8843 7.9056 7.9056 11.2588 11.2588 11.2713 11.2713 12.9516 12.9516 12.9531 12.9531 k = 0.1853 0.7628 1.1033 ( 5276 PWs) bands (ev): -31.8917 -31.8917 -31.8917 -31.8917 -13.2068 -13.2068 -13.2061 -13.2061 -12.8404 -12.8404 -12.8388 -12.8388 -12.8248 -12.8248 -12.8240 -12.8240 0.0182 0.0182 0.0183 0.0183 0.3304 0.3304 0.3334 0.3334 3.5467 3.5467 3.5549 3.5549 5.3904 5.3904 5.3961 5.3961 6.3232 6.3232 6.3778 6.3778 6.5143 6.5143 6.5957 6.5957 6.9237 6.9237 6.9358 6.9358 7.0673 7.0673 7.0715 7.0715 7.2186 7.2186 7.2593 7.2593 7.7510 7.7510 7.7669 7.7669 7.9337 7.9337 7.9547 7.9547 11.2320 11.2320 11.2454 11.2454 12.9728 12.9728 12.9751 12.9751 k = 0.1787 0.7356 1.1033 ( 5268 PWs) bands (ev): -31.8917 -31.8917 -31.8917 -31.8917 -13.2066 -13.2066 -13.2058 -13.2058 -12.8402 -12.8402 -12.8386 -12.8386 -12.8244 -12.8244 -12.8236 -12.8236 -0.0199 -0.0199 -0.0199 -0.0199 0.3265 0.3265 0.3294 0.3294 3.6220 3.6220 3.6312 3.6312 5.3682 5.3682 5.3743 5.3743 6.3051 6.3051 6.3531 6.3531 6.5212 6.5212 6.5901 6.5901 6.9218 6.9218 6.9392 6.9392 7.0697 7.0697 7.0702 7.0702 7.2351 7.2351 7.2803 7.2803 7.7816 7.7816 7.7957 7.7957 7.9858 7.9858 8.0063 8.0063 11.2017 11.2017 11.2160 11.2160 12.9961 12.9961 12.9994 12.9994 k = 0.1721 0.7083 1.1033 ( 5288 PWs) bands (ev): -31.8918 -31.8918 -31.8918 -31.8918 -13.2063 -13.2063 -13.2055 -13.2055 -12.8401 -12.8401 -12.8385 -12.8385 -12.8239 -12.8239 -12.8232 -12.8232 -0.0588 -0.0588 -0.0586 -0.0586 0.3217 0.3217 0.3246 0.3246 3.7015 3.7015 3.7118 3.7118 5.3452 5.3452 5.3518 5.3518 6.2824 6.2824 6.3236 6.3236 6.5347 6.5347 6.5907 6.5907 6.9196 6.9196 6.9419 6.9419 7.0684 7.0684 7.0712 7.0712 7.2539 7.2539 7.3025 7.3025 7.8144 7.8144 7.8268 7.8268 8.0400 8.0400 8.0598 8.0598 11.1685 11.1685 11.1837 11.1837 13.0189 13.0189 13.0237 13.0237 k = 0.1655 0.6811 1.1033 ( 5280 PWs) bands (ev): -31.8918 -31.8918 -31.8918 -31.8918 -13.2060 -13.2060 -13.2052 -13.2052 -12.8399 -12.8399 -12.8383 -12.8383 -12.8233 -12.8233 -12.8226 -12.8226 -0.0981 -0.0981 -0.0978 -0.0978 0.3162 0.3162 0.3190 0.3190 3.7846 3.7846 3.7961 3.7961 5.3217 5.3217 5.3287 5.3287 6.2570 6.2570 6.2927 6.2927 6.5512 6.5512 6.5958 6.5958 6.9174 6.9174 6.9441 6.9441 7.0663 7.0663 7.0718 7.0718 7.2753 7.2753 7.3262 7.3262 7.8495 7.8495 7.8603 7.8603 8.0959 8.0959 8.1152 8.1152 11.1330 11.1330 11.1490 11.1490 13.0365 13.0365 13.0443 13.0443 k = 0.1589 0.6538 1.1033 ( 5276 PWs) bands (ev): -31.8919 -31.8919 -31.8919 -31.8919 -13.2057 -13.2057 -13.2048 -13.2048 -12.8398 -12.8398 -12.8382 -12.8382 -12.8226 -12.8226 -12.8220 -12.8220 -0.1375 -0.1375 -0.1370 -0.1370 0.3100 0.3100 0.3128 0.3128 3.8708 3.8708 3.8834 3.8834 5.2977 5.2977 5.3053 5.3053 6.2302 6.2302 6.2621 6.2621 6.5688 6.5688 6.6036 6.6036 6.9150 6.9150 6.9458 6.9458 7.0640 7.0640 7.0716 7.0716 7.2993 7.2993 7.3516 7.3516 7.8869 7.8869 7.8962 7.8962 8.1533 8.1533 8.1721 8.1721 11.0958 11.0958 11.1126 11.1126 13.0409 13.0409 13.0535 13.0535 k = 0.1522 0.6266 1.1033 ( 5288 PWs) bands (ev): -31.8920 -31.8920 -31.8920 -31.8920 -13.2054 -13.2054 -13.2045 -13.2045 -12.8398 -12.8398 -12.8382 -12.8382 -12.8218 -12.8218 -12.8213 -12.8213 -0.1767 -0.1767 -0.1762 -0.1762 0.3033 0.3033 0.3060 0.3060 3.9594 3.9594 3.9733 3.9733 5.2736 5.2736 5.2818 5.2818 6.2030 6.2030 6.2325 6.2325 6.5866 6.5866 6.6128 6.6128 6.9124 6.9124 6.9471 6.9471 7.0613 7.0613 7.0706 7.0706 7.3259 7.3259 7.3788 7.3788 7.9267 7.9267 7.9346 7.9346 8.2119 8.2119 8.2302 8.2302 11.0574 11.0574 11.0750 11.0750 13.0270 13.0270 13.0439 13.0439 k = 0.1456 0.5994 1.1033 ( 5288 PWs) bands (ev): -31.8921 -31.8921 -31.8921 -31.8921 -13.2051 -13.2051 -13.2042 -13.2042 -12.8397 -12.8397 -12.8383 -12.8383 -12.8210 -12.8210 -12.8206 -12.8206 -0.2156 -0.2156 -0.2150 -0.2150 0.2961 0.2961 0.2987 0.2987 4.0498 4.0498 4.0651 4.0651 5.2496 5.2496 5.2585 5.2585 6.1761 6.1761 6.2042 6.2042 6.6040 6.6040 6.6226 6.6226 6.9098 6.9098 6.9481 6.9481 7.0584 7.0584 7.0689 7.0689 7.3552 7.3552 7.4079 7.4079 7.9688 7.9688 7.9754 7.9754 8.2715 8.2715 8.2896 8.2896 11.0183 11.0183 11.0367 11.0367 12.9976 12.9976 13.0178 13.0178 k = 0.1390 0.5721 1.1033 ( 5284 PWs) bands (ev): -31.8921 -31.8921 -31.8921 -31.8921 -13.2048 -13.2048 -13.2039 -13.2039 -12.8397 -12.8397 -12.8384 -12.8384 -12.8200 -12.8200 -12.8197 -12.8197 -0.2538 -0.2538 -0.2532 -0.2532 0.2885 0.2885 0.2911 0.2911 4.1412 4.1412 4.1581 4.1581 5.2262 5.2262 5.2359 5.2359 6.1499 6.1499 6.1774 6.1774 6.6206 6.6206 6.6324 6.6324 6.9071 6.9071 6.9487 6.9487 7.0554 7.0554 7.0667 7.0667 7.3871 7.3871 7.4390 7.4390 8.0131 8.0131 8.0186 8.0186 8.3322 8.3322 8.3501 8.3501 10.9788 10.9788 10.9981 10.9981 12.9559 12.9559 12.9791 12.9791 k = 0.1324 0.5449 1.1033 ( 5280 PWs) bands (ev): -31.8922 -31.8922 -31.8922 -31.8922 -13.2045 -13.2045 -13.2035 -13.2035 -12.8398 -12.8398 -12.8385 -12.8385 -12.8191 -12.8191 -12.8188 -12.8188 -0.2913 -0.2913 -0.2906 -0.2906 0.2807 0.2807 0.2832 0.2832 4.2328 4.2328 4.2515 4.2515 5.2040 5.2040 5.2146 5.2146 6.1248 6.1248 6.1521 6.1521 6.6361 6.6361 6.6417 6.6417 6.9043 6.9043 6.9491 6.9491 7.0521 7.0521 7.0639 7.0639 7.4215 7.4215 7.4721 7.4721 8.0595 8.0595 8.0640 8.0640 8.3938 8.3938 8.4118 8.4118 10.9394 10.9394 10.9595 10.9595 12.9040 12.9040 12.9299 12.9299 k = 0.1258 0.5176 1.1033 ( 5288 PWs) bands (ev): -31.8923 -31.8923 -31.8923 -31.8923 -13.2042 -13.2042 -13.2032 -13.2032 -12.8399 -12.8399 -12.8387 -12.8387 -12.8180 -12.8180 -12.8179 -12.8179 -0.3277 -0.3277 -0.3270 -0.3270 0.2727 0.2727 0.2750 0.2750 4.3237 4.3237 4.3443 4.3443 5.1834 5.1834 5.1950 5.1950 6.1007 6.1007 6.1284 6.1284 6.6504 6.6504 6.6505 6.6505 6.9015 6.9015 6.9492 6.9492 7.0486 7.0486 7.0605 7.0605 7.4582 7.4582 7.5072 7.5072 8.1076 8.1076 8.1112 8.1112 8.4564 8.4564 8.4746 8.4746 10.9004 10.9004 10.9213 10.9213 12.8431 12.8431 12.8718 12.8718 k = 0.1191 0.4904 1.1033 ( 5292 PWs) bands (ev): -31.8924 -31.8924 -31.8924 -31.8924 -13.2039 -13.2039 -13.2029 -13.2029 -12.8400 -12.8400 -12.8389 -12.8389 -12.8170 -12.8170 -12.8169 -12.8169 -0.3630 -0.3630 -0.3623 -0.3623 0.2646 0.2646 0.2668 0.2668 4.4125 4.4125 4.4353 4.4353 5.1655 5.1655 5.1783 5.1783 6.0779 6.0779 6.1063 6.1063 6.6583 6.6583 6.6636 6.6636 6.8988 6.8988 6.9492 6.9492 7.0449 7.0449 7.0567 7.0567 7.4971 7.4971 7.5441 7.5441 8.1570 8.1570 8.1599 8.1599 8.5202 8.5202 8.5387 8.5387 10.8619 10.8619 10.8836 10.8836 12.7723 12.7723 12.8032 12.8033 k = 0.1125 0.4631 1.1033 ( 5292 PWs) bands (ev): -31.8925 -31.8925 -31.8925 -31.8925 -13.2035 -13.2035 -13.2026 -13.2026 -12.8401 -12.8401 -12.8391 -12.8391 -12.8159 -12.8159 -12.8159 -12.8159 -0.3971 -0.3971 -0.3963 -0.3963 0.2564 0.2564 0.2585 0.2585 4.4976 4.4976 4.5228 4.5228 5.1517 5.1517 5.1656 5.1656 6.0563 6.0563 6.0857 6.0857 6.6653 6.6653 6.6754 6.6754 6.8961 6.8961 6.9490 6.9490 7.0411 7.0411 7.0525 7.0525 7.5382 7.5382 7.5830 7.5830 8.2073 8.2073 8.2097 8.2097 8.5852 8.5852 8.6043 8.6043 10.8242 10.8242 10.8469 10.8469 12.6869 12.6869 12.7166 12.7166 k = 0.1059 0.4359 1.1033 ( 5284 PWs) bands (ev): -31.8925 -31.8925 -31.8925 -31.8925 -13.2032 -13.2032 -13.2023 -13.2023 -12.8403 -12.8403 -12.8393 -12.8393 -12.8148 -12.8148 -12.8148 -12.8148 -0.4297 -0.4297 -0.4290 -0.4290 0.2483 0.2483 0.2503 0.2503 4.5768 4.5768 4.6042 4.6042 5.1441 5.1441 5.1590 5.1590 6.0360 6.0360 6.0665 6.0665 6.6715 6.6715 6.6858 6.6858 6.8936 6.8936 6.9488 6.9488 7.0371 7.0371 7.0478 7.0478 7.5812 7.5812 7.6238 7.6238 8.2579 8.2579 8.2599 8.2599 8.6517 8.6517 8.6716 8.6716 10.7874 10.7874 10.8110 10.8110 12.5812 12.5812 12.6052 12.6052 k = 0.0993 0.4087 1.1033 ( 5288 PWs) bands (ev): -31.8926 -31.8926 -31.8926 -31.8926 -13.2029 -13.2029 -13.2020 -13.2020 -12.8404 -12.8404 -12.8396 -12.8396 -12.8138 -12.8138 -12.8137 -12.8137 -0.4608 -0.4608 -0.4601 -0.4601 0.2403 0.2403 0.2422 0.2422 4.6471 4.6471 4.6762 4.6762 5.1456 5.1456 5.1608 5.1608 6.0168 6.0168 6.0487 6.0487 6.6767 6.6767 6.6948 6.6948 6.8913 6.8913 6.9485 6.9485 7.0330 7.0330 7.0426 7.0426 7.6262 7.6262 7.6664 7.6664 8.3082 8.3082 8.3098 8.3098 8.7199 8.7199 8.7407 8.7407 10.7517 10.7517 10.7763 10.7763 12.4559 12.4559 12.4745 12.4745 k = 0.0927 0.3814 1.1033 ( 5300 PWs) bands (ev): -31.8927 -31.8927 -31.8927 -31.8927 -13.2026 -13.2026 -13.2018 -13.2018 -12.8406 -12.8406 -12.8398 -12.8398 -12.8128 -12.8128 -12.8127 -12.8127 -0.4903 -0.4903 -0.4896 -0.4896 0.2325 0.2325 0.2343 0.2343 4.7051 4.7051 4.7347 4.7347 5.1601 5.1601 5.1740 5.1740 5.9988 5.9988 6.0322 6.0322 6.6811 6.6811 6.7024 6.7024 6.8892 6.8892 6.9482 6.9482 7.0287 7.0287 7.0371 7.0371 7.6730 7.6730 7.7107 7.7107 8.3573 8.3573 8.3587 8.3587 8.7901 8.7901 8.8120 8.8120 10.7171 10.7171 10.7428 10.7428 12.3169 12.3169 12.3314 12.3314 k = 0.0860 0.3542 1.1033 ( 5304 PWs) bands (ev): -31.8928 -31.8928 -31.8928 -31.8928 -13.2024 -13.2024 -13.2015 -13.2015 -12.8408 -12.8408 -12.8401 -12.8401 -12.8118 -12.8118 -12.8116 -12.8116 -0.5181 -0.5181 -0.5174 -0.5174 0.2250 0.2250 0.2267 0.2267 4.7483 4.7483 4.7762 4.7762 5.1904 5.1904 5.2008 5.2008 5.9819 5.9819 6.0170 6.0170 6.6847 6.6847 6.7087 6.7087 6.8875 6.8875 6.9480 6.9480 7.0243 7.0243 7.0311 7.0311 7.7215 7.7215 7.7568 7.7568 8.4045 8.4045 8.4058 8.4058 8.8624 8.8624 8.8856 8.8856 10.6837 10.6837 10.7106 10.7106 12.1692 12.1692 12.1808 12.1808 k = 0.0794 0.3269 1.1033 ( 5300 PWs) bands (ev): -31.8928 -31.8928 -31.8928 -31.8928 -13.2021 -13.2021 -13.2013 -13.2013 -12.8410 -12.8410 -12.8404 -12.8404 -12.8108 -12.8108 -12.8106 -12.8106 -0.5441 -0.5441 -0.5435 -0.5435 0.2178 0.2178 0.2194 0.2194 4.7762 4.7762 4.8008 4.8008 5.2362 5.2362 5.2412 5.2412 5.9661 5.9661 6.0030 6.0030 6.6876 6.6876 6.7136 6.7136 6.8864 6.8864 6.9477 6.9477 7.0198 7.0198 7.0249 7.0249 7.7716 7.7716 7.8045 7.8045 8.4491 8.4491 8.4503 8.4503 8.9371 8.9371 8.9617 8.9617 10.6516 10.6516 10.6798 10.6798 12.0166 12.0166 12.0260 12.0260 k = 0.0728 0.2997 1.1033 ( 5300 PWs) bands (ev): -31.8929 -31.8929 -31.8929 -31.8929 -13.2018 -13.2018 -13.2011 -13.2011 -12.8412 -12.8412 -12.8406 -12.8406 -12.8098 -12.8098 -12.8096 -12.8096 -0.5683 -0.5683 -0.5677 -0.5677 0.2110 0.2110 0.2124 0.2124 4.7912 4.7912 4.8118 4.8118 5.2921 5.2921 5.2935 5.2935 5.9511 5.9511 5.9900 5.9900 6.6898 6.6898 6.7171 6.7171 6.8858 6.8858 6.9477 6.9477 7.0152 7.0152 7.0183 7.0183 7.8232 7.8232 7.8537 7.8537 8.4904 8.4904 8.4914 8.4914 9.0142 9.0142 9.0403 9.0403 10.6207 10.6207 10.6504 10.6504 11.8620 11.8620 11.8698 11.8698 k = 0.0662 0.2724 1.1033 ( 5308 PWs) bands (ev): -31.8930 -31.8930 -31.8930 -31.8930 -13.2016 -13.2016 -13.2009 -13.2009 -12.8414 -12.8414 -12.8409 -12.8409 -12.8089 -12.8089 -12.8087 -12.8087 -0.5905 -0.5905 -0.5899 -0.5899 0.2045 0.2045 0.2059 0.2059 4.7970 4.7970 4.8139 4.8139 5.3493 5.3493 5.3571 5.3571 5.9371 5.9371 5.9781 5.9781 6.6914 6.6914 6.7193 6.7193 6.8858 6.8858 6.9476 6.9476 7.0106 7.0106 7.0115 7.0115 7.8759 7.8759 7.9042 7.9042 8.5277 8.5277 8.5285 8.5285 9.0936 9.0936 9.1212 9.1212 10.5910 10.5910 10.6223 10.6223 11.7074 11.7074 11.7142 11.7142 k = 0.0596 0.2452 1.1033 ( 5312 PWs) bands (ev): -31.8930 -31.8930 -31.8930 -31.8930 -13.2014 -13.2014 -13.2007 -13.2007 -12.8416 -12.8416 -12.8411 -12.8411 -12.8081 -12.8081 -12.8079 -12.8079 -0.6108 -0.6108 -0.6102 -0.6102 0.1986 0.1986 0.1998 0.1998 4.7971 4.7971 4.8108 4.8108 5.4090 5.4090 5.4230 5.4230 5.9238 5.9238 5.9671 5.9671 6.6925 6.6925 6.7202 6.7202 6.8865 6.8865 6.9477 6.9477 7.0044 7.0044 7.0060 7.0060 7.9295 7.9295 7.9555 7.9555 8.5605 8.5605 8.5611 8.5611 9.1752 9.1752 9.2044 9.2044 10.5626 10.5626 10.5958 10.5958 11.5548 11.5548 11.5611 11.5611 k = 0.0530 0.2179 1.1033 ( 5312 PWs) bands (ev): -31.8931 -31.8931 -31.8931 -31.8931 -13.2012 -13.2012 -13.2006 -13.2006 -12.8417 -12.8417 -12.8413 -12.8413 -12.8073 -12.8073 -12.8071 -12.8071 -0.6290 -0.6290 -0.6285 -0.6285 0.1932 0.1932 0.1942 0.1942 4.7937 4.7937 4.8048 4.8048 5.4683 5.4683 5.4881 5.4881 5.9111 5.9111 5.9568 5.9568 6.6933 6.6933 6.7201 6.7201 6.8881 6.8881 6.9479 6.9479 6.9972 6.9972 7.0015 7.0015 7.9835 7.9835 8.0072 8.0072 8.5883 8.5883 8.5886 8.5886 9.2587 9.2587 9.2893 9.2893 10.5352 10.5352 10.5706 10.5706 11.4058 11.4058 11.4121 11.4121 k = 0.0463 0.1907 1.1033 ( 5316 PWs) bands (ev): -31.8931 -31.8931 -31.8931 -31.8931 -13.2010 -13.2010 -13.2005 -13.2005 -12.8419 -12.8419 -12.8415 -12.8415 -12.8066 -12.8066 -12.8064 -12.8064 -0.6452 -0.6452 -0.6448 -0.6448 0.1883 0.1883 0.1892 0.1892 4.7887 4.7887 4.7977 4.7977 5.5250 5.5250 5.5505 5.5505 5.8991 5.8991 5.9471 5.9471 6.6937 6.6937 6.7189 6.7189 6.8903 6.8903 6.9480 6.9480 6.9901 6.9901 6.9969 6.9969 8.0371 8.0371 8.0585 8.0585 8.6108 8.6108 8.6109 8.6109 9.3435 9.3435 9.3754 9.3754 10.5088 10.5088 10.5468 10.5468 11.2620 11.2620 11.2691 11.2691 k = 0.0397 0.1635 1.1033 ( 5328 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2008 -13.2008 -13.2004 -13.2004 -12.8420 -12.8420 -12.8417 -12.8417 -12.8060 -12.8060 -12.8058 -12.8058 -0.6593 -0.6593 -0.6589 -0.6589 0.1840 0.1840 0.1848 0.1848 4.7831 4.7831 4.7903 4.7903 5.5778 5.5778 5.6086 5.6086 5.8874 5.8874 5.9377 5.9377 6.6940 6.6940 6.7169 6.7169 6.8934 6.8934 6.9479 6.9479 6.9831 6.9831 6.9925 6.9925 8.0895 8.0895 8.1086 8.1086 8.6275 8.6275 8.6281 8.6281 9.4289 9.4289 9.4620 9.4620 10.4830 10.4830 10.5240 10.5240 11.1255 11.1255 11.1341 11.1341 k = 0.0331 0.1362 1.1033 ( 5320 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2007 -13.2007 -13.2003 -13.2003 -12.8421 -12.8421 -12.8418 -12.8418 -12.8054 -12.8054 -12.8053 -12.8053 -0.6712 -0.6712 -0.6709 -0.6709 0.1804 0.1804 0.1810 0.1810 4.7775 4.7775 4.7832 4.7832 5.6256 5.6256 5.6613 5.6613 5.8761 5.8761 5.9282 5.9282 6.6943 6.6943 6.7143 6.7143 6.8973 6.8973 6.9474 6.9474 6.9770 6.9770 6.9883 6.9883 8.1395 8.1395 8.1561 8.1561 8.6390 8.6390 8.6400 8.6400 9.5141 9.5141 9.5478 9.5478 10.4574 10.4574 10.5016 10.5016 10.9985 10.9985 11.0095 11.0095 k = 0.0265 0.1090 1.1033 ( 5320 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2005 -13.2005 -13.2002 -13.2002 -12.8422 -12.8422 -12.8420 -12.8420 -12.8050 -12.8050 -12.8048 -12.8048 -0.6810 -0.6810 -0.6808 -0.6808 0.1773 0.1773 0.1779 0.1779 4.7726 4.7726 4.7770 4.7770 5.6679 5.6679 5.7078 5.7078 5.8652 5.8652 5.9183 5.9183 6.6947 6.6947 6.7112 6.7112 6.9018 6.9018 6.9458 6.9458 6.9721 6.9721 6.9842 6.9842 8.1854 8.1854 8.1995 8.1995 8.6456 8.6456 8.6470 8.6470 9.5973 9.5973 9.6307 9.6307 10.4316 10.4316 10.4785 10.4785 10.8846 10.8846 10.8985 10.8985 k = 0.0199 0.0817 1.1033 ( 5312 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2004 -13.2004 -13.2002 -13.2002 -12.8422 -12.8422 -12.8421 -12.8421 -12.8046 -12.8046 -12.8045 -12.8045 -0.6887 -0.6887 -0.6885 -0.6885 0.1750 0.1750 0.1754 0.1754 4.7686 4.7686 4.7718 4.7718 5.7045 5.7045 5.7466 5.7466 5.8552 5.8552 5.9073 5.9073 6.6953 6.6953 6.7081 6.7081 6.9070 6.9070 6.9424 6.9424 6.9694 6.9694 6.9805 6.9805 8.2255 8.2255 8.2366 8.2366 8.6484 8.6484 8.6498 8.6498 9.6760 9.6760 9.7073 9.7073 10.4055 10.4055 10.4527 10.4527 10.7892 10.7892 10.8053 10.8053 k = 0.0132 0.0545 1.1033 ( 5316 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2002 -13.2002 -12.8423 -12.8423 -12.8422 -12.8422 -12.8043 -12.8043 -12.8042 -12.8042 -0.6941 -0.6941 -0.6940 -0.6940 0.1733 0.1733 0.1736 0.1736 4.7658 4.7658 4.7678 4.7678 5.7353 5.7353 5.7748 5.7748 5.8485 5.8485 5.8948 5.8948 6.6963 6.6963 6.7049 6.7049 6.9126 6.9126 6.9375 6.9375 6.9687 6.9687 6.9770 6.9770 8.2574 8.2574 8.2652 8.2652 8.6486 8.6486 8.6499 8.6499 9.7454 9.7454 9.7714 9.7714 10.3813 10.3813 10.4225 10.4225 10.7190 10.7190 10.7343 10.7343 k = 0.0066 0.0272 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2002 -13.2002 -12.8423 -12.8423 -12.8422 -12.8422 -12.8041 -12.8041 -12.8041 -12.8041 -0.6974 -0.6974 -0.6974 -0.6974 0.1723 0.1723 0.1725 0.1725 4.7642 4.7642 4.7652 4.7652 5.7602 5.7602 5.7858 5.7858 5.8513 5.8513 5.8803 5.8803 6.6977 6.6977 6.7021 6.7021 6.9188 6.9188 6.9315 6.9315 6.9695 6.9695 6.9739 6.9739 8.2788 8.2788 8.2828 8.2828 8.6480 8.6480 8.6487 8.6487 9.7981 9.7981 9.8136 9.8136 10.3659 10.3659 10.3908 10.3908 10.6793 10.6793 10.6888 10.6888 k = 0.0000 0.0000 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8041 -12.8041 -12.8041 -12.8041 -0.6985 -0.6985 -0.6985 -0.6985 0.1720 0.1720 0.1720 0.1720 4.7640 4.7640 4.7640 4.7640 5.7783 5.7783 5.7783 5.7783 5.8646 5.8646 5.8646 5.8646 6.6996 6.6996 6.6996 6.6996 6.9251 6.9251 6.9251 6.9251 6.9714 6.9714 6.9714 6.9714 8.2875 8.2875 8.2875 8.2875 8.6478 8.6478 8.6478 8.6478 9.8234 9.8234 9.8234 9.8234 10.3686 10.3686 10.3686 10.3686 10.6700 10.6700 10.6700 10.6700 k = 0.0000 0.0000 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8041 -12.8041 -12.8041 -12.8041 -0.6985 -0.6985 -0.6985 -0.6985 0.1720 0.1720 0.1720 0.1720 4.7640 4.7640 4.7640 4.7640 5.7783 5.7783 5.7783 5.7783 5.8646 5.8646 5.8646 5.8646 6.6996 6.6996 6.6996 6.6996 6.9251 6.9251 6.9251 6.9251 6.9714 6.9714 6.9714 6.9714 8.2875 8.2875 8.2875 8.2875 8.6478 8.6478 8.6478 8.6478 9.8234 9.8234 9.8234 9.8234 10.3686 10.3686 10.3686 10.3686 10.6700 10.6700 10.6700 10.6700 k = 0.0000 0.0000 1.0751 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2005 -13.2005 -13.1999 -13.1999 -12.8427 -12.8427 -12.8418 -12.8418 -12.8041 -12.8041 -12.8040 -12.8040 -0.7976 -0.7976 -0.5976 -0.5976 0.0799 0.0799 0.2654 0.2654 4.6843 4.6843 4.8449 4.8449 5.7538 5.7538 5.7902 5.7902 5.8422 5.8422 5.8987 5.8987 6.6871 6.6871 6.7098 6.7098 6.9089 6.9089 6.9304 6.9304 6.9590 6.9590 6.9969 6.9969 8.2784 8.2784 8.2945 8.2945 8.6376 8.6376 8.6561 8.6561 9.8078 9.8078 9.8366 9.8366 10.3628 10.3628 10.3790 10.3790 10.6693 10.6693 10.6841 10.6841 k = 0.0000 0.0000 1.0468 ( 5318 PWs) bands (ev): -31.8934 -31.8934 -31.8933 -31.8933 -13.2007 -13.2007 -13.1995 -13.1995 -12.8430 -12.8430 -12.8412 -12.8412 -12.8041 -12.8041 -12.8039 -12.8039 -0.8948 -0.8948 -0.4951 -0.4951 -0.0110 -0.0110 0.3597 0.3597 4.6063 4.6063 4.9265 4.9265 5.7265 5.7265 5.7699 5.7699 5.8513 5.8513 5.9348 5.9348 6.6723 6.6723 6.7169 6.7169 6.8868 6.8868 6.9279 6.9279 6.9600 6.9600 7.0280 7.0280 8.2674 8.2674 8.2991 8.2991 8.6260 8.6260 8.6621 8.6621 9.7895 9.7895 9.8483 9.8483 10.3616 10.3616 10.3944 10.3944 10.6819 10.6819 10.7111 10.7111 k = 0.0000 0.0000 1.0185 ( 5306 PWs) bands (ev): -31.8934 -31.8934 -31.8932 -31.8932 -13.2008 -13.2008 -13.1991 -13.1991 -12.8433 -12.8433 -12.8405 -12.8405 -12.8040 -12.8040 -12.8038 -12.8038 -0.9901 -0.9901 -0.3909 -0.3909 -0.1004 -0.1004 0.4546 0.4546 4.5305 4.5305 5.0083 5.0083 5.6980 5.6980 5.7357 5.7357 5.8735 5.8735 5.9712 5.9712 6.6548 6.6548 6.7196 6.7196 6.8668 6.8668 6.9237 6.9237 6.9658 6.9658 7.0610 7.0610 8.2547 8.2547 8.3013 8.3013 8.6134 8.6134 8.6655 8.6655 9.7686 9.7686 9.8599 9.8599 10.3648 10.3648 10.4148 10.4148 10.7071 10.7071 10.7499 10.7499 k = 0.0000 0.0000 0.9902 ( 5306 PWs) bands (ev): -31.8935 -31.8935 -31.8932 -31.8932 -13.2009 -13.2009 -13.1986 -13.1986 -12.8435 -12.8435 -12.8397 -12.8397 -12.8040 -12.8040 -12.8036 -12.8036 -1.0834 -1.0834 -0.2852 -0.2852 -0.1881 -0.1881 0.5500 0.5500 4.4573 4.4573 5.0898 5.0898 5.6688 5.6688 5.6991 5.6991 5.8974 5.8974 6.0075 6.0075 6.6336 6.6336 6.7167 6.7167 6.8532 6.8532 6.9203 6.9203 6.9730 6.9730 7.0944 7.0944 8.2406 8.2406 8.3008 8.3008 8.6004 8.6004 8.6662 8.6662 9.7453 9.7453 9.8727 9.8727 10.3720 10.3720 10.4402 10.4402 10.7440 10.7440 10.7993 10.7993 k = 0.0000 0.0000 0.9619 ( 5308 PWs) bands (ev): -31.8936 -31.8936 -31.8933 -31.8933 -13.2010 -13.2010 -13.1981 -13.1981 -12.8436 -12.8436 -12.8389 -12.8389 -12.8039 -12.8039 -12.8035 -12.8035 -1.1747 -1.1747 -0.2741 -0.2741 -0.1781 -0.1781 0.6455 0.6455 4.3873 4.3873 5.1703 5.1703 5.6388 5.6388 5.6622 5.6622 5.9212 5.9212 6.0434 6.0434 6.6078 6.6078 6.7090 6.7090 6.8470 6.8470 6.9187 6.9187 6.9806 6.9806 7.1280 7.1280 8.2254 8.2254 8.2978 8.2978 8.5871 8.5871 8.6643 8.6643 9.7203 9.7203 9.8879 9.8879 10.3833 10.3833 10.4705 10.4705 10.7914 10.7914 10.8578 10.8578 k = 0.0000 0.0000 0.9336 ( 5308 PWs) bands (ev): -31.8937 -31.8937 -31.8933 -31.8933 -13.2010 -13.2010 -13.1975 -13.1975 -12.8436 -12.8436 -12.8380 -12.8380 -12.8037 -12.8037 -12.8032 -12.8032 -1.2638 -1.2638 -0.3582 -0.3582 -0.0698 -0.0698 0.7408 0.7408 4.3210 4.3210 5.2493 5.2493 5.6076 5.6076 5.6263 5.6263 5.9444 5.9444 6.0787 6.0787 6.5769 6.5769 6.6990 6.6990 6.8458 6.8458 6.9200 6.9200 6.9885 6.9885 7.1614 7.1614 8.2093 8.2093 8.2921 8.2921 8.5741 8.5741 8.6602 8.6602 9.6940 9.6940 9.9068 9.9068 10.3982 10.3982 10.5054 10.5054 10.8482 10.8482 10.9241 10.9241 k = 0.0000 0.0000 0.9053 ( 5308 PWs) bands (ev): -31.8938 -31.8938 -31.8933 -31.8933 -13.2009 -13.2009 -13.1969 -13.1969 -12.8436 -12.8436 -12.8371 -12.8371 -12.8035 -12.8035 -12.8030 -12.8030 -1.3508 -1.3508 -0.4403 -0.4403 0.0397 0.0397 0.8354 0.8354 4.2588 4.2588 5.3261 5.3261 5.5743 5.5743 5.5927 5.5927 5.9666 5.9666 6.1135 6.1135 6.5413 6.5413 6.6889 6.6889 6.8463 6.8463 6.9250 6.9250 6.9965 6.9965 7.1944 7.1944 8.1927 8.1927 8.2840 8.2840 8.5615 8.5615 8.6547 8.6547 9.6669 9.6669 9.9298 9.9298 10.4167 10.4167 10.5447 10.5447 10.9135 10.9135 10.9967 10.9967 k = 0.0000 0.0000 0.8770 ( 5304 PWs) bands (ev): -31.8939 -31.8939 -31.8934 -31.8934 -13.2008 -13.2008 -13.1962 -13.1962 -12.8435 -12.8435 -12.8360 -12.8360 -12.8033 -12.8033 -12.8027 -12.8027 -1.4355 -1.4355 -0.5204 -0.5204 0.1503 0.1503 0.9289 0.9289 4.2014 4.2014 5.3998 5.3998 5.5391 5.5391 5.5617 5.5617 5.9879 5.9879 6.1476 6.1476 6.5020 6.5020 6.6800 6.6800 6.8466 6.8466 6.9340 6.9340 7.0047 7.0047 7.2269 7.2269 8.1757 8.1757 8.2734 8.2734 8.5494 8.5494 8.6489 8.6489 9.6394 9.6394 9.9574 9.9574 10.4385 10.4385 10.5880 10.5880 10.9864 10.9864 11.0745 11.0745 k = 0.0000 0.0000 0.8487 ( 5300 PWs) bands (ev): -31.8940 -31.8940 -31.8934 -31.8934 -13.2007 -13.2007 -13.1955 -13.1955 -12.8434 -12.8434 -12.8350 -12.8350 -12.8030 -12.8030 -12.8024 -12.8024 -1.5180 -1.5180 -0.5984 -0.5984 0.2616 0.2616 1.0208 1.0208 4.1493 4.1493 5.4665 5.4665 5.5063 5.5063 5.5328 5.5328 6.0082 6.0082 6.1809 6.1809 6.4602 6.4602 6.6725 6.6725 6.8457 6.8457 6.9466 6.9466 7.0132 7.0132 7.2583 7.2583 8.1586 8.1586 8.2607 8.2607 8.5381 8.5381 8.6439 8.6439 9.6118 9.6118 9.9896 9.9896 10.4634 10.4634 10.6349 10.6349 11.0661 11.0661 11.1563 11.1563 k = 0.0000 0.0000 0.8204 ( 5292 PWs) bands (ev): -31.8941 -31.8941 -31.8935 -31.8935 -13.2005 -13.2005 -13.1948 -13.1948 -12.8432 -12.8432 -12.8339 -12.8339 -12.8026 -12.8026 -12.8020 -12.8020 -1.5981 -1.5981 -0.6742 -0.6742 0.3736 0.3736 1.1105 1.1105 4.1030 4.1030 5.4612 5.4612 5.5036 5.5036 5.5428 5.5428 6.0275 6.0275 6.2134 6.2134 6.4168 6.4168 6.6666 6.6666 6.8438 6.8438 6.9618 6.9618 7.0223 7.0223 7.2884 7.2884 8.1416 8.1416 8.2460 8.2460 8.5275 8.5275 8.6412 8.6412 9.5843 9.5843 10.0262 10.0262 10.4913 10.4913 10.6846 10.6846 11.1519 11.1519 11.2410 11.2410 k = 0.0000 0.0000 0.7921 ( 5292 PWs) bands (ev): -31.8942 -31.8942 -31.8935 -31.8935 -13.2003 -13.2003 -13.1940 -13.1940 -12.8430 -12.8430 -12.8328 -12.8328 -12.8021 -12.8021 -12.8015 -12.8015 -1.6759 -1.6759 -0.7478 -0.7478 0.4861 0.4861 1.1975 1.1975 4.0633 4.0633 5.4254 5.4254 5.4770 5.4770 5.6038 5.6038 6.0459 6.0459 6.2448 6.2448 6.3726 6.3726 6.6620 6.6620 6.8414 6.8414 6.9786 6.9786 7.0323 7.0323 7.3166 7.3166 8.1249 8.1249 8.2294 8.2294 8.5177 8.5177 8.6423 8.6423 9.5570 9.5570 10.0668 10.0668 10.5218 10.5218 10.7368 10.7368 11.2432 11.2432 11.3275 11.3275 k = 0.0000 0.0000 0.7639 ( 5292 PWs) bands (ev): -31.8944 -31.8944 -31.8936 -31.8936 -13.2001 -13.2001 -13.1933 -13.1933 -12.8428 -12.8428 -12.8318 -12.8318 -12.8016 -12.8016 -12.8010 -12.8010 -1.7513 -1.7513 -0.8191 -0.8191 0.5987 0.5987 1.2810 1.2810 4.0306 4.0306 5.3890 5.3890 5.4510 5.4510 5.6612 5.6612 6.0632 6.0632 6.2745 6.2745 6.3290 6.3290 6.6589 6.6589 6.8385 6.8385 6.9952 6.9952 7.0444 7.0444 7.3422 7.3422 8.1087 8.1087 8.2112 8.2112 8.5087 8.5087 8.6488 8.6488 9.5301 9.5301 10.1109 10.1109 10.5550 10.5550 10.7906 10.7906 11.3395 11.3395 11.4146 11.4146 k = 0.0000 0.0000 0.7356 ( 5286 PWs) bands (ev): -31.8945 -31.8945 -31.8937 -31.8937 -13.1999 -13.1999 -13.1925 -13.1925 -12.8426 -12.8426 -12.8307 -12.8307 -12.8009 -12.8009 -12.8005 -12.8005 -1.8243 -1.8243 -0.8880 -0.8880 0.7112 0.7112 1.3606 1.3606 4.0057 4.0057 5.3529 5.3529 5.4259 5.4259 5.7136 5.7136 6.0796 6.0796 6.2784 6.2784 6.3105 6.3105 6.6573 6.6573 6.8356 6.8356 7.0101 7.0101 7.0598 7.0598 7.3646 7.3646 8.0930 8.0930 8.1917 8.1917 8.5005 8.5005 8.6622 8.6622 9.5034 9.5034 10.1582 10.1582 10.5906 10.5906 10.8454 10.8454 11.4396 11.4396 11.5012 11.5012 k = 0.0000 0.0000 0.7073 ( 5290 PWs) bands (ev): -31.8947 -31.8947 -31.8938 -31.8938 -13.1996 -13.1996 -13.1917 -13.1917 -12.8424 -12.8424 -12.8297 -12.8297 -12.8002 -12.8002 -12.7998 -12.7998 -1.8948 -1.8948 -0.9545 -0.9545 0.8233 0.8233 1.4357 1.4357 3.9889 3.9889 5.3172 5.3172 5.4020 5.4020 5.7605 5.7605 6.0950 6.0950 6.2377 6.2377 6.3366 6.3366 6.6569 6.6569 6.8329 6.8329 7.0222 7.0222 7.0794 7.0794 7.3829 7.3829 8.0779 8.0779 8.1711 8.1711 8.4930 8.4930 8.6839 8.6839 9.4770 9.4770 10.2081 10.2081 10.6284 10.6284 10.9005 10.9005 11.5415 11.5415 11.5860 11.5860 k = 0.0000 0.0000 0.6790 ( 5288 PWs) bands (ev): -31.8948 -31.8948 -31.8939 -31.8939 -13.1993 -13.1993 -13.1909 -13.1909 -12.8422 -12.8422 -12.8287 -12.8287 -12.7994 -12.7994 -12.7991 -12.7991 -1.9628 -1.9628 -1.0187 -1.0187 0.9344 0.9344 1.5059 1.5059 3.9809 3.9809 5.2823 5.2823 5.3794 5.3794 5.8015 5.8015 6.1088 6.1088 6.1969 6.1969 6.3639 6.3639 6.6579 6.6579 6.8303 6.8303 7.0316 7.0316 7.1028 7.1028 7.3967 7.3967 8.0636 8.0636 8.1497 8.1497 8.4861 8.4861 8.7147 8.7147 9.4510 9.4510 10.2602 10.2602 10.6685 10.6685 10.9551 10.9551 11.6307 11.6307 11.6636 11.6636 k = 0.0000 0.0000 0.6507 ( 5300 PWs) bands (ev): -31.8950 -31.8950 -31.8940 -31.8940 -13.1990 -13.1990 -13.1901 -13.1901 -12.8421 -12.8421 -12.8277 -12.8277 -12.7985 -12.7985 -12.7983 -12.7983 -2.0282 -2.0282 -1.0804 -1.0804 1.0439 1.0439 1.5709 1.5709 3.9817 3.9817 5.2480 5.2480 5.3581 5.3581 5.8368 5.8368 6.1173 6.1173 6.1623 6.1623 6.3904 6.3904 6.6602 6.6602 6.8280 6.8280 7.0390 7.0390 7.1290 7.1290 7.4056 7.4056 8.0500 8.0500 8.1276 8.1276 8.4798 8.4798 8.7554 8.7554 9.4252 9.4252 10.3138 10.3138 10.7106 10.7106 11.0087 11.0087 11.6145 11.6145 11.7289 11.7289 k = 0.0000 0.0000 0.6224 ( 5292 PWs) bands (ev): -31.8951 -31.8951 -31.8941 -31.8941 -13.1987 -13.1987 -13.1892 -13.1892 -12.8419 -12.8419 -12.8269 -12.8269 -12.7975 -12.7975 -12.7974 -12.7974 -2.0911 -2.0911 -1.1396 -1.1396 1.1510 1.1510 1.6309 1.6309 3.9915 3.9915 5.2147 5.2147 5.3383 5.3383 5.8665 5.8665 6.1027 6.1027 6.1523 6.1523 6.4157 6.4157 6.6637 6.6637 6.8262 6.8262 7.0453 7.0453 7.1575 7.1575 7.4095 7.4095 8.0372 8.0372 8.1052 8.1052 8.4741 8.4741 8.8061 8.8061 9.3995 9.3995 10.3684 10.3684 10.7547 10.7547 11.0607 11.0607 11.5667 11.5667 11.7854 11.7854 k = 0.0000 0.0000 0.5941 ( 5284 PWs) bands (ev): -31.8953 -31.8953 -31.8942 -31.8942 -13.1984 -13.1984 -13.1884 -13.1884 -12.8417 -12.8417 -12.8261 -12.8261 -12.7964 -12.7964 -12.7964 -12.7964 -2.1514 -2.1514 -1.1963 -1.1963 1.2545 1.2545 1.6868 1.6868 4.0101 4.0101 5.1823 5.1823 5.3201 5.3201 5.8909 5.8909 6.0713 6.0713 6.1613 6.1613 6.4399 6.4399 6.6684 6.6684 6.8249 6.8249 7.0507 7.0507 7.1876 7.1876 7.4088 7.4088 8.0252 8.0252 8.0827 8.0827 8.4688 8.4688 8.8665 8.8665 9.3738 9.3738 10.4236 10.4236 10.8007 10.8007 11.1107 11.1107 11.5221 11.5221 11.8076 11.8076 k = 0.0000 0.0000 0.5658 ( 5285 PWs) bands (ev): -31.8954 -31.8954 -31.8943 -31.8943 -13.1981 -13.1981 -13.1876 -13.1876 -12.8416 -12.8416 -12.8253 -12.8253 -12.7954 -12.7954 -12.7952 -12.7952 -2.2091 -2.2091 -1.2505 -1.2505 1.3524 1.3524 1.7400 1.7400 4.0367 4.0367 5.1509 5.1509 5.3034 5.3034 5.9105 5.9105 6.0400 6.0400 6.1730 6.1730 6.4627 6.4627 6.6743 6.6743 6.8240 6.8240 7.0555 7.0555 7.2190 7.2190 7.4040 7.4040 8.0137 8.0137 8.0604 8.0604 8.4640 8.4640 8.9358 8.9358 9.3480 9.3480 10.4786 10.4786 10.8484 10.8484 11.1583 11.1583 11.4835 11.4835 11.7702 11.7702 k = 0.0000 0.0000 0.5375 ( 5283 PWs) bands (ev): -31.8956 -31.8956 -31.8944 -31.8944 -13.1978 -13.1978 -13.1868 -13.1868 -12.8415 -12.8415 -12.8247 -12.8247 -12.7943 -12.7943 -12.7939 -12.7939 -2.2641 -2.2641 -1.3021 -1.3021 1.4420 1.4420 1.7933 1.7933 4.0706 4.0706 5.1205 5.1205 5.2884 5.2884 5.9258 5.9258 6.0122 6.0122 6.1846 6.1846 6.4841 6.4841 6.6811 6.6811 6.8238 6.8238 7.0596 7.0596 7.2511 7.2511 7.3963 7.3963 8.0025 8.0025 8.0388 8.0388 8.4595 8.4595 9.0129 9.0129 9.3219 9.3219 10.5329 10.5329 10.8978 10.8978 11.2035 11.2035 11.4521 11.4521 11.6837 11.6837 k = 0.0000 0.0000 0.5092 ( 5275 PWs) bands (ev): -31.8958 -31.8958 -31.8945 -31.8945 -13.1975 -13.1975 -13.1860 -13.1860 -12.8414 -12.8414 -12.8242 -12.8242 -12.7931 -12.7931 -12.7925 -12.7925 -2.3164 -2.3164 -1.3512 -1.3512 1.5197 1.5197 1.8502 1.8502 4.1105 4.1105 5.0913 5.0913 5.2749 5.2749 5.9374 5.9374 5.9896 5.9896 6.1955 6.1955 6.5041 6.5041 6.6887 6.6887 6.8242 6.8242 7.0633 7.0633 7.2826 7.2826 7.3877 7.3877 7.9910 7.9910 8.0187 8.0187 8.4553 8.4553 9.0967 9.0967 9.2954 9.2954 10.5858 10.5858 10.9487 10.9487 11.2463 11.2463 11.4287 11.4287 11.5734 11.5734 k = 0.0000 0.0000 0.4809 ( 5273 PWs) bands (ev): -31.8959 -31.8959 -31.8946 -31.8946 -13.1972 -13.1972 -13.1853 -13.1853 -12.8414 -12.8414 -12.8237 -12.8237 -12.7919 -12.7919 -12.7911 -12.7911 -2.3661 -2.3661 -1.3977 -1.3977 1.5821 1.5821 1.9143 1.9143 4.1549 4.1549 5.0634 5.0634 5.2627 5.2627 5.9460 5.9460 5.9734 5.9734 6.2054 6.2054 6.5225 6.5225 6.6971 6.6971 6.8252 6.8252 7.0665 7.0665 7.3088 7.3088 7.3832 7.3832 7.9774 7.9774 8.0019 8.0019 8.4515 8.4515 9.1855 9.1855 9.2683 9.2683 10.6368 10.6368 11.0007 11.0007 11.2866 11.2866 11.4121 11.4121 11.4520 11.4520 k = 0.0000 0.0000 0.4527 ( 5275 PWs) bands (ev): -31.8961 -31.8961 -31.8947 -31.8947 -13.1969 -13.1969 -13.1846 -13.1846 -12.8413 -12.8413 -12.8233 -12.8233 -12.7907 -12.7907 -12.7897 -12.7897 -2.4130 -2.4130 -1.4416 -1.4416 1.6282 1.6282 1.9870 1.9870 4.2020 4.2020 5.0366 5.0366 5.2516 5.2516 5.9518 5.9518 5.9651 5.9651 6.2142 6.2142 6.5394 6.5394 6.7059 6.7059 6.8271 6.8271 7.0693 7.0693 7.3185 7.3185 7.3948 7.3948 7.9607 7.9607 7.9896 7.9896 8.4479 8.4479 9.2394 9.2394 9.2788 9.2788 10.6854 10.6854 11.0533 11.0533 11.3125 11.3125 11.3253 11.3253 11.4136 11.4136 k = 0.0000 0.0000 0.4244 ( 5271 PWs) bands (ev): -31.8962 -31.8962 -31.8948 -31.8948 -13.1966 -13.1966 -13.1839 -13.1839 -12.8413 -12.8413 -12.8230 -12.8230 -12.7895 -12.7895 -12.7882 -12.7882 -2.4572 -2.4572 -1.4829 -1.4829 1.6598 1.6598 2.0669 2.0669 4.2501 4.2501 5.0113 5.0113 5.2411 5.2411 5.9557 5.9557 5.9659 5.9659 6.2220 6.2220 6.5547 6.5547 6.7149 6.7149 6.8297 6.8297 7.0717 7.0717 7.3106 7.3106 7.4241 7.4241 7.9421 7.9421 7.9806 7.9806 8.4445 8.4445 9.2106 9.2106 9.3726 9.3726 10.7320 10.7320 11.0999 11.0999 11.1794 11.1794 11.3605 11.3605 11.4198 11.4198 k = 0.0000 0.0000 0.3961 ( 5283 PWs) bands (ev): -31.8964 -31.8964 -31.8949 -31.8949 -13.1963 -13.1963 -13.1833 -13.1833 -12.8413 -12.8413 -12.8227 -12.8227 -12.7883 -12.7883 -12.7868 -12.7868 -2.4986 -2.4986 -1.5216 -1.5216 1.6802 1.6802 2.1509 2.1509 4.2974 4.2974 4.9873 4.9873 5.2308 5.2308 5.9583 5.9583 5.9767 5.9767 6.2288 6.2288 6.5684 6.5684 6.7240 6.7240 6.8330 6.8330 7.0738 7.0738 7.2953 7.2953 7.4611 7.4611 7.9231 7.9231 7.9735 7.9735 8.4414 8.4414 9.1800 9.1800 9.4666 9.4666 10.7770 10.7770 11.0136 11.0136 11.1726 11.1726 11.3942 11.3942 11.4373 11.4373 k = 0.0000 0.0000 0.3678 ( 5285 PWs) bands (ev): -31.8965 -31.8965 -31.8951 -31.8951 -13.1961 -13.1961 -13.1827 -13.1827 -12.8414 -12.8414 -12.8225 -12.8225 -12.7871 -12.7871 -12.7854 -12.7854 -2.5372 -2.5372 -1.5576 -1.5576 1.6923 1.6923 2.2365 2.2365 4.3423 4.3423 4.9647 4.9647 5.2200 5.2200 5.9594 5.9594 5.9994 5.9994 6.2347 6.2347 6.5806 6.5806 6.7332 6.7332 6.8370 6.8370 7.0757 7.0757 7.2776 7.2776 7.5014 7.5014 7.9046 7.9046 7.9676 7.9676 8.4387 8.4387 9.1477 9.1477 9.5584 9.5584 10.8200 10.8200 10.8644 10.8644 11.2265 11.2265 11.4263 11.4263 11.4646 11.4646 k = 0.0000 0.0000 0.3395 ( 5285 PWs) bands (ev): -31.8966 -31.8966 -31.8951 -31.8951 -13.1959 -13.1959 -13.1821 -13.1821 -12.8414 -12.8414 -12.8223 -12.8223 -12.7859 -12.7859 -12.7839 -12.7839 -2.5731 -2.5731 -1.5910 -1.5910 1.6987 1.6987 2.3213 2.3213 4.3836 4.3836 4.9436 4.9436 5.2086 5.2086 5.9595 5.9595 6.0342 6.0342 6.2401 6.2401 6.5914 6.5914 6.7422 6.7422 6.8416 6.8416 7.0773 7.0773 7.2589 7.2589 7.5435 7.5435 7.8870 7.8870 7.9625 7.9625 8.4364 8.4364 9.1135 9.1135 9.6460 9.6460 10.7045 10.7045 10.8708 10.8708 11.2830 11.2830 11.4574 11.4574 11.5000 11.5000 k = 0.0000 0.0000 0.3112 ( 5279 PWs) bands (ev): -31.8967 -31.8967 -31.8952 -31.8952 -13.1957 -13.1957 -13.1815 -13.1815 -12.8415 -12.8415 -12.8222 -12.8222 -12.7847 -12.7847 -12.7825 -12.7825 -2.6061 -2.6061 -1.6218 -1.6218 1.7009 1.7009 2.4038 2.4038 4.4204 4.4204 4.9240 4.9240 5.1961 5.1961 5.9587 5.9587 6.0809 6.0809 6.2454 6.2454 6.6007 6.6007 6.7509 6.7509 6.8468 6.8468 7.0788 7.0788 7.2403 7.2403 7.5865 7.5865 7.8704 7.8704 7.9582 7.9582 8.4345 8.4345 9.0771 9.0771 9.7272 9.7272 10.5468 10.5468 10.9222 10.9222 11.3401 11.3401 11.4873 11.4873 11.5420 11.5420 k = 0.0000 0.0000 0.2829 ( 5283 PWs) bands (ev): -31.8969 -31.8969 -31.8953 -31.8953 -13.1955 -13.1955 -13.1810 -13.1810 -12.8416 -12.8416 -12.8220 -12.8220 -12.7836 -12.7836 -12.7812 -12.7812 -2.6363 -2.6363 -1.6499 -1.6499 1.7003 1.7003 2.4828 2.4828 4.4524 4.4524 4.9060 4.9060 5.1826 5.1826 5.9573 5.9573 6.1374 6.1374 6.2519 6.2519 6.6087 6.6087 6.7592 6.7592 6.8524 6.8524 7.0800 7.0800 7.2220 7.2220 7.6296 7.6296 7.8554 7.8554 7.9546 7.9546 8.4332 8.4332 9.0382 9.0382 9.8002 9.8002 10.3896 10.3896 10.9806 10.9806 11.3972 11.3972 11.5153 11.5153 11.5804 11.5804 k = 0.0000 0.0000 0.2546 ( 5285 PWs) bands (ev): -31.8970 -31.8970 -31.8954 -31.8954 -13.1953 -13.1953 -13.1806 -13.1806 -12.8416 -12.8416 -12.8219 -12.8219 -12.7826 -12.7826 -12.7800 -12.7800 -2.6637 -2.6637 -1.6754 -1.6754 1.6978 1.6978 2.5574 2.5574 4.4794 4.4794 4.8896 4.8896 5.1684 5.1684 5.9555 5.9555 6.1960 6.1960 6.2663 6.2663 6.6156 6.6156 6.7670 6.7670 6.8581 6.8581 7.0812 7.0812 7.2044 7.2044 7.6717 7.6717 7.8422 7.8422 7.9515 7.9515 8.4326 8.4326 8.9968 8.9968 9.8637 9.8637 10.2352 10.2352 11.0473 11.0473 11.4537 11.4537 11.5086 11.5086 11.5441 11.5441 k = 0.0000 0.0000 0.2263 ( 5277 PWs) bands (ev): -31.8971 -31.8971 -31.8955 -31.8955 -13.1951 -13.1951 -13.1801 -13.1801 -12.8417 -12.8417 -12.8219 -12.8219 -12.7816 -12.7816 -12.7788 -12.7788 -2.6883 -2.6883 -1.6982 -1.6982 1.6941 1.6941 2.6266 2.6266 4.5019 4.5019 4.8748 4.8748 5.1538 5.1538 5.9536 5.9536 6.2303 6.2303 6.3127 6.3127 6.6214 6.6214 6.7743 6.7743 6.8639 6.8639 7.0823 7.0823 7.1879 7.1879 7.7113 7.7113 7.8318 7.8318 7.9489 7.9489 8.4332 8.4332 8.9526 8.9526 9.9172 9.9172 10.0862 10.0862 11.1230 11.1230 11.4332 11.4332 11.5090 11.5090 11.5678 11.5678 k = 0.0000 0.0000 0.1980 ( 5277 PWs) bands (ev): -31.8971 -31.8971 -31.8955 -31.8955 -13.1950 -13.1950 -13.1798 -13.1798 -12.8417 -12.8417 -12.8218 -12.8218 -12.7807 -12.7807 -12.7778 -12.7778 -2.7099 -2.7099 -1.7183 -1.7183 1.6898 1.6898 2.6897 2.6897 4.5201 4.5201 4.8617 4.8617 5.1393 5.1393 5.9516 5.9516 6.2403 6.2403 6.3887 6.3887 6.6262 6.6262 6.7810 6.7810 6.8696 6.8696 7.0834 7.0834 7.1726 7.1726 7.7449 7.7449 7.8267 7.8267 7.9468 7.9468 8.4355 8.4355 8.9058 8.9058 9.9430 9.9430 9.9627 9.9627 11.2071 11.2071 11.3621 11.3621 11.5623 11.5623 11.5906 11.5906 k = 0.0000 0.0000 0.1697 ( 5267 PWs) bands (ev): -31.8972 -31.8972 -31.8956 -31.8956 -13.1948 -13.1948 -13.1795 -13.1795 -12.8418 -12.8418 -12.8218 -12.8218 -12.7799 -12.7799 -12.7769 -12.7769 -2.7287 -2.7287 -1.7357 -1.7357 1.6853 1.6853 2.7461 2.7461 4.5346 4.5346 4.8502 4.8502 5.1254 5.1254 5.9498 5.9498 6.2442 6.2442 6.4729 6.4729 6.6302 6.6302 6.7870 6.7870 6.8749 6.8749 7.0845 7.0845 7.1587 7.1587 7.7654 7.7654 7.8326 7.8326 7.9450 7.9450 8.4400 8.4400 8.8568 8.8568 9.8138 9.8138 9.9956 9.9956 11.2907 11.2907 11.3056 11.3056 11.6098 11.6098 11.6143 11.6143 k = 0.0000 0.0000 0.1415 ( 5269 PWs) bands (ev): -31.8973 -31.8973 -31.8956 -31.8956 -13.1947 -13.1947 -13.1792 -13.1792 -12.8419 -12.8419 -12.8218 -12.8218 -12.7792 -12.7792 -12.7760 -12.7760 -2.7446 -2.7446 -1.7505 -1.7505 1.6810 1.6810 2.7950 2.7950 4.5460 4.5460 4.8405 4.8405 5.1126 5.1126 5.9480 5.9480 6.2464 6.2464 6.5577 6.5577 6.6336 6.6336 6.7923 6.7923 6.8797 6.8797 7.0857 7.0857 7.1463 7.1463 7.7704 7.7704 7.8505 7.8505 7.9436 7.9436 8.4477 8.4477 8.8060 8.8060 9.6965 9.6965 10.0220 10.0220 11.2399 11.2399 11.3965 11.3965 11.6296 11.6296 11.6596 11.6596 k = 0.0000 0.0000 0.1132 ( 5271 PWs) bands (ev): -31.8973 -31.8973 -31.8957 -31.8957 -13.1947 -13.1947 -13.1790 -13.1790 -12.8419 -12.8419 -12.8218 -12.8218 -12.7786 -12.7786 -12.7754 -12.7754 -2.7577 -2.7577 -1.7626 -1.7626 1.6771 1.6771 2.8359 2.8359 4.5547 4.5547 4.8325 4.8325 5.1014 5.1014 5.9464 5.9464 6.2477 6.2477 6.6311 6.6311 6.6430 6.6430 6.7969 6.7969 6.8838 6.8838 7.0870 7.0870 7.1357 7.1357 7.7682 7.7682 7.8711 7.8711 7.9424 7.9424 8.4596 8.4596 8.7545 8.7545 9.5953 9.5953 10.0416 10.0416 11.1923 11.1923 11.4952 11.4952 11.6466 11.6466 11.7008 11.7008 k = 0.0000 0.0000 0.0849 ( 5269 PWs) bands (ev): -31.8974 -31.8974 -31.8957 -31.8957 -13.1946 -13.1946 -13.1788 -13.1788 -12.8420 -12.8420 -12.8218 -12.8218 -12.7782 -12.7782 -12.7748 -12.7748 -2.7678 -2.7678 -1.7720 -1.7720 1.6739 1.6739 2.8682 2.8682 4.5610 4.5610 4.8262 4.8262 5.0922 5.0922 5.9451 5.9451 6.2486 6.2486 6.6371 6.6371 6.7097 6.7097 6.8006 6.8006 6.8872 6.8872 7.0884 7.0884 7.1269 7.1269 7.7643 7.7643 7.8881 7.8881 7.9413 7.9413 8.4768 8.4768 8.7036 8.7036 9.5131 9.5131 10.0557 10.0557 11.1544 11.1544 11.5887 11.5887 11.6655 11.6655 11.7353 11.7353 k = 0.0000 0.0000 0.0566 ( 5267 PWs) bands (ev): -31.8974 -31.8974 -31.8957 -31.8957 -13.1945 -13.1945 -13.1787 -13.1787 -12.8420 -12.8420 -12.8217 -12.8217 -12.7779 -12.7779 -12.7745 -12.7745 -2.7751 -2.7751 -1.7787 -1.7787 1.6715 1.6715 2.8917 2.8917 4.5653 4.5653 4.8218 4.8218 5.0853 5.0853 5.9441 5.9441 6.2491 6.2491 6.6386 6.6386 6.7652 6.7652 6.8035 6.8035 6.8897 6.8897 7.0899 7.0899 7.1202 7.1202 7.7608 7.7608 7.8998 7.8998 7.9401 7.9401 8.5000 8.5000 8.6549 8.6549 9.4524 9.4524 10.0650 10.0650 11.1269 11.1269 11.6458 11.6458 11.7119 11.7119 11.7616 11.7616 k = 0.0000 0.0000 0.0283 ( 5267 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1786 -13.1786 -12.8420 -12.8420 -12.8217 -12.8217 -12.7777 -12.7777 -12.7742 -12.7742 -2.7794 -2.7794 -1.7827 -1.7827 1.6700 1.6700 2.9059 2.9059 4.5678 4.5678 4.8191 4.8191 5.0811 5.0811 5.9434 5.9434 6.2494 6.2494 6.6394 6.6394 6.7994 6.7994 6.8069 6.8069 6.8912 6.8912 7.0912 7.0912 7.1158 7.1158 7.7585 7.7585 7.9064 7.9064 7.9389 7.9389 8.5288 8.5288 8.6101 8.6101 9.4151 9.4151 10.0704 10.0704 11.1103 11.1103 11.6599 11.6599 11.7751 11.7751 11.7846 11.7846 k = 0.0000 0.0000 0.0000 ( 5267 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1785 -13.1785 -12.8420 -12.8420 -12.8217 -12.8217 -12.7777 -12.7777 -12.7741 -12.7741 -2.7809 -2.7809 -1.7841 -1.7841 1.6695 1.6695 2.9106 2.9106 4.5686 4.5686 4.8182 4.8182 5.0797 5.0797 5.9432 5.9432 6.2495 6.2495 6.6397 6.6397 6.8042 6.8042 6.8150 6.8150 6.8918 6.8918 7.0917 7.0917 7.1143 7.1143 7.7576 7.7576 7.9085 7.9085 7.9384 7.9384 8.5541 8.5541 8.5795 8.5795 9.4025 9.4025 10.0721 10.0721 11.1047 11.1047 11.6630 11.6630 11.7826 11.7826 11.8162 11.8162 k = 0.0000 0.0000 0.0000 ( 5267 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1785 -13.1785 -12.8420 -12.8420 -12.8217 -12.8217 -12.7777 -12.7777 -12.7741 -12.7741 -2.7809 -2.7809 -1.7841 -1.7841 1.6695 1.6695 2.9106 2.9106 4.5686 4.5686 4.8182 4.8182 5.0797 5.0797 5.9432 5.9432 6.2495 6.2495 6.6397 6.6397 6.8042 6.8042 6.8150 6.8150 6.8918 6.8918 7.0917 7.0917 7.1143 7.1143 7.7576 7.7576 7.9085 7.9085 7.9384 7.9384 8.5541 8.5541 8.5795 8.5795 9.4025 9.4025 10.0721 10.0721 11.1047 11.1047 11.6630 11.6630 11.7826 11.7826 11.8162 11.8162 k =-0.0263 0.0064 0.0000 ( 5271 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1786 -13.1786 -12.8420 -12.8420 -12.8218 -12.8218 -12.7777 -12.7777 -12.7742 -12.7742 -2.7802 -2.7802 -1.7854 -1.7854 1.6723 1.6723 2.9106 2.9106 4.5644 4.5644 4.8181 4.8181 5.0798 5.0798 5.9432 5.9432 6.2470 6.2470 6.6400 6.6400 6.7777 6.7777 6.8427 6.8427 6.8918 6.8918 7.0918 7.0918 7.1099 7.1099 7.7498 7.7498 7.9169 7.9169 7.9498 7.9498 8.5523 8.5523 8.5796 8.5796 9.4031 9.4031 10.0732 10.0732 11.1035 11.1035 11.6496 11.6496 11.7912 11.7912 11.8205 11.8205 k =-0.0526 0.0128 0.0000 ( 5291 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1945 -13.1945 -13.1787 -13.1787 -12.8420 -12.8420 -12.8219 -12.8219 -12.7777 -12.7777 -12.7742 -12.7742 -2.7782 -2.7782 -1.7895 -1.7895 1.6809 1.6809 2.9106 2.9106 4.5519 4.5519 4.8179 4.8179 5.0801 5.0801 5.9432 5.9432 6.2399 6.2399 6.6405 6.6405 6.7484 6.7484 6.8753 6.8753 6.8924 6.8924 7.0918 7.0918 7.0981 7.0981 7.7284 7.7284 7.9449 7.9449 7.9778 7.9778 8.5470 8.5470 8.5798 8.5798 9.4050 9.4050 10.0766 10.0766 11.1001 11.1001 11.6180 11.6180 11.8072 11.8072 11.8345 11.8345 k =-0.0789 0.0192 0.0000 ( 5293 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1944 -13.1944 -13.1787 -13.1787 -12.8419 -12.8419 -12.8220 -12.8220 -12.7776 -12.7776 -12.7742 -12.7742 -2.7750 -2.7750 -1.7961 -1.7961 1.6949 1.6949 2.9106 2.9106 4.5312 4.5312 4.8176 4.8176 5.0806 5.0806 5.9432 5.9432 6.2286 6.2286 6.6404 6.6404 6.7222 6.7222 6.8905 6.8905 6.9106 6.9106 7.0799 7.0799 7.0936 7.0936 7.6986 7.6986 7.9883 7.9883 8.0181 8.0181 8.5383 8.5383 8.5802 8.5802 9.4082 9.4082 10.0821 10.0821 11.0952 11.0952 11.5780 11.5780 11.8226 11.8226 11.8562 11.8562 k =-0.1053 0.0256 0.0000 ( 5279 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1942 -13.1942 -13.1788 -13.1788 -12.8417 -12.8417 -12.8221 -12.8221 -12.7776 -12.7776 -12.7742 -12.7742 -2.7705 -2.7705 -1.8052 -1.8052 1.7143 1.7143 2.9106 2.9106 4.5028 4.5028 4.8173 4.8173 5.0813 5.0813 5.9431 5.9431 6.2139 6.2139 6.6367 6.6367 6.7024 6.7024 6.8910 6.8910 6.9428 6.9428 7.0611 7.0611 7.0950 7.0950 7.6646 7.6646 8.0317 8.0317 8.0779 8.0779 8.5264 8.5264 8.5808 8.5808 9.4130 9.4130 10.0896 10.0896 11.0895 11.0895 11.5343 11.5343 11.8393 11.8393 11.8776 11.8776 k =-0.1316 0.0320 0.0000 ( 5287 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1941 -13.1941 -13.1790 -13.1790 -12.8415 -12.8415 -12.8223 -12.8223 -12.7776 -12.7776 -12.7743 -12.7743 -2.7648 -2.7648 -1.8165 -1.8165 1.7387 1.7387 2.9106 2.9106 4.4673 4.4673 4.8168 4.8168 5.0822 5.0822 5.9431 5.9431 6.1965 6.1965 6.6254 6.6254 6.6928 6.6928 6.8910 6.8910 6.9718 6.9718 7.0446 7.0446 7.0977 7.0977 7.6285 7.6285 8.0706 8.0706 8.1547 8.1547 8.5115 8.5115 8.5815 8.5815 9.4199 9.4199 10.0988 10.0988 11.0839 11.0839 11.4887 11.4887 11.8504 11.8504 11.8585 11.8585 k =-0.1579 0.0384 0.0000 ( 5279 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1939 -13.1939 -13.1791 -13.1791 -12.8413 -12.8413 -12.8226 -12.8226 -12.7775 -12.7775 -12.7743 -12.7743 -2.7581 -2.7581 -1.8298 -1.8298 1.7676 1.7676 2.9107 2.9107 4.4252 4.4252 4.8163 4.8163 5.0832 5.0832 5.9430 5.9430 6.1777 6.1777 6.6073 6.6073 6.6930 6.6930 6.8910 6.8910 6.9884 6.9884 7.0396 7.0396 7.1029 7.1029 7.5918 7.5918 8.1078 8.1078 8.2412 8.2412 8.4940 8.4940 8.5823 8.5823 9.4293 9.4293 10.1095 10.1095 11.0794 11.0794 11.4424 11.4424 11.7986 11.7986 11.8793 11.8793 k =-0.1842 0.0448 0.0000 ( 5285 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1937 -13.1937 -13.1793 -13.1793 -12.8411 -12.8411 -12.8228 -12.8228 -12.7775 -12.7775 -12.7744 -12.7744 -2.7504 -2.7504 -1.8447 -1.8447 1.8006 1.8006 2.9107 2.9107 4.3776 4.3776 4.8157 4.8157 5.0844 5.0844 5.9429 5.9429 6.1581 6.1581 6.5862 6.5862 6.6988 6.6988 6.8910 6.8910 6.9842 6.9842 7.0521 7.0521 7.1132 7.1132 7.5550 7.5550 8.1438 8.1438 8.3324 8.3324 8.4743 8.4743 8.5833 8.5833 9.4419 9.4419 10.1212 10.1212 11.0771 11.0771 11.3963 11.3963 11.7379 11.7379 11.9013 11.9013 k =-0.2105 0.0511 0.0000 ( 5277 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1935 -13.1935 -13.1795 -13.1795 -12.8408 -12.8408 -12.8231 -12.8231 -12.7775 -12.7775 -12.7744 -12.7744 -2.7419 -2.7419 -1.8609 -1.8609 1.8370 1.8370 2.9107 2.9107 4.3253 4.3253 4.8151 4.8151 5.0856 5.0856 5.9428 5.9428 6.1387 6.1387 6.5648 6.5648 6.7078 6.7078 6.8909 6.8909 6.9724 6.9724 7.0656 7.0656 7.1322 7.1322 7.5186 7.5186 8.1785 8.1785 8.4235 8.4235 8.4542 8.4542 8.5846 8.5846 9.4585 9.4585 10.1337 10.1337 11.0778 11.0778 11.3512 11.3512 11.6706 11.6706 11.9226 11.9227 k =-0.2368 0.0575 0.0000 ( 5279 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1933 -13.1933 -13.1797 -13.1797 -12.8405 -12.8405 -12.8234 -12.8234 -12.7775 -12.7775 -12.7744 -12.7744 -2.7327 -2.7327 -1.8780 -1.8780 1.8762 1.8762 2.9107 2.9107 4.2697 4.2697 4.8144 4.8144 5.0869 5.0869 5.9426 5.9426 6.1201 6.1201 6.5443 6.5443 6.7187 6.7187 6.8908 6.8908 6.9602 6.9602 7.0734 7.0734 7.1589 7.1589 7.4831 7.4831 8.2115 8.2115 8.4282 8.4282 8.5168 8.5168 8.5866 8.5866 9.4802 9.4802 10.1466 10.1466 11.0821 11.0821 11.3077 11.3077 11.5985 11.5985 11.9412 11.9412 k =-0.2632 0.0639 0.0000 ( 5271 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1930 -13.1930 -13.1799 -13.1799 -12.8401 -12.8401 -12.8238 -12.8238 -12.7774 -12.7774 -12.7745 -12.7745 -2.7231 -2.7231 -1.8955 -1.8955 1.9173 1.9173 2.9107 2.9107 4.2120 4.2120 4.8137 4.8137 5.0882 5.0882 5.9424 5.9424 6.1027 6.1027 6.5251 6.5251 6.7309 6.7309 6.8907 6.8907 6.9492 6.9492 7.0777 7.0777 7.1892 7.1892 7.4487 7.4487 8.2427 8.2427 8.4044 8.4044 8.5805 8.5805 8.6105 8.6105 9.5080 9.5080 10.1594 10.1594 11.0904 11.0904 11.2663 11.2663 11.5232 11.5232 11.9548 11.9548 k =-0.2895 0.0703 0.0000 ( 5274 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1928 -13.1928 -13.1802 -13.1802 -12.8398 -12.8398 -12.8241 -12.8241 -12.7774 -12.7774 -12.7745 -12.7745 -2.7132 -2.7132 -1.9131 -1.9131 1.9594 1.9594 2.9108 2.9108 4.1535 4.1535 4.8130 4.8130 5.0895 5.0895 5.9422 5.9422 6.0868 6.0868 6.5074 6.5074 6.7440 6.7440 6.8906 6.8906 6.9397 6.9397 7.0802 7.0802 7.2202 7.2202 7.4158 7.4158 8.2715 8.2715 8.3802 8.3802 8.5853 8.5853 8.6862 8.6862 9.5427 9.5427 10.1718 10.1718 11.1030 11.1030 11.2276 11.2276 11.4462 11.4462 11.9635 11.9640 k =-0.3158 0.0767 0.0000 ( 5280 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1925 -13.1925 -13.1804 -13.1804 -12.8395 -12.8395 -12.8245 -12.8245 -12.7773 -12.7773 -12.7746 -12.7746 -2.7034 -2.7034 -1.9303 -1.9303 2.0014 2.0014 2.9108 2.9108 4.0959 4.0959 4.8124 4.8124 5.0908 5.0908 5.9419 5.9419 6.0727 6.0727 6.4916 6.4916 6.7575 6.7575 6.8905 6.8905 6.9316 6.9316 7.0820 7.0820 7.2506 7.2506 7.3847 7.3847 8.2974 8.2974 8.3566 8.3566 8.5867 8.5867 8.7558 8.7558 9.5846 9.5846 10.1835 10.1835 11.1196 11.1196 11.1922 11.1922 11.3690 11.3690 11.9684 11.9685 k =-0.3421 0.0831 0.0000 ( 5284 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1923 -13.1923 -13.1807 -13.1807 -12.8392 -12.8392 -12.8248 -12.8248 -12.7773 -12.7773 -12.7747 -12.7747 -2.6940 -2.6940 -1.9465 -1.9465 2.0422 2.0422 2.9108 2.9108 4.0408 4.0408 4.8118 4.8118 5.0920 5.0920 5.9417 5.9417 6.0606 6.0606 6.4777 6.4777 6.7710 6.7710 6.8904 6.8904 6.9249 6.9249 7.0834 7.0834 7.2792 7.2792 7.3559 7.3559 8.3165 8.3165 8.3380 8.3380 8.5877 8.5877 8.8149 8.8149 9.6329 9.6329 10.1945 10.1945 11.1393 11.1393 11.1605 11.1605 11.2935 11.2935 11.9714 11.9716 k =-0.3684 0.0895 0.0000 ( 5284 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1921 -13.1921 -13.1809 -13.1809 -12.8389 -12.8389 -12.8251 -12.8251 -12.7772 -12.7772 -12.7747 -12.7747 -2.6852 -2.6852 -1.9614 -1.9614 2.0804 2.0804 2.9108 2.9108 3.9898 3.9898 4.8113 4.8113 5.0930 5.0930 5.9415 5.9415 6.0503 6.0503 6.4658 6.4658 6.7841 6.7841 6.8902 6.8902 6.9194 6.9194 7.0845 7.0845 7.3052 7.3052 7.3299 7.3299 8.3072 8.3072 8.3463 8.3463 8.5885 8.5885 8.8626 8.8626 9.6855 9.6855 10.2045 10.2045 11.1324 11.1324 11.1599 11.1599 11.2232 11.2232 11.9733 11.9739 k =-0.3947 0.0959 0.0000 ( 5284 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1919 -13.1919 -13.1810 -13.1810 -12.8386 -12.8386 -12.8254 -12.8254 -12.7772 -12.7772 -12.7748 -12.7748 -2.6773 -2.6773 -1.9743 -1.9743 2.1145 2.1145 2.9108 2.9108 3.9448 3.9448 4.8108 4.8108 5.0940 5.0940 5.9412 5.9412 6.0420 6.0420 6.4559 6.4559 6.7961 6.7961 6.8901 6.8901 6.9150 6.9150 7.0856 7.0856 7.3069 7.3069 7.3281 7.3281 8.2892 8.2892 8.3624 8.3624 8.5892 8.5892 8.8994 8.8994 9.7389 9.7389 10.2136 10.2136 11.1093 11.1093 11.1450 11.1450 11.1945 11.1945 11.9736 11.9742 k =-0.4211 0.1023 0.0000 ( 5284 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1917 -13.1917 -13.1812 -13.1812 -12.8384 -12.8384 -12.8256 -12.8256 -12.7772 -12.7772 -12.7748 -12.7748 -2.6708 -2.6708 -1.9850 -1.9850 2.1432 2.1432 2.9108 2.9108 3.9074 3.9074 4.8104 4.8104 5.0947 5.0947 5.9410 5.9410 6.0356 6.0356 6.4482 6.4482 6.8065 6.8065 6.8900 6.8900 6.9117 6.9117 7.0865 7.0865 7.2881 7.2881 7.3467 7.3467 8.2736 8.2736 8.3758 8.3758 8.5898 8.5898 8.9263 8.9263 9.7883 9.7883 10.2216 10.2216 11.0894 11.0894 11.0915 11.0915 11.2132 11.2132 11.9740 11.9748 k =-0.4474 0.1087 0.0000 ( 5292 PWs) bands (ev): -31.8974 -31.8974 -31.8959 -31.8959 -13.1916 -13.1916 -13.1813 -13.1813 -12.8382 -12.8382 -12.8258 -12.8258 -12.7772 -12.7772 -12.7748 -12.7748 -2.6659 -2.6659 -1.9929 -1.9929 2.1648 2.1648 2.9108 2.9108 3.8793 3.8793 4.8102 4.8102 5.0953 5.0953 5.9408 5.9408 6.0310 6.0310 6.4426 6.4426 6.8146 6.8146 6.8898 6.8898 6.9093 6.9093 7.0872 7.0872 7.2740 7.2740 7.3606 7.3606 8.2617 8.2617 8.3857 8.3857 8.5902 8.5902 8.9445 8.9445 9.8288 9.8288 10.2282 10.2282 11.0441 11.0441 11.0776 11.0776 11.2313 11.2313 11.9737 11.9754 k =-0.4737 0.1151 0.0000 ( 5288 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1915 -13.1915 -13.1814 -13.1814 -12.8381 -12.8381 -12.8260 -12.8260 -12.7771 -12.7771 -12.7748 -12.7748 -2.6629 -2.6629 -1.9978 -1.9978 2.1784 2.1784 2.9108 2.9108 3.8619 3.8619 4.8099 4.8099 5.0957 5.0957 5.9408 5.9408 6.0282 6.0282 6.4394 6.4394 6.8197 6.8197 6.8898 6.8898 6.9079 6.9079 7.0877 7.0877 7.2651 7.2651 7.3693 7.3693 8.2544 8.2544 8.3916 8.3916 8.5904 8.5904 8.9550 8.9550 9.8554 9.8554 10.2328 10.2328 11.0141 11.0141 11.0695 11.0695 11.2437 11.2437 11.9735 11.9741 k =-0.5000 0.1215 0.0000 ( 5292 PWs) bands (ev): -31.8974 -31.8974 -31.8959 -31.8959 -13.1915 -13.1915 -13.1815 -13.1815 -12.8381 -12.8381 -12.8260 -12.8260 -12.7771 -12.7771 -12.7748 -12.7748 -2.6618 -2.6618 -1.9994 -1.9994 2.1830 2.1830 2.9108 2.9108 3.8560 3.8560 4.8099 4.8099 5.0957 5.0957 5.9407 5.9407 6.0273 6.0273 6.4383 6.4383 6.8215 6.8215 6.8898 6.8898 6.9074 6.9074 7.0879 7.0879 7.2621 7.2621 7.3722 7.3722 8.2518 8.2518 8.3936 8.3936 8.5905 8.5905 8.9585 8.9585 9.8646 9.8646 10.2344 10.2344 11.0036 11.0036 11.0667 11.0667 11.2481 11.2481 11.9748 11.9781 k =-0.5000 0.1215 0.0000 ( 5292 PWs) bands (ev): -31.8974 -31.8974 -31.8959 -31.8959 -13.1915 -13.1915 -13.1815 -13.1815 -12.8381 -12.8381 -12.8260 -12.8260 -12.7771 -12.7771 -12.7748 -12.7748 -2.6618 -2.6618 -1.9994 -1.9994 2.1830 2.1830 2.9108 2.9108 3.8560 3.8560 4.8099 4.8099 5.0957 5.0957 5.9407 5.9407 6.0273 6.0273 6.4383 6.4383 6.8215 6.8215 6.8898 6.8898 6.9074 6.9074 7.0879 7.0879 7.2621 7.2621 7.3722 7.3722 8.2518 8.2518 8.3936 8.3936 8.5905 8.5905 8.9585 8.9585 9.8646 9.8646 10.2344 10.2344 11.0036 11.0036 11.0667 11.0667 11.2481 11.2481 11.9741 11.9755 k =-0.4935 0.1484-0.0000 ( 5298 PWs) bands (ev): -31.8974 -31.8974 -31.8959 -31.8959 -13.1915 -13.1915 -13.1815 -13.1815 -12.8381 -12.8381 -12.8260 -12.8260 -12.7772 -12.7772 -12.7749 -12.7749 -2.6605 -2.6605 -1.9988 -1.9988 2.1838 2.1838 2.9041 2.9041 3.8566 3.8566 4.8140 4.8140 5.0965 5.0965 5.9409 5.9409 6.0281 6.0281 6.4380 6.4380 6.8204 6.8204 6.8890 6.8890 6.9083 6.9083 7.0880 7.0880 7.2553 7.2553 7.3726 7.3726 8.2521 8.2521 8.3833 8.3833 8.6012 8.6012 8.9592 8.9592 9.8655 9.8655 10.2423 10.2423 10.9148 10.9148 11.1515 11.1515 11.2505 11.2505 11.9598 11.9612 k =-0.4869 0.1753-0.0000 ( 5282 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1915 -13.1915 -13.1815 -13.1815 -12.8382 -12.8382 -12.8261 -12.8261 -12.7772 -12.7772 -12.7749 -12.7749 -2.6565 -2.6565 -1.9969 -1.9969 2.1861 2.1861 2.8839 2.8839 3.8584 3.8584 4.8261 4.8261 5.0987 5.0987 5.9414 5.9414 6.0307 6.0307 6.4373 6.4373 6.8172 6.8172 6.8869 6.8869 6.9109 6.9109 7.0883 7.0883 7.2354 7.2354 7.3737 7.3737 8.2530 8.2530 8.3570 8.3570 8.6289 8.6289 8.9614 8.9614 9.8681 9.8681 10.2656 10.2656 10.7973 10.7973 11.2560 11.2560 11.2588 11.2588 11.9205 11.9205 k =-0.4804 0.2022-0.0000 ( 5278 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1916 -13.1916 -13.1816 -13.1816 -12.8383 -12.8383 -12.8262 -12.8262 -12.7773 -12.7773 -12.7750 -12.7750 -2.6497 -2.6497 -1.9937 -1.9937 2.1900 2.1900 2.8510 2.8510 3.8618 3.8618 4.8456 4.8456 5.1025 5.1025 5.9421 5.9421 6.0349 6.0349 6.4361 6.4361 6.8121 6.8121 6.8833 6.8833 6.9148 6.9148 7.0886 7.0886 7.2032 7.2032 7.3756 7.3756 8.2543 8.2543 8.3220 8.3220 8.6660 8.6660 8.9651 8.9651 9.8724 9.8724 10.3034 10.3034 10.6753 10.6753 11.2697 11.2697 11.3594 11.3594 11.8630 11.8630 k =-0.4739 0.2291-0.0000 ( 5286 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1917 -13.1917 -13.1818 -13.1818 -12.8384 -12.8384 -12.8264 -12.8264 -12.7775 -12.7775 -12.7752 -12.7752 -2.6403 -2.6403 -1.9893 -1.9893 2.1954 2.1954 2.8060 2.8060 3.8668 3.8668 4.8714 4.8714 5.1077 5.1077 5.9432 5.9432 6.0407 6.0407 6.4344 6.4344 6.8056 6.8056 6.8784 6.8784 6.9197 6.9197 7.0888 7.0888 7.1603 7.1603 7.3781 7.3781 8.2548 8.2548 8.2839 8.2839 8.7084 8.7084 8.9701 8.9701 9.8783 9.8783 10.3545 10.3545 10.5505 10.5505 11.2861 11.2861 11.4571 11.4571 11.7942 11.7942 k =-0.4673 0.2560-0.0000 ( 5286 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1919 -13.1919 -13.1819 -13.1819 -12.8386 -12.8386 -12.8267 -12.8267 -12.7778 -12.7778 -12.7754 -12.7754 -2.6283 -2.6283 -1.9837 -1.9837 2.2024 2.2024 2.7499 2.7499 3.8738 3.8738 4.9025 4.9025 5.1144 5.1144 5.9444 5.9444 6.0479 6.0479 6.4322 6.4322 6.7980 6.7980 6.8722 6.8722 6.9248 6.9248 7.0870 7.0870 7.1106 7.1106 7.3812 7.3812 8.2349 8.2349 8.2645 8.2645 8.7536 8.7536 8.9763 8.9763 9.8856 9.8856 10.4154 10.4154 10.4256 10.4256 11.3066 11.3066 11.5497 11.5497 11.7191 11.7191 k =-0.4608 0.2829-0.0000 ( 5290 PWs) bands (ev): -31.8972 -31.8972 -31.8957 -31.8957 -13.1920 -13.1920 -13.1822 -13.1822 -12.8388 -12.8388 -12.8270 -12.8270 -12.7780 -12.7780 -12.7756 -12.7756 -2.6135 -2.6135 -1.9769 -1.9769 2.2108 2.2108 2.6840 2.6840 3.8829 3.8829 4.9377 4.9377 5.1225 5.1225 5.9459 5.9459 6.0562 6.0562 6.4296 6.4296 6.7895 6.7895 6.8647 6.8647 6.9291 6.9291 7.0465 7.0465 7.0932 7.0932 7.3849 7.3849 8.1928 8.1928 8.2666 8.2666 8.8007 8.8007 8.9834 8.9834 9.8943 9.8943 10.2954 10.2954 10.4905 10.4905 11.3308 11.3308 11.6276 11.6276 11.6500 11.6500 k =-0.4543 0.3098-0.0000 ( 5294 PWs) bands (ev): -31.8972 -31.8972 -31.8957 -31.8957 -13.1922 -13.1922 -13.1824 -13.1824 -12.8391 -12.8391 -12.8273 -12.8273 -12.7784 -12.7784 -12.7758 -12.7758 -2.5961 -2.5961 -1.9689 -1.9689 2.2206 2.2206 2.6093 2.6093 3.8943 3.8943 4.9761 4.9761 5.1322 5.1322 5.9474 5.9474 6.0654 6.0654 6.4264 6.4264 6.7802 6.7802 6.8559 6.8559 6.9277 6.9277 6.9889 6.9889 7.0933 7.0933 7.3890 7.3890 8.1485 8.1485 8.2710 8.2710 8.8487 8.8487 8.9911 8.9911 9.9042 9.9042 10.1670 10.1670 10.5717 10.5717 11.3581 11.3581 11.5574 11.5574 11.7223 11.7223 k =-0.4477 0.3366-0.0000 ( 5292 PWs) bands (ev): -31.8972 -31.8972 -31.8956 -31.8956 -13.1924 -13.1924 -13.1827 -13.1827 -12.8394 -12.8394 -12.8278 -12.8278 -12.7787 -12.7787 -12.7761 -12.7761 -2.5760 -2.5760 -1.9598 -1.9598 2.2319 2.2319 2.5270 2.5270 3.9079 3.9079 5.0166 5.0166 5.1433 5.1433 5.9491 5.9491 6.0751 6.0751 6.4227 6.4227 6.7701 6.7701 6.8451 6.8451 6.8931 6.8931 6.9609 6.9609 7.0942 7.0942 7.3935 7.3935 8.1039 8.1039 8.2766 8.2766 8.8971 8.8971 8.9988 8.9988 9.9152 9.9152 10.0394 10.0394 10.6596 10.6596 11.3870 11.3870 11.4770 11.4770 11.7989 11.7989 k =-0.4412 0.3635-0.0000 ( 5290 PWs) bands (ev): -31.8971 -31.8971 -31.8956 -31.8956 -13.1927 -13.1927 -13.1831 -13.1831 -12.8397 -12.8397 -12.8282 -12.8282 -12.7790 -12.7790 -12.7764 -12.7764 -2.5532 -2.5532 -1.9496 -1.9496 2.2445 2.2445 2.4381 2.4381 3.9239 3.9239 5.0584 5.0584 5.1560 5.1560 5.9507 5.9507 6.0849 6.0849 6.4185 6.4185 6.7582 6.7582 6.8173 6.8173 6.8445 6.8445 6.9615 6.9615 7.0953 7.0953 7.3982 7.3982 8.0593 8.0593 8.2832 8.2832 8.9454 8.9454 9.0057 9.0057 9.9127 9.9127 9.9284 9.9284 10.7525 10.7525 11.3851 11.3851 11.4288 11.4288 11.8280 11.8280 k =-0.4347 0.3904-0.0000 ( 5286 PWs) bands (ev): -31.8970 -31.8970 -31.8955 -31.8955 -13.1930 -13.1930 -13.1834 -13.1834 -12.8401 -12.8401 -12.8287 -12.8287 -12.7794 -12.7794 -12.7767 -12.7767 -2.5278 -2.5278 -1.9384 -1.9384 2.2583 2.2583 2.3437 2.3437 3.9420 3.9420 5.1008 5.1008 5.1704 5.1704 5.9524 5.9524 6.0939 6.0939 6.4136 6.4136 6.7327 6.7327 6.7633 6.7633 6.8289 6.8289 6.9668 6.9668 7.0965 7.0965 7.4030 7.4030 8.0154 8.0154 8.2908 8.2908 8.9927 8.9927 9.0107 9.0107 9.7919 9.7919 9.9404 9.9404 10.8488 10.8488 11.3076 11.3076 11.4577 11.4577 11.8056 11.8057 k =-0.4281 0.4173-0.0000 ( 5282 PWs) bands (ev): -31.8970 -31.8970 -31.8955 -31.8955 -13.1933 -13.1933 -13.1838 -13.1838 -12.8406 -12.8406 -12.8293 -12.8293 -12.7798 -12.7798 -12.7770 -12.7770 -2.4997 -2.4997 -1.9263 -1.9263 2.2444 2.2444 2.2734 2.2734 3.9623 3.9623 5.1426 5.1426 5.1869 5.1869 5.9538 5.9538 6.1011 6.1011 6.4081 6.4081 6.6680 6.6680 6.7438 6.7438 6.8168 6.8168 6.9731 6.9731 7.0979 7.0979 7.4079 7.4079 7.9722 7.9722 8.2994 8.2994 9.0091 9.0091 9.0410 9.0410 9.6770 9.6770 9.9539 9.9539 10.9470 10.9470 11.2265 11.2265 11.4913 11.4913 11.7820 11.7820 k =-0.4216 0.4442-0.0000 ( 5288 PWs) bands (ev): -31.8969 -31.8969 -31.8954 -31.8954 -13.1936 -13.1936 -13.1842 -13.1842 -12.8410 -12.8410 -12.8300 -12.8300 -12.7803 -12.7803 -12.7773 -12.7773 -2.4690 -2.4690 -1.9132 -1.9132 2.1413 2.1413 2.2896 2.2896 3.9845 3.9845 5.1811 5.1811 5.2081 5.2081 5.9549 5.9549 6.1048 6.1048 6.4019 6.4019 6.5985 6.5985 6.7312 6.7312 6.8046 6.8046 6.9798 6.9798 7.0994 7.0994 7.4128 7.4128 7.9299 7.9299 8.3092 8.3092 9.0000 9.0000 9.0869 9.0869 9.5733 9.5733 9.9680 9.9680 11.0448 11.0448 11.1463 11.1463 11.5255 11.5255 11.7587 11.7587 k =-0.4151 0.4711-0.0000 ( 5304 PWs) bands (ev): -31.8968 -31.8968 -31.8953 -31.8953 -13.1939 -13.1939 -13.1847 -13.1847 -12.8416 -12.8416 -12.8307 -12.8307 -12.7807 -12.7807 -12.7777 -12.7777 -2.4356 -2.4356 -1.8994 -1.8994 2.0348 2.0348 2.3069 2.3069 4.0087 4.0087 5.2099 5.2099 5.2400 5.2400 5.9556 5.9556 6.1028 6.1028 6.3949 6.3949 6.5341 6.5341 6.7192 6.7192 6.7923 6.7923 6.9864 6.9864 7.1009 7.1009 7.4174 7.4174 7.8887 7.8887 8.3201 8.3201 8.9756 8.9756 9.1318 9.1318 9.4873 9.4873 9.9825 9.9825 11.0632 11.0632 11.1445 11.1445 11.5597 11.5597 11.7358 11.7358 k =-0.4085 0.4980-0.0000 ( 5294 PWs) bands (ev): -31.8968 -31.8968 -31.8953 -31.8953 -13.1943 -13.1943 -13.1852 -13.1852 -12.8421 -12.8421 -12.8315 -12.8315 -12.7811 -12.7811 -12.7780 -12.7780 -2.3996 -2.3996 -1.8848 -1.8848 1.9255 1.9255 2.3251 2.3251 4.0346 4.0346 5.2319 5.2319 5.2795 5.2795 5.9557 5.9557 6.0919 6.0919 6.3869 6.3869 6.4797 6.4797 6.7072 6.7072 6.7799 6.7799 6.9932 6.9932 7.1026 7.1026 7.4219 7.4219 7.8488 7.8488 8.3323 8.3323 8.9299 8.9299 9.1754 9.1754 9.4255 9.4255 9.9973 9.9973 10.9849 10.9849 11.2364 11.2364 11.5944 11.5944 11.7134 11.7134 k =-0.4020 0.5249-0.0000 ( 5292 PWs) bands (ev): -31.8967 -31.8967 -31.8952 -31.8952 -13.1947 -13.1947 -13.1857 -13.1857 -12.8427 -12.8427 -12.8322 -12.8322 -12.7815 -12.7815 -12.7782 -12.7782 -2.3611 -2.3611 -1.8695 -1.8695 1.8141 1.8141 2.3441 2.3441 4.0621 4.0621 5.2530 5.2530 5.3205 5.3205 5.9551 5.9551 6.0690 6.0690 6.3778 6.3778 6.4391 6.4391 6.6951 6.6951 6.7675 6.7675 6.9997 6.9997 7.1044 7.1044 7.4259 7.4259 7.8101 7.8101 8.3458 8.3458 8.8609 8.8609 9.2175 9.2175 9.3902 9.3902 10.0121 10.0121 10.9067 10.9067 11.3213 11.3213 11.6310 11.6310 11.6920 11.6920 k =-0.3954 0.5518-0.0000 ( 5302 PWs) bands (ev): -31.8966 -31.8966 -31.8951 -31.8951 -13.1951 -13.1951 -13.1863 -13.1863 -12.8433 -12.8433 -12.8330 -12.8330 -12.7819 -12.7819 -12.7786 -12.7786 -2.3199 -2.3199 -1.8537 -1.8537 1.7010 1.7010 2.3639 2.3639 4.0909 4.0909 5.2747 5.2747 5.3613 5.3613 5.9535 5.9535 6.0332 6.0332 6.3675 6.3675 6.4141 6.4141 6.6827 6.6827 6.7552 6.7552 7.0059 7.0059 7.1063 7.1063 7.4296 7.4296 7.7728 7.7728 8.3607 8.3607 8.7732 8.7732 9.2579 9.2579 9.3770 9.3770 10.0270 10.0270 10.8295 10.8295 11.3934 11.3934 11.6557 11.6557 11.6881 11.6881 k =-0.3889 0.5787-0.0000 ( 5306 PWs) bands (ev): -31.8965 -31.8965 -31.8950 -31.8950 -13.1955 -13.1955 -13.1868 -13.1868 -12.8439 -12.8439 -12.8339 -12.8339 -12.7824 -12.7824 -12.7788 -12.7788 -2.2761 -2.2761 -1.8374 -1.8374 1.5865 1.5865 2.3843 2.3843 4.1209 4.1209 5.2973 5.2973 5.4015 5.4015 5.9497 5.9497 5.9879 5.9879 6.3566 6.3566 6.4024 6.4024 6.6702 6.6702 6.7433 6.7433 7.0117 7.0117 7.1085 7.1085 7.4327 7.4327 7.7367 7.7367 8.3771 8.3771 8.6738 8.6738 9.2962 9.2962 9.3792 9.3792 10.0418 10.0418 10.7534 10.7534 11.4478 11.4478 11.6350 11.6350 11.7367 11.7367 k =-0.3824 0.6056-0.0000 ( 5306 PWs) bands (ev): -31.8965 -31.8965 -31.8949 -31.8949 -13.1959 -13.1959 -13.1874 -13.1874 -12.8446 -12.8446 -12.8347 -12.8347 -12.7827 -12.7827 -12.7791 -12.7791 -2.2298 -2.2298 -1.8208 -1.8208 1.4710 1.4710 2.4052 2.4052 4.1518 4.1518 5.3207 5.3207 5.4408 5.4408 5.9266 5.9266 5.9542 5.9542 6.3453 6.3453 6.4000 6.4000 6.6576 6.6576 6.7318 6.7318 7.0171 7.0171 7.1108 7.1108 7.4352 7.4352 7.7021 7.7021 8.3949 8.3949 8.5685 8.5685 9.3324 9.3324 9.3913 9.3913 10.0565 10.0565 10.6785 10.6785 11.4833 11.4833 11.6039 11.6039 11.7562 11.7562 k =-0.3758 0.6325-0.0000 ( 5302 PWs) bands (ev): -31.8964 -31.8964 -31.8949 -31.8949 -13.1964 -13.1964 -13.1879 -13.1879 -12.8453 -12.8453 -12.8356 -12.8356 -12.7831 -12.7831 -12.7793 -12.7793 -2.1808 -2.1808 -1.8038 -1.8038 1.3549 1.3549 2.4264 2.4264 4.1834 4.1834 5.3451 5.3451 5.4786 5.4786 5.8739 5.8739 5.9466 5.9466 6.3332 6.3332 6.4039 6.4039 6.6451 6.6451 6.7208 6.7208 7.0219 7.0219 7.1134 7.1134 7.4371 7.4371 7.6688 7.6688 8.4137 8.4137 8.4617 8.4617 9.3660 9.3660 9.4098 9.4098 10.0710 10.0710 10.6048 10.6048 11.5028 11.5028 11.5647 11.5647 11.7311 11.7311 k =-0.3693 0.6594-0.0000 ( 5296 PWs) bands (ev): -31.8963 -31.8963 -31.8948 -31.8948 -13.1968 -13.1968 -13.1885 -13.1885 -12.8460 -12.8460 -12.8365 -12.8365 -12.7834 -12.7834 -12.7795 -12.7795 -2.1294 -2.1294 -1.7868 -1.7868 1.2384 1.2384 2.4478 2.4478 4.2152 4.2152 5.3705 5.3705 5.5142 5.5142 5.8203 5.8203 5.9402 5.9402 6.3200 6.3200 6.4118 6.4118 6.6326 6.6326 6.7105 6.7105 7.0261 7.0261 7.1161 7.1161 7.4382 7.4382 7.6370 7.6370 8.3526 8.3526 8.4366 8.4366 9.3966 9.3966 9.4325 9.4325 10.0855 10.0855 10.5324 10.5324 11.5013 11.5013 11.5248 11.5248 11.7060 11.7060 k =-0.3628 0.6863-0.0000 ( 5300 PWs) bands (ev): -31.8962 -31.8962 -31.8947 -31.8947 -13.1973 -13.1973 -13.1891 -13.1891 -12.8467 -12.8467 -12.8374 -12.8374 -12.7838 -12.7838 -12.7796 -12.7796 -2.0754 -2.0754 -1.7697 -1.7697 1.1219 1.1219 2.4692 2.4692 4.2471 4.2471 5.3966 5.3966 5.5454 5.5454 5.7723 5.7723 5.9326 5.9326 6.3054 6.3054 6.4218 6.4218 6.6203 6.6203 6.7010 6.7010 7.0295 7.0295 7.1189 7.1189 7.4385 7.4385 7.6066 7.6066 8.2474 8.2474 8.4593 8.4593 9.4237 9.4237 9.4580 9.4580 10.1000 10.1000 10.4613 10.4613 11.4446 11.4446 11.5213 11.5213 11.6828 11.6828 k =-0.3562 0.7132-0.0000 ( 5302 PWs) bands (ev): -31.8961 -31.8961 -31.8946 -31.8946 -13.1977 -13.1977 -13.1896 -13.1896 -12.8474 -12.8474 -12.8383 -12.8383 -12.7841 -12.7841 -12.7798 -12.7798 -2.0189 -2.0189 -1.7526 -1.7526 1.0055 1.0055 2.4904 2.4904 4.2785 4.2785 5.4236 5.4236 5.5669 5.5669 5.7368 5.7368 5.9234 5.9234 6.2896 6.2896 6.4330 6.4330 6.6088 6.6088 6.6923 6.6923 7.0321 7.0321 7.1215 7.1215 7.4378 7.4378 7.5777 7.5777 8.1450 8.1450 8.4841 8.4841 9.4466 9.4466 9.4853 9.4853 10.1147 10.1147 10.3917 10.3917 11.3698 11.3698 11.5215 11.5215 11.6617 11.6617 k =-0.3497 0.7401-0.0000 ( 5310 PWs) bands (ev): -31.8961 -31.8961 -31.8945 -31.8945 -13.1982 -13.1982 -13.1902 -13.1902 -12.8482 -12.8482 -12.8392 -12.8392 -12.7843 -12.7843 -12.7800 -12.7800 -1.9599 -1.9599 -1.7358 -1.7358 0.8894 0.8894 2.5113 2.5113 4.3091 4.3091 5.4512 5.4512 5.5699 5.5699 5.7241 5.7241 5.9124 5.9124 6.2726 6.2726 6.4441 6.4441 6.5982 6.5982 6.6844 6.6844 7.0337 7.0337 7.1237 7.1237 7.4362 7.4362 7.5502 7.5502 8.0469 8.0469 8.5108 8.5108 9.4646 9.4646 9.5138 9.5138 10.1301 10.1301 10.3238 10.3238 11.2861 11.2861 11.5213 11.5213 11.6429 11.6429 k =-0.3432 0.7670-0.0000 ( 5302 PWs) bands (ev): -31.8960 -31.8960 -31.8944 -31.8944 -13.1986 -13.1986 -13.1908 -13.1908 -12.8488 -12.8488 -12.8401 -12.8401 -12.7846 -12.7846 -12.7801 -12.7801 -1.8985 -1.8985 -1.7194 -1.7194 0.7739 0.7739 2.5316 2.5316 4.3383 4.3383 5.4792 5.4792 5.5537 5.5537 5.7361 5.7361 5.8995 5.8995 6.2543 6.2543 6.4544 6.4544 6.5894 6.5894 6.6776 6.6776 7.0346 7.0346 7.1251 7.1251 7.4336 7.4336 7.5244 7.5244 7.9540 7.9540 8.5395 8.5395 9.4770 9.4770 9.5430 9.5430 10.1460 10.1460 10.2581 10.2581 11.1968 11.1968 11.5223 11.5223 11.6262 11.6262 k =-0.3366 0.7939-0.0000 ( 5294 PWs) bands (ev): -31.8959 -31.8959 -31.8944 -31.8944 -13.1990 -13.1990 -13.1913 -13.1913 -12.8495 -12.8495 -12.8409 -12.8409 -12.7848 -12.7848 -12.7802 -12.7802 -1.8346 -1.8346 -1.7034 -1.7034 0.6592 0.6592 2.5511 2.5511 4.3659 4.3659 5.5048 5.5048 5.5323 5.5323 5.7622 5.7622 5.8847 5.8847 6.2348 6.2348 6.4627 6.4627 6.5830 6.5830 6.6716 6.6716 7.0347 7.0347 7.1248 7.1248 7.4299 7.4299 7.5000 7.5000 7.8675 7.8675 8.5702 8.5702 9.4830 9.4830 9.5723 9.5723 10.1582 10.1582 10.1997 10.1997 11.1042 11.1042 11.5258 11.5258 11.6116 11.6116 k =-0.3301 0.8208-0.0000 ( 5304 PWs) bands (ev): -31.8958 -31.8958 -31.8943 -31.8943 -13.1994 -13.1994 -13.1919 -13.1919 -12.8502 -12.8502 -12.8418 -12.8418 -12.7850 -12.7850 -12.7802 -12.7802 -1.7682 -1.7682 -1.6880 -1.6880 0.5454 0.5454 2.5697 2.5697 4.3912 4.3912 5.4997 5.4997 5.5429 5.5429 5.7938 5.7938 5.8679 5.8679 6.2142 6.2142 6.4679 6.4679 6.5802 6.5802 6.6666 6.6666 7.0338 7.0338 7.1222 7.1222 7.4251 7.4251 7.4769 7.4769 7.7887 7.7887 8.6030 8.6030 9.4822 9.4822 9.6013 9.6013 10.1222 10.1222 10.1936 10.1936 11.0101 11.0101 11.5327 11.5327 11.5943 11.5943 k =-0.3236 0.8477-0.0000 ( 5288 PWs) bands (ev): -31.8958 -31.8958 -31.8942 -31.8942 -13.1998 -13.1998 -13.1923 -13.1923 -12.8508 -12.8508 -12.8425 -12.8425 -12.7852 -12.7852 -12.7803 -12.7803 -1.6995 -1.6995 -1.6734 -1.6734 0.4327 0.4327 2.5871 2.5871 4.4140 4.4140 5.4814 5.4814 5.5718 5.5718 5.8252 5.8252 5.8516 5.8516 6.1926 6.1926 6.4694 6.4694 6.5819 6.5819 6.6625 6.6625 7.0321 7.0321 7.1165 7.1165 7.4192 7.4192 7.4552 7.4552 7.7191 7.7191 8.6378 8.6378 9.4742 9.4742 9.6295 9.6295 10.0635 10.0635 10.2152 10.2152 10.9154 10.9154 11.5131 11.5131 11.5441 11.5441 k =-0.3170 0.8746-0.0000 ( 5284 PWs) bands (ev): -31.8957 -31.8957 -31.8942 -31.8942 -13.2002 -13.2002 -13.1928 -13.1928 -12.8515 -12.8515 -12.8432 -12.8432 -12.7854 -12.7854 -12.7803 -12.7803 -1.6596 -1.6596 -1.6283 -1.6283 0.3212 0.3212 2.6031 2.6031 4.4341 4.4341 5.4683 5.4683 5.6023 5.6023 5.8226 5.8226 5.8679 5.8679 6.1700 6.1700 6.4672 6.4672 6.5879 6.5879 6.6594 6.6594 7.0293 7.0293 7.1064 7.1064 7.4120 7.4120 7.4348 7.4348 7.6603 7.6603 8.6748 8.6748 9.4589 9.4589 9.6561 9.6561 10.0057 10.0057 10.2417 10.2417 10.8210 10.8210 11.4168 11.4168 11.5595 11.5596 k =-0.3105 0.9015-0.0000 ( 5280 PWs) bands (ev): -31.8956 -31.8956 -31.8941 -31.8941 -13.2006 -13.2006 -13.1932 -13.1932 -12.8520 -12.8520 -12.8438 -12.8438 -12.7855 -12.7855 -12.7804 -12.7804 -1.6469 -1.6469 -1.5548 -1.5548 0.2111 0.2111 2.6175 2.6175 4.4515 4.4515 5.4618 5.4618 5.6335 5.6335 5.7997 5.7997 5.9022 5.9022 6.1466 6.1466 6.4621 6.4621 6.5976 6.5976 6.6571 6.6571 7.0247 7.0247 7.0919 7.0919 7.4014 7.4014 7.4178 7.4178 7.6133 7.6133 8.7139 8.7139 9.4368 9.4368 9.6802 9.6802 9.9511 9.9511 10.2718 10.2718 10.7274 10.7274 11.3215 11.3215 11.5746 11.5746 k =-0.3040 0.9284-0.0000 ( 5281 PWs) bands (ev): -31.8956 -31.8956 -31.8940 -31.8940 -13.2009 -13.2009 -13.1936 -13.1936 -12.8526 -12.8526 -12.8445 -12.8445 -12.7856 -12.7856 -12.7804 -12.7804 -1.6354 -1.6354 -1.4790 -1.4790 0.1025 0.1025 2.6300 2.6300 4.4663 4.4663 5.4622 5.4622 5.6651 5.6651 5.7737 5.7737 5.9369 5.9369 6.1228 6.1228 6.4550 6.4550 6.6100 6.6100 6.6557 6.6557 7.0169 7.0169 7.0740 7.0740 7.3844 7.3844 7.4074 7.4074 7.5787 7.5787 8.7551 8.7551 9.4082 9.4082 9.6996 9.6996 9.9019 9.9019 10.3052 10.3052 10.6349 10.6349 11.2279 11.2279 11.5770 11.5770 k =-0.2974 0.9553-0.0000 ( 5271 PWs) bands (ev): -31.8955 -31.8955 -31.8940 -31.8940 -13.2012 -13.2012 -13.1940 -13.1940 -12.8531 -12.8531 -12.8450 -12.8450 -12.7857 -12.7857 -12.7804 -12.7804 -1.6251 -1.6251 -1.4009 -1.4009 -0.0044 -0.0044 2.6405 2.6405 4.4790 4.4790 5.4693 5.4693 5.6966 5.6966 5.7457 5.7457 5.9702 5.9702 6.0994 6.0994 6.4471 6.4471 6.6243 6.6243 6.6552 6.6552 7.0021 7.0021 7.0568 7.0568 7.3649 7.3649 7.4003 7.4003 7.5557 7.5557 8.7986 8.7986 9.3739 9.3739 9.7096 9.7096 9.8630 9.8630 10.3417 10.3417 10.5440 10.5440 11.1363 11.1363 11.5783 11.5783 k =-0.2909 0.9822-0.0000 ( 5267 PWs) bands (ev): -31.8955 -31.8955 -31.8939 -31.8939 -13.2015 -13.2015 -13.1943 -13.1943 -12.8536 -12.8536 -12.8455 -12.8455 -12.7858 -12.7858 -12.7804 -12.7804 -1.6163 -1.6163 -1.3205 -1.3205 -0.1095 -0.1095 2.6487 2.6487 4.4901 4.4901 5.4826 5.4826 5.7108 5.7108 5.7333 5.7333 5.9990 5.9990 6.0790 6.0790 6.4386 6.4386 6.6396 6.6396 6.6563 6.6563 6.9773 6.9773 7.0448 7.0448 7.3461 7.3461 7.3939 7.3939 7.5426 7.5426 8.8441 8.8441 9.3346 9.3346 9.7021 9.7021 9.8424 9.8424 10.3810 10.3810 10.4549 10.4549 11.0468 11.0468 11.5817 11.5817 k =-0.2844 1.0091-0.0000 ( 5275 PWs) bands (ev): -31.8954 -31.8954 -31.8939 -31.8939 -13.2018 -13.2018 -13.1946 -13.1946 -12.8540 -12.8540 -12.8459 -12.8459 -12.7859 -12.7859 -12.7804 -12.7804 -1.6091 -1.6091 -1.2379 -1.2379 -0.2126 -0.2126 2.6544 2.6544 4.5004 4.5004 5.5011 5.5011 5.6803 5.6803 5.7638 5.7638 6.0117 6.0117 6.0730 6.0730 6.4300 6.4300 6.6506 6.6506 6.6635 6.6635 6.9448 6.9448 7.0375 7.0375 7.3291 7.3291 7.3871 7.3871 7.5376 7.5376 8.8918 8.8918 9.2913 9.2913 9.6754 9.6754 9.8417 9.8417 10.3660 10.3660 10.4246 10.4246 10.9595 10.9595 11.5874 11.5875 k =-0.2778 1.0360-0.0000 ( 5279 PWs) bands (ev): -31.8954 -31.8954 -31.8939 -31.8939 -13.2020 -13.2020 -13.1948 -13.1948 -12.8543 -12.8543 -12.8462 -12.8462 -12.7860 -12.7860 -12.7804 -12.7804 -1.6037 -1.6037 -1.1530 -1.1530 -0.3136 -0.3136 2.6576 2.6576 4.5106 4.5106 5.5242 5.5242 5.6463 5.6463 5.7964 5.7964 5.9984 5.9984 6.0910 6.0910 6.4213 6.4213 6.6536 6.6536 6.6806 6.6806 6.9087 6.9087 7.0326 7.0326 7.3147 7.3147 7.3795 7.3795 7.5394 7.5394 8.9415 8.9415 9.2447 9.2447 9.6383 9.6383 9.8524 9.8524 10.2807 10.2807 10.4691 10.4691 10.8746 10.8746 11.5957 11.5957 k =-0.2713 1.0628-0.0000 ( 5295 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2022 -13.2022 -13.1950 -13.1950 -12.8547 -12.8547 -12.8465 -12.8465 -12.7861 -12.7861 -12.7804 -12.7804 -1.6001 -1.6001 -1.0661 -1.0661 -0.4123 -0.4123 2.6580 2.6580 4.5214 4.5214 5.5508 5.5508 5.6107 5.6107 5.8292 5.8292 5.9743 5.9743 6.1176 6.1176 6.4125 6.4125 6.6552 6.6552 6.7004 6.7004 6.8724 6.8724 7.0289 7.0289 7.3029 7.3029 7.3708 7.3708 7.5464 7.5464 8.9930 8.9930 9.1960 9.1960 9.5980 9.5980 9.8672 9.8672 10.1971 10.1971 10.5162 10.5162 10.7922 10.7922 11.6065 11.6065 k =-0.2648 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2023 -13.2023 -13.1951 -13.1951 -12.8548 -12.8548 -12.8467 -12.8467 -12.7861 -12.7861 -12.7804 -12.7804 -1.5987 -1.5987 -0.9770 -0.9770 -0.5086 -0.5086 2.6555 2.6555 4.5336 4.5336 5.5725 5.5725 5.5816 5.5816 5.8623 5.8623 5.9472 5.9472 6.1449 6.1449 6.4033 6.4033 6.6564 6.6564 6.7209 6.7209 6.8386 6.8386 7.0261 7.0261 7.2942 7.2942 7.3612 7.3612 7.5578 7.5578 9.0459 9.0459 9.1465 9.1465 9.5578 9.5578 9.8828 9.8828 10.1157 10.1157 10.5654 10.5654 10.7127 10.7127 11.6199 11.6199 k =-0.2648 1.0897-0.0000 ( 5287 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2023 -13.2023 -13.1951 -13.1951 -12.8548 -12.8548 -12.8467 -12.8467 -12.7861 -12.7861 -12.7804 -12.7804 -1.5987 -1.5987 -0.9770 -0.9770 -0.5086 -0.5086 2.6555 2.6555 4.5336 4.5336 5.5725 5.5725 5.5816 5.5816 5.8623 5.8623 5.9472 5.9472 6.1449 6.1449 6.4033 6.4033 6.6564 6.6564 6.7209 6.7209 6.8386 6.8386 7.0261 7.0261 7.2942 7.2942 7.3612 7.3612 7.5578 7.5578 9.0459 9.0459 9.1465 9.1465 9.5578 9.5578 9.8828 9.8828 10.1157 10.1157 10.5654 10.5654 10.7127 10.7127 11.6199 11.6199 k =-0.2648 1.0897 0.0283 ( 5283 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2024 -13.2024 -13.1951 -13.1951 -12.8548 -12.8548 -12.8467 -12.8467 -12.7862 -12.7862 -12.7804 -12.7804 -1.5974 -1.5974 -0.9758 -0.9758 -0.5075 -0.5075 2.6543 2.6543 4.5351 4.5351 5.5732 5.5732 5.5823 5.5823 5.8524 5.8524 5.9441 5.9441 6.1495 6.1495 6.4037 6.4037 6.6510 6.6510 6.7214 6.7214 6.8395 6.8395 7.0261 7.0261 7.2940 7.2940 7.3562 7.3562 7.5581 7.5581 9.0280 9.0280 9.1528 9.1528 9.5571 9.5571 9.8763 9.8763 10.1043 10.1043 10.5767 10.5767 10.7459 10.7459 11.6189 11.6189 k =-0.2648 1.0897 0.0566 ( 5289 PWs) bands (ev): -31.8954 -31.8954 -31.8938 -31.8938 -13.2024 -13.2024 -13.1952 -13.1952 -12.8548 -12.8548 -12.8466 -12.8466 -12.7864 -12.7864 -12.7807 -12.7807 -1.5935 -1.5935 -0.9722 -0.9722 -0.5041 -0.5041 2.6505 2.6505 4.5397 4.5397 5.5753 5.5753 5.5844 5.5844 5.8249 5.8249 5.9340 5.9340 6.1618 6.1618 6.4048 6.4048 6.6350 6.6350 6.7226 6.7226 6.8416 6.8416 7.0261 7.0261 7.2934 7.2934 7.3422 7.3422 7.5588 7.5588 8.9848 8.9848 9.1619 9.1619 9.5535 9.5535 9.8477 9.8477 10.0932 10.0932 10.6097 10.6097 10.8327 10.8327 11.6164 11.6164 k =-0.2648 1.0897 0.0849 ( 5288 PWs) bands (ev): -31.8953 -31.8953 -31.8938 -31.8938 -13.2024 -13.2024 -13.1952 -13.1952 -12.8547 -12.8547 -12.8465 -12.8465 -12.7868 -12.7868 -12.7810 -12.7810 -1.5870 -1.5870 -0.9662 -0.9662 -0.4985 -0.4985 2.6441 2.6441 4.5474 4.5474 5.5785 5.5785 5.5876 5.5876 5.7845 5.7845 5.9164 5.9164 6.1783 6.1783 6.4066 6.4066 6.6095 6.6095 6.7243 6.7243 6.8447 6.8447 7.0260 7.0260 7.2909 7.2909 7.3232 7.3232 7.5590 7.5590 8.9280 8.9280 9.1643 9.1643 9.5431 9.5431 9.7891 9.7891 10.1135 10.1135 10.6619 10.6619 10.9520 10.9520 11.6136 11.6136 k =-0.2648 1.0897 0.1132 ( 5288 PWs) bands (ev): -31.8953 -31.8953 -31.8938 -31.8938 -13.2025 -13.2025 -13.1953 -13.1953 -12.8545 -12.8545 -12.8464 -12.8464 -12.7873 -12.7873 -12.7816 -12.7816 -1.5780 -1.5780 -0.9578 -0.9578 -0.4906 -0.4906 2.6351 2.6351 4.5581 4.5581 5.5827 5.5827 5.5908 5.5908 5.7357 5.7357 5.8912 5.8912 6.1961 6.1961 6.4088 6.4088 6.5755 6.5755 6.7262 6.7262 6.8483 6.8483 7.0260 7.0260 7.2802 7.2802 7.3083 7.3083 7.5582 7.5582 8.8631 8.8631 9.1575 9.1575 9.5191 9.5191 9.7163 9.7163 10.1672 10.1672 10.7298 10.7298 11.0894 11.0894 11.6120 11.6120 k =-0.2648 1.0897 0.1415 ( 5288 PWs) bands (ev): -31.8952 -31.8952 -31.8937 -31.8937 -13.2026 -13.2026 -13.1954 -13.1954 -12.8544 -12.8544 -12.8463 -12.8463 -12.7880 -12.7880 -12.7823 -12.7823 -1.5664 -1.5664 -0.9470 -0.9470 -0.4806 -0.4806 2.6232 2.6232 4.5719 4.5719 5.5856 5.5856 5.5911 5.5911 5.6853 5.6853 5.8586 5.8586 6.2131 6.2131 6.4107 6.4107 6.5346 6.5346 6.7283 6.7283 6.8519 6.8519 7.0261 7.0261 7.2574 7.2574 7.3040 7.3040 7.5559 7.5559 8.7934 8.7934 9.1416 9.1416 9.4725 9.4725 9.6514 9.6514 10.2452 10.2452 10.8100 10.8100 11.2374 11.2374 11.6127 11.6127 k =-0.2648 1.0897 0.1697 ( 5286 PWs) bands (ev): -31.8952 -31.8952 -31.8937 -31.8937 -13.2026 -13.2026 -13.1956 -13.1956 -12.8541 -12.8541 -12.8462 -12.8462 -12.7887 -12.7887 -12.7831 -12.7831 -1.5522 -1.5522 -0.9339 -0.9339 -0.4684 -0.4684 2.6085 2.6085 4.5886 4.5886 5.5637 5.5637 5.5938 5.5938 5.6521 5.6521 5.8191 5.8191 6.2281 6.2281 6.4096 6.4096 6.4908 6.4908 6.7307 6.7307 6.8555 6.8555 7.0261 7.0261 7.2316 7.2316 7.3036 7.3036 7.5522 7.5522 8.7211 8.7211 9.1173 9.1173 9.4011 9.4011 9.6035 9.6035 10.3405 10.3405 10.8989 10.8989 11.3915 11.3915 11.6165 11.6165 k =-0.2648 1.0897 0.1980 ( 5282 PWs) bands (ev): -31.8951 -31.8951 -31.8936 -31.8936 -13.2027 -13.2027 -13.1957 -13.1957 -12.8539 -12.8539 -12.8460 -12.8460 -12.7896 -12.7896 -12.7841 -12.7841 -1.5354 -1.5354 -0.9184 -0.9184 -0.4540 -0.4540 2.5907 2.5907 4.6083 4.6083 5.5061 5.5061 5.5972 5.5972 5.6483 5.6483 5.7740 5.7740 6.2406 6.2406 6.3940 6.3940 6.4574 6.4574 6.7333 6.7333 6.8588 6.8588 7.0260 7.0260 7.2067 7.2067 7.3044 7.3044 7.5471 7.5471 8.6479 8.6479 9.0857 9.0857 9.3153 9.3153 9.5660 9.5660 10.4475 10.4475 10.9931 10.9931 11.5486 11.5486 11.6240 11.6240 k =-0.2648 1.0897 0.2263 ( 5275 PWs) bands (ev): -31.8950 -31.8950 -31.8935 -31.8935 -13.2029 -13.2029 -13.1959 -13.1959 -12.8536 -12.8536 -12.8458 -12.8458 -12.7906 -12.7906 -12.7851 -12.7851 -1.5161 -1.5161 -0.9007 -0.9007 -0.4375 -0.4375 2.5696 2.5696 4.6309 4.6309 5.4321 5.4321 5.5964 5.5964 5.6561 5.6561 5.7267 5.7267 6.2495 6.2495 6.3524 6.3524 6.4487 6.4487 6.7362 6.7362 6.8620 6.8620 7.0259 7.0259 7.1839 7.1839 7.3057 7.3057 7.5407 7.5407 8.5752 8.5752 9.0477 9.0477 9.2253 9.2253 9.5308 9.5308 10.5613 10.5613 11.0895 11.0895 11.6347 11.6347 11.7069 11.7069 k =-0.2648 1.0897 0.2546 ( 5276 PWs) bands (ev): -31.8949 -31.8949 -31.8935 -31.8935 -13.2030 -13.2030 -13.1961 -13.1961 -12.8533 -12.8533 -12.8455 -12.8455 -12.7918 -12.7918 -12.7863 -12.7863 -1.4942 -1.4942 -0.8806 -0.8806 -0.4189 -0.4189 2.5450 2.5450 4.6563 4.6563 5.3505 5.3505 5.5820 5.5820 5.6615 5.6615 5.6922 5.6922 6.2515 6.2515 6.3038 6.3038 6.4514 6.4514 6.7394 6.7394 6.8648 6.8648 7.0258 7.0258 7.1637 7.1637 7.3073 7.3073 7.5332 7.5332 8.5038 8.5038 9.0041 9.0041 9.1359 9.1359 9.4941 9.4941 10.6773 10.6773 11.1854 11.1854 11.6507 11.6507 11.8513 11.8513 k =-0.2648 1.0897 0.2829 ( 5276 PWs) bands (ev): -31.8948 -31.8948 -31.8934 -31.8934 -13.2031 -13.2031 -13.1964 -13.1964 -12.8529 -12.8529 -12.8453 -12.8453 -12.7930 -12.7930 -12.7877 -12.7877 -1.4697 -1.4697 -0.8582 -0.8582 -0.3984 -0.3984 2.5168 2.5168 4.6844 4.6844 5.2635 5.2635 5.5397 5.5397 5.6504 5.6504 5.6965 5.6965 6.2276 6.2276 6.2778 6.2778 6.4574 6.4574 6.7427 6.7427 6.8675 6.8675 7.0256 7.0256 7.1461 7.1461 7.3092 7.3092 7.5248 7.5248 8.4343 8.4343 8.9559 8.9559 9.0495 9.0495 9.4542 9.4542 10.7904 10.7904 11.2782 11.2782 11.6716 11.6716 11.8724 11.8724 k =-0.2648 1.0897 0.3112 ( 5271 PWs) bands (ev): -31.8947 -31.8947 -31.8933 -31.8933 -13.2033 -13.2033 -13.1967 -13.1967 -12.8525 -12.8525 -12.8450 -12.8450 -12.7943 -12.7943 -12.7891 -12.7891 -1.4427 -1.4427 -0.8336 -0.8336 -0.3758 -0.3758 2.4847 2.4847 4.7149 4.7149 5.1726 5.1726 5.4743 5.4743 5.6417 5.6417 5.7143 5.7143 6.1825 6.1825 6.2745 6.2745 6.4650 6.4650 6.7462 6.7462 6.8700 6.8700 7.0253 7.0253 7.1307 7.1307 7.3112 7.3112 7.5157 7.5157 8.3673 8.3673 8.9035 8.9035 8.9670 8.9670 9.4108 9.4108 10.8958 10.8958 11.3655 11.3655 11.6981 11.6981 11.8745 11.8745 k =-0.2648 1.0897 0.3395 ( 5274 PWs) bands (ev): -31.8946 -31.8946 -31.8932 -31.8932 -13.2035 -13.2035 -13.1970 -13.1970 -12.8521 -12.8521 -12.8448 -12.8448 -12.7957 -12.7957 -12.7906 -12.7906 -1.4131 -1.4131 -0.8069 -0.8069 -0.3513 -0.3513 2.4485 2.4485 4.7472 4.7472 5.0791 5.0791 5.3969 5.3969 5.6329 5.6329 5.7357 5.7357 6.1405 6.1405 6.2731 6.2731 6.4734 6.4734 6.7499 6.7499 6.8722 6.8722 7.0249 7.0249 7.1173 7.1173 7.3135 7.3135 7.5060 7.5060 8.3029 8.3029 8.8477 8.8477 8.8886 8.8886 9.3635 9.3635 10.9889 10.9889 11.4449 11.4449 11.7314 11.7314 11.8871 11.8871 k =-0.2648 1.0897 0.3678 ( 5284 PWs) bands (ev): -31.8945 -31.8945 -31.8931 -31.8931 -13.2037 -13.2037 -13.1974 -13.1974 -12.8517 -12.8517 -12.8445 -12.8445 -12.7972 -12.7972 -12.7922 -12.7922 -1.3810 -1.3810 -0.7780 -0.7780 -0.3250 -0.3250 2.4081 2.4081 4.7793 4.7793 4.9854 4.9854 5.3123 5.3123 5.6197 5.6197 5.7593 5.7593 6.1076 6.1076 6.2702 6.2702 6.4824 6.4824 6.7538 6.7538 6.8742 6.8742 7.0244 7.0244 7.1055 7.1055 7.3158 7.3158 7.4959 7.4959 8.2412 8.2412 8.7888 8.7888 8.8145 8.8145 9.3124 9.3124 11.0659 11.0659 11.5143 11.5143 11.7725 11.7725 11.9108 11.9108 k =-0.2648 1.0897 0.3961 ( 5282 PWs) bands (ev): -31.8943 -31.8943 -31.8930 -31.8930 -13.2039 -13.2039 -13.1977 -13.1977 -12.8512 -12.8512 -12.8442 -12.8442 -12.7988 -12.7988 -12.7939 -12.7939 -1.3464 -1.3464 -0.7469 -0.7469 -0.2970 -0.2970 2.3633 2.3633 4.7986 4.7986 4.9049 4.9049 5.2225 5.2225 5.6002 5.6002 5.7850 5.7850 6.0860 6.0860 6.2655 6.2655 6.4918 6.4918 6.7577 6.7577 6.8761 6.8761 7.0239 7.0239 7.0951 7.0951 7.3183 7.3183 7.4857 7.4857 8.1823 8.1823 8.7276 8.7276 8.7446 8.7446 9.2576 9.2576 11.1256 11.1256 11.5729 11.5729 11.8215 11.8215 11.9428 11.9428 k =-0.2648 1.0897 0.4244 ( 5288 PWs) bands (ev): -31.8942 -31.8942 -31.8929 -31.8929 -13.2041 -13.2041 -13.1981 -13.1981 -12.8508 -12.8508 -12.8439 -12.8439 -12.8004 -12.8004 -12.7956 -12.7956 -1.3092 -1.3092 -0.7139 -0.7139 -0.2673 -0.2673 2.3140 2.3140 4.7495 4.7495 4.8935 4.8935 5.1287 5.1287 5.5747 5.5747 5.8124 5.8124 6.0762 6.0762 6.2588 6.2588 6.5015 6.5015 6.7618 6.7618 6.8779 6.8779 7.0232 7.0232 7.0860 7.0860 7.3209 7.3209 7.4753 7.4753 8.1262 8.1262 8.6648 8.6648 8.6777 8.6777 9.1995 9.1995 11.1689 11.1689 11.6215 11.6215 11.8770 11.8770 11.9780 11.9780 k =-0.2648 1.0897 0.4527 ( 5286 PWs) bands (ev): -31.8941 -31.8941 -31.8928 -31.8928 -13.2043 -13.2043 -13.1985 -13.1985 -12.8503 -12.8503 -12.8436 -12.8436 -12.8020 -12.8020 -12.7974 -12.7974 -1.2695 -1.2695 -0.6789 -0.6789 -0.2362 -0.2362 2.2602 2.2602 4.6556 4.6556 4.9280 4.9280 5.0319 5.0319 5.5446 5.5446 5.8414 5.8414 6.0771 6.0771 6.2504 6.2504 6.5113 6.5113 6.7659 6.7659 6.8795 6.8795 7.0224 7.0224 7.0779 7.0779 7.3236 7.3236 7.4651 7.4651 8.0728 8.0728 8.6021 8.6021 8.6124 8.6124 9.1382 9.1382 11.1982 11.1982 11.6622 11.6622 11.9367 11.9367 12.0113 12.0113 k =-0.2648 1.0897 0.4809 ( 5288 PWs) bands (ev): -31.8939 -31.8939 -31.8927 -31.8927 -13.2046 -13.2046 -13.1989 -13.1989 -12.8498 -12.8498 -12.8433 -12.8433 -12.8037 -12.8037 -12.7992 -12.7992 -1.2273 -1.2273 -0.6420 -0.6420 -0.2036 -0.2036 2.2019 2.2019 4.5539 4.5539 4.9311 4.9311 4.9734 4.9734 5.5120 5.5120 5.8717 5.8717 6.0868 6.0868 6.2405 6.2405 6.5210 6.5210 6.7701 6.7701 6.8810 6.8810 7.0213 7.0213 7.0706 7.0706 7.3262 7.3262 7.4552 7.4552 8.0218 8.0218 8.5400 8.5400 8.5483 8.5483 9.0741 9.0741 11.2165 11.2165 11.6968 11.6968 11.9980 11.9980 12.0392 12.0392 k =-0.2648 1.0897 0.5092 ( 5280 PWs) bands (ev): -31.8938 -31.8938 -31.8926 -31.8926 -13.2048 -13.2048 -13.1993 -13.1993 -12.8493 -12.8493 -12.8429 -12.8429 -12.8053 -12.8053 -12.8010 -12.8010 -1.1827 -1.1827 -0.6032 -0.6032 -0.1698 -0.1698 2.1391 2.1391 4.4502 4.4502 4.8305 4.8305 5.0208 5.0208 5.4791 5.4791 5.9031 5.9031 6.1036 6.1036 6.2295 6.2295 6.5307 6.5307 6.7744 6.7744 6.8825 6.8825 7.0201 7.0201 7.0643 7.0643 7.3288 7.3288 7.4457 7.4457 7.9732 7.9732 8.4774 8.4774 8.4859 8.4859 9.0076 9.0076 11.2264 11.2264 11.7267 11.7267 12.0545 12.0545 12.0655 12.0655 k =-0.2648 1.0897 0.5375 ( 5272 PWs) bands (ev): -31.8936 -31.8936 -31.8925 -31.8925 -13.2050 -13.2050 -13.1998 -13.1998 -12.8488 -12.8488 -12.8426 -12.8426 -12.8070 -12.8070 -12.8028 -12.8028 -1.1355 -1.1355 -0.5628 -0.5628 -0.1349 -0.1349 2.0720 2.0720 4.3462 4.3462 4.7280 4.7280 5.0717 5.0717 5.4476 5.4476 5.9349 5.9349 6.1259 6.1259 6.2179 6.2179 6.5401 6.5401 6.7787 6.7787 6.8838 6.8838 7.0187 7.0187 7.0587 7.0587 7.3313 7.3313 7.4369 7.4369 7.9269 7.9269 8.4136 8.4136 8.4262 8.4262 8.9390 8.9390 11.2297 11.2297 11.7523 11.7523 12.0742 12.0742 12.1223 12.1223 k =-0.2648 1.0897 0.5658 ( 5273 PWs) bands (ev): -31.8934 -31.8934 -31.8924 -31.8924 -13.2053 -13.2053 -13.2002 -13.2002 -12.8483 -12.8483 -12.8423 -12.8423 -12.8086 -12.8086 -12.8046 -12.8046 -1.0859 -1.0859 -0.5207 -0.5207 -0.0991 -0.0991 2.0007 2.0007 4.2427 4.2427 4.6247 4.6247 5.1250 5.1250 5.4188 5.4188 5.9662 5.9662 6.1519 6.1519 6.2073 6.2073 6.5490 6.5490 6.7829 6.7829 6.8851 6.8851 7.0170 7.0170 7.0538 7.0538 7.3336 7.3336 7.4289 7.4289 7.8825 7.8825 8.3492 8.3492 8.3682 8.3682 8.8686 8.8686 11.2280 11.2280 11.7736 11.7736 12.0870 12.0870 12.1819 12.1819 k =-0.2648 1.0897 0.5941 ( 5273 PWs) bands (ev): -31.8933 -31.8933 -31.8923 -31.8923 -13.2056 -13.2056 -13.2007 -13.2007 -12.8478 -12.8478 -12.8420 -12.8420 -12.8103 -12.8103 -12.8064 -12.8064 -1.0339 -1.0339 -0.4772 -0.4772 -0.0626 -0.0626 1.9256 1.9256 4.1403 4.1403 4.5210 4.5210 5.1802 5.1802 5.3937 5.3937 5.9952 5.9952 6.1778 6.1778 6.2023 6.2023 6.5575 6.5575 6.7872 6.7872 6.8863 6.8863 7.0150 7.0150 7.0496 7.0496 7.3355 7.3355 7.4220 7.4220 7.8399 7.8399 8.2851 8.2851 8.3111 8.3111 8.7968 8.7968 11.2222 11.2222 11.7902 11.7902 12.0993 12.0993 12.2402 12.2402 k =-0.2648 1.0897 0.6224 ( 5275 PWs) bands (ev): -31.8931 -31.8931 -31.8922 -31.8922 -13.2058 -13.2058 -13.2012 -13.2012 -12.8473 -12.8473 -12.8417 -12.8417 -12.8119 -12.8119 -12.8082 -12.8082 -0.9794 -0.9794 -0.4323 -0.4323 -0.0257 -0.0257 1.8469 1.8469 4.0396 4.0396 4.4176 4.4176 5.2367 5.2367 5.3732 5.3732 6.0186 6.0186 6.1878 6.1878 6.2216 6.2216 6.5652 6.5652 6.7914 6.7914 6.8875 6.8875 7.0127 7.0127 7.0460 7.0460 7.3367 7.3367 7.4164 7.4164 7.7990 7.7990 8.2216 8.2216 8.2543 8.2543 8.7240 8.7240 11.2134 11.2134 11.8015 11.8015 12.1136 12.1136 12.2970 12.2970 k =-0.2648 1.0897 0.6507 ( 5273 PWs) bands (ev): -31.8930 -31.8930 -31.8921 -31.8921 -13.2061 -13.2061 -13.2017 -13.2017 -12.8468 -12.8468 -12.8414 -12.8414 -12.8134 -12.8134 -12.8099 -12.8099 -0.9226 -0.9226 -0.3862 -0.3862 0.0113 0.0113 1.7650 1.7650 3.9412 3.9412 4.3148 4.3148 5.2925 5.2925 5.3594 5.3594 6.0316 6.0316 6.1961 6.1961 6.2550 6.2550 6.5722 6.5722 6.7955 6.7955 6.8886 6.8886 7.0102 7.0102 7.0431 7.0431 7.3372 7.3372 7.4125 7.4125 7.7595 7.7595 8.1591 8.1591 8.1975 8.1975 8.6505 8.6505 11.2024 11.2024 11.8070 11.8070 12.1315 12.1315 12.3522 12.3522 k =-0.2648 1.0897 0.6790 ( 5271 PWs) bands (ev): -31.8928 -31.8928 -31.8920 -31.8920 -13.2064 -13.2064 -13.2022 -13.2022 -12.8463 -12.8463 -12.8412 -12.8412 -12.8149 -12.8149 -12.8116 -12.8116 -0.8634 -0.8634 -0.3391 -0.3391 0.0482 0.0482 1.6801 1.6801 3.8457 3.8457 4.2131 4.2131 5.3279 5.3279 5.3720 5.3720 6.0315 6.0315 6.2162 6.2162 6.2915 6.2915 6.5783 6.5783 6.7995 6.7995 6.8897 6.8897 7.0075 7.0075 7.0407 7.0407 7.3366 7.3366 7.4104 7.4104 7.7212 7.7212 8.0979 8.0979 8.1406 8.1406 8.5767 8.5767 11.1902 11.1902 11.8060 11.8060 12.1542 12.1542 12.4060 12.4060 k =-0.2648 1.0897 0.7073 ( 5267 PWs) bands (ev): -31.8927 -31.8927 -31.8919 -31.8919 -13.2066 -13.2066 -13.2027 -13.2027 -12.8458 -12.8458 -12.8409 -12.8409 -12.8163 -12.8163 -12.8132 -12.8132 -0.8018 -0.8018 -0.2911 -0.2911 0.0846 0.0846 1.5927 1.5927 3.7537 3.7537 4.1129 4.1129 5.3277 5.3277 5.4257 5.4257 6.0207 6.0207 6.2468 6.2468 6.3295 6.3295 6.5835 6.5835 6.8034 6.8034 6.8909 6.8909 7.0048 7.0048 7.0388 7.0388 7.3349 7.3349 7.4104 7.4104 7.6839 7.6839 8.0382 8.0382 8.0835 8.0835 8.5029 8.5029 11.1778 11.1778 11.7984 11.7984 12.1821 12.1821 12.4582 12.4582 k =-0.2648 1.0897 0.7356 ( 5269 PWs) bands (ev): -31.8926 -31.8926 -31.8918 -31.8918 -13.2069 -13.2069 -13.2032 -13.2032 -12.8454 -12.8454 -12.8407 -12.8407 -12.8177 -12.8177 -12.8147 -12.8147 -0.7379 -0.7379 -0.2426 -0.2426 0.1202 0.1202 1.5031 1.5031 3.6657 3.6657 4.0148 4.0148 5.3254 5.3254 5.4866 5.4866 6.0032 6.0032 6.2843 6.2843 6.3684 6.3684 6.5879 6.5879 6.8072 6.8072 6.8920 6.8920 7.0021 7.0021 7.0371 7.0371 7.3321 7.3321 7.4122 7.4122 7.6474 7.6474 7.9805 7.9805 8.0261 8.0261 8.4296 8.4296 11.1660 11.1660 11.7841 11.7841 12.2154 12.2154 12.5088 12.5088 k =-0.2648 1.0897 0.7639 ( 5269 PWs) bands (ev): -31.8924 -31.8924 -31.8917 -31.8917 -13.2071 -13.2071 -13.2036 -13.2036 -12.8450 -12.8450 -12.8406 -12.8406 -12.8190 -12.8190 -12.8161 -12.8161 -0.6718 -0.6718 -0.1937 -0.1937 0.1544 0.1544 1.4117 1.4117 3.5822 3.5822 3.9191 3.9191 5.3263 5.3263 5.5486 5.5486 5.9819 5.9819 6.3261 6.3261 6.4072 6.4072 6.5918 6.5918 6.8109 6.8109 6.8931 6.8931 6.9995 6.9995 7.0359 7.0359 7.3283 7.3283 7.4156 7.4156 7.6113 7.6113 7.9250 7.9250 7.9687 7.9687 8.3570 8.3570 11.1557 11.1557 11.7633 11.7633 12.2539 12.2539 12.5576 12.5577 k =-0.2648 1.0897 0.7921 ( 5271 PWs) bands (ev): -31.8923 -31.8923 -31.8916 -31.8916 -13.2073 -13.2073 -13.2041 -13.2041 -12.8446 -12.8446 -12.8404 -12.8404 -12.8201 -12.8201 -12.8175 -12.8175 -0.6034 -0.6034 -0.1447 -0.1447 0.1868 0.1868 1.3189 1.3189 3.5041 3.5041 3.8264 3.8264 5.3309 5.3309 5.6101 5.6101 5.9591 5.9591 6.3705 6.3705 6.4445 6.4445 6.5960 6.5960 6.8144 6.8144 6.8943 6.8943 6.9972 6.9972 7.0350 7.0350 7.3235 7.3235 7.4202 7.4202 7.5757 7.5757 7.8720 7.8720 7.9118 7.9118 8.2855 8.2855 11.1476 11.1476 11.7366 11.7366 12.2974 12.2974 12.6046 12.6046 k =-0.2648 1.0897 0.8204 ( 5271 PWs) bands (ev): -31.8922 -31.8922 -31.8916 -31.8916 -13.2075 -13.2075 -13.2046 -13.2046 -12.8442 -12.8442 -12.8403 -12.8403 -12.8212 -12.8212 -12.8188 -12.8188 -0.5328 -0.5328 -0.0960 -0.0960 0.2170 0.2170 1.2250 1.2250 3.4318 3.4318 3.7372 3.7372 5.3391 5.3391 5.6691 5.6691 5.9373 5.9373 6.4163 6.4163 6.4779 6.4779 6.6029 6.6029 6.8178 6.8178 6.8956 6.8956 6.9952 6.9952 7.0344 7.0344 7.3176 7.3176 7.4252 7.4252 7.5408 7.5408 7.8216 7.8216 7.8561 7.8561 8.2156 8.2156 11.1425 11.1425 11.7048 11.7048 12.3453 12.3453 12.6495 12.6495 k =-0.2648 1.0897 0.8487 ( 5262 PWs) bands (ev): -31.8920 -31.8920 -31.8915 -31.8915 -13.2076 -13.2076 -13.2050 -13.2050 -12.8438 -12.8438 -12.8403 -12.8403 -12.8221 -12.8221 -12.8199 -12.8199 -0.4601 -0.4601 -0.0478 -0.0478 0.2444 0.2444 1.1303 1.1303 3.3660 3.3660 3.6519 3.6519 5.3507 5.3507 5.7210 5.7210 5.9212 5.9212 6.4620 6.4620 6.5033 6.5033 6.6167 6.6167 6.8213 6.8213 6.8971 6.8971 6.9937 6.9937 7.0341 7.0341 7.3105 7.3105 7.4282 7.4282 7.5085 7.5085 7.7735 7.7735 7.8033 7.8033 8.1477 8.1477 11.1407 11.1407 11.6688 11.6688 12.3970 12.3970 12.6919 12.6919 k =-0.2648 1.0897 0.8770 ( 5261 PWs) bands (ev): -31.8919 -31.8919 -31.8914 -31.8914 -13.2078 -13.2078 -13.2054 -13.2054 -12.8435 -12.8435 -12.8402 -12.8402 -12.8230 -12.8230 -12.8210 -12.8210 -0.3853 -0.3853 -0.0007 -0.0007 0.2685 0.2685 1.0351 1.0351 3.3073 3.3073 3.5711 3.5711 5.3655 5.3655 5.7557 5.7557 5.9208 5.9208 6.4986 6.4986 6.5247 6.5247 6.6410 6.6410 6.8248 6.8248 6.8990 6.8990 6.9927 6.9927 7.0341 7.0341 7.3013 7.3013 7.4217 7.4217 7.4860 7.4860 7.7263 7.7263 7.7560 7.7560 8.0820 8.0820 11.1427 11.1427 11.6296 11.6296 12.4520 12.4520 12.7315 12.7315 k =-0.2648 1.0897 0.9053 ( 5267 PWs) bands (ev): -31.8918 -31.8918 -31.8914 -31.8914 -13.2079 -13.2079 -13.2058 -13.2058 -12.8432 -12.8432 -12.8403 -12.8403 -12.8237 -12.8237 -12.8219 -12.8219 -0.3084 -0.3084 0.0450 0.0450 0.2887 0.2887 0.9398 0.9398 3.2565 3.2565 3.4954 3.4954 5.3833 5.3833 5.7626 5.7626 5.9468 5.9468 6.5044 6.5044 6.5640 6.5640 6.6743 6.6743 6.8285 6.8285 6.9013 6.9013 6.9925 6.9925 7.0347 7.0347 7.2893 7.2893 7.3965 7.3965 7.4820 7.4820 7.6798 7.6798 7.7163 7.7163 8.0189 8.0189 11.1486 11.1486 11.5881 11.5881 12.5093 12.5093 12.7679 12.7679 k =-0.2648 1.0897 0.9336 ( 5267 PWs) bands (ev): -31.8917 -31.8917 -31.8914 -31.8914 -13.2080 -13.2080 -13.2062 -13.2062 -12.8429 -12.8429 -12.8403 -12.8403 -12.8244 -12.8244 -12.8228 -12.8228 -0.2296 -0.2296 0.0888 0.0888 0.3047 0.3047 0.8446 0.8446 3.2140 3.2140 3.4253 3.4253 5.4037 5.4037 5.7477 5.7477 5.9928 5.9928 6.4948 6.4948 6.6078 6.6078 6.7125 6.7125 6.8326 6.8326 6.9046 6.9046 6.9931 6.9931 7.0361 7.0361 7.2733 7.2733 7.3600 7.3600 7.4894 7.4894 7.6364 7.6364 7.6841 7.6841 7.9590 7.9590 11.1587 11.1587 11.5453 11.5453 12.5681 12.5681 12.8006 12.8006 k =-0.2648 1.0897 0.9619 ( 5269 PWs) bands (ev): -31.8916 -31.8916 -31.8913 -31.8913 -13.2081 -13.2081 -13.2066 -13.2066 -12.8426 -12.8426 -12.8404 -12.8404 -12.8249 -12.8249 -12.8235 -12.8235 -0.1490 -0.1490 0.1301 0.1301 0.3158 0.3158 0.7497 0.7497 3.1803 3.1803 3.3614 3.3614 5.4265 5.4265 5.7228 5.7228 6.0470 6.0470 6.4776 6.4776 6.6491 6.6491 6.7526 6.7526 6.8375 6.8375 6.9092 6.9092 6.9949 6.9949 7.0388 7.0388 7.2517 7.2517 7.3194 7.3194 7.5006 7.5006 7.5989 7.5989 7.6591 7.6591 7.9024 7.9024 11.1729 11.1729 11.5021 11.5021 12.6272 12.6272 12.8291 12.8291 k =-0.2648 1.0897 0.9902 ( 5268 PWs) bands (ev): -31.8916 -31.8916 -31.8913 -31.8913 -13.2081 -13.2081 -13.2069 -13.2069 -12.8423 -12.8423 -12.8406 -12.8406 -12.8252 -12.8252 -12.8241 -12.8241 -0.0666 -0.0666 0.1684 0.1684 0.3219 0.3219 0.6556 0.6556 3.1560 3.1560 3.3043 3.3043 5.4515 5.4515 5.6936 5.6936 6.1032 6.1032 6.4544 6.4544 6.6850 6.6850 6.7917 6.7917 6.8438 6.8438 6.9160 6.9160 6.9980 6.9980 7.0438 7.0438 7.2233 7.2233 7.2777 7.2777 7.5121 7.5121 7.5696 7.5696 7.6419 7.6419 7.8497 7.8497 11.1912 11.1912 11.4590 11.4590 12.6851 12.6851 12.8524 12.8524 k =-0.2648 1.0897 1.0185 ( 5270 PWs) bands (ev): -31.8915 -31.8915 -31.8913 -31.8913 -13.2081 -13.2081 -13.2072 -13.2072 -12.8421 -12.8421 -12.8407 -12.8407 -12.8255 -12.8255 -12.8246 -12.8246 0.0172 0.0172 0.2030 0.2030 0.3227 0.3227 0.5625 0.5625 3.1413 3.1413 3.2547 3.2547 5.4783 5.4783 5.6626 5.6626 6.1588 6.1588 6.4259 6.4259 6.7133 6.7133 6.8237 6.8237 6.8549 6.8549 6.9266 6.9266 7.0027 7.0027 7.0525 7.0525 7.1880 7.1880 7.2367 7.2367 7.5195 7.5195 7.5508 7.5508 7.6345 7.6345 7.8010 7.8010 11.2134 11.2134 11.4170 11.4170 12.7398 12.7398 12.8691 12.8691 k =-0.2648 1.0897 1.0468 ( 5272 PWs) bands (ev): -31.8914 -31.8914 -31.8913 -31.8913 -13.2080 -13.2080 -13.2074 -13.2074 -12.8418 -12.8418 -12.8409 -12.8409 -12.8256 -12.8256 -12.8250 -12.8250 0.1020 0.1020 0.2328 0.2328 0.3187 0.3187 0.4710 0.4710 3.1364 3.1364 3.2131 3.2131 5.5068 5.5068 5.6308 5.6308 6.2123 6.2123 6.3924 6.3924 6.7330 6.7330 6.8389 6.8389 6.8745 6.8745 6.9427 6.9427 7.0097 7.0097 7.0662 7.0662 7.1483 7.1483 7.1977 7.1977 7.5183 7.5183 7.5441 7.5441 7.6391 7.6391 7.7570 7.7570 11.2395 11.2395 11.3765 11.3765 12.7889 12.7889 12.8773 12.8773 k =-0.2648 1.0897 1.0751 ( 5274 PWs) bands (ev): -31.8914 -31.8914 -31.8913 -31.8913 -13.2079 -13.2079 -13.2076 -13.2076 -12.8416 -12.8416 -12.8411 -12.8411 -12.8257 -12.8257 -12.8253 -12.8253 0.1860 0.1860 0.2555 0.2555 0.3114 0.3114 0.3833 0.3833 3.1413 3.1413 3.1800 3.1800 5.5365 5.5365 5.5989 5.5989 6.2627 6.2627 6.3542 6.3542 6.7442 6.7442 6.8442 6.8442 6.8896 6.8896 6.9613 6.9613 7.0228 7.0228 7.0804 7.0804 7.1134 7.1134 7.1621 7.1621 7.5139 7.5139 7.5429 7.5429 7.6553 7.6553 7.7184 7.7184 11.2692 11.2692 11.3381 11.3381 12.8294 12.8294 12.8746 12.8746 k =-0.2648 1.0897 1.1033 ( 5274 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8414 -12.8414 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2524 0.2524 0.2538 0.2538 0.3157 0.3157 0.3181 0.3181 3.1544 3.1544 3.1575 3.1575 5.5662 5.5662 5.5685 5.5685 6.3027 6.3027 6.3184 6.3184 6.7478 6.7478 6.8457 6.8457 6.8944 6.8944 6.9696 6.9696 7.0383 7.0383 7.0707 7.0707 7.1138 7.1138 7.1401 7.1401 7.5121 7.5121 7.5426 7.5426 7.6736 7.6736 7.6929 7.6929 11.3010 11.3010 11.3033 11.3033 12.8564 12.8564 12.8609 12.8609 k =-0.2648 1.0897 1.1033 ( 5274 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2079 -13.2079 -13.2077 -13.2077 -12.8414 -12.8414 -12.8413 -12.8413 -12.8257 -12.8257 -12.8254 -12.8254 0.2524 0.2524 0.2538 0.2538 0.3157 0.3157 0.3181 0.3181 3.1544 3.1544 3.1575 3.1575 5.5662 5.5662 5.5685 5.5685 6.3027 6.3027 6.3184 6.3184 6.7478 6.7478 6.8457 6.8457 6.8944 6.8944 6.9696 6.9696 7.0383 7.0383 7.0707 7.0707 7.1138 7.1138 7.1401 7.1401 7.5121 7.5121 7.5426 7.5426 7.6736 7.6736 7.6929 7.6929 11.3010 11.3010 11.3033 11.3033 12.8564 12.8564 12.8609 12.8609 k =-0.2713 1.0628 1.1033 ( 5270 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2078 -13.2078 -13.2076 -13.2076 -12.8413 -12.8413 -12.8413 -12.8413 -12.8256 -12.8256 -12.8253 -12.8253 0.2335 0.2335 0.2348 0.2348 0.3200 0.3200 0.3226 0.3226 3.1741 3.1741 3.1779 3.1779 5.5725 5.5725 5.5747 5.5747 6.2993 6.2993 6.3205 6.3205 6.7157 6.7157 6.8207 6.8207 6.9002 6.9002 6.9728 6.9728 7.0532 7.0532 7.0855 7.0855 7.1179 7.1179 7.1557 7.1557 7.5045 7.5045 7.5365 7.5365 7.6874 7.6874 7.7120 7.7120 11.2947 11.2947 11.2964 11.2964 12.8397 12.8397 12.8448 12.8448 k =-0.2778 1.0360 1.1033 ( 5262 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2077 -13.2077 -13.2074 -13.2074 -12.8412 -12.8412 -12.8410 -12.8410 -12.8254 -12.8254 -12.8252 -12.8252 0.2116 0.2116 0.2127 0.2127 0.3223 0.3223 0.3250 0.3250 3.2018 3.2018 3.2065 3.2065 5.5777 5.5777 5.5798 5.5798 6.2963 6.2963 6.3232 6.3232 6.6831 6.6831 6.7905 6.7905 6.9058 6.9058 6.9736 6.9736 7.0668 7.0668 7.0905 7.0905 7.1272 7.1272 7.1812 7.1812 7.4994 7.4994 7.5322 7.5322 7.7071 7.7071 7.7368 7.7368 11.2901 11.2901 11.2911 11.2911 12.8207 12.8207 12.8264 12.8264 k =-0.2844 1.0091 1.1033 ( 5266 PWs) bands (ev): -31.8914 -31.8914 -31.8914 -31.8914 -13.2076 -13.2076 -13.2072 -13.2072 -12.8411 -12.8411 -12.8408 -12.8408 -12.8253 -12.8253 -12.8251 -12.8251 0.1871 0.1871 0.1878 0.1878 0.3226 0.3226 0.3254 0.3254 3.2374 3.2374 3.2428 3.2428 5.5817 5.5817 5.5837 5.5837 6.2928 6.2928 6.3256 6.3256 6.6510 6.6510 6.7596 6.7596 6.9097 6.9097 6.9734 6.9734 7.0756 7.0756 7.0905 7.0905 7.1427 7.1427 7.2098 7.2098 7.4968 7.4968 7.5297 7.5297 7.7328 7.7328 7.7670 7.7670 11.2877 11.2877 11.2880 11.2880 12.7995 12.7995 12.8060 12.8060 k =-0.2909 0.9822 1.1033 ( 5266 PWs) bands (ev): -31.8915 -31.8915 -31.8915 -31.8915 -13.2075 -13.2075 -13.2070 -13.2070 -12.8409 -12.8409 -12.8406 -12.8406 -12.8251 -12.8251 -12.8250 -12.8250 0.1601 0.1601 0.1606 0.1606 0.3211 0.3211 0.3238 0.3238 3.2803 3.2803 3.2865 3.2865 5.5847 5.5847 5.5865 5.5865 6.2882 6.2882 6.3264 6.3264 6.6212 6.6212 6.7300 6.7300 6.9124 6.9124 6.9728 6.9728 7.0800 7.0800 7.0883 7.0883 7.1627 7.1627 7.2376 7.2376 7.4967 7.4967 7.5288 7.5288 7.7642 7.7642 7.8021 7.8021 11.2877 11.2877 11.2882 11.2882 12.7760 12.7760 12.7836 12.7836 k =-0.2974 0.9553 1.1033 ( 5262 PWs) bands (ev): -31.8915 -31.8915 -31.8915 -31.8915 -13.2073 -13.2073 -13.2068 -13.2068 -12.8408 -12.8408 -12.8403 -12.8403 -12.8249 -12.8249 -12.8248 -12.8248 0.1309 0.1309 0.1311 0.1311 0.3179 0.3179 0.3205 0.3205 3.3301 3.3301 3.3371 3.3371 5.5867 5.5867 5.5883 5.5883 6.2814 6.2814 6.3240 6.3240 6.5955 6.5955 6.7035 6.7035 6.9142 6.9142 6.9722 6.9722 7.0820 7.0820 7.0854 7.0854 7.1846 7.1846 7.2630 7.2630 7.4993 7.4993 7.5296 7.5296 7.8008 7.8008 7.8417 7.8417 11.2908 11.2908 11.2919 11.2919 12.7503 12.7503 12.7590 12.7590 k =-0.3040 0.9284 1.1033 ( 5256 PWs) bands (ev): -31.8916 -31.8916 -31.8916 -31.8916 -13.2071 -13.2071 -13.2066 -13.2066 -12.8406 -12.8406 -12.8400 -12.8400 -12.8246 -12.8246 -12.8245 -12.8245 0.0997 0.0997 0.0997 0.0997 0.3131 0.3131 0.3157 0.3157 3.3863 3.3863 3.3940 3.3940 5.5878 5.5878 5.5892 5.5892 6.2715 6.2715 6.3164 6.3164 6.5759 6.5759 6.6810 6.6810 6.9155 6.9155 6.9715 6.9715 7.0820 7.0820 7.0828 7.0828 7.2071 7.2071 7.2856 7.2856 7.5046 7.5046 7.5319 7.5319 7.8423 7.8423 7.8851 7.8851 11.2976 11.2976 11.2995 11.2995 12.7220 12.7220 12.7320 12.7320 k =-0.3105 0.9015 1.1033 ( 5252 PWs) bands (ev): -31.8916 -31.8916 -31.8916 -31.8916 -13.2069 -13.2069 -13.2063 -13.2063 -12.8404 -12.8404 -12.8398 -12.8398 -12.8242 -12.8242 -12.8242 -12.8242 0.0666 0.0666 0.0669 0.0669 0.3071 0.3071 0.3096 0.3096 3.4485 3.4485 3.4568 3.4568 5.5881 5.5881 5.5893 5.5893 6.2578 6.2578 6.3022 6.3022 6.5640 6.5640 6.6635 6.6635 6.9164 6.9164 6.9709 6.9709 7.0784 7.0784 7.0829 7.0829 7.2296 7.2296 7.3055 7.3055 7.5127 7.5127 7.5360 7.5360 7.8879 7.8879 7.9319 7.9319 11.3084 11.3084 11.3110 11.3110 12.6906 12.6906 12.7020 12.7020 k =-0.3170 0.8746 1.1033 ( 5248 PWs) bands (ev): -31.8917 -31.8917 -31.8917 -31.8917 -13.2067 -13.2067 -13.2060 -13.2060 -12.8403 -12.8403 -12.8395 -12.8395 -12.8238 -12.8238 -12.8238 -12.8238 0.0322 0.0322 0.0327 0.0327 0.3000 0.3000 0.3023 0.3023 3.5159 3.5159 3.5249 3.5249 5.5876 5.5876 5.5886 5.5886 6.2397 6.2397 6.2810 6.2810 6.5602 6.5602 6.6514 6.6514 6.9170 6.9170 6.9703 6.9703 7.0747 7.0747 7.0826 7.0826 7.2520 7.2520 7.3231 7.3231 7.5234 7.5234 7.5417 7.5417 7.9370 7.9370 7.9817 7.9817 11.3235 11.3235 11.3270 11.3270 12.6554 12.6554 12.6683 12.6683 k =-0.3236 0.8477 1.1033 ( 5248 PWs) bands (ev): -31.8917 -31.8917 -31.8917 -31.8917 -13.2064 -13.2064 -13.2057 -13.2057 -12.8401 -12.8401 -12.8394 -12.8394 -12.8234 -12.8234 -12.8233 -12.8233 -0.0032 -0.0032 -0.0025 -0.0025 0.2919 0.2919 0.2941 0.2941 3.5882 3.5882 3.5977 3.5977 5.5865 5.5865 5.5872 5.5872 6.2174 6.2174 6.2539 6.2539 6.5632 6.5632 6.6446 6.6446 6.9174 6.9174 6.9697 6.9697 7.0710 7.0710 7.0822 7.0822 7.2743 7.2743 7.3389 7.3389 7.5367 7.5367 7.5491 7.5491 7.9890 7.9890 8.0339 8.0339 11.3431 11.3431 11.3475 11.3475 12.6160 12.6160 12.6302 12.6302 k =-0.3301 0.8208 1.1033 ( 5252 PWs) bands (ev): -31.8918 -31.8918 -31.8918 -31.8918 -13.2062 -13.2062 -13.2054 -13.2054 -12.8400 -12.8400 -12.8392 -12.8392 -12.8228 -12.8228 -12.8228 -12.8228 -0.0394 -0.0394 -0.0386 -0.0386 0.2829 0.2829 0.2851 0.2851 3.6647 3.6647 3.6748 3.6748 5.5848 5.5848 5.5853 5.5853 6.1914 6.1914 6.2224 6.2224 6.5714 6.5714 6.6423 6.6423 6.9178 6.9178 6.9693 6.9693 7.0674 7.0674 7.0815 7.0815 7.2965 7.2965 7.3533 7.3533 7.5524 7.5524 7.5583 7.5583 8.0434 8.0434 8.0882 8.0882 11.3672 11.3672 11.3726 11.3726 12.5719 12.5719 12.5872 12.5872 k =-0.3366 0.7939 1.1033 ( 5252 PWs) bands (ev): -31.8919 -31.8919 -31.8919 -31.8919 -13.2059 -13.2059 -13.2051 -13.2051 -12.8399 -12.8399 -12.8391 -12.8391 -12.8222 -12.8222 -12.8221 -12.8221 -0.0761 -0.0761 -0.0751 -0.0751 0.2734 0.2734 0.2755 0.2755 3.7448 3.7448 3.7556 3.7556 5.5826 5.5826 5.5829 5.5829 6.1623 6.1623 6.1882 6.1882 6.5832 6.5832 6.6437 6.6437 6.9180 6.9180 6.9688 6.9688 7.0637 7.0637 7.0808 7.0808 7.3189 7.3189 7.3669 7.3669 7.5695 7.5695 7.5705 7.5705 8.0999 8.0999 8.1443 8.1443 11.3960 11.3960 11.4023 11.4023 12.5230 12.5230 12.5392 12.5392 k =-0.3432 0.7670 1.1033 ( 5250 PWs) bands (ev): -31.8919 -31.8919 -31.8919 -31.8919 -13.2056 -13.2056 -13.2047 -13.2047 -12.8399 -12.8399 -12.8390 -12.8390 -12.8216 -12.8216 -12.8214 -12.8214 -0.1129 -0.1129 -0.1119 -0.1119 0.2633 0.2633 0.2653 0.2653 3.8281 3.8281 3.8394 3.8394 5.5802 5.5802 5.5802 5.5802 6.1311 6.1311 6.1524 6.1524 6.5972 6.5972 6.6479 6.6479 6.9183 6.9183 6.9684 6.9684 7.0601 7.0601 7.0800 7.0800 7.3415 7.3415 7.3801 7.3801 7.5826 7.5826 7.5907 7.5907 8.1583 8.1583 8.2022 8.2022 11.4292 11.4292 11.4366 11.4366 12.4695 12.4695 12.4865 12.4865 k =-0.3497 0.7401 1.1033 ( 5262 PWs) bands (ev): -31.8920 -31.8920 -31.8920 -31.8920 -13.2053 -13.2053 -13.2044 -13.2044 -12.8399 -12.8399 -12.8390 -12.8390 -12.8208 -12.8208 -12.8207 -12.8207 -0.1498 -0.1498 -0.1486 -0.1486 0.2528 0.2528 0.2547 0.2547 3.9140 3.9140 3.9258 3.9258 5.5774 5.5774 5.5775 5.5775 6.0984 6.0984 6.1159 6.1159 6.6124 6.6124 6.6541 6.6541 6.9185 6.9185 6.9679 6.9679 7.0566 7.0566 7.0790 7.0790 7.3642 7.3642 7.3933 7.3933 7.5978 7.5978 7.6128 7.6128 8.2184 8.2184 8.2617 8.2617 11.4667 11.4667 11.4752 11.4752 12.4117 12.4117 12.4295 12.4295 k =-0.3562 0.7132 1.1033 ( 5262 PWs) bands (ev): -31.8921 -31.8921 -31.8921 -31.8921 -13.2050 -13.2050 -13.2041 -13.2041 -12.8398 -12.8398 -12.8391 -12.8391 -12.8200 -12.8200 -12.8198 -12.8198 -0.1863 -0.1863 -0.1851 -0.1851 0.2420 0.2420 0.2438 0.2438 4.0018 4.0018 4.0142 4.0142 5.5745 5.5745 5.5748 5.5748 6.0650 6.0650 6.0793 6.0793 6.6282 6.6282 6.6614 6.6614 6.9187 6.9187 6.9674 6.9674 7.0532 7.0532 7.0780 7.0780 7.3869 7.3869 7.4066 7.4066 7.6153 7.6153 7.6369 7.6369 8.2801 8.2801 8.3228 8.3228 11.5081 11.5081 11.5178 11.5178 12.3499 12.3499 12.3685 12.3685 k =-0.3628 0.6863 1.1033 ( 5266 PWs) bands (ev): -31.8922 -31.8922 -31.8922 -31.8922 -13.2047 -13.2047 -13.2038 -13.2038 -12.8399 -12.8399 -12.8391 -12.8391 -12.8192 -12.8192 -12.8189 -12.8189 -0.2224 -0.2224 -0.2212 -0.2212 0.2311 0.2311 0.2327 0.2327 4.0911 4.0911 4.1040 4.1040 5.5718 5.5718 5.5723 5.5723 6.0313 6.0313 6.0430 6.0430 6.6440 6.6440 6.6692 6.6692 6.9189 6.9189 6.9668 6.9668 7.0499 7.0499 7.0769 7.0769 7.4096 7.4096 7.4204 7.4204 7.6351 7.6351 7.6627 7.6627 8.3434 8.3434 8.3855 8.3855 11.5526 11.5526 11.5636 11.5636 12.2847 12.2847 12.3041 12.3041 k =-0.3693 0.6594 1.1033 ( 5258 PWs) bands (ev): -31.8922 -31.8922 -31.8922 -31.8922 -13.2044 -13.2044 -13.2035 -13.2035 -12.8400 -12.8400 -12.8392 -12.8392 -12.8182 -12.8182 -12.8180 -12.8180 -0.2578 -0.2578 -0.2565 -0.2565 0.2200 0.2200 0.2216 0.2216 4.1811 4.1811 4.1945 4.1945 5.5695 5.5695 5.5700 5.5700 5.9977 5.9977 6.0073 6.0073 6.6595 6.6595 6.6773 6.6773 6.9192 6.9192 6.9662 6.9662 7.0467 7.0467 7.0758 7.0758 7.4321 7.4321 7.4346 7.4346 7.6574 7.6574 7.6902 7.6902 8.4085 8.4085 8.4500 8.4500 11.5991 11.5991 11.6114 11.6114 12.2170 12.2170 12.2370 12.2370 k =-0.3758 0.6325 1.1033 ( 5266 PWs) bands (ev): -31.8923 -31.8923 -31.8923 -31.8923 -13.2041 -13.2041 -13.2032 -13.2032 -12.8401 -12.8401 -12.8394 -12.8394 -12.8173 -12.8173 -12.8170 -12.8170 -0.2923 -0.2923 -0.2911 -0.2911 0.2089 0.2089 0.2104 0.2104 4.2713 4.2713 4.2851 4.2851 5.5677 5.5677 5.5682 5.5682 5.9647 5.9647 5.9726 5.9726 6.6742 6.6742 6.6850 6.6850 6.9194 6.9194 6.9654 6.9654 7.0436 7.0436 7.0744 7.0744 7.4493 7.4493 7.4541 7.4541 7.6822 7.6822 7.7192 7.7192 8.4752 8.4752 8.5161 8.5161 11.6454 11.6454 11.6587 11.6587 12.1486 12.1486 12.1689 12.1689 k =-0.3824 0.6056 1.1033 ( 5258 PWs) bands (ev): -31.8924 -31.8924 -31.8924 -31.8924 -13.2038 -13.2038 -13.2028 -13.2028 -12.8402 -12.8402 -12.8395 -12.8395 -12.8163 -12.8163 -12.8159 -12.8159 -0.3258 -0.3258 -0.3246 -0.3246 0.1979 0.1979 0.1993 0.1993 4.3609 4.3609 4.3751 4.3751 5.5667 5.5667 5.5672 5.5672 5.9325 5.9325 5.9391 5.9391 6.6881 6.6881 6.6924 6.6924 6.9198 6.9198 6.9646 6.9646 7.0407 7.0407 7.0731 7.0731 7.4645 7.4645 7.4755 7.4755 7.7096 7.7096 7.7498 7.7498 8.5437 8.5437 8.5841 8.5841 11.6872 11.6872 11.7006 11.7006 12.0842 12.0842 12.1035 12.1035 k =-0.3889 0.5787 1.1033 ( 5272 PWs) bands (ev): -31.8925 -31.8925 -31.8925 -31.8925 -13.2035 -13.2035 -13.2026 -13.2026 -12.8404 -12.8404 -12.8397 -12.8397 -12.8153 -12.8153 -12.8149 -12.8149 -0.3582 -0.3582 -0.3569 -0.3569 0.1870 0.1870 0.1884 0.1884 4.4491 4.4491 4.4637 4.4637 5.5668 5.5668 5.5671 5.5671 5.9014 5.9014 5.9069 5.9069 6.6993 6.6993 6.7010 6.7010 6.9201 6.9201 6.9636 6.9636 7.0378 7.0378 7.0714 7.0714 7.4801 7.4801 7.4961 7.4961 7.7395 7.7395 7.7818 7.7818 8.6142 8.6142 8.6541 8.6541 11.7144 11.7144 11.7252 11.7252 12.0344 12.0344 12.0497 12.0497 k =-0.3954 0.5518 1.1033 ( 5272 PWs) bands (ev): -31.8926 -31.8926 -31.8926 -31.8926 -13.2032 -13.2032 -13.2023 -13.2023 -12.8405 -12.8405 -12.8400 -12.8400 -12.8143 -12.8143 -12.8139 -12.8139 -0.3892 -0.3892 -0.3880 -0.3880 0.1764 0.1764 0.1777 0.1777 4.5352 4.5352 4.5500 4.5500 5.5684 5.5684 5.5684 5.5684 5.8715 5.8715 5.8762 5.8762 6.7055 6.7055 6.7128 6.7128 6.9205 6.9205 6.9624 6.9624 7.0352 7.0352 7.0697 7.0697 7.4960 7.4960 7.5158 7.5158 7.7718 7.7718 7.8153 7.8153 8.6866 8.6866 8.7261 8.7261 11.7099 11.7099 11.7135 11.7135 12.0179 12.0179 12.0238 12.0238 k =-0.4020 0.5249 1.1033 ( 5276 PWs) bands (ev): -31.8926 -31.8926 -31.8926 -31.8926 -13.2029 -13.2029 -13.2020 -13.2020 -12.8407 -12.8407 -12.8402 -12.8402 -12.8132 -12.8132 -12.8128 -12.8128 -0.4189 -0.4189 -0.4177 -0.4177 0.1661 0.1661 0.1673 0.1673 4.6183 4.6183 4.6332 4.6332 5.5712 5.5712 5.5717 5.5717 5.8432 5.8432 5.8471 5.8471 6.7112 6.7112 6.7236 6.7236 6.9209 6.9209 6.9611 6.9611 7.0327 7.0327 7.0679 7.0679 7.5121 7.5121 7.5345 7.5345 7.8066 7.8066 7.8501 7.8501 8.7609 8.7609 8.8001 8.8001 11.6591 11.6591 11.6633 11.6633 12.0351 12.0351 12.0395 12.0395 k =-0.4085 0.4980 1.1033 ( 5280 PWs) bands (ev): -31.8927 -31.8927 -31.8927 -31.8927 -13.2026 -13.2026 -13.2018 -13.2018 -12.8409 -12.8409 -12.8404 -12.8404 -12.8122 -12.8122 -12.8118 -12.8118 -0.4470 -0.4470 -0.4459 -0.4459 0.1562 0.1562 0.1573 0.1573 4.6975 4.6975 4.7123 4.7123 5.5760 5.5760 5.5770 5.5770 5.8166 5.8166 5.8200 5.8200 6.7162 6.7162 6.7332 6.7332 6.9213 6.9213 6.9596 6.9596 7.0303 7.0303 7.0658 7.0658 7.5282 7.5282 7.5523 7.5523 7.8435 7.8435 7.8864 7.8864 8.8372 8.8372 8.8761 8.8761 11.5770 11.5770 11.5852 11.5852 12.0713 12.0713 12.0832 12.0832 k =-0.4151 0.4711 1.1033 ( 5292 PWs) bands (ev): -31.8928 -31.8928 -31.8928 -31.8928 -13.2024 -13.2024 -13.2016 -13.2016 -12.8411 -12.8411 -12.8406 -12.8406 -12.8112 -12.8112 -12.8108 -12.8108 -0.4736 -0.4736 -0.4725 -0.4725 0.1466 0.1466 0.1477 0.1477 4.7717 4.7717 4.7863 4.7863 5.5829 5.5829 5.5848 5.5848 5.7921 5.7921 5.7950 5.7950 6.7206 6.7206 6.7416 6.7416 6.9217 6.9217 6.9579 6.9579 7.0282 7.0282 7.0636 7.0636 7.5443 7.5443 7.5690 7.5690 7.8825 7.8825 7.9241 7.9241 8.9153 8.9153 8.9540 8.9540 11.4798 11.4798 11.4891 11.4891 12.1167 12.1167 12.1345 12.1345 k =-0.4216 0.4442 1.1033 ( 5296 PWs) bands (ev): -31.8929 -31.8929 -31.8929 -31.8929 -13.2021 -13.2021 -13.2013 -13.2013 -12.8413 -12.8413 -12.8409 -12.8409 -12.8103 -12.8103 -12.8098 -12.8098 -0.4984 -0.4984 -0.4974 -0.4974 0.1376 0.1376 0.1385 0.1385 4.8401 4.8401 4.8541 4.8541 5.5921 5.5921 5.5949 5.5949 5.7700 5.7700 5.7726 5.7726 6.7245 6.7245 6.7489 6.7489 6.9222 6.9222 6.9560 6.9560 7.0263 7.0263 7.0613 7.0613 7.5600 7.5600 7.5846 7.5846 7.9233 7.9233 7.9631 7.9631 8.9951 8.9951 9.0337 9.0337 11.3736 11.3736 11.3824 11.3824 12.1607 12.1607 12.1841 12.1841 k =-0.4281 0.4173 1.1033 ( 5296 PWs) bands (ev): -31.8929 -31.8929 -31.8929 -31.8929 -13.2019 -13.2019 -13.2011 -13.2011 -12.8415 -12.8415 -12.8411 -12.8411 -12.8093 -12.8093 -12.8089 -12.8089 -0.5215 -0.5215 -0.5206 -0.5206 0.1291 0.1291 0.1300 0.1300 4.9017 4.9017 4.9148 4.9148 5.6032 5.6032 5.6071 5.6071 5.7512 5.7512 5.7534 5.7534 6.7279 6.7279 6.7552 6.7552 6.9227 6.9227 6.9540 6.9540 7.0246 7.0246 7.0588 7.0588 7.5752 7.5752 7.5991 7.5991 7.9658 7.9658 8.0034 8.0034 9.0764 9.0764 9.1151 9.1151 11.2617 11.2617 11.2689 11.2689 12.1930 12.1930 12.2230 12.2230 k =-0.4347 0.3904 1.1033 ( 5292 PWs) bands (ev): -31.8930 -31.8930 -31.8930 -31.8930 -13.2016 -13.2016 -13.2010 -13.2010 -12.8417 -12.8417 -12.8413 -12.8413 -12.8084 -12.8084 -12.8080 -12.8080 -0.5428 -0.5428 -0.5419 -0.5419 0.1212 0.1212 0.1220 0.1220 4.9559 4.9559 4.9680 4.9680 5.6152 5.6152 5.6199 5.6199 5.7370 5.7370 5.7386 5.7386 6.7311 6.7311 6.7603 6.7603 6.9232 6.9232 6.9518 6.9518 7.0233 7.0233 7.0562 7.0562 7.5898 7.5898 7.6124 7.6124 8.0096 8.0096 8.0447 8.0447 9.1590 9.1590 9.1978 9.1978 11.1461 11.1461 11.1509 11.1509 12.2011 12.2011 12.2372 12.2372 k =-0.4412 0.3635 1.1033 ( 5288 PWs) bands (ev): -31.8930 -31.8930 -31.8930 -31.8930 -13.2014 -13.2014 -13.2008 -13.2008 -12.8418 -12.8418 -12.8415 -12.8415 -12.8076 -12.8076 -12.8072 -12.8072 -0.5622 -0.5622 -0.5614 -0.5614 0.1139 0.1139 0.1146 0.1146 5.0024 5.0024 5.0132 5.0132 5.6255 5.6255 5.6305 5.6305 5.7301 5.7301 5.7306 5.7306 6.7339 6.7339 6.7643 6.7643 6.9238 6.9238 6.9495 6.9495 7.0222 7.0222 7.0535 7.0535 7.6036 7.6036 7.6245 7.6245 8.0543 8.0543 8.0868 8.0868 9.2427 9.2427 9.2817 9.2817 11.0283 11.0283 11.0302 11.0302 12.1775 12.1775 12.2145 12.2145 k =-0.4477 0.3366 1.1033 ( 5296 PWs) bands (ev): -31.8931 -31.8931 -31.8931 -31.8931 -13.2012 -13.2012 -13.2007 -13.2007 -12.8420 -12.8420 -12.8417 -12.8417 -12.8068 -12.8068 -12.8065 -12.8065 -0.5797 -0.5797 -0.5790 -0.5790 0.1073 0.1073 0.1079 0.1079 5.0413 5.0413 5.0506 5.0506 5.6308 5.6308 5.6350 5.6350 5.7320 5.7320 5.7335 5.7335 6.7366 6.7366 6.7673 6.7673 6.9243 6.9243 6.9471 6.9471 7.0215 7.0215 7.0506 7.0506 7.6163 7.6163 7.6352 7.6352 8.0994 8.0994 8.1290 8.1290 9.3271 9.3271 9.3663 9.3663 10.9084 10.9084 10.9099 10.9099 12.1305 12.1305 12.1639 12.1639 k =-0.4543 0.3098 1.1033 ( 5284 PWs) bands (ev): -31.8931 -31.8931 -31.8931 -31.8931 -13.2010 -13.2010 -13.2005 -13.2005 -12.8421 -12.8421 -12.8418 -12.8418 -12.8061 -12.8061 -12.8058 -12.8058 -0.5952 -0.5952 -0.5946 -0.5946 0.1013 0.1013 0.1019 0.1019 5.0729 5.0729 5.0808 5.0808 5.6298 5.6298 5.6328 5.6328 5.7433 5.7433 5.7471 5.7471 6.7392 6.7392 6.7693 6.7693 6.9250 6.9250 6.9447 6.9447 7.0211 7.0211 7.0477 7.0477 7.6280 7.6280 7.6448 7.6448 8.1441 8.1441 8.1707 8.1707 9.4121 9.4121 9.4514 9.4514 10.7869 10.7869 10.7920 10.7920 12.0733 12.0733 12.1021 12.1021 k =-0.4608 0.2829 1.1033 ( 5288 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2009 -13.2009 -13.2004 -13.2004 -12.8422 -12.8422 -12.8420 -12.8420 -12.8055 -12.8055 -12.8052 -12.8052 -0.6087 -0.6087 -0.6082 -0.6082 0.0962 0.0962 0.0966 0.0966 5.0981 5.0981 5.1045 5.1045 5.6247 5.6247 5.6267 5.6267 5.7610 5.7610 5.7662 5.7662 6.7418 6.7418 6.7702 6.7702 6.9256 6.9256 6.9423 6.9423 7.0211 7.0211 7.0448 7.0448 7.6384 7.6384 7.6529 7.6529 8.1874 8.1874 8.2108 8.2108 9.4973 9.4973 9.5368 9.5368 10.6670 10.6670 10.6761 10.6761 12.0144 12.0144 12.0387 12.0387 k =-0.4673 0.2560 1.1033 ( 5288 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2007 -13.2007 -13.2003 -13.2003 -12.8423 -12.8423 -12.8422 -12.8422 -12.8049 -12.8049 -12.8047 -12.8047 -0.6202 -0.6202 -0.6197 -0.6197 0.0917 0.0917 0.0921 0.0921 5.1176 5.1176 5.1227 5.1227 5.6181 5.6181 5.6194 5.6194 5.7812 5.7812 5.7871 5.7871 6.7444 6.7444 6.7701 6.7701 6.9263 6.9263 6.9401 6.9401 7.0215 7.0215 7.0418 7.0418 7.6475 7.6475 7.6596 7.6596 8.2281 8.2281 8.2483 8.2483 9.5829 9.5829 9.6223 9.6223 10.5498 10.5498 10.5630 10.5630 11.9588 11.9588 11.9788 11.9788 k =-0.4739 0.2291 1.1033 ( 5280 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2006 -13.2006 -13.2003 -13.2003 -12.8424 -12.8424 -12.8423 -12.8423 -12.8044 -12.8044 -12.8042 -12.8042 -0.6296 -0.6296 -0.6292 -0.6292 0.0881 0.0881 0.0884 0.0884 5.1323 5.1323 5.1362 5.1362 5.6117 5.6117 5.6126 5.6126 5.8010 5.8010 5.8067 5.8067 6.7472 6.7472 6.7693 6.7693 6.9271 6.9271 6.9380 6.9380 7.0222 7.0222 7.0389 7.0389 7.6553 7.6553 7.6650 7.6650 8.2649 8.2649 8.2816 8.2816 9.6688 9.6688 9.7078 9.7078 10.4362 10.4362 10.4536 10.4536 11.9097 11.9097 11.9255 11.9255 k =-0.4804 0.2022 1.1033 ( 5284 PWs) bands (ev): -31.8932 -31.8932 -31.8932 -31.8932 -13.2005 -13.2005 -13.2002 -13.2002 -12.8425 -12.8425 -12.8424 -12.8424 -12.8041 -12.8041 -12.8039 -12.8039 -0.6369 -0.6369 -0.6366 -0.6366 0.0852 0.0852 0.0855 0.0855 5.1430 5.1430 5.1458 5.1458 5.6062 5.6062 5.6068 5.6068 5.8184 5.8184 5.8233 5.8233 6.7502 6.7502 6.7676 6.7676 6.9280 6.9280 6.9360 6.9360 7.0232 7.0232 7.0361 7.0361 7.6616 7.6616 7.6689 7.6689 8.2964 8.2964 8.3092 8.3092 9.7553 9.7553 9.7935 9.7935 10.3269 10.3269 10.3485 10.3485 11.8693 11.8693 11.8811 11.8811 k =-0.4869 0.1753 1.1033 ( 5296 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2004 -13.2004 -13.2002 -13.2002 -12.8425 -12.8425 -12.8425 -12.8425 -12.8038 -12.8038 -12.8037 -12.8037 -0.6421 -0.6421 -0.6420 -0.6420 0.0832 0.0832 0.0833 0.0833 5.1503 5.1503 5.1521 5.1521 5.6021 5.6021 5.6024 5.6024 5.8320 5.8320 5.8356 5.8356 6.7533 6.7533 6.7653 6.7653 6.9289 6.9289 6.9342 6.9342 7.0247 7.0247 7.0333 7.0333 7.6665 7.6665 7.6713 7.6713 8.3208 8.3208 8.3295 8.3295 9.8429 9.8429 9.8797 9.8797 10.2224 10.2224 10.2478 10.2478 11.8396 11.8396 11.8474 11.8474 k =-0.4935 0.1484 1.1033 ( 5304 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8426 -12.8426 -12.8425 -12.8425 -12.8037 -12.8037 -12.8036 -12.8036 -0.6453 -0.6453 -0.6452 -0.6452 0.0820 0.0820 0.0821 0.0821 5.1547 5.1547 5.1556 5.1556 5.5996 5.5996 5.5997 5.5997 5.8410 5.8410 5.8428 5.8428 6.7564 6.7564 6.7626 6.7626 6.9299 6.9299 6.9326 6.9326 7.0264 7.0264 7.0308 7.0308 7.6699 7.6699 7.6723 7.6723 8.3370 8.3370 8.3414 8.3414 9.9321 9.9321 9.9666 9.9666 10.1230 10.1230 10.1518 10.1518 11.8220 11.8220 11.8259 11.8259 k =-0.5000 0.1215 1.1033 ( 5304 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8426 -12.8426 -12.8426 -12.8426 -12.8036 -12.8036 -12.8036 -12.8036 -0.6463 -0.6463 -0.6463 -0.6463 0.0816 0.0816 0.0816 0.0816 5.1564 5.1564 5.1564 5.1564 5.5988 5.5988 5.5988 5.5988 5.8447 5.8447 5.8447 5.8447 6.7596 6.7596 6.7596 6.7596 6.9311 6.9311 6.9311 6.9311 7.0284 7.0284 7.0284 7.0284 7.6718 7.6718 7.6718 7.6718 8.3440 8.3440 8.3440 8.3440 10.0197 10.0197 10.0197 10.0197 10.0638 10.0638 10.0638 10.0638 11.8173 11.8173 11.8173 11.8173 k =-0.5000 0.1215 1.1033 ( 5304 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8426 -12.8426 -12.8426 -12.8426 -12.8036 -12.8036 -12.8036 -12.8036 -0.6463 -0.6463 -0.6463 -0.6463 0.0816 0.0816 0.0816 0.0816 5.1564 5.1564 5.1564 5.1564 5.5988 5.5988 5.5988 5.5988 5.8447 5.8447 5.8447 5.8447 6.7596 6.7596 6.7596 6.7596 6.9311 6.9311 6.9311 6.9311 7.0284 7.0284 7.0284 7.0284 7.6718 7.6718 7.6718 7.6718 8.3440 8.3440 8.3440 8.3440 10.0197 10.0197 10.0197 10.0197 10.0638 10.0638 10.0638 10.0638 11.8173 11.8173 11.8173 11.8173 k =-0.5000 0.1215 1.0751 ( 5302 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2004 -13.2004 -13.2001 -13.2001 -12.8428 -12.8428 -12.8422 -12.8422 -12.8036 -12.8036 -12.8035 -12.8035 -0.7408 -0.7408 -0.5522 -0.5522 -0.0094 -0.0094 0.1761 0.1761 5.1079 5.1079 5.2051 5.2051 5.5495 5.5495 5.6451 5.6451 5.8060 5.8060 5.8832 5.8832 6.6785 6.6785 6.8307 6.8307 6.9283 6.9283 6.9459 6.9459 7.0219 7.0219 7.0387 7.0387 7.6298 7.6298 7.7161 7.7161 8.2840 8.2840 8.4058 8.4058 9.9527 9.9527 9.9827 9.9827 10.0949 10.0949 10.1407 10.1407 11.7440 11.7440 11.8897 11.8897 k =-0.5000 0.1215 1.0468 ( 5290 PWs) bands (ev): -31.8934 -31.8934 -31.8932 -31.8932 -13.2005 -13.2005 -13.1998 -13.1998 -12.8430 -12.8430 -12.8418 -12.8418 -12.8036 -12.8036 -12.8034 -12.8034 -0.8345 -0.8345 -0.4620 -0.4620 -0.0932 -0.0932 0.2729 0.2729 5.0601 5.0601 5.2533 5.2533 5.4975 5.4975 5.6878 5.6878 5.7678 5.7678 5.9215 5.9215 6.5978 6.5978 6.8698 6.8698 6.9294 6.9294 6.9798 6.9798 7.0271 7.0271 7.0570 7.0570 7.5901 7.5901 7.7628 7.7628 8.2257 8.2257 8.4693 8.4693 9.8751 9.8751 9.9221 9.9221 10.1591 10.1591 10.2274 10.2274 11.6704 11.6704 11.9608 11.9608 k =-0.5000 0.1215 1.0185 ( 5278 PWs) bands (ev): -31.8934 -31.8934 -31.8932 -31.8932 -13.2005 -13.2005 -13.1994 -13.1994 -12.8430 -12.8430 -12.8412 -12.8412 -12.8036 -12.8036 -12.8033 -12.8033 -0.9267 -0.9267 -0.3895 -0.3895 -0.1560 -0.1560 0.3711 0.3711 5.0135 5.0135 5.3000 5.3000 5.4435 5.4435 5.7170 5.7170 5.7401 5.7401 5.9595 5.9595 6.5205 6.5205 6.8813 6.8813 6.9323 6.9323 6.9902 6.9902 7.0482 7.0482 7.1165 7.1165 7.5526 7.5526 7.8118 7.8118 8.1693 8.1693 8.5345 8.5345 9.7965 9.7965 9.8653 9.8653 10.2253 10.2253 10.3175 10.3175 11.5968 11.5968 12.0298 12.0298 k =-0.5000 0.1215 0.9902 ( 5274 PWs) bands (ev): -31.8935 -31.8935 -31.8932 -31.8932 -13.2005 -13.2005 -13.1991 -13.1991 -12.8431 -12.8431 -12.8406 -12.8406 -12.8035 -12.8035 -12.8032 -12.8032 -1.0173 -1.0173 -0.3784 -0.3784 -0.1541 -0.1541 0.4704 0.4704 4.9686 4.9686 5.3396 5.3396 5.3925 5.3925 5.6861 5.6861 5.7696 5.7696 5.9970 5.9970 6.4477 6.4477 6.8838 6.8838 6.9360 6.9360 6.9866 6.9866 7.0626 7.0626 7.2113 7.2113 7.5173 7.5173 7.8631 7.8631 8.1148 8.1148 8.6012 8.6012 9.7191 9.7191 9.8112 9.8112 10.2934 10.2934 10.4101 10.4101 11.5236 11.5236 12.0959 12.0959 k =-0.5000 0.1215 0.9619 ( 5286 PWs) bands (ev): -31.8936 -31.8936 -31.8933 -31.8933 -13.2005 -13.2005 -13.1987 -13.1987 -12.8430 -12.8430 -12.8400 -12.8400 -12.8034 -12.8034 -12.8030 -12.8030 -1.1061 -1.1061 -0.4336 -0.4336 -0.0826 -0.0826 0.5703 0.5703 4.9258 4.9258 5.3167 5.3167 5.3997 5.3997 5.6477 5.6477 5.8037 5.8037 6.0337 6.0337 6.3801 6.3801 6.8834 6.8834 6.9402 6.9402 6.9814 6.9814 7.0755 7.0755 7.3165 7.3165 7.4850 7.4850 7.9166 7.9166 8.0625 8.0625 8.6695 8.6695 9.6435 9.6435 9.7593 9.7593 10.3635 10.3635 10.5048 10.5048 11.4510 11.4510 12.1582 12.1582 k =-0.5000 0.1215 0.9336 ( 5294 PWs) bands (ev): -31.8937 -31.8937 -31.8933 -31.8933 -13.2004 -13.2004 -13.1982 -13.1982 -12.8430 -12.8430 -12.8393 -12.8393 -12.8033 -12.8033 -12.8028 -12.8028 -1.1928 -1.1928 -0.5094 -0.5094 0.0129 0.0129 0.6705 0.6705 4.8857 4.8857 5.2575 5.2575 5.4384 5.4384 5.6090 5.6090 5.8355 5.8355 6.0696 6.0696 6.3185 6.3185 6.8821 6.8821 6.9445 6.9445 6.9761 6.9761 7.0886 7.0886 7.4175 7.4175 7.4648 7.4648 7.9698 7.9698 8.0149 8.0149 8.7392 8.7392 9.5700 9.5700 9.7095 9.7095 10.4355 10.4355 10.6017 10.6017 11.3794 11.3794 12.2151 12.2151 k =-0.5000 0.1215 0.9053 ( 5290 PWs) bands (ev): -31.8937 -31.8937 -31.8933 -31.8933 -13.2003 -13.2003 -13.1977 -13.1977 -12.8428 -12.8428 -12.8385 -12.8385 -12.8031 -12.8031 -12.8025 -12.8025 -1.2774 -1.2774 -0.5896 -0.5896 0.1163 0.1163 0.7707 0.7707 4.8486 4.8486 5.1945 5.1945 5.4757 5.4757 5.5706 5.5706 5.8647 5.8647 6.1039 6.1039 6.2639 6.2639 6.8806 6.8806 6.9488 6.9488 6.9716 6.9716 7.1023 7.1023 7.4173 7.4173 7.5522 7.5522 7.9588 7.9588 8.0360 8.0360 8.8103 8.8103 9.4985 9.4985 9.6618 9.6618 10.5095 10.5095 10.7004 10.7004 11.3090 11.3090 12.2639 12.2639 k =-0.5000 0.1215 0.8770 ( 5294 PWs) bands (ev): -31.8939 -31.8939 -31.8934 -31.8934 -13.2001 -13.2001 -13.1971 -13.1971 -12.8426 -12.8426 -12.8376 -12.8376 -12.8029 -12.8029 -12.8023 -12.8023 -1.3599 -1.3599 -0.6703 -0.6703 0.2233 0.2233 0.8704 0.8704 4.8152 4.8152 5.1296 5.1296 5.5069 5.5069 5.5343 5.5343 5.8912 5.8912 6.1334 6.1334 6.2197 6.2197 6.8790 6.8790 6.9525 6.9525 6.9684 6.9684 7.1164 7.1164 7.3917 7.3917 7.6705 7.6705 7.9135 7.9135 8.0961 8.0961 8.8828 8.8828 9.4292 9.4292 9.6161 9.6161 10.5854 10.5854 10.8009 10.8009 11.2401 11.2401 12.2778 12.2778 k =-0.5000 0.1215 0.8487 ( 5298 PWs) bands (ev): -31.8940 -31.8940 -31.8934 -31.8934 -13.1999 -13.1999 -13.1965 -13.1965 -12.8423 -12.8423 -12.8368 -12.8368 -12.8026 -12.8026 -12.8019 -12.8019 -1.4401 -1.4401 -0.7500 -0.7500 0.3327 0.3327 0.9692 0.9692 4.7859 4.7859 5.0637 5.0637 5.4911 5.4911 5.5398 5.5398 5.9152 5.9152 6.1415 6.1415 6.2034 6.2034 6.8776 6.8776 6.9542 6.9542 6.9677 6.9677 7.1310 7.1310 7.3672 7.3672 7.7912 7.7912 7.8708 7.8708 8.1596 8.1596 8.9565 8.9565 9.3621 9.3621 9.5724 9.5724 10.6632 10.6632 10.9029 10.9029 11.1730 11.1730 12.2522 12.2522 k =-0.5000 0.1215 0.8204 ( 5290 PWs) bands (ev): -31.8941 -31.8941 -31.8935 -31.8935 -13.1996 -13.1996 -13.1959 -13.1959 -12.8420 -12.8420 -12.8358 -12.8358 -12.8022 -12.8022 -12.8015 -12.8015 -1.5181 -1.5181 -0.8281 -0.8281 0.4438 0.4438 1.0668 1.0668 4.7613 4.7613 4.9973 4.9973 5.4540 5.4540 5.5605 5.5605 5.9368 5.9368 6.1191 6.1191 6.2245 6.2245 6.8764 6.8764 6.9532 6.9532 6.9702 6.9702 7.1460 7.1460 7.3449 7.3449 7.8215 7.8215 7.9233 7.9233 8.2257 8.2257 9.0314 9.0314 9.2973 9.2973 9.5306 9.5306 10.7427 10.7427 11.0048 11.0048 11.1092 11.1092 12.2254 12.2254 k =-0.5000 0.1215 0.7921 ( 5290 PWs) bands (ev): -31.8942 -31.8942 -31.8936 -31.8936 -13.1993 -13.1993 -13.1952 -13.1952 -12.8416 -12.8416 -12.8349 -12.8349 -12.8018 -12.8018 -12.8010 -12.8010 -1.5937 -1.5937 -0.9043 -0.9043 0.5561 0.5561 1.1625 1.1625 4.7419 4.7419 4.9307 4.9307 5.4167 5.4167 5.5742 5.5742 5.9560 5.9560 6.0948 6.0948 6.2549 6.2549 6.8756 6.8756 6.9510 6.9510 6.9743 6.9743 7.1606 7.1606 7.3257 7.3257 7.7816 7.7816 8.0502 8.0502 8.2938 8.2938 9.1073 9.1073 9.2349 9.2349 9.4910 9.4910 10.8237 10.8237 11.0378 11.0378 11.1178 11.1178 12.1988 12.1988 k =-0.5000 0.1215 0.7639 ( 5304 PWs) bands (ev): -31.8944 -31.8944 -31.8937 -31.8937 -13.1990 -13.1990 -13.1946 -13.1946 -12.8413 -12.8413 -12.8340 -12.8340 -12.8013 -12.8013 -12.8005 -12.8005 -1.6670 -1.6670 -0.9785 -0.9785 0.6693 0.6693 1.2560 1.2560 4.7281 4.7281 4.8645 4.8645 5.3797 5.3797 5.5796 5.5796 5.9728 5.9728 6.0767 6.0767 6.2865 6.2865 6.8751 6.8751 6.9486 6.9486 6.9790 6.9790 7.1738 7.1738 7.3107 7.3107 7.7423 7.7423 8.1805 8.1805 8.3637 8.3637 9.1703 9.1703 9.1886 9.1886 9.4535 9.4535 10.9041 10.9041 10.9814 10.9814 11.2211 11.2211 12.1726 12.1726 k =-0.5000 0.1215 0.7356 ( 5302 PWs) bands (ev): -31.8945 -31.8945 -31.8937 -31.8937 -13.1986 -13.1986 -13.1939 -13.1939 -12.8409 -12.8409 -12.8331 -12.8331 -12.8008 -12.8008 -12.7999 -12.7999 -1.7378 -1.7378 -1.0505 -1.0505 0.7833 0.7833 1.3467 1.3467 4.7205 4.7205 4.7991 4.7991 5.3433 5.3433 5.5768 5.5768 5.9876 5.9876 6.0658 6.0658 6.3182 6.3182 6.8750 6.8750 6.9464 6.9464 6.9838 6.9838 7.1837 7.1837 7.3022 7.3022 7.7045 7.7045 8.3129 8.3129 8.4351 8.4351 9.1156 9.1156 9.2632 9.2632 9.4184 9.4184 10.9132 10.9132 10.9974 10.9974 11.3274 11.3274 12.1468 12.1468 k =-0.5000 0.1215 0.7073 ( 5310 PWs) bands (ev): -31.8947 -31.8947 -31.8938 -31.8938 -13.1982 -13.1982 -13.1932 -13.1932 -12.8405 -12.8405 -12.8323 -12.8323 -12.8001 -12.8001 -12.7992 -12.7992 -1.8062 -1.8062 -1.1201 -1.1201 0.8977 0.8977 1.4340 1.4340 4.7164 4.7164 4.7379 4.7379 5.3076 5.3076 5.5665 5.5665 6.0004 6.0004 6.0613 6.0613 6.3494 6.3494 6.8753 6.8753 6.9444 6.9444 6.9886 6.9886 7.1879 7.1879 7.3026 7.3026 7.6685 7.6685 8.4467 8.4467 8.5073 8.5073 9.0601 9.0601 9.3410 9.3410 9.3868 9.3868 10.8577 10.8577 11.0812 11.0812 11.4340 11.4340 12.1214 12.1214 k =-0.5000 0.1215 0.6790 ( 5316 PWs) bands (ev): -31.8948 -31.8948 -31.8939 -31.8939 -13.1979 -13.1979 -13.1925 -13.1925 -12.8402 -12.8402 -12.8315 -12.8315 -12.7994 -12.7994 -12.7985 -12.7985 -1.8722 -1.8722 -1.1874 -1.1874 1.0123 1.0123 1.5174 1.5174 4.6679 4.6679 4.7299 4.7299 5.2726 5.2726 5.5500 5.5500 6.0112 6.0112 6.0617 6.0617 6.3799 6.3799 6.8761 6.8761 6.9427 6.9427 6.9931 6.9931 7.1857 7.1857 7.3127 7.3127 7.6342 7.6342 8.5779 8.5779 8.5835 8.5835 9.0068 9.0068 9.3546 9.3546 9.4234 9.4234 10.8024 10.8024 11.1683 11.1683 11.5399 11.5399 12.0965 12.0965 k =-0.5000 0.1215 0.6507 ( 5314 PWs) bands (ev): -31.8950 -31.8950 -31.8940 -31.8940 -13.1974 -13.1974 -13.1918 -13.1918 -12.8398 -12.8398 -12.8307 -12.8307 -12.7985 -12.7985 -12.7976 -12.7976 -1.9356 -1.9356 -1.2522 -1.2522 1.1270 1.1270 1.5964 1.5964 4.6063 4.6063 4.7444 4.7444 5.2384 5.2384 5.5289 5.5289 6.0202 6.0202 6.0655 6.0655 6.4098 6.4098 6.8774 6.8774 6.9414 6.9414 6.9973 6.9973 7.1789 7.1789 7.3309 7.3309 7.6016 7.6016 8.6505 8.6505 8.7179 8.7179 8.9560 8.9560 9.3291 9.3291 9.5035 9.5035 10.7490 10.7490 11.2568 11.2568 11.6438 11.6438 12.0717 12.0717 k =-0.5000 0.1215 0.6224 ( 5312 PWs) bands (ev): -31.8951 -31.8951 -31.8941 -31.8941 -13.1970 -13.1970 -13.1910 -13.1910 -12.8395 -12.8395 -12.8300 -12.8300 -12.7976 -12.7976 -12.7967 -12.7967 -1.9965 -1.9965 -1.3146 -1.3146 1.2414 1.2414 1.6705 1.6705 4.5457 4.5457 4.7678 4.7678 5.2051 5.2051 5.5047 5.5047 6.0274 6.0274 6.0712 6.0712 6.4389 6.4389 6.8791 6.8791 6.9401 6.9401 7.0012 7.0012 7.1700 7.1700 7.3546 7.3546 7.5708 7.5708 8.7187 8.7187 8.8527 8.8527 8.9094 8.9094 9.3079 9.3079 9.5848 9.5848 10.6978 10.6978 11.3462 11.3462 11.7438 11.7438 12.0006 12.0006 k =-0.5000 0.1215 0.5941 ( 5306 PWs) bands (ev): -31.8953 -31.8953 -31.8942 -31.8942 -13.1966 -13.1966 -13.1903 -13.1903 -12.8392 -12.8392 -12.8293 -12.8293 -12.7966 -12.7966 -12.7957 -12.7957 -2.0549 -2.0549 -1.3744 -1.3744 1.3553 1.3553 1.7393 1.7393 4.4869 4.4869 4.8002 4.8002 5.1727 5.1727 5.4784 5.4784 6.0330 6.0330 6.0775 6.0775 6.4672 6.4672 6.8812 6.8812 6.9392 6.9392 7.0047 7.0047 7.1606 7.1606 7.3825 7.3825 7.5416 7.5416 8.7800 8.7800 8.8627 8.8627 8.9921 8.9921 9.2933 9.2933 9.6667 9.6667 10.6489 10.6489 11.4361 11.4361 11.8359 11.8359 11.9093 11.9093 k =-0.5000 0.1215 0.5658 ( 5300 PWs) bands (ev): -31.8954 -31.8954 -31.8943 -31.8943 -13.1962 -13.1962 -13.1896 -13.1896 -12.8389 -12.8389 -12.8287 -12.8287 -12.7954 -12.7954 -12.7947 -12.7947 -2.1107 -2.1107 -1.4316 -1.4316 1.4683 1.4683 1.8025 1.8025 4.4301 4.4301 4.8415 4.8415 5.1414 5.1414 5.4509 5.4509 6.0372 6.0372 6.0838 6.0838 6.4947 6.4947 6.8837 6.8837 6.9384 6.9384 7.0075 7.0075 7.1515 7.1515 7.4138 7.4138 7.5140 7.5140 8.8035 8.8035 8.8515 8.8515 9.1274 9.1274 9.2883 9.2883 9.7493 9.7493 10.6026 10.6026 11.5256 11.5256 11.8037 11.8037 11.9248 11.9248 k =-0.5000 0.1215 0.5375 ( 5294 PWs) bands (ev): -31.8956 -31.8956 -31.8945 -31.8945 -13.1958 -13.1958 -13.1889 -13.1889 -12.8387 -12.8387 -12.8282 -12.8282 -12.7942 -12.7942 -12.7935 -12.7935 -2.1639 -2.1639 -1.4862 -1.4862 1.5803 1.5803 1.8599 1.8599 4.3754 4.3754 4.8919 4.8919 5.1112 5.1112 5.4229 5.4229 6.0401 6.0401 6.0892 6.0892 6.5212 6.5212 6.8866 6.8866 6.9377 6.9377 7.0098 7.0098 7.1433 7.1433 7.4478 7.4478 7.4881 7.4881 8.7686 8.7686 8.8886 8.8886 9.2583 9.2583 9.2997 9.2997 9.8322 9.8322 10.5587 10.5587 11.6080 11.6080 11.7015 11.7015 11.9813 11.9813 k =-0.5000 0.1215 0.5092 ( 5296 PWs) bands (ev): -31.8957 -31.8957 -31.8946 -31.8946 -13.1954 -13.1954 -13.1882 -13.1882 -12.8385 -12.8385 -12.8277 -12.8277 -12.7930 -12.7930 -12.7923 -12.7923 -2.2144 -2.2144 -1.5382 -1.5382 1.6907 1.6907 1.9113 1.9113 4.3230 4.3230 4.9512 4.9512 5.0821 5.0821 5.3950 5.3950 6.0420 6.0420 6.0934 6.0934 6.5468 6.5468 6.8896 6.8896 6.9371 6.9371 7.0116 7.0116 7.1363 7.1363 7.4638 7.4638 7.4844 7.4844 8.7301 8.7301 8.9162 8.9162 9.3134 9.3134 9.4006 9.4006 9.9155 9.9155 10.5175 10.5175 11.5622 11.5622 11.7168 11.7168 11.9663 11.9663 k =-0.5000 0.1215 0.4809 ( 5308 PWs) bands (ev): -31.8959 -31.8959 -31.8947 -31.8947 -13.1950 -13.1950 -13.1875 -13.1875 -12.8383 -12.8383 -12.8273 -12.8273 -12.7917 -12.7917 -12.7911 -12.7911 -2.2624 -2.2624 -1.5875 -1.5875 1.7994 1.7994 1.9570 1.9570 4.2731 4.2731 5.0187 5.0187 5.0546 5.0546 5.3673 5.3673 6.0431 6.0431 6.0961 6.0961 6.5715 6.5715 6.8929 6.8929 6.9364 6.9364 7.0128 7.0128 7.1307 7.1307 7.4410 7.4410 7.5233 7.5233 8.6931 8.6931 8.9291 8.9291 9.3510 9.3510 9.5311 9.5311 9.9989 9.9989 10.4789 10.4789 11.4361 11.4361 11.8016 11.8016 11.9501 11.9501 k =-0.5000 0.1215 0.4527 ( 5302 PWs) bands (ev): -31.8960 -31.8960 -31.8948 -31.8948 -13.1946 -13.1946 -13.1869 -13.1869 -12.8382 -12.8382 -12.8270 -12.8270 -12.7904 -12.7904 -12.7898 -12.7898 -2.3077 -2.3077 -1.6341 -1.6341 1.9059 1.9059 1.9969 1.9969 4.2256 4.2256 5.0272 5.0272 5.0954 5.0954 5.3403 5.3403 6.0437 6.0437 6.0974 6.0974 6.5953 6.5953 6.8962 6.8962 6.9359 6.9359 7.0138 7.0138 7.1265 7.1265 7.4198 7.4198 7.5643 7.5643 8.6582 8.6582 8.9296 8.9296 9.3987 9.3987 9.6594 9.6594 10.0823 10.0823 10.4432 10.4432 11.2985 11.2985 11.8852 11.8852 11.9367 11.9367 k =-0.5000 0.1215 0.4244 ( 5298 PWs) bands (ev): -31.8962 -31.8962 -31.8949 -31.8949 -13.1943 -13.1943 -13.1863 -13.1863 -12.8381 -12.8381 -12.8267 -12.8267 -12.7891 -12.7891 -12.7884 -12.7884 -2.3503 -2.3503 -1.6779 -1.6779 2.0097 2.0097 2.0315 2.0315 4.1808 4.1808 5.0021 5.0021 5.1783 5.1783 5.3142 5.3142 6.0441 6.0441 6.0971 6.0971 6.6180 6.6180 6.8995 6.8995 6.9353 6.9353 7.0148 7.0148 7.1237 7.1237 7.4000 7.4000 7.6074 7.6074 8.6255 8.6255 8.9212 8.9212 9.4524 9.4524 9.7831 9.7831 10.1654 10.1654 10.4104 10.4104 11.1535 11.1535 11.9151 11.9151 11.9741 11.9741 k =-0.5000 0.1215 0.3961 ( 5302 PWs) bands (ev): -31.8963 -31.8963 -31.8950 -31.8950 -13.1939 -13.1939 -13.1857 -13.1857 -12.8380 -12.8380 -12.8265 -12.8265 -12.7879 -12.7879 -12.7871 -12.7871 -2.3902 -2.3902 -1.7191 -1.7191 2.0610 2.0610 2.1106 2.1106 4.1387 4.1387 4.9782 4.9782 5.2663 5.2663 5.2904 5.2904 6.0446 6.0446 6.0953 6.0953 6.6399 6.6399 6.9025 6.9025 6.9346 6.9346 7.0161 7.0161 7.1222 7.1222 7.3816 7.3816 7.6524 7.6524 8.5949 8.5949 8.9070 8.9070 9.5084 9.5084 9.8995 9.8995 10.2478 10.2478 10.3806 10.3806 11.0047 11.0047 11.9003 11.9003 12.0466 12.0466 k =-0.5000 0.1215 0.3678 ( 5294 PWs) bands (ev): -31.8964 -31.8964 -31.8951 -31.8951 -13.1936 -13.1936 -13.1851 -13.1851 -12.8379 -12.8379 -12.8264 -12.8264 -12.7866 -12.7866 -12.7856 -12.7856 -2.4275 -2.4275 -1.7575 -1.7575 2.0860 2.0860 2.2078 2.2078 4.0993 4.0993 4.9557 4.9557 5.2641 5.2641 5.3628 5.3628 6.0457 6.0457 6.0922 6.0922 6.6607 6.6607 6.9052 6.9052 6.9337 6.9337 7.0183 7.0183 7.1220 7.1220 7.3647 7.3647 7.6992 7.6992 8.5666 8.5666 8.8891 8.8891 9.5637 9.5637 10.0039 10.0039 10.3276 10.3276 10.3551 10.3551 10.8584 10.8584 11.8801 11.8801 12.0900 12.0903 k =-0.5000 0.1215 0.3395 ( 5298 PWs) bands (ev): -31.8966 -31.8966 -31.8952 -31.8952 -13.1933 -13.1933 -13.1846 -13.1846 -12.8379 -12.8379 -12.8262 -12.8262 -12.7854 -12.7854 -12.7843 -12.7843 -2.4620 -2.4620 -1.7931 -1.7931 2.1069 2.1069 2.3010 2.3010 4.0629 4.0629 4.9347 4.9347 5.2414 5.2414 5.4602 5.4602 6.0482 6.0482 6.0879 6.0879 6.6805 6.6805 6.9071 6.9071 6.9325 6.9325 7.0219 7.0219 7.1231 7.1231 7.3492 7.3492 7.7475 7.7475 8.5405 8.5405 8.8686 8.8686 9.6162 9.6162 10.0850 10.0850 10.3289 10.3289 10.4088 10.4088 10.7273 10.7273 11.8514 11.8514 12.0841 12.0843 k =-0.5000 0.1215 0.3112 ( 5294 PWs) bands (ev): -31.8967 -31.8967 -31.8953 -31.8953 -13.1930 -13.1930 -13.1841 -13.1841 -12.8379 -12.8379 -12.8262 -12.8262 -12.7842 -12.7842 -12.7830 -12.7830 -2.4938 -2.4938 -1.8259 -1.8259 2.1241 2.1241 2.3897 2.3897 4.0293 4.0293 4.9152 4.9152 5.2198 5.2198 5.5584 5.5584 6.0530 6.0530 6.0826 6.0826 6.6993 6.6993 6.9084 6.9084 6.9310 6.9310 7.0272 7.0272 7.1258 7.1258 7.3350 7.3350 7.7972 7.7972 8.5167 8.5167 8.8463 8.8463 9.6644 9.6644 10.1178 10.1178 10.3086 10.3086 10.4823 10.4823 10.6399 10.6399 11.8098 11.8098 12.0693 12.0821 k =-0.5000 0.1215 0.2829 ( 5290 PWs) bands (ev): -31.8968 -31.8968 -31.8954 -31.8954 -13.1927 -13.1927 -13.1837 -13.1837 -12.8379 -12.8379 -12.8261 -12.8261 -12.7831 -12.7831 -12.7817 -12.7817 -2.5229 -2.5229 -1.8559 -1.8559 2.1382 2.1382 2.4733 2.4733 3.9987 3.9987 4.8973 4.8973 5.1997 5.1997 5.6541 5.6541 6.0620 6.0620 6.0769 6.0769 6.7171 6.7171 6.9088 6.9088 6.9292 6.9292 7.0344 7.0344 7.1303 7.1303 7.3222 7.3222 7.8479 7.8479 8.4950 8.4950 8.8226 8.8226 9.7071 9.7071 10.0720 10.0720 10.2914 10.2914 10.5471 10.5471 10.6308 10.6308 11.7534 11.7534 12.0462 12.0490 k =-0.5000 0.1215 0.2546 ( 5294 PWs) bands (ev): -31.8969 -31.8969 -31.8955 -31.8955 -13.1925 -13.1925 -13.1833 -13.1833 -12.8379 -12.8379 -12.8260 -12.8260 -12.7820 -12.7820 -12.7805 -12.7805 -2.5492 -2.5492 -1.8831 -1.8831 2.1495 2.1495 2.5512 2.5512 3.9710 3.9710 4.8809 4.8809 5.1810 5.1810 5.7420 5.7420 6.0688 6.0688 6.0803 6.0803 6.7338 6.7338 6.9083 6.9083 6.9270 6.9270 7.0434 7.0434 7.1376 7.1376 7.3107 7.3107 7.8993 7.8993 8.4754 8.4754 8.7976 8.7976 9.7433 9.7433 9.9608 9.9608 10.2771 10.2771 10.6108 10.6108 10.6798 10.6798 11.6850 11.6850 12.0204 12.0209 k =-0.5000 0.1215 0.2263 ( 5290 PWs) bands (ev): -31.8970 -31.8970 -31.8956 -31.8956 -13.1923 -13.1923 -13.1829 -13.1829 -12.8379 -12.8379 -12.8260 -12.8260 -12.7810 -12.7810 -12.7794 -12.7794 -2.5728 -2.5728 -1.9075 -1.9075 2.1585 2.1585 2.6228 2.6228 3.9464 3.9464 4.8662 4.8662 5.1639 5.1639 5.8152 5.8152 6.0626 6.0626 6.1088 6.1088 6.7494 6.7494 6.9071 6.9071 6.9245 6.9245 7.0534 7.0534 7.1491 7.1491 7.3004 7.3004 7.9510 7.9510 8.4580 8.4580 8.7716 8.7716 9.7653 9.7653 9.8274 9.8274 10.2656 10.2656 10.6803 10.6803 10.7445 10.7445 11.6105 11.6105 11.9991 11.9997 k =-0.5000 0.1215 0.1980 ( 5296 PWs) bands (ev): -31.8971 -31.8971 -31.8956 -31.8956 -13.1921 -13.1921 -13.1826 -13.1826 -12.8380 -12.8380 -12.8260 -12.8260 -12.7802 -12.7802 -12.7784 -12.7784 -2.5937 -2.5937 -1.9290 -1.9290 2.1655 2.1655 2.6876 2.6876 3.9248 3.9248 4.8531 4.8531 5.1485 5.1485 5.8677 5.8677 6.0558 6.0558 6.1537 6.1537 6.7639 6.7639 6.9052 6.9052 6.9217 6.9217 7.0630 7.0630 7.1665 7.1665 7.2915 7.2915 8.0025 8.0025 8.4427 8.4427 8.7446 8.7446 9.6593 9.6593 9.8069 9.8069 10.2566 10.2566 10.7500 10.7500 10.8095 10.8095 11.5358 11.5358 11.9838 11.9842 k =-0.5000 0.1215 0.1697 ( 5296 PWs) bands (ev): -31.8972 -31.8972 -31.8957 -31.8957 -13.1919 -13.1919 -13.1823 -13.1823 -12.8380 -12.8380 -12.8260 -12.8260 -12.7794 -12.7794 -12.7775 -12.7775 -2.6117 -2.6117 -1.9476 -1.9476 2.1710 2.1710 2.7451 2.7451 3.9063 3.9063 4.8418 4.8418 5.1349 5.1349 5.9003 5.9003 6.0492 6.0492 6.2111 6.2111 6.7773 6.7773 6.9028 6.9028 6.9188 6.9188 7.0712 7.0712 7.1913 7.1913 7.2838 7.2838 8.0530 8.0530 8.4296 8.4296 8.7169 8.7169 9.5105 9.5105 9.8244 9.8244 10.2498 10.2498 10.8150 10.8150 10.8704 10.8704 11.4652 11.4652 11.9748 11.9752 k =-0.5000 0.1215 0.1415 ( 5296 PWs) bands (ev): -31.8972 -31.8972 -31.8957 -31.8957 -13.1918 -13.1918 -13.1821 -13.1821 -12.8380 -12.8380 -12.8260 -12.8260 -12.7787 -12.7787 -12.7767 -12.7767 -2.6270 -2.6270 -1.9634 -1.9634 2.1752 2.1752 2.7947 2.7947 3.8907 3.8907 4.8320 4.8320 5.1232 5.1232 5.9188 5.9188 6.0431 6.0431 6.2722 6.2722 6.7894 6.7894 6.9001 6.9001 6.9160 6.9160 7.0773 7.0773 7.2234 7.2234 7.2774 7.2774 8.1018 8.1018 8.4184 8.4184 8.6888 8.6888 9.3670 9.3670 9.8387 9.8387 10.2446 10.2446 10.8724 10.8724 10.9254 10.9254 11.4019 11.4019 11.9710 11.9711 k =-0.5000 0.1215 0.1132 ( 5296 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1917 -13.1917 -13.1818 -13.1818 -12.8380 -12.8380 -12.8260 -12.8260 -12.7781 -12.7781 -12.7760 -12.7760 -2.6396 -2.6396 -1.9764 -1.9764 2.1782 2.1782 2.8359 2.8359 3.8781 3.8781 4.8241 4.8241 5.1134 5.1134 5.9293 5.9293 6.0377 6.0377 6.3289 6.3289 6.7999 6.7999 6.8973 6.8973 6.9133 6.9133 7.0817 7.0817 7.2600 7.2600 7.2735 7.2735 8.1474 8.1474 8.4094 8.4094 8.6610 8.6610 9.2358 9.2358 9.8492 9.8492 10.2408 10.2408 10.9201 10.9201 10.9731 10.9731 11.3480 11.3480 11.9714 11.9728 k =-0.5000 0.1215 0.0849 ( 5300 PWs) bands (ev): -31.8973 -31.8973 -31.8958 -31.8958 -13.1916 -13.1916 -13.1817 -13.1817 -12.8381 -12.8381 -12.8260 -12.8260 -12.7777 -12.7777 -12.7755 -12.7755 -2.6493 -2.6493 -1.9865 -1.9865 2.1804 2.1804 2.8684 2.8684 3.8683 3.8683 4.8179 4.8179 5.1057 5.1057 5.9352 5.9352 6.0333 6.0333 6.3758 6.3758 6.8088 6.8088 6.8945 6.8945 6.9109 6.9109 7.0846 7.0846 7.2670 7.2670 7.3021 7.3021 8.1882 8.1882 8.4024 8.4024 8.6347 8.6347 9.1228 9.1228 9.8565 9.8565 10.2379 10.2379 10.9571 10.9571 11.0124 11.0124 11.3049 11.3049 11.9736 11.9747 k =-0.5000 0.1215 0.0566 ( 5304 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1915 -13.1915 -13.1816 -13.1816 -12.8381 -12.8381 -12.8260 -12.8260 -12.7774 -12.7774 -12.7752 -12.7752 -2.6563 -2.6563 -1.9937 -1.9937 2.1819 2.1819 2.8919 2.8919 3.8614 3.8614 4.8134 4.8134 5.1002 5.1002 5.9385 5.9385 6.0300 6.0300 6.4103 6.4103 6.8156 6.8156 6.8921 6.8921 6.9090 6.9090 7.0865 7.0865 7.2643 7.2643 7.3377 7.3377 8.2214 8.2214 8.3975 8.3975 8.6121 8.6121 9.0346 9.0346 9.8612 9.8612 10.2360 10.2360 10.9831 10.9831 11.0420 11.0420 11.2735 11.2735 11.9747 11.9754 k =-0.5000 0.1215 0.0283 ( 5296 PWs) bands (ev): -31.8974 -31.8974 -31.8958 -31.8958 -13.1915 -13.1915 -13.1815 -13.1815 -12.8381 -12.8381 -12.8260 -12.8260 -12.7772 -12.7772 -12.7749 -12.7749 -2.6604 -2.6604 -1.9980 -1.9980 2.1827 2.1827 2.9061 2.9061 3.8573 3.8573 4.8108 4.8108 5.0969 5.0969 5.9402 5.9402 6.0280 6.0280 6.4312 6.4312 6.8200 6.8200 6.8904 6.8904 6.9078 6.9078 7.0876 7.0876 7.2627 7.2627 7.3630 7.3630 8.2438 8.2438 8.3946 8.3946 8.5963 8.5963 8.9780 8.9780 9.8638 9.8638 10.2348 10.2348 10.9985 10.9985 11.0605 11.0605 11.2545 11.2545 11.9741 11.9782 k =-0.5000 0.1215 0.0000 ( 5292 PWs) bands (ev): -31.8974 -31.8974 -31.8959 -31.8959 -13.1915 -13.1915 -13.1815 -13.1815 -12.8381 -12.8381 -12.8260 -12.8260 -12.7771 -12.7771 -12.7748 -12.7748 -2.6618 -2.6618 -1.9994 -1.9994 2.1830 2.1830 2.9108 2.9108 3.8560 3.8560 4.8099 4.8099 5.0957 5.0957 5.9407 5.9407 6.0273 6.0273 6.4383 6.4383 6.8215 6.8215 6.8898 6.8898 6.9074 6.9074 7.0879 7.0879 7.2621 7.2621 7.3722 7.3722 8.2518 8.2518 8.3936 8.3936 8.5905 8.5905 8.9585 8.9585 9.8646 9.8646 10.2344 10.2344 11.0036 11.0036 11.0667 11.0667 11.2481 11.2481 11.9742 11.9765 k = 0.0000 0.0000 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8041 -12.8041 -12.8041 -12.8041 -0.6985 -0.6985 -0.6985 -0.6985 0.1720 0.1720 0.1720 0.1720 4.7640 4.7640 4.7640 4.7640 5.7783 5.7783 5.7783 5.7783 5.8646 5.8646 5.8646 5.8646 6.6996 6.6996 6.6996 6.6996 6.9251 6.9251 6.9251 6.9251 6.9714 6.9714 6.9714 6.9714 8.2875 8.2875 8.2875 8.2875 8.6478 8.6478 8.6478 8.6478 9.8234 9.8234 9.8234 9.8234 10.3686 10.3686 10.3686 10.3686 10.6700 10.6700 10.6700 10.6700 k =-0.0263 0.0064 1.1033 ( 5316 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8041 -12.8041 -12.8041 -12.8041 -0.6982 -0.6982 -0.6982 -0.6982 0.1715 0.1715 0.1715 0.1715 4.7660 4.7660 4.7660 4.7660 5.7777 5.7777 5.7777 5.7777 5.8644 5.8644 5.8644 5.8644 6.6999 6.6999 6.6999 6.6999 6.9251 6.9251 6.9251 6.9251 6.9716 6.9716 6.9716 6.9716 8.2879 8.2879 8.2879 8.2879 8.6381 8.6381 8.6381 8.6381 9.8278 9.8278 9.8278 9.8278 10.3659 10.3659 10.3659 10.3659 10.6774 10.6774 10.6774 10.6774 k =-0.0526 0.0128 1.1033 ( 5316 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8040 -12.8040 -12.8040 -12.8040 -0.6972 -0.6972 -0.6972 -0.6972 0.1697 0.1697 0.1697 0.1697 4.7720 4.7720 4.7720 4.7720 5.7760 5.7760 5.7760 5.7760 5.8638 5.8638 5.8638 5.8638 6.7008 6.7008 6.7008 6.7008 6.9252 6.9252 6.9252 6.9252 6.9722 6.9722 6.9722 6.9722 8.2889 8.2889 8.2889 8.2889 8.6100 8.6100 8.6100 8.6100 9.8402 9.8402 9.8402 9.8402 10.3582 10.3582 10.3582 10.3582 10.6996 10.6996 10.6996 10.6996 k =-0.0789 0.0192 1.1033 ( 5312 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8040 -12.8040 -12.8040 -12.8040 -0.6956 -0.6956 -0.6956 -0.6956 0.1668 0.1668 0.1668 0.1668 4.7819 4.7819 4.7819 4.7819 5.7730 5.7730 5.7730 5.7730 5.8629 5.8629 5.8629 5.8629 6.7023 6.7023 6.7023 6.7023 6.9253 6.9253 6.9253 6.9253 6.9733 6.9733 6.9733 6.9733 8.2905 8.2905 8.2905 8.2905 8.5659 8.5659 8.5659 8.5659 9.8584 9.8584 9.8584 9.8584 10.3457 10.3457 10.3457 10.3457 10.7361 10.7361 10.7361 10.7361 k =-0.1053 0.0256 1.1033 ( 5312 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8040 -12.8040 -12.8040 -12.8040 -0.6934 -0.6934 -0.6934 -0.6934 0.1629 0.1629 0.1629 0.1629 4.7956 4.7956 4.7956 4.7956 5.7688 5.7688 5.7688 5.7688 5.8617 5.8617 5.8617 5.8617 6.7043 6.7043 6.7043 6.7043 6.9254 6.9254 6.9254 6.9254 6.9749 6.9749 6.9749 6.9749 8.2928 8.2928 8.2928 8.2928 8.5092 8.5092 8.5092 8.5092 9.8796 9.8796 9.8796 9.8796 10.3290 10.3290 10.3290 10.3290 10.7863 10.7863 10.7863 10.7863 k =-0.1316 0.0320 1.1033 ( 5322 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8040 -12.8040 -12.8040 -12.8040 -0.6907 -0.6907 -0.6907 -0.6907 0.1580 0.1580 0.1580 0.1580 4.8129 4.8129 4.8129 4.8129 5.7632 5.7632 5.7632 5.7632 5.8603 5.8603 5.8603 5.8603 6.7069 6.7069 6.7069 6.7069 6.9255 6.9255 6.9255 6.9255 6.9768 6.9768 6.9768 6.9768 8.2954 8.2954 8.2954 8.2954 8.4433 8.4433 8.4433 8.4433 9.9015 9.9015 9.9015 9.9015 10.3088 10.3088 10.3088 10.3088 10.8490 10.8490 10.8490 10.8490 k =-0.1579 0.0384 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8423 -12.8423 -12.8423 -12.8423 -12.8040 -12.8040 -12.8040 -12.8040 -0.6875 -0.6875 -0.6875 -0.6875 0.1523 0.1523 0.1523 0.1523 4.8335 4.8335 4.8335 4.8335 5.7563 5.7563 5.7563 5.7563 5.8587 5.8587 5.8587 5.8587 6.7101 6.7101 6.7101 6.7101 6.9258 6.9258 6.9258 6.9258 6.9791 6.9791 6.9791 6.9791 8.2980 8.2980 8.2980 8.2980 8.3718 8.3718 8.3718 8.3718 9.9225 9.9225 9.9225 9.9225 10.2858 10.2858 10.2858 10.2858 10.9224 10.9224 10.9224 10.9224 k =-0.1842 0.0448 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8424 -12.8424 -12.8424 -12.8424 -12.8039 -12.8039 -12.8039 -12.8039 -0.6839 -0.6839 -0.6839 -0.6839 0.1459 0.1459 0.1459 0.1459 4.8572 4.8572 4.8572 4.8572 5.7478 5.7478 5.7478 5.7478 5.8570 5.8570 5.8570 5.8570 6.7137 6.7137 6.7137 6.7137 6.9261 6.9261 6.9261 6.9261 6.9819 6.9819 6.9819 6.9819 8.2868 8.2868 8.2868 8.2868 8.3109 8.3109 8.3109 8.3109 9.9416 9.9416 9.9416 9.9416 10.2610 10.2610 10.2610 10.2610 11.0046 11.0046 11.0046 11.0046 k =-0.2105 0.0511 1.1033 ( 5320 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8424 -12.8424 -12.8424 -12.8424 -12.8039 -12.8039 -12.8039 -12.8039 -0.6800 -0.6800 -0.6800 -0.6800 0.1389 0.1389 0.1389 0.1389 4.8836 4.8836 4.8836 4.8836 5.7379 5.7379 5.7379 5.7379 5.8553 5.8553 5.8553 5.8553 6.7179 6.7179 6.7179 6.7179 6.9264 6.9264 6.9264 6.9264 6.9850 6.9850 6.9850 6.9850 8.2154 8.2154 8.2154 8.2154 8.3092 8.3092 8.3092 8.3092 9.9585 9.9585 9.9585 9.9585 10.2351 10.2351 10.2351 10.2351 11.0932 11.0932 11.0932 11.0932 k =-0.2368 0.0575 1.1033 ( 5310 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8424 -12.8424 -12.8424 -12.8424 -12.8038 -12.8038 -12.8038 -12.8038 -0.6758 -0.6758 -0.6758 -0.6758 0.1316 0.1316 0.1316 0.1316 4.9123 4.9123 4.9123 4.9123 5.7264 5.7264 5.7264 5.7264 5.8536 5.8536 5.8536 5.8536 6.7225 6.7225 6.7225 6.7225 6.9268 6.9268 6.9268 6.9268 6.9887 6.9887 6.9887 6.9887 8.1389 8.1389 8.1389 8.1389 8.3131 8.3131 8.3131 8.3131 9.9732 9.9732 9.9732 9.9732 10.2089 10.2089 10.2089 10.2089 11.1858 11.1858 11.1858 11.1858 k =-0.2632 0.0639 1.1033 ( 5310 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8424 -12.8424 -12.8424 -12.8424 -12.8038 -12.8038 -12.8038 -12.8038 -0.6715 -0.6715 -0.6715 -0.6715 0.1242 0.1242 0.1242 0.1242 4.9427 4.9427 4.9427 4.9427 5.7134 5.7134 5.7134 5.7134 5.8520 5.8520 5.8520 5.8520 6.7273 6.7273 6.7273 6.7273 6.9273 6.9273 6.9273 6.9273 6.9927 6.9927 6.9927 6.9927 8.0640 8.0640 8.0640 8.0640 8.3174 8.3174 8.3174 8.3174 9.9857 9.9857 9.9857 9.9857 10.1832 10.1832 10.1832 10.1832 11.2802 11.2802 11.2802 11.2802 k =-0.2895 0.0703 1.1033 ( 5302 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8424 -12.8424 -12.8424 -12.8424 -12.8038 -12.8038 -12.8038 -12.8038 -0.6672 -0.6672 -0.6672 -0.6672 0.1168 0.1168 0.1168 0.1168 4.9744 4.9744 4.9744 4.9744 5.6992 5.6992 5.6992 5.6992 5.8506 5.8506 5.8506 5.8506 6.7323 6.7323 6.7323 6.7323 6.9278 6.9278 6.9278 6.9278 6.9971 6.9971 6.9971 6.9971 7.9923 7.9923 7.9923 7.9923 8.3219 8.3219 8.3219 8.3219 9.9962 9.9962 9.9962 9.9962 10.1587 10.1587 10.1587 10.1587 11.3737 11.3737 11.3737 11.3737 k =-0.3158 0.0767 1.1033 ( 5296 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8424 -12.8424 -12.8424 -12.8424 -12.8037 -12.8037 -12.8037 -12.8037 -0.6630 -0.6630 -0.6630 -0.6630 0.1096 0.1096 0.1096 0.1096 5.0065 5.0065 5.0065 5.0065 5.6837 5.6837 5.6837 5.6837 5.8493 5.8493 5.8493 5.8493 6.7374 6.7374 6.7374 6.7374 6.9284 6.9284 6.9284 6.9284 7.0019 7.0019 7.0019 7.0019 7.9249 7.9249 7.9250 7.9250 8.3264 8.3264 8.3264 8.3264 10.0048 10.0048 10.0048 10.0048 10.1359 10.1359 10.1359 10.1359 11.4641 11.4641 11.4641 11.4641 k =-0.3421 0.0831 1.1033 ( 5292 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8425 -12.8425 -12.8425 -12.8425 -12.8037 -12.8037 -12.8037 -12.8037 -0.6591 -0.6591 -0.6591 -0.6591 0.1029 0.1029 0.1029 0.1029 5.0383 5.0383 5.0383 5.0383 5.6675 5.6675 5.6675 5.6675 5.8481 5.8481 5.8481 5.8481 6.7424 6.7424 6.7424 6.7424 6.9290 6.9290 6.9290 6.9290 7.0069 7.0069 7.0069 7.0069 7.8633 7.8633 7.8633 7.8633 8.3305 8.3305 8.3305 8.3305 10.0116 10.0116 10.0116 10.0116 10.1155 10.1155 10.1155 10.1155 11.5489 11.5489 11.5489 11.5489 k =-0.3684 0.0895 1.1033 ( 5296 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8425 -12.8425 -12.8425 -12.8425 -12.8036 -12.8036 -12.8036 -12.8036 -0.6554 -0.6554 -0.6554 -0.6554 0.0968 0.0968 0.0968 0.0968 5.0688 5.0688 5.0688 5.0688 5.6511 5.6511 5.6511 5.6511 5.8470 5.8470 5.8470 5.8470 6.7471 6.7471 6.7471 6.7471 6.9296 6.9296 6.9296 6.9296 7.0120 7.0120 7.0120 7.0120 7.8083 7.8083 7.8083 7.8083 8.3344 8.3344 8.3344 8.3344 10.0166 10.0166 10.0166 10.0166 10.0981 10.0981 10.0981 10.0981 11.6255 11.6255 11.6255 11.6255 k =-0.3947 0.0959 1.1033 ( 5288 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8425 -12.8425 -12.8425 -12.8425 -12.8036 -12.8036 -12.8036 -12.8036 -0.6523 -0.6523 -0.6523 -0.6523 0.0916 0.0916 0.0916 0.0916 5.0969 5.0969 5.0969 5.0969 5.6352 5.6352 5.6352 5.6352 5.8462 5.8462 5.8462 5.8462 6.7512 6.7512 6.7512 6.7512 6.9301 6.9301 6.9301 6.9301 7.0170 7.0170 7.0170 7.0170 7.7612 7.7612 7.7612 7.7612 8.3377 8.3377 8.3377 8.3377 10.0198 10.0198 10.0198 10.0198 10.0842 10.0842 10.0842 10.0842 11.6918 11.6918 11.6918 11.6918 k =-0.4211 0.1023 1.1033 ( 5288 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2002 -13.2002 -13.2002 -13.2002 -12.8425 -12.8425 -12.8425 -12.8425 -12.8036 -12.8036 -12.8036 -12.8036 -0.6497 -0.6497 -0.6497 -0.6497 0.0873 0.0873 0.0873 0.0873 5.1212 5.1212 5.1212 5.1212 5.6208 5.6208 5.6208 5.6208 5.8455 5.8455 5.8455 5.8455 6.7547 6.7547 6.7547 6.7547 6.9306 6.9306 6.9306 6.9306 7.0216 7.0216 7.0216 7.0216 7.7231 7.7231 7.7231 7.7231 8.3404 8.3404 8.3404 8.3404 10.0210 10.0210 10.0210 10.0210 10.0742 10.0742 10.0742 10.0742 11.7455 11.7455 11.7455 11.7455 k =-0.4474 0.1087 1.1033 ( 5296 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8425 -12.8425 -12.8425 -12.8425 -12.8036 -12.8036 -12.8036 -12.8036 -0.6478 -0.6478 -0.6478 -0.6478 0.0842 0.0842 0.0842 0.0842 5.1401 5.1401 5.1401 5.1401 5.6092 5.6092 5.6092 5.6092 5.8450 5.8450 5.8450 5.8450 6.7574 6.7574 6.7574 6.7574 6.9309 6.9309 6.9309 6.9309 7.0252 7.0252 7.0252 7.0252 7.6950 7.6950 7.6950 7.6950 8.3424 8.3424 8.3424 8.3424 10.0208 10.0208 10.0208 10.0208 10.0679 10.0679 10.0679 10.0679 11.7851 11.7851 11.7851 11.7851 k =-0.4737 0.1151 1.1033 ( 5296 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8425 -12.8425 -12.8425 -12.8425 -12.8036 -12.8036 -12.8036 -12.8036 -0.6467 -0.6467 -0.6467 -0.6467 0.0823 0.0823 0.0823 0.0823 5.1522 5.1522 5.1522 5.1522 5.6015 5.6015 5.6015 5.6015 5.8448 5.8448 5.8448 5.8448 6.7590 6.7590 6.7590 6.7590 6.9311 6.9311 6.9311 6.9311 7.0276 7.0276 7.0276 7.0276 7.6777 7.6777 7.6777 7.6777 8.3436 8.3436 8.3436 8.3436 10.0201 10.0201 10.0201 10.0201 10.0648 10.0648 10.0648 10.0648 11.8092 11.8092 11.8092 11.8092 k =-0.5000 0.1215 1.1033 ( 5304 PWs) bands (ev): -31.8933 -31.8933 -31.8933 -31.8933 -13.2003 -13.2003 -13.2003 -13.2003 -12.8426 -12.8426 -12.8426 -12.8426 -12.8036 -12.8036 -12.8036 -12.8036 -0.6463 -0.6463 -0.6463 -0.6463 0.0816 0.0816 0.0816 0.0816 5.1564 5.1564 5.1564 5.1564 5.5988 5.5988 5.5988 5.5988 5.8447 5.8447 5.8447 5.8447 6.7596 6.7596 6.7596 6.7596 6.9311 6.9311 6.9311 6.9311 7.0284 7.0284 7.0284 7.0284 7.6718 7.6718 7.6718 7.6718 8.3440 8.3440 8.3440 8.3440 10.0197 10.0197 10.0197 10.0197 10.0638 10.0638 10.0638 10.0638 11.8173 11.8173 11.8173 11.8173 Writing output data file CaNiGe2.save init_run : 0.40s CPU 0.81s WALL ( 1 calls) electrons : 643.32s CPU 650.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 643.30s CPU 650.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.14s WALL ( 378 calls) cegterg : 608.68s CPU 614.57s WALL ( 1128 calls) Called by sum_band: Called by *egterg: h_psi : 342.30s CPU 345.97s WALL ( 20222 calls) s_psi : 32.82s CPU 32.98s WALL ( 20222 calls) g_psi : 0.86s CPU 0.81s WALL ( 18716 calls) cdiaghg : 195.27s CPU 197.58s WALL ( 19094 calls) cegterg:over : 24.17s CPU 24.36s WALL ( 18716 calls) cegterg:upda : 22.62s CPU 22.74s WALL ( 18716 calls) cegterg:last : 10.74s CPU 10.64s WALL ( 2624 calls) cdiaghg:chol : 11.30s CPU 11.42s WALL ( 19094 calls) cdiaghg:inve : 7.90s CPU 8.06s WALL ( 19094 calls) cdiaghg:para : 13.22s CPU 13.14s WALL ( 38188 calls) Called by h_psi: h_psi:vloc : 297.66s CPU 301.01s WALL ( 20222 calls) h_psi:vnl : 43.77s CPU 44.13s WALL ( 20222 calls) add_vuspsi : 22.99s CPU 23.11s WALL ( 20222 calls) General routines calbec : 20.69s CPU 20.96s WALL ( 20222 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 271.84s CPU 274.80s WALL ( 2033132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.38s WALL ( 756 calls) Parallel routines fft_scatter : 67.22s CPU 68.24s WALL ( 2033155 calls) PWSCF : 11m 9.98s CPU 11m55.55s WALL This run was terminated on: 16:58:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=