Program PWSCF v.5.1.1 starts on 16Jul2015 at 14: 9:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaCl2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 25 7 1740 941 149 Max 39 26 8 1744 972 152 Sum 1827 1223 353 83595 45867 7207 bravais-lattice index = 14 lattice parameter (alat) = 8.5491 a.u. unit-cell volume = 1089.4987 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 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)= 8.549120 celldm(2)= 1.143236 celldm(3)= 1.525199 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.143236 0.000000 ) a(3) = ( 0.000000 0.000000 1.525199 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.874710 -0.000000 ) b(3) = ( 0.000000 0.000000 0.655652 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ca 10.00 40.07800 Ca( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [1,0,0] 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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0027174 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0027174 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0027174 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0027174 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0027174 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0027174 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0027174 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0027174 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0027174 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0027174 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0027174 k( 22) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0027174 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0027174 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0027174 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0027174 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0027174 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0027174 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0027174 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0027174 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0027174 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0027174 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0027174 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 38) = ( 0.5000000 0.0141082 -0.0000000), wk = 0.0027174 k( 39) = ( 0.5000000 0.0282164 -0.0000000), wk = 0.0027174 k( 40) = ( 0.5000000 0.0423247 -0.0000000), wk = 0.0027174 k( 41) = ( 0.5000000 0.0564329 -0.0000000), wk = 0.0027174 k( 42) = ( 0.5000000 0.0705411 -0.0000000), wk = 0.0027174 k( 43) = ( 0.5000000 0.0846493 -0.0000000), wk = 0.0027174 k( 44) = ( 0.5000000 0.0987576 -0.0000000), wk = 0.0027174 k( 45) = ( 0.5000000 0.1128658 -0.0000000), wk = 0.0027174 k( 46) = ( 0.5000000 0.1269740 -0.0000000), wk = 0.0027174 k( 47) = ( 0.5000000 0.1410823 -0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.1551905 -0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.1692987 -0.0000000), wk = 0.0027174 k( 50) = ( 0.5000000 0.1834069 -0.0000000), wk = 0.0027174 k( 51) = ( 0.5000000 0.1975152 -0.0000000), wk = 0.0027174 k( 52) = ( 0.5000000 0.2116234 -0.0000000), wk = 0.0027174 k( 53) = ( 0.5000000 0.2257316 -0.0000000), wk = 0.0027174 k( 54) = ( 0.5000000 0.2398398 -0.0000000), wk = 0.0027174 k( 55) = ( 0.5000000 0.2539481 -0.0000000), wk = 0.0027174 k( 56) = ( 0.5000000 0.2680563 -0.0000000), wk = 0.0027174 k( 57) = ( 0.5000000 0.2821645 -0.0000000), wk = 0.0027174 k( 58) = ( 0.5000000 0.2962727 -0.0000000), wk = 0.0027174 k( 59) = ( 0.5000000 0.3103810 -0.0000000), wk = 0.0027174 k( 60) = ( 0.5000000 0.3244892 -0.0000000), wk = 0.0027174 k( 61) = ( 0.5000000 0.3385974 -0.0000000), wk = 0.0027174 k( 62) = ( 0.5000000 0.3527056 -0.0000000), wk = 0.0027174 k( 63) = ( 0.5000000 0.3668139 -0.0000000), wk = 0.0027174 k( 64) = ( 0.5000000 0.3809221 -0.0000000), wk = 0.0027174 k( 65) = ( 0.5000000 0.3950303 -0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.4091385 -0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.4232468 -0.0000000), wk = 0.0027174 k( 68) = ( 0.5000000 0.4373550 -0.0000000), wk = 0.0027174 k( 69) = ( 0.5000000 0.4373550 -0.0000000), wk = 0.0027174 k( 70) = ( 0.4857143 0.4373550 -0.0000000), wk = 0.0027174 k( 71) = ( 0.4714286 0.4373550 -0.0000000), wk = 0.0027174 k( 72) = ( 0.4571429 0.4373550 -0.0000000), wk = 0.0027174 k( 73) = ( 0.4428571 0.4373550 -0.0000000), wk = 0.0027174 k( 74) = ( 0.4285714 0.4373550 -0.0000000), wk = 0.0027174 k( 75) = ( 0.4142857 0.4373550 -0.0000000), wk = 0.0027174 k( 76) = ( 0.4000000 0.4373550 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3857143 0.4373550 -0.0000000), wk = 0.0027174 k( 78) = ( 0.3714286 0.4373550 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3571429 0.4373550 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3428571 0.4373550 -0.0000000), wk = 0.0027174 k( 81) = ( 0.3285714 0.4373550 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3142857 0.4373550 -0.0000000), wk = 0.0027174 k( 83) = ( 0.3000000 0.4373550 -0.0000000), wk = 0.0027174 k( 84) = ( 0.2857143 0.4373550 -0.0000000), wk = 0.0027174 k( 85) = ( 0.2714286 0.4373550 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2571429 0.4373550 -0.0000000), wk = 0.0027174 k( 87) = ( 0.2428571 0.4373550 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2285714 0.4373550 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2142857 0.4373550 -0.0000000), wk = 0.0027174 k( 90) = ( 0.2000000 0.4373550 -0.0000000), wk = 0.0027174 k( 91) = ( 0.1857143 0.4373550 -0.0000000), wk = 0.0027174 k( 92) = ( 0.1714286 0.4373550 -0.0000000), wk = 0.0027174 k( 93) = ( 0.1571429 0.4373550 -0.0000000), wk = 0.0027174 k( 94) = ( 0.1428571 0.4373550 -0.0000000), wk = 0.0027174 k( 95) = ( 0.1285714 0.4373550 -0.0000000), wk = 0.0027174 k( 96) = ( 0.1142857 0.4373550 -0.0000000), wk = 0.0027174 k( 97) = ( 0.1000000 0.4373550 -0.0000000), wk = 0.0027174 k( 98) = ( 0.0857143 0.4373550 -0.0000000), wk = 0.0027174 k( 99) = ( 0.0714286 0.4373550 -0.0000000), wk = 0.0027174 k( 100) = ( 0.0571429 0.4373550 -0.0000000), wk = 0.0027174 k( 101) = ( 0.0428571 0.4373550 -0.0000000), wk = 0.0027174 k( 102) = ( 0.0285714 0.4373550 -0.0000000), wk = 0.0027174 k( 103) = ( 0.0142857 0.4373550 -0.0000000), wk = 0.0027174 k( 104) = ( 0.0000000 0.4373550 -0.0000000), wk = 0.0027174 k( 105) = ( 0.0000000 0.4373550 -0.0000000), wk = 0.0027174 k( 106) = ( 0.0000000 0.4232468 -0.0000000), wk = 0.0027174 k( 107) = ( 0.0000000 0.4091385 -0.0000000), wk = 0.0027174 k( 108) = ( 0.0000000 0.3950303 -0.0000000), wk = 0.0027174 k( 109) = ( 0.0000000 0.3809221 -0.0000000), wk = 0.0027174 k( 110) = ( 0.0000000 0.3668139 -0.0000000), wk = 0.0027174 k( 111) = ( 0.0000000 0.3527056 -0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.3385974 -0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.3244892 -0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.3103810 -0.0000000), wk = 0.0027174 k( 115) = ( 0.0000000 0.2962727 -0.0000000), wk = 0.0027174 k( 116) = ( 0.0000000 0.2821645 -0.0000000), wk = 0.0027174 k( 117) = ( 0.0000000 0.2680563 -0.0000000), wk = 0.0027174 k( 118) = ( 0.0000000 0.2539481 -0.0000000), wk = 0.0027174 k( 119) = ( 0.0000000 0.2398398 -0.0000000), wk = 0.0027174 k( 120) = ( 0.0000000 0.2257316 -0.0000000), wk = 0.0027174 k( 121) = ( 0.0000000 0.2116234 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0000000 0.1975152 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0000000 0.1834069 -0.0000000), wk = 0.0027174 k( 124) = ( 0.0000000 0.1692987 -0.0000000), wk = 0.0027174 k( 125) = ( 0.0000000 0.1551905 -0.0000000), wk = 0.0027174 k( 126) = ( 0.0000000 0.1410823 -0.0000000), wk = 0.0027174 k( 127) = ( 0.0000000 0.1269740 -0.0000000), wk = 0.0027174 k( 128) = ( 0.0000000 0.1128658 -0.0000000), wk = 0.0027174 k( 129) = ( 0.0000000 0.0987576 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0000000 0.0846493 -0.0000000), wk = 0.0027174 k( 131) = ( 0.0000000 0.0705411 -0.0000000), wk = 0.0027174 k( 132) = ( 0.0000000 0.0564329 -0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0423247 -0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0282164 -0.0000000), wk = 0.0027174 k( 135) = ( 0.0000000 0.0141082 -0.0000000), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.0142533), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.0285066), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.0427599), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.0570132), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.0712665), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.0855198), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.0997732), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.1140265), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.1282798), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.1425331), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.1567864), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.1710397), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.1852930), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.1995463), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.2137996), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.2280529), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.2423062), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.2565595), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.2708129), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.2850662), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.2993195), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.3135728), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.3278261), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.3278261), wk = 0.0027174 k( 162) = ( 0.0142857 -0.0000000 0.3278261), wk = 0.0027174 k( 163) = ( 0.0285714 -0.0000000 0.3278261), wk = 0.0027174 k( 164) = ( 0.0428571 -0.0000000 0.3278261), wk = 0.0027174 k( 165) = ( 0.0571429 -0.0000000 0.3278261), wk = 0.0027174 k( 166) = ( 0.0714286 -0.0000000 0.3278261), wk = 0.0027174 k( 167) = ( 0.0857143 -0.0000000 0.3278261), wk = 0.0027174 k( 168) = ( 0.1000000 -0.0000000 0.3278261), wk = 0.0027174 k( 169) = ( 0.1142857 -0.0000000 0.3278261), wk = 0.0027174 k( 170) = ( 0.1285714 -0.0000000 0.3278261), wk = 0.0027174 k( 171) = ( 0.1428571 -0.0000000 0.3278261), wk = 0.0027174 k( 172) = ( 0.1571429 -0.0000000 0.3278261), wk = 0.0027174 k( 173) = ( 0.1714286 -0.0000000 0.3278261), wk = 0.0027174 k( 174) = ( 0.1857143 -0.0000000 0.3278261), wk = 0.0027174 k( 175) = ( 0.2000000 -0.0000000 0.3278261), wk = 0.0027174 k( 176) = ( 0.2142857 -0.0000000 0.3278261), wk = 0.0027174 k( 177) = ( 0.2285714 -0.0000000 0.3278261), wk = 0.0027174 k( 178) = ( 0.2428571 -0.0000000 0.3278261), wk = 0.0027174 k( 179) = ( 0.2571429 -0.0000000 0.3278261), wk = 0.0027174 k( 180) = ( 0.2714286 -0.0000000 0.3278261), wk = 0.0027174 k( 181) = ( 0.2857143 -0.0000000 0.3278261), wk = 0.0027174 k( 182) = ( 0.3000000 -0.0000000 0.3278261), wk = 0.0027174 k( 183) = ( 0.3142857 -0.0000000 0.3278261), wk = 0.0027174 k( 184) = ( 0.3285714 -0.0000000 0.3278261), wk = 0.0027174 k( 185) = ( 0.3428571 -0.0000000 0.3278261), wk = 0.0027174 k( 186) = ( 0.3571429 -0.0000000 0.3278261), wk = 0.0027174 k( 187) = ( 0.3714286 -0.0000000 0.3278261), wk = 0.0027174 k( 188) = ( 0.3857143 -0.0000000 0.3278261), wk = 0.0027174 k( 189) = ( 0.4000000 -0.0000000 0.3278261), wk = 0.0027174 k( 190) = ( 0.4142857 -0.0000000 0.3278261), wk = 0.0027174 k( 191) = ( 0.4285714 -0.0000000 0.3278261), wk = 0.0027174 k( 192) = ( 0.4428571 -0.0000000 0.3278261), wk = 0.0027174 k( 193) = ( 0.4571429 -0.0000000 0.3278261), wk = 0.0027174 k( 194) = ( 0.4714286 -0.0000000 0.3278261), wk = 0.0027174 k( 195) = ( 0.4857143 -0.0000000 0.3278261), wk = 0.0027174 k( 196) = ( 0.5000000 -0.0000000 0.3278261), wk = 0.0027174 k( 197) = ( 0.5000000 -0.0000000 0.3278261), wk = 0.0027174 k( 198) = ( 0.5000000 0.0141082 0.3278261), wk = 0.0027174 k( 199) = ( 0.5000000 0.0282164 0.3278261), wk = 0.0027174 k( 200) = ( 0.5000000 0.0423247 0.3278261), wk = 0.0027174 k( 201) = ( 0.5000000 0.0564329 0.3278261), wk = 0.0027174 k( 202) = ( 0.5000000 0.0705411 0.3278261), wk = 0.0027174 k( 203) = ( 0.5000000 0.0846493 0.3278261), wk = 0.0027174 k( 204) = ( 0.5000000 0.0987576 0.3278261), wk = 0.0027174 k( 205) = ( 0.5000000 0.1128658 0.3278261), wk = 0.0027174 k( 206) = ( 0.5000000 0.1269740 0.3278261), wk = 0.0027174 k( 207) = ( 0.5000000 0.1410823 0.3278261), wk = 0.0027174 k( 208) = ( 0.5000000 0.1551905 0.3278261), wk = 0.0027174 k( 209) = ( 0.5000000 0.1692987 0.3278261), wk = 0.0027174 k( 210) = ( 0.5000000 0.1834069 0.3278261), wk = 0.0027174 k( 211) = ( 0.5000000 0.1975152 0.3278261), wk = 0.0027174 k( 212) = ( 0.5000000 0.2116234 0.3278261), wk = 0.0027174 k( 213) = ( 0.5000000 0.2257316 0.3278261), wk = 0.0027174 k( 214) = ( 0.5000000 0.2398398 0.3278261), wk = 0.0027174 k( 215) = ( 0.5000000 0.2539481 0.3278261), wk = 0.0027174 k( 216) = ( 0.5000000 0.2680563 0.3278261), wk = 0.0027174 k( 217) = ( 0.5000000 0.2821645 0.3278261), wk = 0.0027174 k( 218) = ( 0.5000000 0.2962727 0.3278261), wk = 0.0027174 k( 219) = ( 0.5000000 0.3103810 0.3278261), wk = 0.0027174 k( 220) = ( 0.5000000 0.3244892 0.3278261), wk = 0.0027174 k( 221) = ( 0.5000000 0.3385974 0.3278261), wk = 0.0027174 k( 222) = ( 0.5000000 0.3527056 0.3278261), wk = 0.0027174 k( 223) = ( 0.5000000 0.3668139 0.3278261), wk = 0.0027174 k( 224) = ( 0.5000000 0.3809221 0.3278261), wk = 0.0027174 k( 225) = ( 0.5000000 0.3950303 0.3278261), wk = 0.0027174 k( 226) = ( 0.5000000 0.4091385 0.3278261), wk = 0.0027174 k( 227) = ( 0.5000000 0.4232468 0.3278261), wk = 0.0027174 k( 228) = ( 0.5000000 0.4373550 0.3278261), wk = 0.0027174 k( 229) = ( 0.5000000 0.4373550 0.3278261), wk = 0.0027174 k( 230) = ( 0.4857143 0.4373550 0.3278261), wk = 0.0027174 k( 231) = ( 0.4714286 0.4373550 0.3278261), wk = 0.0027174 k( 232) = ( 0.4571429 0.4373550 0.3278261), wk = 0.0027174 k( 233) = ( 0.4428571 0.4373550 0.3278261), wk = 0.0027174 k( 234) = ( 0.4285714 0.4373550 0.3278261), wk = 0.0027174 k( 235) = ( 0.4142857 0.4373550 0.3278261), wk = 0.0027174 k( 236) = ( 0.4000000 0.4373550 0.3278261), wk = 0.0027174 k( 237) = ( 0.3857143 0.4373550 0.3278261), wk = 0.0027174 k( 238) = ( 0.3714286 0.4373550 0.3278261), wk = 0.0027174 k( 239) = ( 0.3571429 0.4373550 0.3278261), wk = 0.0027174 k( 240) = ( 0.3428571 0.4373550 0.3278261), wk = 0.0027174 k( 241) = ( 0.3285714 0.4373550 0.3278261), wk = 0.0027174 k( 242) = ( 0.3142857 0.4373550 0.3278261), wk = 0.0027174 k( 243) = ( 0.3000000 0.4373550 0.3278261), wk = 0.0027174 k( 244) = ( 0.2857143 0.4373550 0.3278261), wk = 0.0027174 k( 245) = ( 0.2714286 0.4373550 0.3278261), wk = 0.0027174 k( 246) = ( 0.2571429 0.4373550 0.3278261), wk = 0.0027174 k( 247) = ( 0.2428571 0.4373550 0.3278261), wk = 0.0027174 k( 248) = ( 0.2285714 0.4373550 0.3278261), wk = 0.0027174 k( 249) = ( 0.2142857 0.4373550 0.3278261), wk = 0.0027174 k( 250) = ( 0.2000000 0.4373550 0.3278261), wk = 0.0027174 k( 251) = ( 0.1857143 0.4373550 0.3278261), wk = 0.0027174 k( 252) = ( 0.1714286 0.4373550 0.3278261), wk = 0.0027174 k( 253) = ( 0.1571429 0.4373550 0.3278261), wk = 0.0027174 k( 254) = ( 0.1428571 0.4373550 0.3278261), wk = 0.0027174 k( 255) = ( 0.1285714 0.4373550 0.3278261), wk = 0.0027174 k( 256) = ( 0.1142857 0.4373550 0.3278261), wk = 0.0027174 k( 257) = ( 0.1000000 0.4373550 0.3278261), wk = 0.0027174 k( 258) = ( 0.0857143 0.4373550 0.3278261), wk = 0.0027174 k( 259) = ( 0.0714286 0.4373550 0.3278261), wk = 0.0027174 k( 260) = ( 0.0571429 0.4373550 0.3278261), wk = 0.0027174 k( 261) = ( 0.0428571 0.4373550 0.3278261), wk = 0.0027174 k( 262) = ( 0.0285714 0.4373550 0.3278261), wk = 0.0027174 k( 263) = ( 0.0142857 0.4373550 0.3278261), wk = 0.0027174 k( 264) = ( 0.0000000 0.4373550 0.3278261), wk = 0.0027174 k( 265) = ( 0.0000000 0.4373550 0.3278261), wk = 0.0027174 k( 266) = ( 0.0000000 0.4232468 0.3278261), wk = 0.0027174 k( 267) = ( 0.0000000 0.4091385 0.3278261), wk = 0.0027174 k( 268) = ( 0.0000000 0.3950303 0.3278261), wk = 0.0027174 k( 269) = ( 0.0000000 0.3809221 0.3278261), wk = 0.0027174 k( 270) = ( 0.0000000 0.3668139 0.3278261), wk = 0.0027174 k( 271) = ( 0.0000000 0.3527056 0.3278261), wk = 0.0027174 k( 272) = ( 0.0000000 0.3385974 0.3278261), wk = 0.0027174 k( 273) = ( 0.0000000 0.3244892 0.3278261), wk = 0.0027174 k( 274) = ( 0.0000000 0.3103810 0.3278261), wk = 0.0027174 k( 275) = ( 0.0000000 0.2962727 0.3278261), wk = 0.0027174 k( 276) = ( 0.0000000 0.2821645 0.3278261), wk = 0.0027174 k( 277) = ( 0.0000000 0.2680563 0.3278261), wk = 0.0027174 k( 278) = ( 0.0000000 0.2539481 0.3278261), wk = 0.0027174 k( 279) = ( 0.0000000 0.2398398 0.3278261), wk = 0.0027174 k( 280) = ( 0.0000000 0.2257316 0.3278261), wk = 0.0027174 k( 281) = ( 0.0000000 0.2116234 0.3278261), wk = 0.0027174 k( 282) = ( 0.0000000 0.1975152 0.3278261), wk = 0.0027174 k( 283) = ( 0.0000000 0.1834069 0.3278261), wk = 0.0027174 k( 284) = ( 0.0000000 0.1692987 0.3278261), wk = 0.0027174 k( 285) = ( 0.0000000 0.1551905 0.3278261), wk = 0.0027174 k( 286) = ( 0.0000000 0.1410823 0.3278261), wk = 0.0027174 k( 287) = ( 0.0000000 0.1269740 0.3278261), wk = 0.0027174 k( 288) = ( 0.0000000 0.1128658 0.3278261), wk = 0.0027174 k( 289) = ( 0.0000000 0.0987576 0.3278261), wk = 0.0027174 k( 290) = ( 0.0000000 0.0846493 0.3278261), wk = 0.0027174 k( 291) = ( 0.0000000 0.0705411 0.3278261), wk = 0.0027174 k( 292) = ( 0.0000000 0.0564329 0.3278261), wk = 0.0027174 k( 293) = ( 0.0000000 0.0423247 0.3278261), wk = 0.0027174 k( 294) = ( 0.0000000 0.0282164 0.3278261), wk = 0.0027174 k( 295) = ( 0.0000000 0.0141082 0.3278261), wk = 0.0027174 k( 296) = ( 0.0000000 0.0000000 0.3278261), wk = 0.0027174 k( 297) = ( 0.0000000 0.4373550 -0.0000000), wk = 0.0027174 k( 298) = ( 0.0000000 0.4373550 0.0142533), wk = 0.0027174 k( 299) = ( 0.0000000 0.4373550 0.0285066), wk = 0.0027174 k( 300) = ( 0.0000000 0.4373550 0.0427599), wk = 0.0027174 k( 301) = ( 0.0000000 0.4373550 0.0570132), wk = 0.0027174 k( 302) = ( 0.0000000 0.4373550 0.0712665), wk = 0.0027174 k( 303) = ( 0.0000000 0.4373550 0.0855198), wk = 0.0027174 k( 304) = ( 0.0000000 0.4373550 0.0997732), wk = 0.0027174 k( 305) = ( 0.0000000 0.4373550 0.1140265), wk = 0.0027174 k( 306) = ( 0.0000000 0.4373550 0.1282798), wk = 0.0027174 k( 307) = ( 0.0000000 0.4373550 0.1425331), wk = 0.0027174 k( 308) = ( 0.0000000 0.4373550 0.1567864), wk = 0.0027174 k( 309) = ( 0.0000000 0.4373550 0.1710397), wk = 0.0027174 k( 310) = ( 0.0000000 0.4373550 0.1852930), wk = 0.0027174 k( 311) = ( 0.0000000 0.4373550 0.1995463), wk = 0.0027174 k( 312) = ( 0.0000000 0.4373550 0.2137996), wk = 0.0027174 k( 313) = ( 0.0000000 0.4373550 0.2280529), wk = 0.0027174 k( 314) = ( 0.0000000 0.4373550 0.2423062), wk = 0.0027174 k( 315) = ( 0.0000000 0.4373550 0.2565595), wk = 0.0027174 k( 316) = ( 0.0000000 0.4373550 0.2708129), wk = 0.0027174 k( 317) = ( 0.0000000 0.4373550 0.2850662), wk = 0.0027174 k( 318) = ( 0.0000000 0.4373550 0.2993195), wk = 0.0027174 k( 319) = ( 0.0000000 0.4373550 0.3135728), wk = 0.0027174 k( 320) = ( 0.0000000 0.4373550 0.3278261), wk = 0.0027174 k( 321) = ( 0.5000000 -0.0000000 0.3278261), wk = 0.0027174 k( 322) = ( 0.5000000 -0.0000000 0.3135728), wk = 0.0027174 k( 323) = ( 0.5000000 -0.0000000 0.2993195), wk = 0.0027174 k( 324) = ( 0.5000000 -0.0000000 0.2850662), wk = 0.0027174 k( 325) = ( 0.5000000 -0.0000000 0.2708129), wk = 0.0027174 k( 326) = ( 0.5000000 -0.0000000 0.2565595), wk = 0.0027174 k( 327) = ( 0.5000000 -0.0000000 0.2423062), wk = 0.0027174 k( 328) = ( 0.5000000 -0.0000000 0.2280529), wk = 0.0027174 k( 329) = ( 0.5000000 -0.0000000 0.2137996), wk = 0.0027174 k( 330) = ( 0.5000000 -0.0000000 0.1995463), wk = 0.0027174 k( 331) = ( 0.5000000 -0.0000000 0.1852930), wk = 0.0027174 k( 332) = ( 0.5000000 -0.0000000 0.1710397), wk = 0.0027174 k( 333) = ( 0.5000000 -0.0000000 0.1567864), wk = 0.0027174 k( 334) = ( 0.5000000 -0.0000000 0.1425331), wk = 0.0027174 k( 335) = ( 0.5000000 -0.0000000 0.1282798), wk = 0.0027174 k( 336) = ( 0.5000000 -0.0000000 0.1140265), wk = 0.0027174 k( 337) = ( 0.5000000 -0.0000000 0.0997732), wk = 0.0027174 k( 338) = ( 0.5000000 -0.0000000 0.0855198), wk = 0.0027174 k( 339) = ( 0.5000000 -0.0000000 0.0712665), wk = 0.0027174 k( 340) = ( 0.5000000 -0.0000000 0.0570132), wk = 0.0027174 k( 341) = ( 0.5000000 -0.0000000 0.0427599), wk = 0.0027174 k( 342) = ( 0.5000000 -0.0000000 0.0285066), wk = 0.0027174 k( 343) = ( 0.5000000 -0.0000000 0.0142533), wk = 0.0027174 k( 344) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 345) = ( 0.5000000 0.4373550 -0.0000000), wk = 0.0027174 k( 346) = ( 0.5000000 0.4373550 0.0142533), wk = 0.0027174 k( 347) = ( 0.5000000 0.4373550 0.0285066), wk = 0.0027174 k( 348) = ( 0.5000000 0.4373550 0.0427599), wk = 0.0027174 k( 349) = ( 0.5000000 0.4373550 0.0570132), wk = 0.0027174 k( 350) = ( 0.5000000 0.4373550 0.0712665), wk = 0.0027174 k( 351) = ( 0.5000000 0.4373550 0.0855198), wk = 0.0027174 k( 352) = ( 0.5000000 0.4373550 0.0997732), wk = 0.0027174 k( 353) = ( 0.5000000 0.4373550 0.1140265), wk = 0.0027174 k( 354) = ( 0.5000000 0.4373550 0.1282798), wk = 0.0027174 k( 355) = ( 0.5000000 0.4373550 0.1425331), wk = 0.0027174 k( 356) = ( 0.5000000 0.4373550 0.1567864), wk = 0.0027174 k( 357) = ( 0.5000000 0.4373550 0.1710397), wk = 0.0027174 k( 358) = ( 0.5000000 0.4373550 0.1852930), wk = 0.0027174 k( 359) = ( 0.5000000 0.4373550 0.1995463), wk = 0.0027174 k( 360) = ( 0.5000000 0.4373550 0.2137996), wk = 0.0027174 k( 361) = ( 0.5000000 0.4373550 0.2280529), wk = 0.0027174 k( 362) = ( 0.5000000 0.4373550 0.2423062), wk = 0.0027174 k( 363) = ( 0.5000000 0.4373550 0.2565595), wk = 0.0027174 k( 364) = ( 0.5000000 0.4373550 0.2708129), wk = 0.0027174 k( 365) = ( 0.5000000 0.4373550 0.2850662), wk = 0.0027174 k( 366) = ( 0.5000000 0.4373550 0.2993195), wk = 0.0027174 k( 367) = ( 0.5000000 0.4373550 0.3135728), wk = 0.0027174 k( 368) = ( 0.5000000 0.4373550 0.3278261), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0027174 k( 3) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0027174 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0027174 k( 5) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0027174 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0027174 k( 7) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0027174 k( 8) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027174 k( 9) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0027174 k( 10) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0027174 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0027174 k( 12) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0027174 k( 13) = ( 0.1714286 0.0000000 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0027174 k( 15) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027174 k( 16) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0027174 k( 17) = ( 0.2285714 0.0000000 -0.0000000), wk = 0.0027174 k( 18) = ( 0.2428571 0.0000000 0.0000000), wk = 0.0027174 k( 19) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0027174 k( 20) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0027174 k( 21) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0027174 k( 22) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027174 k( 23) = ( 0.3142857 0.0000000 -0.0000000), wk = 0.0027174 k( 24) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0027174 k( 25) = ( 0.3428571 0.0000000 -0.0000000), wk = 0.0027174 k( 26) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0027174 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0027174 k( 28) = ( 0.3857143 0.0000000 0.0000000), wk = 0.0027174 k( 29) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027174 k( 30) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0027174 k( 31) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0027174 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0027174 k( 33) = ( 0.4571429 0.0000000 -0.0000000), wk = 0.0027174 k( 34) = ( 0.4714286 0.0000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.4857143 0.0000000 0.0000000), wk = 0.0027174 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 38) = ( 0.5000000 0.0161290 0.0000000), wk = 0.0027174 k( 39) = ( 0.5000000 0.0322581 0.0000000), wk = 0.0027174 k( 40) = ( 0.5000000 0.0483871 0.0000000), wk = 0.0027174 k( 41) = ( 0.5000000 0.0645161 0.0000000), wk = 0.0027174 k( 42) = ( 0.5000000 0.0806452 0.0000000), wk = 0.0027174 k( 43) = ( 0.5000000 0.0967742 -0.0000000), wk = 0.0027174 k( 44) = ( 0.5000000 0.1129032 0.0000000), wk = 0.0027174 k( 45) = ( 0.5000000 0.1290323 0.0000000), wk = 0.0027174 k( 46) = ( 0.5000000 0.1451613 0.0000000), wk = 0.0027174 k( 47) = ( 0.5000000 0.1612903 0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.1774193 0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.1935484 0.0000000), wk = 0.0027174 k( 50) = ( 0.5000000 0.2096774 0.0000000), wk = 0.0027174 k( 51) = ( 0.5000000 0.2258064 0.0000000), wk = 0.0027174 k( 52) = ( 0.5000000 0.2419355 0.0000000), wk = 0.0027174 k( 53) = ( 0.5000000 0.2580645 0.0000000), wk = 0.0027174 k( 54) = ( 0.5000000 0.2741935 0.0000000), wk = 0.0027174 k( 55) = ( 0.5000000 0.2903226 0.0000000), wk = 0.0027174 k( 56) = ( 0.5000000 0.3064516 0.0000000), wk = 0.0027174 k( 57) = ( 0.5000000 0.3225806 0.0000000), wk = 0.0027174 k( 58) = ( 0.5000000 0.3387097 0.0000000), wk = 0.0027174 k( 59) = ( 0.5000000 0.3548387 0.0000000), wk = 0.0027174 k( 60) = ( 0.5000000 0.3709677 0.0000000), wk = 0.0027174 k( 61) = ( 0.5000000 0.3870968 -0.0000000), wk = 0.0027174 k( 62) = ( 0.5000000 0.4032258 0.0000000), wk = 0.0027174 k( 63) = ( 0.5000000 0.4193548 0.0000000), wk = 0.0027174 k( 64) = ( 0.5000000 0.4354839 0.0000000), wk = 0.0027174 k( 65) = ( 0.5000000 0.4516129 0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.4677419 0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.4838710 0.0000000), wk = 0.0027174 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 70) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0027174 k( 71) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0027174 k( 72) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0027174 k( 73) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0027174 k( 74) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0027174 k( 75) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0027174 k( 76) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0027174 k( 78) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0027174 k( 79) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0027174 k( 81) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0027174 k( 83) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0027174 k( 84) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027174 k( 85) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0027174 k( 86) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0027174 k( 87) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0027174 k( 90) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0027174 k( 91) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0027174 k( 92) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0027174 k( 93) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0027174 k( 94) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0027174 k( 95) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0027174 k( 96) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0027174 k( 97) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027174 k( 98) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0027174 k( 99) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0027174 k( 100) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0027174 k( 101) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0027174 k( 102) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0027174 k( 103) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0027174 k( 104) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 105) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 106) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0027174 k( 107) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0027174 k( 108) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0027174 k( 109) = ( 0.0000000 0.4354839 -0.0000000), wk = 0.0027174 k( 110) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0027174 k( 111) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0027174 k( 115) = ( 0.0000000 0.3387097 -0.0000000), wk = 0.0027174 k( 116) = ( 0.0000000 0.3225806 -0.0000000), wk = 0.0027174 k( 117) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0027174 k( 118) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0027174 k( 119) = ( 0.0000000 0.2741936 -0.0000000), wk = 0.0027174 k( 120) = ( 0.0000000 0.2580645 -0.0000000), wk = 0.0027174 k( 121) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0027174 k( 123) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0027174 k( 124) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0027174 k( 125) = ( 0.0000000 0.1774193 -0.0000000), wk = 0.0027174 k( 126) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0027174 k( 127) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0027174 k( 128) = ( 0.0000000 0.1290323 -0.0000000), wk = 0.0027174 k( 129) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0000000 0.0967742 -0.0000000), wk = 0.0027174 k( 131) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0027174 k( 132) = ( 0.0000000 0.0645161 -0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0027174 k( 135) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 162) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0027174 k( 163) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0027174 k( 164) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0027174 k( 165) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0027174 k( 166) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0027174 k( 167) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0027174 k( 168) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0027174 k( 169) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0027174 k( 170) = ( 0.1285714 0.0000000 0.5000000), wk = 0.0027174 k( 171) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0027174 k( 172) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0027174 k( 173) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0027174 k( 174) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0027174 k( 175) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0027174 k( 176) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0027174 k( 177) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0027174 k( 178) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0027174 k( 179) = ( 0.2571429 0.0000000 0.5000000), wk = 0.0027174 k( 180) = ( 0.2714286 0.0000000 0.5000000), wk = 0.0027174 k( 181) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0027174 k( 182) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027174 k( 183) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0027174 k( 184) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0027174 k( 185) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0027174 k( 186) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0027174 k( 187) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0027174 k( 188) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0027174 k( 189) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0027174 k( 190) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0027174 k( 191) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0027174 k( 192) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0027174 k( 193) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0027174 k( 194) = ( 0.4714286 0.0000000 0.5000000), wk = 0.0027174 k( 195) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0027174 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 198) = ( 0.5000000 0.0161290 0.5000000), wk = 0.0027174 k( 199) = ( 0.5000000 0.0322581 0.5000000), wk = 0.0027174 k( 200) = ( 0.5000000 0.0483871 0.5000000), wk = 0.0027174 k( 201) = ( 0.5000000 0.0645161 0.5000000), wk = 0.0027174 k( 202) = ( 0.5000000 0.0806452 0.5000000), wk = 0.0027174 k( 203) = ( 0.5000000 0.0967742 0.5000000), wk = 0.0027174 k( 204) = ( 0.5000000 0.1129032 0.5000000), wk = 0.0027174 k( 205) = ( 0.5000000 0.1290323 0.5000000), wk = 0.0027174 k( 206) = ( 0.5000000 0.1451613 0.5000000), wk = 0.0027174 k( 207) = ( 0.5000000 0.1612903 0.5000000), wk = 0.0027174 k( 208) = ( 0.5000000 0.1774193 0.5000000), wk = 0.0027174 k( 209) = ( 0.5000000 0.1935484 0.5000000), wk = 0.0027174 k( 210) = ( 0.5000000 0.2096774 0.5000000), wk = 0.0027174 k( 211) = ( 0.5000000 0.2258064 0.5000000), wk = 0.0027174 k( 212) = ( 0.5000000 0.2419355 0.5000000), wk = 0.0027174 k( 213) = ( 0.5000000 0.2580645 0.5000000), wk = 0.0027174 k( 214) = ( 0.5000000 0.2741935 0.5000000), wk = 0.0027174 k( 215) = ( 0.5000000 0.2903226 0.5000000), wk = 0.0027174 k( 216) = ( 0.5000000 0.3064516 0.5000000), wk = 0.0027174 k( 217) = ( 0.5000000 0.3225806 0.5000000), wk = 0.0027174 k( 218) = ( 0.5000000 0.3387097 0.5000000), wk = 0.0027174 k( 219) = ( 0.5000000 0.3548387 0.5000000), wk = 0.0027174 k( 220) = ( 0.5000000 0.3709677 0.5000000), wk = 0.0027174 k( 221) = ( 0.5000000 0.3870968 0.5000000), wk = 0.0027174 k( 222) = ( 0.5000000 0.4032258 0.5000000), wk = 0.0027174 k( 223) = ( 0.5000000 0.4193548 0.5000000), wk = 0.0027174 k( 224) = ( 0.5000000 0.4354839 0.5000000), wk = 0.0027174 k( 225) = ( 0.5000000 0.4516129 0.5000000), wk = 0.0027174 k( 226) = ( 0.5000000 0.4677419 0.5000000), wk = 0.0027174 k( 227) = ( 0.5000000 0.4838710 0.5000000), wk = 0.0027174 k( 228) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 229) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 230) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0027174 k( 231) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0027174 k( 232) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0027174 k( 233) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0027174 k( 234) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0027174 k( 235) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0027174 k( 236) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027174 k( 237) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0027174 k( 238) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0027174 k( 239) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0027174 k( 240) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0027174 k( 241) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0027174 k( 242) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0027174 k( 243) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027174 k( 244) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0027174 k( 245) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0027174 k( 246) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0027174 k( 247) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0027174 k( 248) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0027174 k( 249) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0027174 k( 250) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027174 k( 251) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0027174 k( 252) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0027174 k( 253) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0027174 k( 254) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0027174 k( 255) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0027174 k( 256) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0027174 k( 257) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027174 k( 258) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0027174 k( 259) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0027174 k( 260) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0027174 k( 261) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0027174 k( 262) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0027174 k( 263) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0027174 k( 264) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 265) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 266) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0027174 k( 267) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0027174 k( 268) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0027174 k( 269) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0027174 k( 270) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0027174 k( 271) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0027174 k( 272) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0027174 k( 273) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0027174 k( 274) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0027174 k( 275) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0027174 k( 276) = ( 0.0000000 0.3225806 0.5000000), wk = 0.0027174 k( 277) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0027174 k( 278) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0027174 k( 279) = ( 0.0000000 0.2741936 0.5000000), wk = 0.0027174 k( 280) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0027174 k( 281) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0027174 k( 282) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0027174 k( 283) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0027174 k( 284) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0027174 k( 285) = ( 0.0000000 0.1774193 0.5000000), wk = 0.0027174 k( 286) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0027174 k( 287) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0027174 k( 288) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0027174 k( 289) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0027174 k( 290) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0027174 k( 291) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0027174 k( 292) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0027174 k( 293) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0027174 k( 294) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0027174 k( 295) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0027174 k( 296) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 297) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 298) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0027174 k( 299) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0027174 k( 300) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0027174 k( 301) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0027174 k( 302) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0027174 k( 303) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0027174 k( 304) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0027174 k( 305) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0027174 k( 306) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0027174 k( 307) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0027174 k( 308) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0027174 k( 309) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0027174 k( 310) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0027174 k( 311) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0027174 k( 312) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 321) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 322) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0027174 k( 323) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0027174 k( 324) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0027174 k( 325) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0027174 k( 326) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0027174 k( 327) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0027174 k( 328) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0027174 k( 329) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0027174 k( 330) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0027174 k( 331) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0027174 k( 332) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0027174 k( 333) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0027174 k( 334) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0027174 k( 335) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0027174 k( 336) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0027174 k( 337) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0027174 k( 338) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0027174 k( 339) = ( 0.5000000 0.0000000 0.1086956), wk = 0.0027174 k( 340) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0027174 k( 341) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0027174 k( 342) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0027174 k( 343) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0027174 k( 344) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 83595 G-vectors FFT dimensions: ( 45, 54, 72) Smooth grid: 45867 G-vectors FFT dimensions: ( 40, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 242, 58) NL pseudopotentials 0.38 Mb ( 121, 204) Each V/rho on FFT grid 0.07 Mb ( 4860) Each G-vector array 0.01 Mb ( 1744) G-vector shells 0.01 Mb ( 885) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 242, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaCl2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.1 secs Computing kpt #: 2 total cpu time spent up to now is 53.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.7 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.7 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.0 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.6 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.8 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.3 secs Computing kpt #: 11 total cpu time spent up to now is 112.3 secs Computing kpt #: 12 total cpu time spent up to now is 119.1 secs Computing kpt #: 13 total cpu time spent up to now is 125.3 secs Computing kpt #: 14 total cpu time spent up to now is 129.9 secs Computing kpt #: 15 total cpu time spent up to now is 135.8 secs Computing kpt #: 16 total cpu time spent up to now is 142.0 secs Computing kpt #: 17 total cpu time spent up to now is 147.7 secs Computing kpt #: 18 total cpu time spent up to now is 152.6 secs Computing kpt #: 19 total cpu time spent up to now is 158.3 secs Computing kpt #: 20 total cpu time spent up to now is 163.3 secs Computing kpt #: 21 total cpu time spent up to now is 168.1 secs Computing kpt #: 22 total cpu time spent up to now is 173.9 secs Computing kpt #: 23 total cpu time spent up to now is 180.6 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.0 secs Computing kpt #: 25 total cpu time spent up to now is 192.1 secs Computing kpt #: 26 total cpu time spent up to now is 197.9 secs Computing kpt #: 27 total cpu time spent up to now is 204.4 secs Computing kpt #: 28 total cpu time spent up to now is 210.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.6 secs Computing kpt #: 30 total cpu time spent up to now is 222.5 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.5 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.7 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.0 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.6 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.4 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.0 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.4 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.4 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.1 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.6 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.1 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.7 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.1 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.6 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.1 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.7 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.4 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.9 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.0 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.3 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.7 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.6 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.0 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.5 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.9 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.2 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.7 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.3 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.5 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.8 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.3 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.9 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.6 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.1 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.7 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.3 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.2 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.0 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 538.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.8 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.5 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 570.9 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.4 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 583.7 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.3 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.9 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.7 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 610.2 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.8 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.4 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.4 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.0 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 650.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.5 secs Computing kpt #: 101 total cpu time spent up to now is 689.4 secs Computing kpt #: 102 total cpu time spent up to now is 695.9 secs Computing kpt #: 103 total cpu time spent up to now is 702.1 secs Computing kpt #: 104 total cpu time spent up to now is 707.5 secs Computing kpt #: 105 total cpu time spent up to now is 712.5 secs Computing kpt #: 106 total cpu time spent up to now is 717.4 secs Computing kpt #: 107 total cpu time spent up to now is 722.9 secs Computing kpt #: 108 total cpu time spent up to now is 727.5 secs Computing kpt #: 109 total cpu time spent up to now is 732.7 secs Computing kpt #: 110 total cpu time spent up to now is 736.9 secs Computing kpt #: 111 total cpu time spent up to now is 741.3 secs Computing kpt #: 112 total cpu time spent up to now is 746.4 secs Computing kpt #: 113 total cpu time spent up to now is 750.3 secs Computing kpt #: 114 total cpu time spent up to now is 754.1 secs Computing kpt #: 115 total cpu time spent up to now is 757.9 secs Computing kpt #: 116 total cpu time spent up to now is 761.9 secs Computing kpt #: 117 total cpu time spent up to now is 766.0 secs Computing kpt #: 118 total cpu time spent up to now is 770.1 secs Computing kpt #: 119 total cpu time spent up to now is 773.6 secs Computing kpt #: 120 total cpu time spent up to now is 777.3 secs Computing kpt #: 121 total cpu time spent up to now is 781.3 secs Computing kpt #: 122 total cpu time spent up to now is 785.1 secs Computing kpt #: 123 total cpu time spent up to now is 789.4 secs Computing kpt #: 124 total cpu time spent up to now is 793.7 secs Computing kpt #: 125 total cpu time spent up to now is 797.8 secs Computing kpt #: 126 total cpu time spent up to now is 803.5 secs Computing kpt #: 127 total cpu time spent up to now is 809.9 secs Computing kpt #: 128 total cpu time spent up to now is 816.4 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 822.8 secs Computing kpt #: 130 total cpu time spent up to now is 828.5 secs Computing kpt #: 131 total cpu time spent up to now is 833.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 840.4 secs Computing kpt #: 133 total cpu time spent up to now is 845.8 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 853.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 860.1 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 866.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 872.5 secs Computing kpt #: 138 total cpu time spent up to now is 878.5 secs Computing kpt #: 139 total cpu time spent up to now is 884.9 secs Computing kpt #: 140 total cpu time spent up to now is 890.4 secs Computing kpt #: 141 total cpu time spent up to now is 895.8 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 902.6 secs Computing kpt #: 143 total cpu time spent up to now is 909.3 secs Computing kpt #: 144 total cpu time spent up to now is 915.6 secs Computing kpt #: 145 total cpu time spent up to now is 921.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 928.7 secs Computing kpt #: 147 total cpu time spent up to now is 934.3 secs Computing kpt #: 148 total cpu time spent up to now is 939.1 secs Computing kpt #: 149 total cpu time spent up to now is 943.3 secs Computing kpt #: 150 total cpu time spent up to now is 948.3 secs Computing kpt #: 151 total cpu time spent up to now is 953.2 secs Computing kpt #: 152 total cpu time spent up to now is 958.2 secs Computing kpt #: 153 total cpu time spent up to now is 962.8 secs Computing kpt #: 154 total cpu time spent up to now is 968.3 secs Computing kpt #: 155 total cpu time spent up to now is 972.9 secs Computing kpt #: 156 total cpu time spent up to now is 978.0 secs Computing kpt #: 157 total cpu time spent up to now is 982.8 secs Computing kpt #: 158 total cpu time spent up to now is 988.1 secs Computing kpt #: 159 total cpu time spent up to now is 993.0 secs Computing kpt #: 160 total cpu time spent up to now is 996.9 secs Computing kpt #: 161 total cpu time spent up to now is 1001.9 secs Computing kpt #: 162 total cpu time spent up to now is 1007.9 secs Computing kpt #: 163 total cpu time spent up to now is 1013.0 secs Computing kpt #: 164 total cpu time spent up to now is 1018.2 secs Computing kpt #: 165 total cpu time spent up to now is 1025.0 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1031.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.4 secs Computing kpt #: 168 total cpu time spent up to now is 1044.2 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1051.3 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.4 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.7 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1071.1 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.0 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.3 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1090.7 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1097.4 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.9 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1110.4 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1117.0 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1124.2 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.9 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1137.6 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.3 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1151.2 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.8 secs Computing kpt #: 186 total cpu time spent up to now is 1164.1 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.6 secs Computing kpt #: 188 total cpu time spent up to now is 1175.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1182.4 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.1 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1196.4 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1203.3 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1209.7 secs Computing kpt #: 194 total cpu time spent up to now is 1215.4 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1222.0 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1228.3 secs Computing kpt #: 197 total cpu time spent up to now is 1233.0 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1241.7 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1248.7 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.1 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1262.3 secs Computing kpt #: 202 total cpu time spent up to now is 1267.8 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1274.5 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.2 secs Computing kpt #: 205 total cpu time spent up to now is 1286.2 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1292.7 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1299.1 secs Computing kpt #: 208 total cpu time spent up to now is 1305.3 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1311.8 secs Computing kpt #: 210 total cpu time spent up to now is 1317.4 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1324.3 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1331.3 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1338.2 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1344.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1351.5 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1358.0 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1364.4 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1371.0 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1377.8 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1384.1 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1390.6 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1397.0 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1403.5 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1409.9 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1416.6 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1423.4 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1429.8 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1436.5 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1442.7 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1449.4 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1455.7 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1462.0 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1468.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1475.1 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1481.7 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1488.3 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1494.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1501.2 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1507.6 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1514.2 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1521.1 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1527.9 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1534.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1541.0 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1547.8 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1554.2 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1560.6 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1566.9 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1573.6 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1580.5 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1586.9 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1593.4 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1600.3 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1607.4 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1613.8 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1620.5 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1627.4 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1634.4 secs Computing kpt #: 259 total cpu time spent up to now is 1640.6 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1647.3 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1654.1 secs Computing kpt #: 262 total cpu time spent up to now is 1660.7 secs Computing kpt #: 263 total cpu time spent up to now is 1666.7 secs Computing kpt #: 264 total cpu time spent up to now is 1672.4 secs Computing kpt #: 265 total cpu time spent up to now is 1677.9 secs Computing kpt #: 266 total cpu time spent up to now is 1683.1 secs Computing kpt #: 267 total cpu time spent up to now is 1688.9 secs Computing kpt #: 268 total cpu time spent up to now is 1693.5 secs Computing kpt #: 269 total cpu time spent up to now is 1698.0 secs Computing kpt #: 270 total cpu time spent up to now is 1702.3 secs Computing kpt #: 271 total cpu time spent up to now is 1706.7 secs Computing kpt #: 272 total cpu time spent up to now is 1711.0 secs Computing kpt #: 273 total cpu time spent up to now is 1715.4 secs Computing kpt #: 274 total cpu time spent up to now is 1719.7 secs Computing kpt #: 275 total cpu time spent up to now is 1723.4 secs Computing kpt #: 276 total cpu time spent up to now is 1727.7 secs Computing kpt #: 277 total cpu time spent up to now is 1731.7 secs Computing kpt #: 278 total cpu time spent up to now is 1735.7 secs Computing kpt #: 279 total cpu time spent up to now is 1739.8 secs Computing kpt #: 280 total cpu time spent up to now is 1743.3 secs Computing kpt #: 281 total cpu time spent up to now is 1747.2 secs Computing kpt #: 282 total cpu time spent up to now is 1750.7 secs Computing kpt #: 283 total cpu time spent up to now is 1755.3 secs Computing kpt #: 284 total cpu time spent up to now is 1759.1 secs Computing kpt #: 285 total cpu time spent up to now is 1763.9 secs Computing kpt #: 286 total cpu time spent up to now is 1768.0 secs Computing kpt #: 287 total cpu time spent up to now is 1772.8 secs Computing kpt #: 288 total cpu time spent up to now is 1777.6 secs Computing kpt #: 289 total cpu time spent up to now is 1781.7 secs Computing kpt #: 290 total cpu time spent up to now is 1786.6 secs Computing kpt #: 291 total cpu time spent up to now is 1791.3 secs Computing kpt #: 292 total cpu time spent up to now is 1795.7 secs Computing kpt #: 293 total cpu time spent up to now is 1800.4 secs Computing kpt #: 294 total cpu time spent up to now is 1805.2 secs Computing kpt #: 295 total cpu time spent up to now is 1809.8 secs Computing kpt #: 296 total cpu time spent up to now is 1814.7 secs Computing kpt #: 297 total cpu time spent up to now is 1820.1 secs Computing kpt #: 298 total cpu time spent up to now is 1826.0 secs Computing kpt #: 299 total cpu time spent up to now is 1832.3 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1839.0 secs Computing kpt #: 301 total cpu time spent up to now is 1845.1 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1852.4 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1859.2 secs Computing kpt #: 304 total cpu time spent up to now is 1865.3 secs Computing kpt #: 305 total cpu time spent up to now is 1870.8 secs Computing kpt #: 306 total cpu time spent up to now is 1876.6 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1883.5 secs Computing kpt #: 308 total cpu time spent up to now is 1888.8 secs Computing kpt #: 309 total cpu time spent up to now is 1894.5 secs Computing kpt #: 310 total cpu time spent up to now is 1901.9 secs Computing kpt #: 311 total cpu time spent up to now is 1908.2 secs Computing kpt #: 312 total cpu time spent up to now is 1914.0 secs Computing kpt #: 313 total cpu time spent up to now is 1919.5 secs Computing kpt #: 314 total cpu time spent up to now is 1925.1 secs Computing kpt #: 315 total cpu time spent up to now is 1931.0 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1938.3 secs Computing kpt #: 317 total cpu time spent up to now is 1943.9 secs Computing kpt #: 318 total cpu time spent up to now is 1949.8 secs Computing kpt #: 319 total cpu time spent up to now is 1955.7 secs Computing kpt #: 320 total cpu time spent up to now is 1960.6 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1966.9 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1973.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1979.8 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1986.1 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1992.4 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1998.8 secs Computing kpt #: 327 total cpu time spent up to now is 2003.3 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2009.8 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2016.7 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2023.1 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2029.5 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2035.7 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2042.4 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2048.9 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2055.4 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2061.8 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2068.4 secs Computing kpt #: 338 total cpu time spent up to now is 2074.7 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2081.1 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2087.8 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2094.5 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2100.9 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2107.2 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2113.5 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2119.8 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2126.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2132.8 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2139.3 secs Computing kpt #: 349 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2145.5 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2151.9 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2158.8 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2165.3 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2171.6 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2178.1 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2184.7 secs Computing kpt #: 356 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2191.2 secs Computing kpt #: 357 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2197.4 secs Computing kpt #: 358 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2203.8 secs Computing kpt #: 359 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2210.4 secs Computing kpt #: 360 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2216.8 secs Computing kpt #: 361 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2223.0 secs Computing kpt #: 362 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2229.5 secs Computing kpt #: 363 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2235.8 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2242.3 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2249.2 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2255.6 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2262.1 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2268.4 secs ethr = 2.08E-11, avg # of iterations =102.6 total cpu time spent up to now is 2268.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -37.4949 -37.4949 -37.4654 -37.4654 -18.8037 -18.8037 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3449 -18.2723 -18.2723 -18.2616 -18.2616 -10.9781 -10.9781 -10.6333 -10.6333 -8.2957 -8.2957 -8.1372 -8.1372 0.0204 0.0204 0.3204 0.3204 0.5842 0.5842 0.6477 0.6477 0.7369 0.7369 0.7675 0.7675 2.9197 2.9197 3.0674 3.0674 3.6653 3.6653 4.0203 4.0203 4.1170 4.1170 4.8375 4.8375 5.0751 5.0751 6.1493 6.1493 6.3758 6.3758 7.2720 7.2720 7.5847 7.5847 k = 0.0143-0.0000-0.0000 ( 5753 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8039 -18.8033 -18.6906 -18.6905 -18.4630 -18.4623 -18.3460 -18.3439 -18.2725 -18.2721 -18.2624 -18.2609 -10.9778 -10.9777 -10.6334 -10.6332 -8.2957 -8.2957 -8.1374 -8.1374 0.0205 0.0213 0.3200 0.3209 0.5829 0.5836 0.6438 0.6513 0.7356 0.7371 0.7649 0.7704 2.9206 2.9208 3.0675 3.0676 3.6642 3.6660 4.0201 4.0221 4.1124 4.1131 4.8405 4.8438 5.0735 5.0763 6.1465 6.1466 6.3769 6.3769 7.2692 7.2705 7.5877 7.5890 k = 0.0286-0.0000-0.0000 ( 5753 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8040 -18.8029 -18.6908 -18.6906 -18.4634 -18.4619 -18.3472 -18.3430 -18.2727 -18.2719 -18.2632 -18.2602 -10.9768 -10.9768 -10.6335 -10.6332 -8.2956 -8.2956 -8.1378 -8.1378 0.0215 0.0231 0.3199 0.3215 0.5798 0.5811 0.6395 0.6543 0.7329 0.7366 0.7628 0.7732 2.9235 2.9239 3.0679 3.0681 3.6627 3.6661 4.0216 4.0255 4.0999 4.1012 4.8520 4.8589 5.0712 5.0772 6.1385 6.1387 6.3803 6.3803 7.2626 7.2649 7.5978 7.6002 k = 0.0429-0.0000-0.0000 ( 5745 PWs) bands (ev): -37.4947 -37.4947 -37.4655 -37.4655 -18.8041 -18.8024 -18.6912 -18.6909 -18.4637 -18.4614 -18.3486 -18.3422 -18.2730 -18.2718 -18.2640 -18.2595 -10.9752 -10.9751 -10.6337 -10.6332 -8.2955 -8.2954 -8.1386 -8.1386 0.0235 0.0258 0.3199 0.3223 0.5749 0.5769 0.6349 0.6570 0.7288 0.7357 0.7615 0.7757 2.9283 2.9289 3.0686 3.0689 3.6608 3.6658 4.0247 4.0304 4.0805 4.0823 4.8708 4.8816 5.0685 5.0782 6.1254 6.1257 6.3859 6.3860 7.2527 7.2559 7.6141 7.6174 k = 0.0571-0.0000-0.0000 ( 5739 PWs) bands (ev): -37.4946 -37.4946 -37.4656 -37.4656 -18.8041 -18.8018 -18.6917 -18.6913 -18.4639 -18.4609 -18.3500 -18.3416 -18.2734 -18.2717 -18.2648 -18.2589 -10.9730 -10.9729 -10.6338 -10.6332 -8.2953 -8.2953 -8.1396 -8.1396 0.0263 0.0295 0.3200 0.3231 0.5683 0.5709 0.6300 0.6591 0.7235 0.7344 0.7606 0.7777 2.9350 2.9357 3.0695 3.0700 3.6587 3.6652 4.0294 4.0366 4.0558 4.0578 4.8944 4.9102 5.0658 5.0801 6.1075 6.1080 6.3937 6.3938 7.2401 7.2439 7.6355 7.6396 k = 0.0714-0.0000-0.0000 ( 5743 PWs) bands (ev): -37.4944 -37.4944 -37.4657 -37.4657 -18.8039 -18.8011 -18.6924 -18.6919 -18.4641 -18.4604 -18.3516 -18.3412 -18.2738 -18.2716 -18.2655 -18.2583 -10.9701 -10.9700 -10.6340 -10.6332 -8.2950 -8.2950 -8.1410 -8.1410 0.0301 0.0341 0.3202 0.3239 0.5601 0.5633 0.6249 0.6608 0.7172 0.7331 0.7599 0.7790 2.9432 2.9442 3.0707 3.0712 3.6565 3.6643 4.0258 4.0282 4.0364 4.0453 4.9201 4.9420 5.0640 5.0845 6.0854 6.0860 6.4035 6.4036 7.2255 7.2297 7.6608 7.6655 k = 0.0857-0.0000-0.0000 ( 5739 PWs) bands (ev): -37.4943 -37.4943 -37.4658 -37.4658 -18.8037 -18.8003 -18.6932 -18.6925 -18.4642 -18.4599 -18.3533 -18.3410 -18.2743 -18.2715 -18.2662 -18.2577 -10.9667 -10.9666 -10.6343 -10.6333 -8.2947 -8.2947 -8.1426 -8.1426 0.0347 0.0396 0.3205 0.3246 0.5506 0.5542 0.6197 0.6620 0.7104 0.7316 0.7593 0.7797 2.9529 2.9541 3.0719 3.0725 3.6542 3.6633 3.9943 3.9971 4.0435 4.0541 4.9440 4.9729 5.0660 5.0936 6.0595 6.0603 6.4154 6.4156 7.2093 7.2137 7.6862 7.6897 k = 0.1000-0.0000-0.0000 ( 5731 PWs) bands (ev): -37.4941 -37.4941 -37.4660 -37.4660 -18.8033 -18.7995 -18.6941 -18.6934 -18.4642 -18.4593 -18.3550 -18.3409 -18.2748 -18.2714 -18.2669 -18.2573 -10.9626 -10.9625 -10.6346 -10.6335 -8.2943 -8.2943 -8.1445 -8.1445 0.0401 0.0460 0.3207 0.3252 0.5397 0.5439 0.6145 0.6626 0.7033 0.7301 0.7586 0.7796 2.9637 2.9651 3.0732 3.0739 3.6521 3.6622 3.9610 3.9639 4.0525 4.0643 4.9619 4.9949 5.0787 5.1105 6.0305 6.0315 6.4292 6.4293 7.1918 7.1963 7.6802 7.6811 k = 0.1143-0.0000-0.0000 ( 5731 PWs) bands (ev): -37.4938 -37.4938 -37.4662 -37.4662 -18.8028 -18.7985 -18.6951 -18.6943 -18.4641 -18.4587 -18.3569 -18.3410 -18.2754 -18.2713 -18.2675 -18.2569 -10.9580 -10.9579 -10.6350 -10.6337 -8.2939 -8.2939 -8.1467 -8.1467 0.0462 0.0532 0.3209 0.3254 0.5278 0.5325 0.6095 0.6626 0.6962 0.7285 0.7577 0.7788 2.9755 2.9771 3.0745 3.0753 3.6503 3.6614 3.9270 3.9299 4.0626 4.0756 4.9716 5.0021 5.1070 5.1363 5.9987 6.0000 6.4447 6.4449 7.1731 7.1776 7.6687 7.6700 k = 0.1286-0.0000-0.0000 ( 5733 PWs) bands (ev): -37.4936 -37.4936 -37.4664 -37.4664 -18.8023 -18.7975 -18.6963 -18.6955 -18.4640 -18.4581 -18.3589 -18.3414 -18.2761 -18.2713 -18.2680 -18.2565 -10.9528 -10.9527 -10.6354 -10.6340 -8.2935 -8.2934 -8.1492 -8.1492 0.0531 0.0612 0.3209 0.3253 0.5150 0.5203 0.6047 0.6617 0.6894 0.7270 0.7564 0.7772 2.9879 2.9897 3.0757 3.0766 3.6489 3.6607 3.8930 3.8959 4.0739 4.0878 4.9739 4.9993 5.1451 5.1696 5.9649 5.9664 6.4617 6.4619 7.1535 7.1579 7.6571 7.6586 k = 0.1429-0.0000-0.0000 ( 5735 PWs) bands (ev): -37.4933 -37.4933 -37.4667 -37.4667 -18.8016 -18.7965 -18.6976 -18.6967 -18.4637 -18.4575 -18.3609 -18.3420 -18.2767 -18.2712 -18.2685 -18.2562 -10.9471 -10.9469 -10.6360 -10.6344 -8.2929 -8.2929 -8.1519 -8.1519 0.0606 0.0700 0.3206 0.3247 0.5015 0.5075 0.6004 0.6598 0.6835 0.7254 0.7548 0.7749 3.0007 3.0027 3.0768 3.0778 3.6479 3.6604 3.8597 3.8625 4.0863 4.1010 4.9708 4.9917 5.1873 5.2074 5.9294 5.9312 6.4801 6.4804 7.1330 7.1372 7.6458 7.6474 k = 0.1571-0.0000-0.0000 ( 5747 PWs) bands (ev): -37.4929 -37.4929 -37.4669 -37.4669 -18.8009 -18.7953 -18.6990 -18.6981 -18.4634 -18.4569 -18.3631 -18.3429 -18.2774 -18.2711 -18.2689 -18.2559 -10.9408 -10.9407 -10.6366 -10.6350 -8.2923 -8.2923 -8.1548 -8.1548 0.0686 0.0795 0.3201 0.3235 0.4874 0.4942 0.5966 0.6566 0.6787 0.7238 0.7528 0.7719 3.0135 3.0157 3.0778 3.0789 3.6475 3.6605 3.8276 3.8303 4.0995 4.1149 4.9641 4.9815 5.2307 5.2475 5.8930 5.8951 6.4995 6.4999 7.1117 7.1158 7.6353 7.6371 k = 0.1714-0.0000-0.0000 ( 5731 PWs) bands (ev): -37.4926 -37.4926 -37.4672 -37.4672 -18.8000 -18.7941 -18.7004 -18.6995 -18.4630 -18.4563 -18.3653 -18.3439 -18.2779 -18.2709 -18.2693 -18.2557 -10.9341 -10.9340 -10.6374 -10.6356 -8.2917 -8.2917 -8.1580 -8.1579 0.0772 0.0896 0.3191 0.3216 0.4731 0.4808 0.5934 0.6523 0.6750 0.7222 0.7504 0.7681 3.0261 3.0284 3.0786 3.0799 3.6476 3.6611 3.7969 3.7995 4.1136 4.1295 4.9550 4.9697 5.2739 5.2883 5.8559 5.8583 6.5198 6.5202 7.0899 7.0938 7.6262 7.6281 k = 0.1857-0.0000-0.0000 ( 5735 PWs) bands (ev): -37.4922 -37.4922 -37.4676 -37.4676 -18.7991 -18.7928 -18.7021 -18.7011 -18.4624 -18.4556 -18.3676 -18.3453 -18.2785 -18.2708 -18.2696 -18.2555 -10.9270 -10.9268 -10.6383 -10.6364 -8.2910 -8.2909 -8.1613 -8.1613 0.0861 0.1003 0.3176 0.3190 0.4587 0.4674 0.5910 0.6473 0.6721 0.7205 0.7477 0.7635 3.0380 3.0404 3.0794 3.0809 3.6483 3.6621 3.7681 3.7706 4.1284 4.1448 4.9439 4.9566 5.3161 5.3286 5.8188 5.8215 6.5404 6.5409 7.0675 7.0713 7.6189 7.6210 k = 0.2000-0.0000-0.0000 ( 5741 PWs) bands (ev): -37.4918 -37.4918 -37.4679 -37.4679 -18.7980 -18.7915 -18.7038 -18.7028 -18.4618 -18.4549 -18.3700 -18.3469 -18.2790 -18.2706 -18.2699 -18.2554 -10.9194 -10.9193 -10.6394 -10.6374 -8.2902 -8.2902 -8.1649 -8.1648 0.0953 0.1114 0.3155 0.3156 0.4444 0.4544 0.5894 0.6421 0.6696 0.7187 0.7445 0.7583 3.0489 3.0511 3.0806 3.0824 3.6494 3.6633 3.7413 3.7437 4.1440 4.1607 4.9314 4.9425 5.3567 5.3677 5.7819 5.7850 6.5611 6.5617 7.0449 7.0486 7.6140 7.6162 k = 0.2143-0.0000-0.0000 ( 5731 PWs) bands (ev): -37.4913 -37.4913 -37.4683 -37.4683 -18.7968 -18.7900 -18.7055 -18.7046 -18.4609 -18.4541 -18.3724 -18.3487 -18.2794 -18.2704 -18.2702 -18.2554 -10.9114 -10.9113 -10.6406 -10.6386 -8.2893 -8.2893 -8.1686 -8.1686 0.1046 0.1230 0.3114 0.3129 0.4304 0.4419 0.5887 0.6370 0.6672 0.7168 0.7410 0.7525 3.0578 3.0597 3.0826 3.0852 3.6507 3.6647 3.7168 3.7192 4.1602 4.1771 4.9177 4.9274 5.3952 5.4050 5.7458 5.7491 6.5815 6.5821 7.0222 7.0257 7.6119 7.6143 k = 0.2286-0.0000-0.0000 ( 5738 PWs) bands (ev): -37.4909 -37.4909 -37.4687 -37.4687 -18.7956 -18.7886 -18.7074 -18.7065 -18.4600 -18.4533 -18.3749 -18.3508 -18.2797 -18.2705 -18.2702 -18.2553 -10.9030 -10.9030 -10.6421 -10.6400 -8.2884 -8.2884 -8.1724 -8.1724 0.1139 0.1348 0.3065 0.3096 0.4170 0.4303 0.5888 0.6322 0.6647 0.7148 0.7373 0.7460 3.0639 3.0652 3.0866 3.0900 3.6518 3.6653 3.6952 3.6979 4.1769 4.1939 4.9030 4.9116 5.4311 5.4399 5.7107 5.7144 6.6011 6.6018 6.9995 7.0029 7.6130 7.6156 k = 0.2429-0.0000-0.0000 ( 5744 PWs) bands (ev): -37.4904 -37.4904 -37.4691 -37.4691 -18.7942 -18.7871 -18.7094 -18.7086 -18.4590 -18.4524 -18.3775 -18.3532 -18.2799 -18.2708 -18.2699 -18.2554 -10.8944 -10.8944 -10.6438 -10.6416 -8.2874 -8.2874 -8.1765 -8.1764 0.1230 0.1468 0.3009 0.3058 0.4043 0.4197 0.5896 0.6278 0.6621 0.7126 0.7332 0.7389 3.0669 3.0678 3.0926 3.0966 3.6510 3.6620 3.6778 3.6829 4.1942 4.2112 4.8875 4.8951 5.4642 5.4721 5.6770 5.6810 6.6197 6.6204 6.9771 6.9804 7.6177 7.6205 k = 0.2571-0.0000-0.0000 ( 5748 PWs) bands (ev): -37.4899 -37.4899 -37.4695 -37.4695 -18.7928 -18.7855 -18.7114 -18.7107 -18.4578 -18.4515 -18.3801 -18.3558 -18.2801 -18.2710 -18.2696 -18.2554 -10.8855 -10.8854 -10.6457 -10.6434 -8.2863 -8.2863 -8.1806 -8.1805 0.1317 0.1587 0.2947 0.3013 0.3926 0.4105 0.5911 0.6237 0.6593 0.7102 0.7290 0.7314 3.0680 3.0688 3.0995 3.1038 3.6443 3.6502 3.6686 3.6785 4.2120 4.2289 4.8712 4.8780 5.4941 5.5013 5.6452 5.6494 6.6369 6.6376 6.9551 6.9582 7.6263 7.6293 k = 0.2714-0.0000-0.0000 ( 5756 PWs) bands (ev): -37.4894 -37.4894 -37.4700 -37.4700 -18.7912 -18.7839 -18.7136 -18.7129 -18.4564 -18.4506 -18.3828 -18.3585 -18.2801 -18.2713 -18.2693 -18.2555 -10.8763 -10.8762 -10.6478 -10.6456 -8.2852 -8.2851 -8.1848 -8.1848 0.1398 0.1704 0.2880 0.2964 0.3822 0.4029 0.5932 0.6198 0.6565 0.7074 0.7236 0.7246 3.0682 3.0691 3.1063 3.1109 3.6320 3.6357 3.6670 3.6788 4.2302 4.2469 4.8542 4.8603 5.5206 5.5271 5.6155 5.6199 6.6524 6.6531 6.9337 6.9367 7.6389 7.6421 k = 0.2857-0.0000-0.0000 ( 5756 PWs) bands (ev): -37.4889 -37.4889 -37.4705 -37.4705 -18.7896 -18.7822 -18.7157 -18.7152 -18.4549 -18.4496 -18.3855 -18.3615 -18.2801 -18.2715 -18.2690 -18.2556 -10.8670 -10.8668 -10.6503 -10.6480 -8.2839 -8.2838 -8.1891 -8.1890 0.1472 0.1816 0.2808 0.2911 0.3732 0.3972 0.5957 0.6159 0.6538 0.7039 0.7160 0.7201 3.0683 3.0693 3.1126 3.1173 3.6192 3.6221 3.6676 3.6798 4.2487 4.2652 4.8367 4.8422 5.5433 5.5493 5.5884 5.5929 6.6661 6.6668 6.9130 6.9159 7.6556 7.6589 k = 0.3000-0.0000-0.0000 ( 5760 PWs) bands (ev): -37.4883 -37.4883 -37.4709 -37.4709 -18.7878 -18.7804 -18.7179 -18.7176 -18.4533 -18.4485 -18.3882 -18.3646 -18.2801 -18.2718 -18.2686 -18.2558 -10.8575 -10.8572 -10.6530 -10.6507 -8.2826 -8.2825 -8.1935 -8.1934 0.1537 0.1920 0.2734 0.2856 0.3660 0.3936 0.5985 0.6117 0.6512 0.6985 0.7096 0.7155 3.0685 3.0695 3.1181 3.1230 3.6076 3.6102 3.6684 3.6806 4.2676 4.2837 4.8187 4.8237 5.5576 5.5640 5.5685 5.5722 6.6780 6.6786 6.8932 6.8960 7.6761 7.6797 k = 0.3143-0.0000-0.0000 ( 5760 PWs) bands (ev): -37.4877 -37.4877 -37.4715 -37.4715 -18.7859 -18.7786 -18.7202 -18.7201 -18.4514 -18.4473 -18.3909 -18.3679 -18.2799 -18.2721 -18.2682 -18.2560 -10.8478 -10.8475 -10.6560 -10.6537 -8.2811 -8.2810 -8.1978 -8.1978 0.1592 0.2011 0.2657 0.2798 0.3610 0.3922 0.6015 0.6070 0.6491 0.6910 0.7050 0.7110 3.0689 3.0701 3.1228 3.1278 3.5976 3.6000 3.6688 3.6807 4.2867 4.3024 4.8003 4.8048 5.5401 5.5455 5.5797 5.5839 6.6881 6.6886 6.8744 6.8772 7.7004 7.7040 k = 0.3286-0.0000-0.0000 ( 5768 PWs) bands (ev): -37.4872 -37.4872 -37.4720 -37.4720 -18.7840 -18.7768 -18.7226 -18.7225 -18.4495 -18.4461 -18.3937 -18.3713 -18.2797 -18.2723 -18.2678 -18.2563 -10.8381 -10.8377 -10.6594 -10.6571 -8.2795 -8.2794 -8.2023 -8.2022 0.1636 0.2087 0.2578 0.2741 0.3584 0.3931 0.6015 0.6044 0.6475 0.6821 0.7014 0.7065 3.0698 3.0712 3.1267 3.1317 3.5893 3.5917 3.6685 3.6800 4.3061 4.3212 4.7815 4.7857 5.5215 5.5269 5.5912 5.5950 6.6965 6.6968 6.8566 6.8593 7.7279 7.7317 k = 0.3429-0.0000-0.0000 ( 5760 PWs) bands (ev): -37.4865 -37.4865 -37.4725 -37.4725 -18.7820 -18.7749 -18.7252 -18.7249 -18.4474 -18.4448 -18.3965 -18.3748 -18.2795 -18.2726 -18.2673 -18.2565 -10.8283 -10.8278 -10.6631 -10.6608 -8.2779 -8.2777 -8.2067 -8.2066 0.1669 0.2145 0.2500 0.2684 0.3587 0.3962 0.5951 0.6069 0.6465 0.6728 0.6982 0.7021 3.0713 3.0728 3.1297 3.1348 3.5827 3.5850 3.6672 3.6783 4.3256 4.3402 4.7624 4.7664 5.5058 5.5112 5.5993 5.6027 6.7034 6.7035 6.8400 6.8427 7.7584 7.7622 k = 0.3571-0.0000-0.0000 ( 5758 PWs) bands (ev): -37.4859 -37.4859 -37.4731 -37.4731 -18.7799 -18.7730 -18.7278 -18.7272 -18.4451 -18.4435 -18.3992 -18.3783 -18.2792 -18.2728 -18.2668 -18.2568 -10.8185 -10.8180 -10.6672 -10.6649 -8.2761 -8.2759 -8.2110 -8.2109 0.1694 0.2183 0.2423 0.2629 0.3617 0.4014 0.5877 0.6085 0.6461 0.6638 0.6951 0.6978 3.0733 3.0750 3.1319 3.1371 3.5776 3.5801 3.6649 3.6755 4.3453 4.3592 4.7431 4.7469 5.4933 5.4986 5.6039 5.6070 6.7089 6.7089 6.8246 6.8272 7.7913 7.7952 k = 0.3714-0.0000-0.0000 ( 5762 PWs) bands (ev): -37.4853 -37.4853 -37.4737 -37.4737 -18.7777 -18.7710 -18.7305 -18.7296 -18.4427 -18.4420 -18.4020 -18.3820 -18.2789 -18.2731 -18.2663 -18.2572 -10.8088 -10.8081 -10.6716 -10.6694 -8.2741 -8.2740 -8.2154 -8.2153 0.1712 0.2204 0.2347 0.2575 0.3675 0.4084 0.5794 0.6085 0.6464 0.6560 0.6921 0.6936 3.0759 3.0779 3.1334 3.1386 3.5741 3.5766 3.6616 3.6716 4.3651 4.3782 4.7237 4.7273 5.4840 5.4892 5.6052 5.6079 6.7131 6.7134 6.8105 6.8130 7.8262 7.8301 k = 0.3857-0.0000-0.0000 ( 5764 PWs) bands (ev): -37.4847 -37.4847 -37.4743 -37.4743 -18.7755 -18.7690 -18.7332 -18.7321 -18.4405 -18.4402 -18.4047 -18.3857 -18.2786 -18.2733 -18.2658 -18.2575 -10.7991 -10.7983 -10.6764 -10.6742 -8.2721 -8.2719 -8.2197 -8.2196 0.1724 0.2212 0.2274 0.2524 0.3756 0.4170 0.5703 0.6059 0.6471 0.6504 0.6890 0.6896 3.0791 3.0813 3.1340 3.1392 3.5721 3.5748 3.6571 3.6666 4.3850 4.3973 4.7040 4.7076 5.4780 5.4831 5.6035 5.6059 6.7165 6.7170 6.7976 6.8001 7.8627 7.8666 k = 0.4000-0.0000-0.0000 ( 5752 PWs) bands (ev): -37.4840 -37.4840 -37.4749 -37.4749 -18.7732 -18.7669 -18.7359 -18.7345 -18.4388 -18.4375 -18.4074 -18.3895 -18.2783 -18.2736 -18.2652 -18.2579 -10.7895 -10.7887 -10.6815 -10.6794 -8.2699 -8.2697 -8.2239 -8.2238 0.1734 0.2205 0.2211 0.2474 0.3855 0.4269 0.5603 0.5999 0.6478 0.6482 0.6857 0.6859 3.0828 3.0853 3.1339 3.1392 3.5715 3.5743 3.6517 3.6607 4.4049 4.4164 4.6843 4.6879 5.4751 5.4800 5.5990 5.6012 6.7193 6.7200 6.7860 6.7885 7.9002 7.9042 k = 0.4143-0.0000-0.0000 ( 5764 PWs) bands (ev): -37.4834 -37.4834 -37.4755 -37.4755 -18.7708 -18.7648 -18.7387 -18.7369 -18.4371 -18.4347 -18.4101 -18.3932 -18.2779 -18.2739 -18.2647 -18.2583 -10.7801 -10.7791 -10.6870 -10.6850 -8.2675 -8.2674 -8.2280 -8.2279 0.1742 0.2139 0.2206 0.2427 0.3967 0.4379 0.5497 0.5910 0.6476 0.6496 0.6820 0.6827 3.0870 3.0897 3.1331 3.1383 3.5722 3.5753 3.6455 3.6539 4.4249 4.4356 4.6644 4.6681 5.4752 5.4798 5.5921 5.5942 6.7216 6.7225 6.7757 6.7781 7.9384 7.9424 k = 0.4286-0.0000-0.0000 ( 5772 PWs) bands (ev): -37.4827 -37.4827 -37.4761 -37.4761 -18.7683 -18.7626 -18.7415 -18.7394 -18.4353 -18.4318 -18.4127 -18.3970 -18.2776 -18.2742 -18.2641 -18.2588 -10.7708 -10.7697 -10.6930 -10.6909 -8.2651 -8.2649 -8.2321 -8.2319 0.1752 0.2078 0.2200 0.2383 0.4089 0.4497 0.5384 0.5803 0.6491 0.6513 0.6784 0.6796 3.0915 3.0946 3.1317 3.1368 3.5742 3.5775 3.6385 3.6463 4.4449 4.4547 4.6445 4.6484 5.4781 5.4823 5.5832 5.5852 6.7237 6.7248 6.7665 6.7689 7.9629 7.9646 k = 0.4429-0.0000-0.0000 ( 5768 PWs) bands (ev): -37.4820 -37.4820 -37.4768 -37.4768 -18.7658 -18.7604 -18.7442 -18.7418 -18.4334 -18.4287 -18.4153 -18.4008 -18.2772 -18.2745 -18.2636 -18.2592 -10.7617 -10.7605 -10.6992 -10.6973 -8.2624 -8.2623 -8.2360 -8.2358 0.1763 0.2022 0.2197 0.2342 0.4217 0.4622 0.5266 0.5683 0.6514 0.6532 0.6750 0.6764 3.0963 3.0996 3.1295 3.1346 3.5774 3.5811 3.6310 3.6383 4.4649 4.4738 4.6246 4.6288 5.4835 5.4874 5.5726 5.5746 6.7258 6.7271 6.7586 6.7609 7.9643 7.9654 k = 0.4571-0.0000-0.0000 ( 5760 PWs) bands (ev): -37.4814 -37.4814 -37.4774 -37.4774 -18.7632 -18.7582 -18.7470 -18.7442 -18.4314 -18.4255 -18.4178 -18.4045 -18.2769 -18.2748 -18.2630 -18.2597 -10.7529 -10.7516 -10.7059 -10.7040 -8.2596 -8.2595 -8.2398 -8.2396 0.1779 0.1971 0.2197 0.2306 0.4350 0.4752 0.5143 0.5556 0.6541 0.6554 0.6717 0.6732 3.1012 3.1048 3.1268 3.1317 3.5817 3.5857 3.6232 3.6299 4.4848 4.4930 4.6047 4.6092 5.4910 5.4946 5.5609 5.5630 6.7280 6.7294 6.7517 6.7539 7.9670 7.9675 k = 0.4714-0.0000-0.0000 ( 5764 PWs) bands (ev): -37.4807 -37.4807 -37.4781 -37.4781 -18.7606 -18.7560 -18.7498 -18.7466 -18.4294 -18.4222 -18.4202 -18.4081 -18.2765 -18.2751 -18.2624 -18.2602 -10.7443 -10.7429 -10.7129 -10.7111 -8.2567 -8.2565 -8.2435 -8.2433 0.1798 0.1925 0.2202 0.2274 0.4484 0.4885 0.5016 0.5425 0.6572 0.6577 0.6686 0.6700 3.1061 3.1100 3.1235 3.1283 3.5870 3.5914 3.6153 3.6215 4.5048 4.5122 4.5847 4.5896 5.5004 5.5037 5.5485 5.5507 6.7304 6.7320 6.7458 6.7479 7.9711 7.9712 k = 0.4857-0.0000-0.0000 ( 5764 PWs) bands (ev): -37.4800 -37.4800 -37.4787 -37.4787 -18.7580 -18.7537 -18.7525 -18.7490 -18.4272 -18.4226 -18.4188 -18.4118 -18.2762 -18.2755 -18.2618 -18.2608 -10.7359 -10.7345 -10.7202 -10.7186 -8.2536 -8.2535 -8.2470 -8.2468 0.1822 0.1885 0.2212 0.2248 0.4619 0.4886 0.5020 0.5291 0.6602 0.6603 0.6656 0.6667 3.1109 3.1151 3.1197 3.1243 3.5932 3.5980 3.6075 3.6132 4.5248 4.5315 4.5647 4.5702 5.5113 5.5143 5.5358 5.5382 6.7333 6.7351 6.7409 6.7429 7.9763 7.9770 k = 0.5000-0.0000-0.0000 ( 5750 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4249 -18.4249 -18.4153 -18.4153 -18.2758 -18.2758 -18.2613 -18.2613 -10.7279 -10.7279 -10.7264 -10.7264 -8.2504 -8.2504 -8.2502 -8.2502 0.1851 0.1851 0.2227 0.2227 0.4753 0.4753 0.5155 0.5155 0.6628 0.6628 0.6635 0.6635 3.1155 3.1155 3.1199 3.1199 3.6000 3.6000 3.6053 3.6053 4.5448 4.5448 4.5508 4.5508 5.5232 5.5232 5.5259 5.5259 6.7368 6.7368 6.7387 6.7387 7.9831 7.9831 k = 0.5000-0.0000-0.0000 ( 5750 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4249 -18.4249 -18.4153 -18.4153 -18.2758 -18.2758 -18.2613 -18.2613 -10.7279 -10.7279 -10.7264 -10.7264 -8.2504 -8.2504 -8.2502 -8.2502 0.1851 0.1851 0.2227 0.2227 0.4753 0.4753 0.5155 0.5155 0.6628 0.6628 0.6635 0.6635 3.1155 3.1155 3.1199 3.1199 3.6000 3.6000 3.6053 3.6053 4.5448 4.5448 4.5508 4.5508 5.5232 5.5232 5.5259 5.5259 6.7368 6.7368 6.7387 6.7387 7.9831 7.9836 k = 0.5000 0.0141-0.0000 ( 5758 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7557 -18.7548 -18.7515 -18.7512 -18.4271 -18.4227 -18.4157 -18.4150 -18.2763 -18.2752 -18.2631 -18.2595 -10.7278 -10.7277 -10.7262 -10.7261 -8.2508 -8.2508 -8.2507 -8.2507 0.1845 0.1861 0.2219 0.2239 0.4624 0.4828 0.5073 0.5158 0.6563 0.6623 0.6744 0.6766 3.1136 3.1179 3.1182 3.1221 3.5979 3.5990 3.6033 3.6041 4.5440 4.5478 4.5499 4.5539 5.5243 5.5243 5.5267 5.5272 6.7363 6.7366 6.7382 6.7384 7.9821 7.9823 k = 0.5000 0.0282-0.0000 ( 5766 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7563 -18.7545 -18.7518 -18.7512 -18.4291 -18.4204 -18.4160 -18.4146 -18.2767 -18.2746 -18.2649 -18.2578 -10.7271 -10.7269 -10.7256 -10.7254 -8.2522 -8.2522 -8.2521 -8.2520 0.1843 0.1876 0.2216 0.2255 0.4462 0.4833 0.4939 0.5079 0.6586 0.6711 0.6924 0.6955 3.1123 3.1170 3.1209 3.1249 3.5925 3.5947 3.5980 3.5996 4.5454 4.5511 4.5530 4.5591 5.5274 5.5275 5.5296 5.5307 6.7352 6.7357 6.7372 6.7374 7.9791 7.9799 k = 0.5000 0.0423-0.0000 ( 5758 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7570 -18.7543 -18.7522 -18.7513 -18.4310 -18.4180 -18.4162 -18.4141 -18.2771 -18.2739 -18.2667 -18.2561 -10.7261 -10.7258 -10.7245 -10.7242 -8.2545 -8.2545 -8.2544 -8.2543 0.1845 0.1895 0.2216 0.2275 0.4285 0.4774 0.4778 0.4944 0.6691 0.6873 0.7147 0.7178 3.1115 3.1164 3.1245 3.1283 3.5843 3.5874 3.5898 3.5920 4.5489 4.5544 4.5601 4.5661 5.5327 5.5329 5.5346 5.5363 6.7335 6.7343 6.7355 6.7358 7.9743 7.9746 k = 0.5000 0.0564-0.0000 ( 5762 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7577 -18.7542 -18.7527 -18.7516 -18.4328 -18.4164 -18.4155 -18.4136 -18.2775 -18.2732 -18.2685 -18.2544 -10.7246 -10.7241 -10.7230 -10.7226 -8.2577 -8.2577 -8.2576 -8.2574 0.1852 0.1918 0.2220 0.2298 0.4103 0.4610 0.4670 0.4781 0.6858 0.7080 0.7395 0.7421 3.1115 3.1166 3.1288 3.1323 3.5735 3.5773 3.5790 3.5815 4.5541 4.5593 4.5688 4.5746 5.5401 5.5403 5.5417 5.5439 6.7311 6.7322 6.7331 6.7336 7.9676 7.9680 k = 0.5000 0.0705-0.0000 ( 5782 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7585 -18.7542 -18.7533 -18.7519 -18.4344 -18.4167 -18.4130 -18.4130 -18.2779 -18.2724 -18.2704 -18.2528 -10.7227 -10.7221 -10.7212 -10.7206 -8.2617 -8.2617 -8.2616 -8.2615 0.1862 0.1946 0.2228 0.2324 0.3926 0.4443 0.4543 0.4608 0.7063 0.7312 0.7655 0.7676 3.1122 3.1175 3.1338 3.1371 3.5605 3.5648 3.5659 3.5685 4.5607 4.5656 4.5786 4.5843 5.5495 5.5498 5.5509 5.5535 6.7281 6.7295 6.7302 6.7308 7.9592 7.9593 k = 0.5000 0.0846-0.0000 ( 5778 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7593 -18.7543 -18.7539 -18.7524 -18.4359 -18.4169 -18.4123 -18.4104 -18.2781 -18.2722 -18.2715 -18.2513 -10.7204 -10.7197 -10.7189 -10.7182 -8.2666 -8.2665 -8.2665 -8.2663 0.1876 0.1977 0.2239 0.2352 0.3758 0.4284 0.4407 0.4435 0.7292 0.7557 0.7922 0.7936 3.1138 3.1193 3.1397 3.1428 3.5458 3.5502 3.5511 3.5535 4.5682 4.5728 4.5890 4.5945 5.5609 5.5613 5.5620 5.5652 6.7246 6.7263 6.7267 6.7274 7.9493 7.9504 k = 0.5000 0.0988-0.0000 ( 5760 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7602 -18.7546 -18.7545 -18.7529 -18.4372 -18.4171 -18.4115 -18.4077 -18.2784 -18.2739 -18.2705 -18.2497 -10.7177 -10.7169 -10.7162 -10.7154 -8.2722 -8.2721 -8.2721 -8.2719 0.1893 0.2011 0.2252 0.2380 0.3604 0.4136 0.4270 0.4274 0.7531 0.7807 0.8188 0.8197 3.1166 3.1222 3.1467 3.1494 3.5297 3.5341 3.5349 3.5368 4.5761 4.5803 4.5997 4.6048 5.5743 5.5747 5.5751 5.5788 6.7205 6.7226 6.7227 6.7235 7.9380 7.9386 k = 0.5000 0.1129-0.0000 ( 5756 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7611 -18.7554 -18.7547 -18.7535 -18.4383 -18.4174 -18.4107 -18.4051 -18.2786 -18.2757 -18.2695 -18.2483 -10.7146 -10.7137 -10.7131 -10.7123 -8.2785 -8.2784 -8.2784 -8.2782 0.1913 0.2049 0.2267 0.2407 0.3467 0.4002 0.4115 0.4148 0.7773 0.8056 0.8449 0.8454 3.1205 3.1262 3.1548 3.1572 3.5129 3.5169 3.5179 3.5191 4.5840 4.5877 4.6100 4.6148 5.5895 5.5900 5.5901 5.5942 6.7159 6.7181 6.7184 6.7191 7.9256 7.9262 k = 0.5000 0.1270-0.0000 ( 5756 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7621 -18.7562 -18.7551 -18.7542 -18.4394 -18.4176 -18.4098 -18.4025 -18.2789 -18.2774 -18.2684 -18.2469 -10.7112 -10.7102 -10.7098 -10.7088 -8.2854 -8.2854 -8.2853 -8.2851 0.1936 0.2089 0.2285 0.2428 0.3352 0.3882 0.3973 0.4034 0.8013 0.8299 0.8702 0.8703 3.1257 3.1317 3.1641 3.1662 3.4956 3.4992 3.5006 3.5007 4.5912 4.5946 4.6195 4.6239 5.6066 5.6067 5.6072 5.6114 6.7109 6.7131 6.7138 6.7143 7.9122 7.9124 k = 0.5000 0.1411-0.0000 ( 5760 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7631 -18.7571 -18.7555 -18.7550 -18.4403 -18.4179 -18.4088 -18.3999 -18.2792 -18.2791 -18.2673 -18.2456 -10.7075 -10.7064 -10.7061 -10.7051 -8.2930 -8.2929 -8.2929 -8.2927 0.1961 0.2130 0.2303 0.2442 0.3262 0.3777 0.3846 0.3933 0.8245 0.8534 0.8940 0.8943 3.1324 3.1385 3.1748 3.1765 3.4786 3.4814 3.4823 3.4834 4.5975 4.6004 4.6277 4.6317 5.6251 5.6253 5.6260 5.6303 6.7054 6.7077 6.7087 6.7090 7.8982 7.8988 k = 0.5000 0.1552-0.0000 ( 5756 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7641 -18.7579 -18.7560 -18.7558 -18.4410 -18.4182 -18.4078 -18.3974 -18.2807 -18.2794 -18.2661 -18.2444 -10.7036 -10.7024 -10.7022 -10.7010 -8.3010 -8.3010 -8.3009 -8.3007 0.1989 0.2173 0.2322 0.2445 0.3201 0.3687 0.3735 0.3847 0.8466 0.8757 0.9163 0.9168 3.1406 3.1467 3.1867 3.1879 3.4622 3.4642 3.4644 3.4668 4.6022 4.6047 4.6343 4.6378 5.6450 5.6457 5.6465 5.6507 6.6995 6.7019 6.7033 6.7034 7.8832 7.8837 k = 0.5000 0.1693-0.0000 ( 5748 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7650 -18.7588 -18.7567 -18.7566 -18.4416 -18.4186 -18.4066 -18.3949 -18.2823 -18.2796 -18.2648 -18.2432 -10.6994 -10.6981 -10.6980 -10.6968 -8.3095 -8.3095 -8.3094 -8.3092 0.2021 0.2216 0.2343 0.2435 0.3170 0.3613 0.3641 0.3775 0.8672 0.8964 0.9368 0.9376 3.1501 3.1564 3.1997 3.2004 3.4471 3.4477 3.4483 3.4515 4.6051 4.6073 4.6388 4.6419 5.6665 5.6676 5.6685 5.6727 6.6932 6.6958 6.6974 6.6976 7.8683 7.8688 k = 0.5000 0.1834-0.0000 ( 5744 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7660 -18.7598 -18.7577 -18.7573 -18.4420 -18.4190 -18.4054 -18.3925 -18.2838 -18.2799 -18.2634 -18.2421 -10.6950 -10.6937 -10.6936 -10.6924 -8.3183 -8.3183 -8.3182 -8.3180 0.2055 0.2259 0.2364 0.2415 0.3166 0.3552 0.3563 0.3719 0.8863 0.9154 0.9554 0.9563 3.1608 3.1670 3.2132 3.2133 3.4331 3.4339 3.4346 3.4380 4.6059 4.6076 4.6410 4.6435 5.6893 5.6909 5.6919 5.6959 6.6865 6.6894 6.6911 6.6915 7.8527 7.8544 k = 0.5000 0.1975-0.0000 ( 5738 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7670 -18.7607 -18.7587 -18.7580 -18.4423 -18.4194 -18.4042 -18.3902 -18.2852 -18.2802 -18.2621 -18.2411 -10.6905 -10.6892 -10.6890 -10.6878 -8.3274 -8.3274 -8.3273 -8.3271 0.2092 0.2300 0.2386 0.2388 0.3184 0.3502 0.3505 0.3676 0.9035 0.9326 0.9718 0.9728 3.1721 3.1782 3.2258 3.2263 3.4221 3.4237 3.4243 3.4274 4.6041 4.6055 4.6406 4.6424 5.7134 5.7154 5.7165 5.7204 6.6795 6.6826 6.6845 6.6851 7.8374 7.8381 k = 0.5000 0.2116-0.0000 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7679 -18.7616 -18.7598 -18.7587 -18.4425 -18.4199 -18.4028 -18.3881 -18.2864 -18.2805 -18.2606 -18.2402 -10.6858 -10.6846 -10.6843 -10.6831 -8.3366 -8.3366 -8.3365 -8.3363 0.2132 0.2339 0.2360 0.2410 0.3218 0.3457 0.3470 0.3645 0.9187 0.9477 0.9860 0.9870 3.1833 3.1890 3.2364 3.2375 3.4162 3.4174 3.4193 3.4205 4.5996 4.6007 4.6372 4.6385 5.7387 5.7411 5.7423 5.7460 6.6721 6.6755 6.6776 6.6783 7.8220 7.8232 k = 0.5000 0.2257-0.0000 ( 5720 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7688 -18.7625 -18.7609 -18.7595 -18.4425 -18.4204 -18.4015 -18.3860 -18.2876 -18.2808 -18.2592 -18.2394 -10.6811 -10.6800 -10.6795 -10.6784 -8.3460 -8.3459 -8.3458 -8.3456 0.2177 0.2335 0.2376 0.2437 0.3264 0.3429 0.3445 0.3625 0.9320 0.9607 0.9978 0.9988 3.1932 3.1983 3.2434 3.2450 3.4165 3.4177 3.4188 3.4212 4.5922 4.5930 4.6308 4.6314 5.7648 5.7678 5.7690 5.7725 6.6644 6.6681 6.6703 6.6713 7.8072 7.8082 k = 0.5000 0.2398-0.0000 ( 5720 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7697 -18.7633 -18.7620 -18.7603 -18.4424 -18.4210 -18.4000 -18.3842 -18.2887 -18.2812 -18.2577 -18.2387 -10.6764 -10.6754 -10.6747 -10.6737 -8.3552 -8.3552 -8.3550 -8.3549 0.2225 0.2314 0.2409 0.2466 0.3317 0.3416 0.3429 0.3614 0.9433 0.9717 1.0073 1.0082 3.2006 3.2050 3.2457 3.2474 3.4223 3.4234 3.4279 3.4316 4.5817 4.5824 4.6212 4.6213 5.7918 5.7952 5.7965 5.7998 6.6563 6.6603 6.6628 6.6639 7.7921 7.7944 k = 0.5000 0.2539-0.0000 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7705 -18.7642 -18.7631 -18.7611 -18.4423 -18.4216 -18.3986 -18.3825 -18.2896 -18.2816 -18.2563 -18.2381 -10.6718 -10.6708 -10.6700 -10.6690 -8.3644 -8.3643 -8.3642 -8.3641 0.2277 0.2301 0.2439 0.2498 0.3374 0.3417 0.3420 0.3609 0.9526 0.9806 1.0145 1.0152 3.2047 3.2081 3.2433 3.2449 3.4353 3.4355 3.4467 3.4502 4.5681 4.5687 4.6077 4.6085 5.8194 5.8232 5.8246 5.8276 6.6478 6.6523 6.6549 6.6561 7.7780 7.7795 k = 0.5000 0.2681-0.0000 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7713 -18.7650 -18.7642 -18.7620 -18.4420 -18.4223 -18.3971 -18.3811 -18.2905 -18.2820 -18.2548 -18.2376 -10.6672 -10.6662 -10.6653 -10.6644 -8.3733 -8.3733 -8.3731 -8.3730 0.2294 0.2334 0.2466 0.2533 0.3417 0.3430 0.3433 0.3610 0.9601 0.9875 1.0195 1.0200 3.2055 3.2078 3.2375 3.2386 3.4545 3.4560 3.4729 3.4759 4.5514 4.5519 4.5909 4.5924 5.8474 5.8517 5.8530 5.8558 6.6390 6.6438 6.6466 6.6479 7.7640 7.7658 k = 0.5000 0.2822-0.0000 ( 5740 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7720 -18.7658 -18.7653 -18.7628 -18.4416 -18.4231 -18.3956 -18.3798 -18.2911 -18.2825 -18.2533 -18.2372 -10.6628 -10.6619 -10.6608 -10.6600 -8.3820 -8.3819 -8.3818 -8.3817 0.2294 0.2395 0.2489 0.2571 0.3418 0.3453 0.3492 0.3612 0.9659 0.9927 1.0226 1.0227 3.2033 3.2048 3.2295 3.2302 3.4803 3.4829 3.5046 3.5070 4.5316 4.5322 4.5709 4.5732 5.8757 5.8802 5.8816 5.8841 6.6298 6.6350 6.6380 6.6394 7.7510 7.7526 k = 0.5000 0.2963-0.0000 ( 5744 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7726 -18.7664 -18.7664 -18.7636 -18.4411 -18.4238 -18.3940 -18.3788 -18.2917 -18.2831 -18.2519 -18.2370 -10.6585 -10.6577 -10.6565 -10.6557 -8.3902 -8.3901 -8.3900 -8.3899 0.2301 0.2458 0.2510 0.2613 0.3422 0.3485 0.3551 0.3616 0.9703 0.9963 1.0235 1.0239 3.1991 3.2000 3.2205 3.2208 3.5115 3.5151 3.5406 3.5423 4.5089 4.5097 4.5479 4.5509 5.9038 5.9087 5.9100 5.9123 6.6203 6.6258 6.6292 6.6306 7.7388 7.7395 k = 0.5000 0.3104-0.0000 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7731 -18.7674 -18.7670 -18.7644 -18.4405 -18.4246 -18.3924 -18.3779 -18.2920 -18.2836 -18.2505 -18.2368 -10.6545 -10.6537 -10.6524 -10.6517 -8.3979 -8.3979 -8.3978 -8.3977 0.2314 0.2525 0.2528 0.2657 0.3427 0.3522 0.3607 0.3619 0.9734 0.9985 1.0228 1.0237 3.1938 3.1941 3.2112 3.2113 3.5469 3.5515 3.5796 3.5806 4.4834 4.4845 4.5219 4.5257 5.9316 5.9367 5.9380 5.9400 6.6106 6.6163 6.6200 6.6214 7.7271 7.7281 k = 0.5000 0.3245-0.0000 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7736 -18.7684 -18.7676 -18.7651 -18.4399 -18.4255 -18.3909 -18.3773 -18.2922 -18.2842 -18.2491 -18.2367 -10.6507 -10.6501 -10.6486 -10.6480 -8.4051 -8.4050 -8.4049 -8.4049 0.2332 0.2542 0.2593 0.2703 0.3433 0.3564 0.3621 0.3659 0.9756 0.9996 1.0207 1.0222 3.1879 3.1880 3.2019 3.2022 3.5855 3.5909 3.6208 3.6209 4.4556 4.4571 4.4933 4.4979 5.9586 5.9639 5.9651 5.9669 6.6007 6.6066 6.6107 6.6121 7.7164 7.7175 k = 0.5000 0.3386-0.0000 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7693 -18.7681 -18.7658 -18.4392 -18.4263 -18.3893 -18.3769 -18.2923 -18.2848 -18.2477 -18.2367 -10.6473 -10.6467 -10.6451 -10.6446 -8.4116 -8.4115 -8.4115 -8.4114 0.2354 0.2553 0.2661 0.2750 0.3439 0.3607 0.3619 0.3706 0.9772 0.9999 1.0176 1.0198 3.1817 3.1821 3.1931 3.1937 3.6262 3.6324 3.6623 3.6631 4.4259 4.4280 4.4625 4.4680 5.9845 5.9899 5.9909 5.9925 6.5908 6.5967 6.6013 6.6026 7.7064 7.7074 k = 0.5000 0.3527-0.0000 ( 5724 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7742 -18.7702 -18.7684 -18.7665 -18.4384 -18.4272 -18.3878 -18.3768 -18.2922 -18.2854 -18.2464 -18.2369 -10.6443 -10.6437 -10.6420 -10.6415 -8.4174 -8.4174 -8.4173 -8.4172 0.2379 0.2562 0.2728 0.2796 0.3445 0.3613 0.3651 0.3747 0.9783 0.9996 1.0137 1.0168 3.1760 3.1766 3.1852 3.1860 3.6679 3.6749 3.7038 3.7056 4.3949 4.3978 4.4301 4.4364 6.0089 6.0142 6.0150 6.0165 6.5811 6.5869 6.5920 6.5932 7.6979 7.6988 k = 0.5000 0.3668-0.0000 ( 5726 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7744 -18.7710 -18.7687 -18.7671 -18.4376 -18.4282 -18.3863 -18.3769 -18.2920 -18.2861 -18.2452 -18.2372 -10.6416 -10.6412 -10.6393 -10.6389 -8.4224 -8.4224 -8.4223 -8.4223 0.2405 0.2566 0.2792 0.2840 0.3451 0.3603 0.3694 0.3782 0.9792 0.9991 1.0093 1.0135 3.1709 3.1717 3.1782 3.1791 3.7095 3.7173 3.7440 3.7470 4.3636 4.3675 4.3967 4.4040 6.0311 6.0363 6.0368 6.0382 6.5720 6.5774 6.5831 6.5843 7.6902 7.6911 k = 0.5000 0.3809-0.0000 ( 5726 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7745 -18.7717 -18.7690 -18.7676 -18.4367 -18.4291 -18.3849 -18.3771 -18.2917 -18.2868 -18.2440 -18.2375 -10.6394 -10.6390 -10.6371 -10.6367 -8.4266 -8.4266 -8.4265 -8.4265 0.2432 0.2566 0.2849 0.2881 0.3457 0.3589 0.3733 0.3810 0.9802 0.9985 1.0047 1.0101 3.1667 3.1676 3.1723 3.1733 3.7496 3.7582 3.7814 3.7858 4.3335 4.3386 4.3635 4.3717 6.0507 6.0556 6.0557 6.0572 6.5638 6.5685 6.5751 6.5760 7.6834 7.6859 k = 0.5000 0.3950-0.0000 ( 5714 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7744 -18.7724 -18.7691 -18.7680 -18.4358 -18.4300 -18.3835 -18.3776 -18.2913 -18.2875 -18.2429 -18.2380 -10.6376 -10.6373 -10.6353 -10.6350 -8.4299 -8.4299 -8.4299 -8.4298 0.2459 0.2563 0.2897 0.2916 0.3464 0.3571 0.3768 0.3829 0.9815 0.9981 1.0001 1.0068 3.1635 3.1645 3.1675 3.1686 3.7865 3.7959 3.8137 3.8198 4.3064 4.3130 4.3320 4.3411 6.0671 6.0711 6.0716 6.0728 6.5569 6.5608 6.5682 6.5689 7.6789 7.6793 k = 0.5000 0.4091-0.0000 ( 5716 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7743 -18.7729 -18.7691 -18.7684 -18.4349 -18.4310 -18.3822 -18.3782 -18.2908 -18.2882 -18.2418 -18.2386 -10.6363 -10.6361 -10.6340 -10.6338 -8.4323 -8.4323 -8.4322 -8.4322 0.2484 0.2555 0.2934 0.2943 0.3475 0.3550 0.3798 0.3840 0.9833 0.9958 0.9981 1.0039 3.1612 3.1623 3.1639 3.1651 3.8179 3.8281 3.8383 3.8462 4.2851 4.2933 4.3043 4.3143 6.0796 6.0824 6.0835 6.0844 6.5518 6.5546 6.5629 6.5634 7.6751 7.6759 k = 0.5000 0.4232-0.0000 ( 5710 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7741 -18.7734 -18.7691 -18.7687 -18.4339 -18.4320 -18.3810 -18.3790 -18.2902 -18.2889 -18.2409 -18.2392 -10.6355 -10.6354 -10.6331 -10.6331 -8.4337 -8.4337 -8.4337 -8.4337 0.2506 0.2542 0.2958 0.2961 0.3489 0.3529 0.3820 0.3842 0.9855 0.9918 0.9986 1.0015 3.1601 3.1613 3.1615 3.1626 3.8411 3.8517 3.8522 3.8616 4.2728 4.2825 4.2833 4.2938 6.0877 6.0891 6.0911 6.0915 6.5489 6.5503 6.5596 6.5599 7.6728 7.6734 k = 0.5000 0.4374-0.0000 ( 5708 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4342 -8.4342 -8.4342 -8.4342 0.2526 0.2526 0.2966 0.2966 0.3508 0.3508 0.3835 0.3835 0.9884 0.9884 0.9998 0.9998 3.1602 3.1602 3.1614 3.1614 3.8532 3.8532 3.8636 3.8636 4.2721 4.2721 4.2826 4.2826 6.0909 6.0909 6.0938 6.0938 6.5484 6.5484 6.5586 6.5586 7.6722 7.6728 k = 0.5000 0.4374-0.0000 ( 5708 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4342 -8.4342 -8.4342 -8.4342 0.2526 0.2526 0.2966 0.2966 0.3508 0.3508 0.3835 0.3835 0.9884 0.9884 0.9998 0.9998 3.1602 3.1602 3.1614 3.1614 3.8532 3.8532 3.8636 3.8636 4.2721 4.2721 4.2826 4.2826 6.0909 6.0909 6.0938 6.0938 6.5484 6.5484 6.5586 6.5586 7.6721 7.6728 k = 0.4857 0.4374-0.0000 ( 5718 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6354 -10.6354 -10.6330 -10.6330 -8.4341 -8.4341 -8.4341 -8.4341 0.2528 0.2528 0.2970 0.2970 0.3508 0.3508 0.3837 0.3837 0.9884 0.9884 0.9998 0.9998 3.1606 3.1606 3.1618 3.1618 3.8531 3.8531 3.8634 3.8635 4.2719 4.2719 4.2823 4.2824 6.0906 6.0906 6.0935 6.0935 6.5483 6.5483 6.5584 6.5584 7.6733 7.6739 k = 0.4714 0.4374-0.0000 ( 5726 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7737 -18.7737 -18.7688 -18.7688 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2401 -18.2401 -10.6359 -10.6359 -10.6335 -10.6335 -8.4339 -8.4339 -8.4339 -8.4338 0.2534 0.2534 0.2982 0.2982 0.3509 0.3509 0.3843 0.3843 0.9883 0.9883 1.0000 1.0000 3.1618 3.1618 3.1630 3.1630 3.8526 3.8526 3.8630 3.8630 4.2711 4.2711 4.2817 4.2817 6.0897 6.0897 6.0927 6.0927 6.5480 6.5480 6.5581 6.5581 7.6752 7.6762 k = 0.4571 0.4374-0.0000 ( 5724 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7735 -18.7734 -18.7685 -18.7685 -18.4328 -18.4328 -18.3800 -18.3800 -18.2897 -18.2897 -18.2402 -18.2402 -10.6368 -10.6368 -10.6344 -10.6344 -8.4335 -8.4335 -8.4335 -8.4335 0.2543 0.2543 0.3000 0.3000 0.3511 0.3511 0.3854 0.3854 0.9882 0.9882 1.0002 1.0002 3.1638 3.1638 3.1650 3.1650 3.8517 3.8517 3.8623 3.8623 4.2699 4.2699 4.2806 4.2806 6.0883 6.0883 6.0914 6.0914 6.5475 6.5475 6.5576 6.5576 7.6792 7.6795 k = 0.4429 0.4374-0.0000 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7732 -18.7731 -18.7681 -18.7681 -18.4327 -18.4327 -18.3800 -18.3800 -18.2898 -18.2897 -18.2404 -18.2404 -10.6380 -10.6380 -10.6356 -10.6356 -8.4330 -8.4330 -8.4330 -8.4330 0.2555 0.2555 0.3025 0.3025 0.3514 0.3514 0.3868 0.3868 0.9881 0.9882 1.0006 1.0006 3.1666 3.1666 3.1679 3.1679 3.8505 3.8505 3.8613 3.8613 4.2681 4.2681 4.2791 4.2791 6.0863 6.0863 6.0897 6.0897 6.5469 6.5469 6.5569 6.5569 7.6843 7.6856 k = 0.4286 0.4374-0.0000 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7728 -18.7728 -18.7676 -18.7676 -18.4326 -18.4326 -18.3799 -18.3799 -18.2898 -18.2898 -18.2406 -18.2406 -10.6396 -10.6395 -10.6371 -10.6371 -8.4324 -8.4323 -8.4323 -8.4323 0.2571 0.2571 0.3055 0.3056 0.3520 0.3520 0.3888 0.3888 0.9881 0.9881 1.0011 1.0011 3.1702 3.1703 3.1716 3.1716 3.8489 3.8489 3.8599 3.8599 4.2658 4.2659 4.2771 4.2771 6.0839 6.0839 6.0875 6.0876 6.5462 6.5462 6.5562 6.5562 7.6919 7.6922 k = 0.4143 0.4374-0.0000 ( 5728 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7723 -18.7723 -18.7671 -18.7671 -18.4324 -18.4324 -18.3799 -18.3799 -18.2899 -18.2899 -18.2408 -18.2408 -10.6414 -10.6414 -10.6390 -10.6390 -8.4316 -8.4316 -8.4315 -8.4315 0.2588 0.2588 0.3089 0.3089 0.3529 0.3529 0.3912 0.3912 0.9880 0.9881 1.0017 1.0018 3.1748 3.1748 3.1763 3.1763 3.8468 3.8468 3.8580 3.8580 4.2630 4.2630 4.2746 4.2746 6.0811 6.0811 6.0850 6.0850 6.5456 6.5456 6.5554 6.5554 7.6992 7.7005 k = 0.4000 0.4374-0.0000 ( 5728 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7717 -18.7717 -18.7664 -18.7664 -18.4322 -18.4322 -18.3799 -18.3799 -18.2900 -18.2900 -18.2411 -18.2411 -10.6436 -10.6436 -10.6411 -10.6411 -8.4307 -8.4306 -8.4306 -8.4306 0.2607 0.2607 0.3121 0.3121 0.3546 0.3546 0.3942 0.3942 0.9881 0.9881 1.0025 1.0025 3.1803 3.1803 3.1819 3.1819 3.8442 3.8442 3.8557 3.8557 4.2596 4.2596 4.2716 4.2716 6.0779 6.0779 6.0822 6.0822 6.5449 6.5449 6.5547 6.5548 7.7079 7.7090 k = 0.3857 0.4374-0.0000 ( 5720 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7711 -18.7711 -18.7657 -18.7657 -18.4319 -18.4319 -18.3799 -18.3799 -18.2901 -18.2901 -18.2414 -18.2414 -10.6461 -10.6460 -10.6436 -10.6435 -8.4297 -8.4296 -8.4296 -8.4296 0.2626 0.2626 0.3149 0.3149 0.3574 0.3574 0.3979 0.3979 0.9882 0.9882 1.0034 1.0035 3.1867 3.1868 3.1885 3.1886 3.8409 3.8410 3.8529 3.8529 4.2556 4.2557 4.2680 4.2680 6.0745 6.0745 6.0791 6.0791 6.5445 6.5445 6.5542 6.5542 7.7180 7.7195 k = 0.3714 0.4374-0.0000 ( 5716 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7704 -18.7704 -18.7649 -18.7648 -18.4316 -18.4316 -18.3799 -18.3799 -18.2902 -18.2902 -18.2418 -18.2418 -10.6488 -10.6487 -10.6462 -10.6462 -8.4285 -8.4285 -8.4285 -8.4284 0.2643 0.2643 0.3167 0.3167 0.3617 0.3617 0.4023 0.4023 0.9884 0.9884 1.0045 1.0045 3.1942 3.1942 3.1962 3.1963 3.8371 3.8371 3.8494 3.8494 4.2510 4.2511 4.2638 4.2638 6.0709 6.0709 6.0758 6.0759 6.5443 6.5443 6.5540 6.5540 7.7281 7.7293 k = 0.3571 0.4374-0.0000 ( 5720 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7696 -18.7696 -18.7640 -18.7640 -18.4313 -18.4313 -18.3799 -18.3799 -18.2903 -18.2903 -18.2422 -18.2422 -10.6517 -10.6517 -10.6492 -10.6491 -8.4273 -8.4273 -8.4272 -8.4272 0.2659 0.2659 0.3172 0.3172 0.3678 0.3678 0.4076 0.4077 0.9886 0.9887 1.0056 1.0057 3.2027 3.2028 3.2050 3.2051 3.8325 3.8325 3.8453 3.8453 4.2458 4.2458 4.2590 4.2590 6.0672 6.0672 6.0725 6.0725 6.5444 6.5445 6.5541 6.5541 7.7362 7.7380 k = 0.3429 0.4374-0.0000 ( 5730 PWs) bands (ev): -37.4795 -37.4795 -37.4794 -37.4794 -18.7688 -18.7688 -18.7631 -18.7631 -18.4309 -18.4309 -18.3800 -18.3800 -18.2903 -18.2903 -18.2428 -18.2427 -10.6549 -10.6548 -10.6523 -10.6523 -8.4260 -8.4260 -8.4259 -8.4259 0.2670 0.2670 0.3164 0.3165 0.3757 0.3757 0.4139 0.4140 0.9890 0.9891 1.0069 1.0070 3.2123 3.2124 3.2150 3.2151 3.8271 3.8271 3.8405 3.8405 4.2399 4.2399 4.2535 4.2535 6.0635 6.0635 6.0691 6.0691 6.5450 6.5451 6.5546 6.5546 7.7435 7.7445 k = 0.3286 0.4374-0.0000 ( 5738 PWs) bands (ev): -37.4795 -37.4795 -37.4795 -37.4795 -18.7679 -18.7679 -18.7621 -18.7621 -18.4305 -18.4305 -18.3801 -18.3801 -18.2904 -18.2904 -18.2433 -18.2433 -10.6582 -10.6582 -10.6556 -10.6556 -8.4246 -8.4246 -8.4245 -8.4245 0.2676 0.2676 0.3144 0.3145 0.3853 0.3853 0.4214 0.4214 0.9895 0.9895 1.0083 1.0083 3.2231 3.2232 3.2262 3.2262 3.8210 3.8210 3.8349 3.8349 4.2333 4.2333 4.2473 4.2473 6.0599 6.0599 6.0658 6.0658 6.5462 6.5462 6.5558 6.5558 7.7479 7.7506 k = 0.3143 0.4374-0.0000 ( 5742 PWs) bands (ev): -37.4795 -37.4795 -37.4795 -37.4795 -18.7670 -18.7669 -18.7611 -18.7611 -18.4300 -18.4299 -18.3802 -18.3802 -18.2904 -18.2903 -18.2439 -18.2439 -10.6617 -10.6616 -10.6591 -10.6591 -8.4232 -8.4232 -8.4231 -8.4231 0.2675 0.2676 0.3114 0.3115 0.3963 0.3963 0.4300 0.4300 0.9900 0.9900 1.0097 1.0097 3.2350 3.2351 3.2386 3.2387 3.8140 3.8140 3.8285 3.8286 4.2259 4.2260 4.2403 4.2403 6.0563 6.0563 6.0626 6.0626 6.5481 6.5481 6.5576 6.5576 7.7483 7.7499 k = 0.3000 0.4374-0.0000 ( 5750 PWs) bands (ev): -37.4796 -37.4796 -37.4796 -37.4796 -18.7660 -18.7660 -18.7601 -18.7601 -18.4294 -18.4294 -18.3804 -18.3804 -18.2903 -18.2903 -18.2446 -18.2446 -10.6653 -10.6653 -10.6627 -10.6627 -8.4217 -8.4217 -8.4216 -8.4216 0.2668 0.2668 0.3076 0.3076 0.4085 0.4086 0.4399 0.4399 0.9904 0.9905 1.0111 1.0111 3.2481 3.2482 3.2523 3.2523 3.8061 3.8061 3.8214 3.8214 4.2178 4.2178 4.2325 4.2326 6.0529 6.0529 6.0595 6.0595 6.5508 6.5508 6.5602 6.5602 7.7445 7.7456 k = 0.2857 0.4374-0.0000 ( 5744 PWs) bands (ev): -37.4796 -37.4796 -37.4796 -37.4796 -18.7649 -18.7649 -18.7591 -18.7591 -18.4287 -18.4287 -18.3806 -18.3806 -18.2902 -18.2902 -18.2453 -18.2453 -10.6690 -10.6690 -10.6665 -10.6664 -8.4202 -8.4202 -8.4201 -8.4201 0.2654 0.2654 0.3030 0.3030 0.4219 0.4219 0.4511 0.4511 0.9909 0.9909 1.0124 1.0124 3.2624 3.2625 3.2672 3.2673 3.7974 3.7974 3.8135 3.8135 4.2089 4.2089 4.2240 4.2240 6.0496 6.0496 6.0565 6.0565 6.5544 6.5544 6.5638 6.5638 7.7351 7.7362 k = 0.2714 0.4374-0.0000 ( 5740 PWs) bands (ev): -37.4796 -37.4796 -37.4796 -37.4796 -18.7639 -18.7639 -18.7580 -18.7580 -18.4280 -18.4280 -18.3809 -18.3809 -18.2900 -18.2900 -18.2461 -18.2461 -10.6728 -10.6727 -10.6703 -10.6702 -8.4187 -8.4187 -8.4186 -8.4185 0.2632 0.2632 0.2978 0.2978 0.4363 0.4363 0.4636 0.4636 0.9912 0.9913 1.0136 1.0136 3.2779 3.2780 3.2835 3.2836 3.7878 3.7879 3.8049 3.8049 4.1992 4.1992 4.2146 4.2146 6.0465 6.0465 6.0536 6.0536 6.5591 6.5591 6.5684 6.5684 7.7221 7.7233 k = 0.2571 0.4374-0.0000 ( 5742 PWs) bands (ev): -37.4797 -37.4797 -37.4796 -37.4796 -18.7628 -18.7628 -18.7570 -18.7570 -18.4272 -18.4272 -18.3813 -18.3813 -18.2898 -18.2898 -18.2470 -18.2470 -10.6766 -10.6765 -10.6741 -10.6741 -8.4172 -8.4171 -8.4170 -8.4170 0.2604 0.2604 0.2921 0.2921 0.4516 0.4516 0.4773 0.4773 0.9914 0.9915 1.0145 1.0145 3.2945 3.2946 3.3010 3.3011 3.7775 3.7775 3.7956 3.7956 4.1886 4.1887 4.2043 4.2043 6.0435 6.0435 6.0508 6.0508 6.5650 6.5650 6.5742 6.5742 7.7050 7.7072 k = 0.2429 0.4374-0.0000 ( 5742 PWs) bands (ev): -37.4797 -37.4797 -37.4797 -37.4797 -18.7617 -18.7617 -18.7560 -18.7559 -18.4263 -18.4263 -18.3818 -18.3817 -18.2894 -18.2894 -18.2479 -18.2479 -10.6804 -10.6803 -10.6780 -10.6779 -8.4156 -8.4156 -8.4155 -8.4155 0.2570 0.2570 0.2860 0.2860 0.4677 0.4677 0.4921 0.4921 0.9914 0.9914 1.0151 1.0152 3.3123 3.3123 3.3198 3.3198 3.7664 3.7664 3.7856 3.7857 4.1772 4.1773 4.1932 4.1932 6.0405 6.0405 6.0481 6.0481 6.5722 6.5722 6.5813 6.5813 7.6852 7.6870 k = 0.2286 0.4374-0.0000 ( 5738 PWs) bands (ev): -37.4797 -37.4797 -37.4797 -37.4797 -18.7606 -18.7605 -18.7549 -18.7549 -18.4254 -18.4254 -18.3823 -18.3823 -18.2890 -18.2890 -18.2489 -18.2489 -10.6841 -10.6841 -10.6818 -10.6817 -8.4141 -8.4141 -8.4140 -8.4140 0.2531 0.2531 0.2795 0.2795 0.4845 0.4845 0.5079 0.5080 0.9910 0.9910 1.0154 1.0154 3.3310 3.3311 3.3397 3.3398 3.7547 3.7547 3.7752 3.7752 4.1650 4.1651 4.1811 4.1812 6.0375 6.0375 6.0452 6.0452 6.5809 6.5809 6.5899 6.5899 7.6634 7.6654 k = 0.2143 0.4374-0.0000 ( 5732 PWs) bands (ev): -37.4798 -37.4798 -37.4797 -37.4797 -18.7594 -18.7594 -18.7540 -18.7539 -18.4244 -18.4244 -18.3829 -18.3829 -18.2885 -18.2885 -18.2500 -18.2499 -10.6878 -10.6878 -10.6856 -10.6855 -8.4127 -8.4126 -8.4125 -8.4125 0.2488 0.2488 0.2729 0.2729 0.5019 0.5020 0.5246 0.5247 0.9903 0.9903 1.0152 1.0152 3.3507 3.3508 3.3609 3.3609 3.7424 3.7424 3.7645 3.7645 4.1520 4.1520 4.1683 4.1683 6.0344 6.0344 6.0423 6.0423 6.5913 6.5913 6.6000 6.6000 7.6389 7.6410 k = 0.2000 0.4374-0.0000 ( 5716 PWs) bands (ev): -37.4798 -37.4798 -37.4798 -37.4798 -18.7583 -18.7583 -18.7530 -18.7530 -18.4232 -18.4232 -18.3836 -18.3836 -18.2880 -18.2879 -18.2511 -18.2510 -10.6915 -10.6914 -10.6893 -10.6892 -8.4112 -8.4112 -8.4111 -8.4111 0.2442 0.2442 0.2661 0.2661 0.5199 0.5199 0.5421 0.5421 0.9891 0.9891 1.0145 1.0145 3.3713 3.3713 3.3830 3.3831 3.7297 3.7297 3.7536 3.7536 4.1381 4.1382 4.1545 4.1546 6.0312 6.0312 6.0391 6.0391 6.6033 6.6033 6.6117 6.6118 7.6127 7.6146 k = 0.1857 0.4374-0.0000 ( 5716 PWs) bands (ev): -37.4798 -37.4798 -37.4798 -37.4798 -18.7572 -18.7572 -18.7521 -18.7521 -18.4221 -18.4221 -18.3844 -18.3844 -18.2873 -18.2873 -18.2522 -18.2522 -10.6950 -10.6949 -10.6929 -10.6928 -8.4099 -8.4098 -8.4097 -8.4097 0.2394 0.2394 0.2592 0.2592 0.5383 0.5383 0.5601 0.5601 0.9875 0.9875 1.0131 1.0132 3.3924 3.3925 3.4062 3.4062 3.7167 3.7167 3.7427 3.7427 4.1235 4.1235 4.1400 4.1400 6.0278 6.0278 6.0356 6.0356 6.6170 6.6170 6.6252 6.6252 7.5853 7.5859 k = 0.1714 0.4374-0.0000 ( 5712 PWs) bands (ev): -37.4799 -37.4799 -37.4798 -37.4798 -18.7562 -18.7561 -18.7513 -18.7513 -18.4208 -18.4208 -18.3853 -18.3852 -18.2865 -18.2865 -18.2535 -18.2534 -10.6983 -10.6983 -10.6963 -10.6963 -8.4085 -8.4085 -8.4084 -8.4084 0.2345 0.2346 0.2524 0.2524 0.5569 0.5570 0.5785 0.5785 0.9853 0.9853 1.0111 1.0111 3.4141 3.4141 3.4301 3.4302 3.7036 3.7036 3.7321 3.7322 4.1080 4.1081 4.1246 4.1247 6.0241 6.0241 6.0318 6.0318 6.6326 6.6326 6.6403 6.6404 7.5573 7.5594 k = 0.1571 0.4374-0.0000 ( 5724 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7551 -18.7551 -18.7506 -18.7505 -18.4195 -18.4195 -18.3863 -18.3862 -18.2857 -18.2857 -18.2548 -18.2548 -10.7015 -10.7015 -10.6996 -10.6996 -8.4073 -8.4073 -8.4072 -8.4071 0.2297 0.2297 0.2458 0.2458 0.5758 0.5758 0.5970 0.5971 0.9826 0.9826 1.0084 1.0084 3.4358 3.4359 3.4547 3.4548 3.6906 3.6906 3.7221 3.7222 4.0919 4.0919 4.1085 4.1086 6.0202 6.0202 6.0277 6.0277 6.6497 6.6498 6.6571 6.6572 7.5279 7.5295 k = 0.1429 0.4374-0.0000 ( 5720 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7541 -18.7541 -18.7499 -18.7498 -18.4182 -18.4182 -18.3873 -18.3873 -18.2847 -18.2847 -18.2561 -18.2561 -10.7045 -10.7044 -10.7028 -10.7027 -8.4061 -8.4061 -8.4060 -8.4060 0.2250 0.2250 0.2393 0.2394 0.5946 0.5946 0.6156 0.6156 0.9793 0.9794 1.0049 1.0050 3.4574 3.4575 3.4797 3.4798 3.6779 3.6780 3.7131 3.7132 4.0751 4.0751 4.0918 4.0918 6.0161 6.0161 6.0233 6.0233 6.6686 6.6686 6.6755 6.6755 7.4978 7.5011 k = 0.1286 0.4374-0.0000 ( 5722 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7532 -18.7532 -18.7492 -18.7492 -18.4167 -18.4167 -18.3885 -18.3885 -18.2837 -18.2837 -18.2575 -18.2575 -10.7072 -10.7072 -10.7057 -10.7056 -8.4051 -8.4050 -8.4050 -8.4049 0.2205 0.2205 0.2332 0.2332 0.6132 0.6133 0.6339 0.6339 0.9756 0.9757 1.0008 1.0008 3.4784 3.4784 3.5049 3.5050 3.6658 3.6659 3.7054 3.7055 4.0578 4.0578 4.0745 4.0745 6.0119 6.0119 6.0186 6.0186 6.6888 6.6888 6.6953 6.6953 7.4672 7.4684 k = 0.1143 0.4374-0.0000 ( 5720 PWs) bands (ev): -37.4800 -37.4800 -37.4799 -37.4799 -18.7523 -18.7523 -18.7487 -18.7487 -18.4152 -18.4152 -18.3898 -18.3897 -18.2826 -18.2826 -18.2589 -18.2589 -10.7098 -10.7097 -10.7083 -10.7083 -8.4041 -8.4041 -8.4040 -8.4039 0.2163 0.2163 0.2275 0.2275 0.6315 0.6316 0.6516 0.6517 0.9715 0.9715 0.9959 0.9959 3.4982 3.4982 3.5298 3.5299 3.6547 3.6547 3.6996 3.6996 4.0401 4.0401 4.0567 4.0567 6.0076 6.0076 6.0139 6.0139 6.7102 6.7102 6.7162 6.7162 7.4371 7.4382 k = 0.1000 0.4374-0.0000 ( 5730 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7515 -18.7515 -18.7483 -18.7483 -18.4137 -18.4137 -18.3911 -18.3911 -18.2814 -18.2814 -18.2604 -18.2604 -10.7120 -10.7120 -10.7108 -10.7107 -8.4032 -8.4032 -8.4031 -8.4031 0.2125 0.2125 0.2222 0.2222 0.6492 0.6492 0.6685 0.6686 0.9671 0.9671 0.9904 0.9905 3.5162 3.5162 3.5536 3.5537 3.6452 3.6452 3.6960 3.6960 4.0222 4.0223 4.0386 4.0386 6.0034 6.0035 6.0091 6.0091 6.7323 6.7323 6.7377 6.7377 7.4072 7.4078 k = 0.0857 0.4374-0.0000 ( 5722 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7507 -18.7507 -18.7479 -18.7479 -18.4121 -18.4121 -18.3925 -18.3925 -18.2801 -18.2801 -18.2619 -18.2619 -10.7140 -10.7140 -10.7129 -10.7129 -8.4024 -8.4024 -8.4023 -8.4023 0.2092 0.2092 0.2173 0.2174 0.6660 0.6660 0.6842 0.6843 0.9626 0.9627 0.9844 0.9845 3.5318 3.5318 3.5746 3.5747 3.6389 3.6389 3.6950 3.6950 4.0045 4.0046 4.0205 4.0205 5.9995 5.9995 6.0045 6.0045 6.7546 6.7546 6.7594 6.7594 7.3783 7.3784 k = 0.0714 0.4374-0.0000 ( 5718 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7500 -18.7500 -18.7476 -18.7476 -18.4105 -18.4105 -18.3940 -18.3940 -18.2788 -18.2788 -18.2635 -18.2635 -10.7157 -10.7156 -10.7148 -10.7147 -8.4018 -8.4017 -8.4017 -8.4017 0.2063 0.2064 0.2131 0.2131 0.6816 0.6817 0.6983 0.6984 0.9584 0.9584 0.9781 0.9781 3.5445 3.5446 3.5889 3.5889 3.6395 3.6395 3.6967 3.6967 3.9875 3.9875 4.0027 4.0027 5.9959 5.9959 6.0002 6.0002 6.7764 6.7764 6.7807 6.7807 7.3511 7.3511 k = 0.0571 0.4374-0.0000 ( 5714 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7494 -18.7493 -18.7474 -18.7474 -18.4088 -18.4088 -18.3955 -18.3955 -18.2774 -18.2774 -18.2650 -18.2650 -10.7171 -10.7170 -10.7163 -10.7163 -8.4012 -8.4012 -8.4011 -8.4011 0.2041 0.2041 0.2094 0.2094 0.6958 0.6959 0.7103 0.7104 0.9546 0.9546 0.9717 0.9717 3.5544 3.5544 3.5927 3.5928 3.6500 3.6501 3.7005 3.7005 3.9717 3.9718 3.9857 3.9857 5.9928 5.9928 5.9963 5.9963 6.7969 6.7969 6.8005 6.8005 7.3264 7.3264 k = 0.0429 0.4374-0.0000 ( 5714 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7488 -18.7488 -18.7474 -18.7473 -18.4071 -18.4071 -18.3971 -18.3971 -18.2759 -18.2759 -18.2666 -18.2666 -10.7181 -10.7181 -10.7176 -10.7175 -8.4008 -8.4008 -8.4007 -8.4007 0.2024 0.2024 0.2064 0.2064 0.7080 0.7081 0.7198 0.7199 0.9517 0.9517 0.9655 0.9655 3.5618 3.5618 3.5902 3.5902 3.6660 3.6661 3.7050 3.7050 3.9582 3.9582 3.9701 3.9701 5.9904 5.9904 5.9930 5.9931 6.8150 6.8150 6.8178 6.8178 7.3053 7.3053 k = 0.0286 0.4374-0.0000 ( 5716 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7483 -18.7483 -18.7474 -18.7474 -18.4054 -18.4054 -18.3987 -18.3987 -18.2744 -18.2744 -18.2682 -18.2682 -10.7189 -10.7188 -10.7185 -10.7184 -8.4005 -8.4004 -8.4004 -8.4004 0.2014 0.2014 0.2040 0.2040 0.7180 0.7180 0.7263 0.7264 0.9501 0.9501 0.9598 0.9598 3.5674 3.5674 3.5858 3.5858 3.6821 3.6821 3.7084 3.7084 3.9480 3.9480 3.9569 3.9570 5.9887 5.9887 5.9905 5.9905 6.8294 6.8295 6.8314 6.8314 7.2890 7.2890 k = 0.0143 0.4374-0.0000 ( 5708 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7480 -18.7479 -18.7475 -18.7475 -18.4037 -18.4037 -18.4003 -18.4003 -18.2729 -18.2729 -18.2698 -18.2698 -10.7193 -10.7192 -10.7191 -10.7190 -8.4003 -8.4003 -8.4002 -8.4002 0.2010 0.2010 0.2023 0.2023 0.7251 0.7252 0.7294 0.7295 0.9501 0.9501 0.9551 0.9552 3.5722 3.5722 3.5811 3.5811 3.6954 3.6955 3.7087 3.7087 3.9424 3.9424 3.9472 3.9472 5.9878 5.9878 5.9887 5.9887 6.8390 6.8390 6.8400 6.8400 7.2787 7.2788 k = 0.0000 0.4374-0.0000 ( 5706 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7476 -18.7476 -18.4020 -18.4020 -18.4020 -18.4020 -18.2713 -18.2713 -18.2713 -18.2713 -10.7193 -10.7193 -10.7193 -10.7193 -8.4002 -8.4002 -8.4002 -8.4002 0.2013 0.2013 0.2013 0.2013 0.7290 0.7290 0.7291 0.7291 0.9518 0.9518 0.9518 0.9518 3.5766 3.5766 3.5766 3.5766 3.7045 3.7045 3.7046 3.7046 3.9421 3.9421 3.9421 3.9421 5.9878 5.9878 5.9879 5.9879 6.8427 6.8427 6.8427 6.8427 7.2755 7.2755 k = 0.0000 0.4374-0.0000 ( 5706 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7476 -18.7476 -18.4020 -18.4020 -18.4020 -18.4020 -18.2713 -18.2713 -18.2713 -18.2713 -10.7193 -10.7193 -10.7193 -10.7193 -8.4002 -8.4002 -8.4002 -8.4002 0.2013 0.2013 0.2013 0.2013 0.7290 0.7290 0.7291 0.7291 0.9518 0.9518 0.9518 0.9518 3.5766 3.5766 3.5766 3.5766 3.7045 3.7045 3.7046 3.7046 3.9421 3.9421 3.9421 3.9421 5.9878 5.9878 5.9879 5.9879 6.8427 6.8427 6.8427 6.8427 7.2755 7.2755 k = 0.0000 0.4232-0.0000 ( 5708 PWs) bands (ev): -37.4808 -37.4808 -37.4793 -37.4793 -18.7506 -18.7506 -18.7448 -18.7448 -18.4050 -18.4050 -18.3990 -18.3990 -18.2716 -18.2716 -18.2710 -18.2710 -10.7289 -10.7289 -10.7102 -10.7102 -8.4025 -8.4025 -8.3969 -8.3969 0.1828 0.1828 0.2208 0.2209 0.7244 0.7245 0.7331 0.7332 0.9195 0.9195 0.9824 0.9824 3.5472 3.5472 3.5994 3.5994 3.6986 3.6986 3.7121 3.7121 3.9263 3.9263 3.9615 3.9615 5.9444 5.9444 6.0327 6.0327 6.8142 6.8142 6.8717 6.8717 7.2220 7.2220 k = 0.0000 0.4091-0.0000 ( 5718 PWs) bands (ev): -37.4815 -37.4815 -37.4786 -37.4786 -18.7534 -18.7534 -18.7419 -18.7419 -18.4081 -18.4081 -18.3960 -18.3960 -18.2720 -18.2720 -18.2706 -18.2706 -10.7389 -10.7389 -10.7016 -10.7016 -8.4040 -8.4040 -8.3926 -8.3926 0.1654 0.1654 0.2413 0.2413 0.7193 0.7193 0.7367 0.7367 0.8857 0.8857 1.0110 1.0110 3.5137 3.5137 3.6129 3.6129 3.6943 3.6943 3.7208 3.7208 3.9174 3.9174 3.9822 3.9823 5.9026 5.9026 6.0786 6.0786 6.7865 6.7865 6.9013 6.9013 7.1707 7.1707 k = 0.0000 0.3950-0.0000 ( 5716 PWs) bands (ev): -37.4823 -37.4823 -37.4778 -37.4778 -18.7563 -18.7563 -18.7390 -18.7390 -18.4111 -18.4111 -18.3930 -18.3930 -18.2722 -18.2722 -18.2702 -18.2702 -10.7492 -10.7492 -10.6936 -10.6936 -8.4045 -8.4045 -8.3874 -8.3874 0.1492 0.1492 0.2624 0.2624 0.7136 0.7136 0.7397 0.7397 0.8509 0.8509 1.0373 1.0373 3.4777 3.4777 3.6159 3.6159 3.6893 3.6893 3.7310 3.7310 3.9182 3.9182 4.0028 4.0028 5.8628 5.8628 6.1249 6.1249 6.7594 6.7594 6.9315 6.9315 7.1221 7.1221 k = 0.0000 0.3809-0.0000 ( 5721 PWs) bands (ev): -37.4830 -37.4830 -37.4771 -37.4771 -18.7591 -18.7591 -18.7362 -18.7362 -18.4141 -18.4141 -18.3901 -18.3901 -18.2725 -18.2725 -18.2699 -18.2699 -10.7600 -10.7600 -10.6860 -10.6860 -8.4041 -8.4041 -8.3812 -8.3812 0.1343 0.1343 0.2841 0.2841 0.7072 0.7072 0.7418 0.7418 0.8158 0.8158 1.0611 1.0611 3.4404 3.4404 3.6094 3.6095 3.6811 3.6811 3.7434 3.7435 3.9298 3.9298 4.0222 4.0222 5.8251 5.8251 6.1709 6.1709 6.7331 6.7331 6.9620 6.9620 7.0768 7.0768 k = 0.0000 0.3668-0.0000 ( 5723 PWs) bands (ev): -37.4838 -37.4838 -37.4764 -37.4764 -18.7619 -18.7619 -18.7334 -18.7334 -18.4170 -18.4170 -18.3872 -18.3872 -18.2727 -18.2727 -18.2695 -18.2695 -10.7710 -10.7710 -10.6791 -10.6791 -8.4029 -8.4029 -8.3742 -8.3742 0.1209 0.1209 0.3063 0.3063 0.6994 0.6994 0.7417 0.7417 0.7825 0.7825 1.0821 1.0821 3.4026 3.4026 3.5947 3.5947 3.6708 3.6708 3.7577 3.7578 3.9502 3.9502 4.0401 4.0401 5.7894 5.7894 6.2156 6.2156 6.7076 6.7076 6.9928 6.9928 7.0355 7.0355 k = 0.0000 0.3527-0.0000 ( 5713 PWs) bands (ev): -37.4845 -37.4845 -37.4756 -37.4756 -18.7647 -18.7647 -18.7306 -18.7306 -18.4199 -18.4199 -18.3844 -18.3844 -18.2729 -18.2729 -18.2690 -18.2690 -10.7822 -10.7822 -10.6726 -10.6726 -8.4010 -8.4010 -8.3662 -8.3662 0.1091 0.1091 0.3288 0.3288 0.6886 0.6886 0.7322 0.7322 0.7602 0.7602 1.1002 1.1002 3.3649 3.3649 3.5725 3.5725 3.6611 3.6611 3.7733 3.7733 3.9765 3.9765 4.0562 4.0562 5.7558 5.7558 6.2579 6.2579 6.6829 6.6829 6.9981 6.9981 7.0249 7.0249 k = 0.0000 0.3386-0.0000 ( 5717 PWs) bands (ev): -37.4852 -37.4852 -37.4749 -37.4749 -18.7674 -18.7674 -18.7278 -18.7278 -18.4228 -18.4228 -18.3816 -18.3816 -18.2731 -18.2731 -18.2686 -18.2686 -10.7936 -10.7936 -10.6668 -10.6668 -8.3983 -8.3983 -8.3574 -8.3574 0.0989 0.0989 0.3514 0.3514 0.6699 0.6700 0.7118 0.7119 0.7555 0.7555 1.1152 1.1152 3.3278 3.3278 3.5442 3.5442 3.6534 3.6534 3.7898 3.7898 4.0060 4.0061 4.0706 4.0706 5.7241 5.7241 6.2964 6.2964 6.6590 6.6590 6.9676 6.9676 7.0560 7.0560 k = 0.0000 0.3245-0.0000 ( 5725 PWs) bands (ev): -37.4859 -37.4859 -37.4742 -37.4742 -18.7700 -18.7700 -18.7252 -18.7252 -18.4257 -18.4257 -18.3788 -18.3788 -18.2732 -18.2732 -18.2682 -18.2682 -10.8052 -10.8052 -10.6615 -10.6615 -8.3949 -8.3949 -8.3479 -8.3479 0.0904 0.0904 0.3738 0.3738 0.6402 0.6402 0.6972 0.6972 0.7554 0.7554 1.1268 1.1268 3.2914 3.2915 3.5120 3.5120 3.6478 3.6478 3.8070 3.8070 4.0364 4.0364 4.0841 4.0842 5.6942 5.6942 6.3295 6.3295 6.6360 6.6360 6.9438 6.9438 7.0876 7.0876 k = 0.0000 0.3104-0.0000 ( 5725 PWs) bands (ev): -37.4866 -37.4866 -37.4736 -37.4736 -18.7726 -18.7726 -18.7225 -18.7225 -18.4284 -18.4284 -18.3762 -18.3762 -18.2734 -18.2734 -18.2677 -18.2677 -10.8167 -10.8167 -10.6568 -10.6568 -8.3910 -8.3910 -8.3377 -8.3377 0.0836 0.0836 0.3958 0.3958 0.6047 0.6047 0.6873 0.6874 0.7560 0.7560 1.1348 1.1348 3.2563 3.2563 3.4777 3.4777 3.6438 3.6438 3.8247 3.8247 4.0635 4.0636 4.1000 4.1000 5.6659 5.6659 6.3557 6.3557 6.6140 6.6140 6.9282 6.9282 7.1194 7.1194 k = 0.0000 0.2963-0.0000 ( 5733 PWs) bands (ev): -37.4872 -37.4872 -37.4729 -37.4729 -18.7751 -18.7751 -18.7200 -18.7200 -18.4311 -18.4311 -18.3736 -18.3736 -18.2734 -18.2734 -18.2673 -18.2673 -10.8283 -10.8283 -10.6526 -10.6526 -8.3865 -8.3865 -8.3268 -8.3268 0.0788 0.0788 0.4167 0.4167 0.5679 0.5679 0.6791 0.6791 0.7566 0.7566 1.1392 1.1393 3.2225 3.2225 3.4425 3.4425 3.6410 3.6410 3.8428 3.8428 4.0810 4.0811 4.1239 4.1239 5.6389 5.6389 6.3736 6.3736 6.5928 6.5928 6.9217 6.9217 7.1511 7.1511 k = 0.0000 0.2822-0.0000 ( 5751 PWs) bands (ev): -37.4879 -37.4879 -37.4723 -37.4723 -18.7776 -18.7776 -18.7175 -18.7175 -18.4338 -18.4338 -18.3711 -18.3711 -18.2735 -18.2735 -18.2669 -18.2669 -10.8399 -10.8399 -10.6489 -10.6489 -8.3816 -8.3816 -8.3154 -8.3154 0.0758 0.0758 0.4349 0.4349 0.5328 0.5328 0.6716 0.6716 0.7571 0.7571 1.1399 1.1399 3.1903 3.1903 3.4074 3.4074 3.6393 3.6393 3.8612 3.8612 4.0897 4.0897 4.1550 4.1550 5.6129 5.6129 6.3827 6.3827 6.5726 6.5726 6.9244 6.9244 7.1826 7.1826 k = 0.0000 0.2681-0.0000 ( 5759 PWs) bands (ev): -37.4885 -37.4885 -37.4717 -37.4717 -18.7800 -18.7800 -18.7151 -18.7151 -18.4364 -18.4364 -18.3687 -18.3687 -18.2736 -18.2736 -18.2665 -18.2665 -10.8513 -10.8513 -10.6457 -10.6457 -8.3763 -8.3763 -8.3035 -8.3035 0.0747 0.0747 0.4435 0.4435 0.5066 0.5066 0.6643 0.6643 0.7575 0.7575 1.1368 1.1368 3.1597 3.1598 3.3730 3.3730 3.6384 3.6384 3.8799 3.8799 4.0939 4.0939 4.1889 4.1889 5.5877 5.5877 6.3836 6.3836 6.5533 6.5533 6.9355 6.9355 7.2139 7.2139 k = 0.0000 0.2539-0.0000 ( 5749 PWs) bands (ev): -37.4891 -37.4891 -37.4710 -37.4710 -18.7822 -18.7822 -18.7127 -18.7127 -18.4389 -18.4389 -18.3664 -18.3664 -18.2736 -18.2736 -18.2661 -18.2661 -10.8625 -10.8625 -10.6429 -10.6429 -8.3707 -8.3707 -8.2913 -8.2913 0.0757 0.0757 0.4279 0.4279 0.5044 0.5044 0.6573 0.6573 0.7576 0.7576 1.1298 1.1298 3.1311 3.1311 3.3398 3.3398 3.6382 3.6382 3.8986 3.8986 4.0954 4.0954 4.2238 4.2239 5.5630 5.5630 6.3774 6.3774 6.5351 6.5351 6.9535 6.9535 7.2449 7.2449 k = 0.0000 0.2398-0.0000 ( 5745 PWs) bands (ev): -37.4897 -37.4897 -37.4705 -37.4705 -18.7844 -18.7844 -18.7104 -18.7104 -18.4413 -18.4413 -18.3641 -18.3641 -18.2735 -18.2735 -18.2657 -18.2657 -10.8735 -10.8735 -10.6406 -10.6406 -8.3649 -8.3649 -8.2789 -8.2789 0.0786 0.0786 0.3964 0.3964 0.5180 0.5180 0.6505 0.6505 0.7577 0.7577 1.1192 1.1192 3.1044 3.1044 3.3082 3.3082 3.6386 3.6386 3.9173 3.9174 4.0949 4.0949 4.2593 4.2593 5.5384 5.5384 6.3659 6.3659 6.5178 6.5178 6.9763 6.9763 7.2754 7.2754 k = 0.0000 0.2257-0.0000 ( 5739 PWs) bands (ev): -37.4902 -37.4902 -37.4699 -37.4699 -18.7865 -18.7865 -18.7083 -18.7083 -18.4435 -18.4435 -18.3620 -18.3620 -18.2735 -18.2735 -18.2653 -18.2653 -10.8842 -10.8842 -10.6387 -10.6387 -8.3589 -8.3589 -8.2664 -8.2664 0.0835 0.0835 0.3615 0.3615 0.5350 0.5350 0.6439 0.6439 0.7577 0.7577 1.1049 1.1049 3.0796 3.0796 3.2784 3.2784 3.6395 3.6395 3.9359 3.9359 4.0929 4.0929 4.2952 4.2952 5.5138 5.5138 6.3506 6.3506 6.5015 6.5015 7.0022 7.0022 7.3053 7.3053 k = 0.0000 0.2116-0.0000 ( 5739 PWs) bands (ev): -37.4908 -37.4908 -37.4694 -37.4694 -18.7885 -18.7885 -18.7062 -18.7062 -18.4457 -18.4457 -18.3600 -18.3600 -18.2734 -18.2734 -18.2649 -18.2649 -10.8945 -10.8945 -10.6371 -10.6371 -8.3529 -8.3529 -8.2538 -8.2538 0.0904 0.0904 0.3263 0.3263 0.5524 0.5524 0.6375 0.6375 0.7575 0.7575 1.0872 1.0872 3.0569 3.0569 3.2506 3.2506 3.6409 3.6409 3.9542 3.9542 4.0896 4.0896 4.3315 4.3315 5.4887 5.4887 6.3331 6.3331 6.4862 6.4862 7.0296 7.0296 7.3345 7.3345 k = 0.0000 0.1975-0.0000 ( 5739 PWs) bands (ev): -37.4913 -37.4913 -37.4689 -37.4689 -18.7904 -18.7904 -18.7043 -18.7043 -18.4478 -18.4478 -18.3581 -18.3581 -18.2733 -18.2733 -18.2645 -18.2645 -10.9044 -10.9044 -10.6358 -10.6358 -8.3468 -8.3468 -8.2413 -8.2413 0.0991 0.0991 0.2919 0.2919 0.5691 0.5691 0.6315 0.6315 0.7574 0.7574 1.0662 1.0662 3.0362 3.0362 3.2249 3.2249 3.6426 3.6426 3.9720 3.9720 4.0853 4.0853 4.3681 4.3681 5.4630 5.4631 6.3143 6.3143 6.4719 6.4719 7.0573 7.0573 7.3628 7.3628 k = 0.0000 0.1834-0.0000 ( 5731 PWs) bands (ev): -37.4917 -37.4917 -37.4684 -37.4684 -18.7922 -18.7922 -18.7024 -18.7024 -18.4498 -18.4498 -18.3563 -18.3563 -18.2732 -18.2732 -18.2641 -18.2641 -10.9139 -10.9139 -10.6348 -10.6348 -8.3409 -8.3409 -8.2291 -8.2291 0.1096 0.1096 0.2590 0.2590 0.5846 0.5846 0.6260 0.6260 0.7572 0.7572 1.0424 1.0425 3.0175 3.0176 3.2014 3.2014 3.6445 3.6445 3.9892 3.9892 4.0803 4.0803 4.4051 4.4051 5.4366 5.4366 6.2951 6.2951 6.4585 6.4585 7.0845 7.0845 7.3900 7.3900 k = 0.0000 0.1693-0.0000 ( 5739 PWs) bands (ev): -37.4922 -37.4922 -37.4680 -37.4680 -18.7938 -18.7938 -18.7007 -18.7007 -18.4516 -18.4516 -18.3546 -18.3546 -18.2731 -18.2731 -18.2638 -18.2638 -10.9228 -10.9228 -10.6341 -10.6341 -8.3351 -8.3351 -8.2172 -8.2172 0.1214 0.1214 0.2281 0.2281 0.5982 0.5982 0.6216 0.6216 0.7571 0.7571 1.0161 1.0161 3.0008 3.0008 3.1800 3.1800 3.6466 3.6466 4.0057 4.0057 4.0748 4.0748 4.4426 4.4426 5.4092 5.4092 6.2760 6.2760 6.4462 6.4462 7.1107 7.1107 7.4161 7.4161 k = 0.0000 0.1552-0.0000 ( 5747 PWs) bands (ev): -37.4926 -37.4926 -37.4676 -37.4676 -18.7954 -18.7954 -18.6991 -18.6991 -18.4534 -18.4534 -18.3531 -18.3531 -18.2730 -18.2730 -18.2635 -18.2635 -10.9312 -10.9312 -10.6336 -10.6336 -8.3294 -8.3294 -8.2058 -8.2058 0.1336 0.1336 0.2004 0.2004 0.6063 0.6063 0.6216 0.6217 0.7570 0.7570 0.9877 0.9877 2.9860 2.9860 3.1608 3.1608 3.6489 3.6489 4.0211 4.0211 4.0692 4.0692 4.4804 4.4805 5.3808 5.3808 6.2576 6.2576 6.4348 6.4348 7.1354 7.1354 7.4408 7.4408 k = 0.0000 0.1411-0.0000 ( 5743 PWs) bands (ev): -37.4930 -37.4930 -37.4672 -37.4672 -18.7968 -18.7968 -18.6976 -18.6976 -18.4549 -18.4549 -18.3516 -18.3516 -18.2729 -18.2729 -18.2632 -18.2632 -10.9390 -10.9390 -10.6332 -10.6332 -8.3241 -8.3241 -8.1949 -8.1949 0.1409 0.1409 0.1812 0.1812 0.6055 0.6056 0.6295 0.6295 0.7570 0.7570 0.9577 0.9577 2.9730 2.9730 3.1435 3.1435 3.6512 3.6512 4.0348 4.0348 4.0642 4.0642 4.5187 4.5187 5.3513 5.3513 6.2400 6.2400 6.4246 6.4246 7.1584 7.1584 7.4641 7.4641 k = 0.0000 0.1270-0.0000 ( 5737 PWs) bands (ev): -37.4933 -37.4933 -37.4668 -37.4668 -18.7981 -18.7981 -18.6963 -18.6963 -18.4564 -18.4564 -18.3504 -18.3504 -18.2728 -18.2728 -18.2629 -18.2629 -10.9462 -10.9462 -10.6330 -10.6330 -8.3191 -8.3191 -8.1847 -8.1847 0.1307 0.1308 0.1832 0.1832 0.6020 0.6020 0.6390 0.6390 0.7572 0.7572 0.9267 0.9267 2.9617 2.9617 3.1283 3.1283 3.6534 3.6534 4.0443 4.0443 4.0624 4.0624 4.5573 4.5574 5.3207 5.3207 6.2237 6.2237 6.4153 6.4153 7.1794 7.1794 7.4857 7.4857 k = 0.0000 0.1129-0.0000 ( 5729 PWs) bands (ev): -37.4936 -37.4936 -37.4665 -37.4665 -18.7992 -18.7992 -18.6950 -18.6950 -18.4577 -18.4577 -18.3492 -18.3492 -18.2727 -18.2727 -18.2626 -18.2626 -10.9527 -10.9527 -10.6329 -10.6329 -8.3144 -8.3144 -8.1753 -8.1753 0.1110 0.1110 0.1983 0.1983 0.5983 0.5983 0.6475 0.6475 0.7574 0.7574 0.8952 0.8952 2.9520 2.9520 3.1150 3.1150 3.6556 3.6556 4.0446 4.0447 4.0687 4.0687 4.5962 4.5962 5.2891 5.2891 6.2087 6.2087 6.4070 6.4070 7.1985 7.1985 7.5056 7.5056 k = 0.0000 0.0988-0.0000 ( 5721 PWs) bands (ev): -37.4939 -37.4939 -37.4663 -37.4663 -18.8002 -18.8002 -18.6940 -18.6939 -18.4588 -18.4588 -18.3482 -18.3482 -18.2726 -18.2726 -18.2624 -18.2624 -10.9585 -10.9585 -10.6329 -10.6329 -8.3102 -8.3102 -8.1667 -8.1667 0.0911 0.0911 0.2169 0.2169 0.5948 0.5948 0.6543 0.6543 0.7577 0.7577 0.8642 0.8642 2.9438 2.9438 3.1034 3.1035 3.6577 3.6577 4.0406 4.0406 4.0786 4.0786 4.6350 4.6350 5.2567 5.2567 6.1951 6.1951 6.3997 6.3997 7.2155 7.2155 7.5235 7.5235 k = 0.0000 0.0846-0.0000 ( 5723 PWs) bands (ev): -37.4942 -37.4942 -37.4660 -37.4660 -18.8011 -18.8011 -18.6930 -18.6930 -18.4598 -18.4598 -18.3473 -18.3473 -18.2725 -18.2725 -18.2622 -18.2622 -10.9637 -10.9637 -10.6329 -10.6329 -8.3065 -8.3065 -8.1592 -8.1592 0.0730 0.0730 0.2368 0.2368 0.5917 0.5917 0.6591 0.6591 0.7580 0.7580 0.8347 0.8347 2.9370 2.9370 3.0936 3.0936 3.6596 3.6596 4.0359 4.0359 4.0882 4.0882 4.6736 4.6736 5.2237 5.2237 6.1832 6.1832 6.3933 6.3933 7.2303 7.2303 7.5393 7.5393 k = 0.0000 0.0705-0.0000 ( 5729 PWs) bands (ev): -37.4944 -37.4944 -37.4658 -37.4658 -18.8019 -18.8019 -18.6922 -18.6922 -18.4607 -18.4607 -18.3465 -18.3465 -18.2724 -18.2724 -18.2620 -18.2620 -10.9680 -10.9680 -10.6330 -10.6330 -8.3033 -8.3033 -8.1526 -8.1526 0.0572 0.0572 0.2569 0.2569 0.5891 0.5891 0.6616 0.6616 0.7578 0.7578 0.8080 0.8080 2.9315 2.9315 3.0855 3.0855 3.6613 3.6613 4.0314 4.0314 4.0968 4.0968 4.7113 4.7113 5.1906 5.1906 6.1730 6.1730 6.3880 6.3880 7.2429 7.2429 7.5529 7.5529 k = 0.0000 0.0564-0.0000 ( 5729 PWs) bands (ev): -37.4945 -37.4945 -37.4656 -37.4656 -18.8025 -18.8025 -18.6916 -18.6916 -18.4614 -18.4614 -18.3459 -18.3459 -18.2723 -18.2723 -18.2619 -18.2619 -10.9716 -10.9716 -10.6331 -10.6331 -8.3006 -8.3006 -8.1471 -8.1471 0.0441 0.0441 0.2763 0.2763 0.5871 0.5871 0.6615 0.6615 0.7563 0.7563 0.7865 0.7865 2.9271 2.9271 3.0789 3.0789 3.6627 3.6627 4.0276 4.0276 4.1039 4.1039 4.7476 4.7476 5.1582 5.1582 6.1645 6.1645 6.3836 6.3836 7.2533 7.2533 7.5642 7.5642 k = 0.0000 0.0423-0.0000 ( 5741 PWs) bands (ev): -37.4947 -37.4947 -37.4655 -37.4655 -18.8030 -18.8030 -18.6911 -18.6911 -18.4620 -18.4620 -18.3455 -18.3455 -18.2723 -18.2723 -18.2618 -18.2618 -10.9744 -10.9744 -10.6332 -10.6332 -8.2985 -8.2985 -8.1428 -8.1428 0.0338 0.0338 0.2937 0.2937 0.5856 0.5856 0.6587 0.6587 0.7514 0.7514 0.7736 0.7736 2.9238 2.9238 3.0738 3.0738 3.6638 3.6638 4.0244 4.0244 4.1096 4.1096 4.7811 4.7812 5.1277 5.1277 6.1579 6.1579 6.3802 6.3802 7.2615 7.2615 7.5731 7.5731 k = 0.0000 0.0282-0.0000 ( 5751 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8034 -18.8034 -18.6907 -18.6907 -18.4624 -18.4624 -18.3451 -18.3451 -18.2723 -18.2723 -18.2617 -18.2617 -10.9764 -10.9764 -10.6332 -10.6332 -8.2969 -8.2969 -8.1397 -8.1397 0.0264 0.0264 0.3078 0.3078 0.5847 0.5847 0.6540 0.6540 0.7440 0.7440 0.7690 0.7690 2.9215 2.9215 3.0702 3.0702 3.6647 3.6647 4.0221 4.0221 4.1137 4.1137 4.8098 4.8098 5.1012 5.1012 6.1531 6.1531 6.3777 6.3777 7.2673 7.2673 7.5795 7.5795 k = 0.0000 0.0141-0.0000 ( 5753 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8036 -18.8036 -18.6905 -18.6905 -18.4626 -18.4626 -18.3449 -18.3449 -18.2723 -18.2723 -18.2616 -18.2616 -10.9777 -10.9777 -10.6333 -10.6333 -8.2960 -8.2960 -8.1378 -8.1378 0.0219 0.0219 0.3171 0.3171 0.5843 0.5843 0.6495 0.6496 0.7387 0.7387 0.7678 0.7678 2.9201 2.9201 3.0681 3.0681 3.6652 3.6652 4.0208 4.0208 4.1162 4.1162 4.8300 4.8300 5.0822 5.0822 6.1502 6.1502 6.3763 6.3763 7.2708 7.2708 7.5834 7.5834 k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -37.4949 -37.4949 -37.4654 -37.4654 -18.8037 -18.8037 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3449 -18.2723 -18.2723 -18.2616 -18.2616 -10.9781 -10.9781 -10.6333 -10.6333 -8.2957 -8.2957 -8.1372 -8.1372 0.0204 0.0204 0.3204 0.3204 0.5842 0.5842 0.6477 0.6477 0.7369 0.7369 0.7675 0.7675 2.9197 2.9197 3.0674 3.0674 3.6653 3.6653 4.0203 4.0203 4.1170 4.1170 4.8375 4.8375 5.0751 5.0751 6.1493 6.1493 6.3758 6.3758 7.2720 7.2720 7.5847 7.5847 k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -37.4949 -37.4949 -37.4654 -37.4654 -18.8037 -18.8037 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3449 -18.2723 -18.2723 -18.2616 -18.2616 -10.9781 -10.9781 -10.6333 -10.6333 -8.2957 -8.2957 -8.1372 -8.1372 0.0204 0.0204 0.3204 0.3204 0.5842 0.5842 0.6477 0.6477 0.7369 0.7369 0.7675 0.7675 2.9197 2.9197 3.0674 3.0674 3.6653 3.6653 4.0203 4.0203 4.1170 4.1170 4.8375 4.8375 5.0751 5.0751 6.1493 6.1493 6.3758 6.3758 7.2720 7.2720 7.5847 7.5847 k = 0.0000 0.0000 0.0143 ( 5749 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3449 -18.2723 -18.2723 -18.2616 -18.2616 -10.9777 -10.9777 -10.6337 -10.6337 -8.2957 -8.2957 -8.1372 -8.1372 0.0208 0.0209 0.3199 0.3208 0.5814 0.5826 0.6435 0.6540 0.7320 0.7417 0.7683 0.7696 2.9172 2.9172 3.0667 3.0676 3.6646 3.6647 4.0205 4.0213 4.1171 4.1171 4.8391 4.8415 5.0737 5.0752 6.1489 6.1501 6.3766 6.3766 7.2716 7.2719 7.5847 7.5847 k = 0.0000 0.0000 0.0285 ( 5739 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2722 -18.2616 -18.2616 -10.9767 -10.9767 -10.6348 -10.6347 -8.2956 -8.2955 -8.1372 -8.1372 0.0221 0.0224 0.3193 0.3212 0.5750 0.5769 0.6409 0.6614 0.7271 0.7465 0.7720 0.7744 2.9097 2.9098 3.0656 3.0673 3.6625 3.6627 4.0219 4.0235 4.1174 4.1174 4.8461 4.8510 5.0709 5.0739 6.1490 6.1514 6.3789 6.3789 7.2707 7.2713 7.5845 7.5845 k = 0.0000 0.0000 0.0428 ( 5739 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2722 -18.2616 -18.2616 -10.9751 -10.9751 -10.6366 -10.6365 -8.2954 -8.2953 -8.1372 -8.1372 0.0243 0.0248 0.3187 0.3215 0.5662 0.5681 0.6391 0.6688 0.7227 0.7512 0.7784 0.7814 2.8976 2.8976 3.0641 3.0666 3.6591 3.6594 4.0245 4.0269 4.1179 4.1180 4.8579 4.8656 5.0669 5.0717 6.1496 6.1531 6.3827 6.3827 7.2694 7.2703 7.5842 7.5843 k = 0.0000 0.0000 0.0570 ( 5742 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2723 -18.2616 -18.2616 -10.9728 -10.9728 -10.6391 -10.6390 -8.2951 -8.2951 -8.1373 -8.1372 0.0275 0.0281 0.3180 0.3217 0.5559 0.5574 0.6371 0.6747 0.7197 0.7561 0.7870 0.7904 2.8812 2.8812 3.0622 3.0655 3.6544 3.6548 4.0283 4.0314 4.1186 4.1187 4.8739 4.8846 5.0620 5.0690 6.1507 6.1552 6.3879 6.3879 7.2678 7.2689 7.5838 7.5839 k = 0.0000 0.0000 0.0713 ( 5730 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2723 -18.2616 -18.2615 -10.9699 -10.9699 -10.6423 -10.6422 -8.2948 -8.2948 -8.1373 -8.1373 0.0315 0.0323 0.3173 0.3217 0.5447 0.5458 0.6343 0.6774 0.7196 0.7612 0.7975 0.8009 2.8610 2.8610 3.0600 3.0639 3.6486 3.6490 4.0332 4.0370 4.1196 4.1197 4.8927 4.9070 5.0569 5.0667 6.1521 6.1576 6.3944 6.3945 7.2658 7.2671 7.5834 7.5835 k = 0.0000 0.0000 0.0855 ( 5732 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2723 -18.2616 -18.2615 -10.9664 -10.9663 -10.6462 -10.6461 -8.2944 -8.2944 -8.1373 -8.1373 0.0363 0.0373 0.3167 0.3217 0.5330 0.5338 0.6306 0.6757 0.7233 0.7665 0.8094 0.8126 2.8375 2.8375 3.0574 3.0619 3.6417 3.6422 4.0392 4.0435 4.1206 4.1208 4.9122 4.9307 5.0531 5.0664 6.1538 6.1603 6.4021 6.4022 7.2636 7.2651 7.5829 7.5830 k = 0.0000 0.0000 0.0998 ( 5728 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2723 -18.2723 -18.2616 -18.2615 -10.9623 -10.9622 -10.6507 -10.6506 -8.2940 -8.2939 -8.1374 -8.1373 0.0419 0.0431 0.3160 0.3216 0.5213 0.5217 0.6260 0.6704 0.7300 0.7721 0.8222 0.8251 2.8113 2.8114 3.0546 3.0596 3.6339 3.6345 4.0461 4.0509 4.1219 4.1220 4.9295 4.9519 5.0538 5.0705 6.1559 6.1631 6.4108 6.4108 7.2613 7.2628 7.5822 7.5824 k = 0.0000 0.0000 0.1140 ( 5728 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2724 -18.2723 -18.2616 -18.2615 -10.9576 -10.9575 -10.6558 -10.6557 -8.2935 -8.2935 -8.1374 -8.1374 0.0483 0.0496 0.3154 0.3214 0.5096 0.5098 0.6205 0.6628 0.7385 0.7781 0.8355 0.8381 2.7832 2.7833 3.0515 3.0569 3.6254 3.6260 4.0538 4.0591 4.1232 4.1234 4.9411 4.9649 5.0645 5.0820 6.1581 6.1660 6.4204 6.4204 7.2589 7.2604 7.5816 7.5817 k = 0.0000 0.0000 0.1283 ( 5720 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6904 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2724 -18.2723 -18.2616 -18.2615 -10.9524 -10.9523 -10.6614 -10.6613 -8.2930 -8.2929 -8.1374 -8.1374 0.0553 0.0568 0.3148 0.3211 0.4981 0.4982 0.6143 0.6539 0.7479 0.7844 0.8490 0.8514 2.7536 2.7538 3.0483 3.0540 3.6162 3.6169 4.0624 4.0680 4.1247 4.1249 4.9451 4.9666 5.0875 5.1022 6.1604 6.1689 6.4306 6.4306 7.2564 7.2579 7.5808 7.5810 k = 0.0000 0.0000 0.1425 ( 5720 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2724 -18.2724 -18.2616 -18.2615 -10.9467 -10.9467 -10.6676 -10.6674 -8.2925 -8.2924 -8.1375 -8.1374 0.0630 0.0646 0.3142 0.3208 0.4870 0.4872 0.6073 0.6440 0.7578 0.7910 0.8625 0.8646 2.7232 2.7235 3.0450 3.0509 3.6067 3.6073 4.0715 4.0773 4.1262 4.1265 4.9425 4.9604 5.1190 5.1299 6.1628 6.1716 6.4413 6.4413 7.2538 7.2553 7.5800 7.5802 k = 0.0000 0.0000 0.1568 ( 5728 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2725 -18.2724 -18.2616 -18.2615 -10.9406 -10.9406 -10.6742 -10.6740 -8.2919 -8.2918 -8.1375 -8.1375 0.0711 0.0729 0.3137 0.3203 0.4764 0.4767 0.5997 0.6334 0.7679 0.7979 0.8758 0.8777 2.6926 2.6930 3.0417 3.0477 3.5969 3.5975 4.0810 4.0870 4.1278 4.1282 4.9353 4.9501 5.1547 5.1623 6.1651 6.1742 6.4522 6.4523 7.2513 7.2526 7.5792 7.5794 k = 0.0000 0.0000 0.1710 ( 5730 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3448 -18.2725 -18.2725 -18.2616 -18.2615 -10.9342 -10.9341 -10.6811 -10.6810 -8.2914 -8.2913 -8.1376 -8.1375 0.0797 0.0816 0.3132 0.3197 0.4664 0.4669 0.5917 0.6224 0.7781 0.8049 0.8887 0.8903 2.6623 2.6627 3.0385 3.0444 3.5871 3.5877 4.0909 4.0970 4.1295 4.1299 4.9254 4.9378 5.1922 5.1972 6.1672 6.1765 6.4632 6.4633 7.2487 7.2499 7.5784 7.5786 k = 0.0000 0.0000 0.1853 ( 5726 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2725 -18.2725 -18.2616 -18.2615 -10.9274 -10.9273 -10.6884 -10.6883 -8.2908 -8.2907 -8.1376 -8.1376 0.0885 0.0905 0.3127 0.3191 0.4572 0.4577 0.5834 0.6111 0.7881 0.8119 0.9010 0.9024 2.6329 2.6333 3.0354 3.0411 3.5774 3.5779 4.1009 4.1069 4.1311 4.1317 4.9141 4.9245 5.2299 5.2329 6.1692 6.1784 6.4741 6.4742 7.2462 7.2472 7.5776 7.5778 k = 0.0000 0.0000 0.1995 ( 5718 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6904 -18.4627 -18.4627 -18.3449 -18.3448 -18.2725 -18.2725 -18.2616 -18.2615 -10.9203 -10.9202 -10.6959 -10.6958 -8.2903 -8.2902 -8.1377 -8.1376 0.0975 0.0996 0.3123 0.3183 0.4487 0.4493 0.5749 0.5998 0.7979 0.8189 0.9126 0.9138 2.6047 2.6051 3.0324 3.0379 3.5680 3.5685 4.1107 4.1167 4.1328 4.1335 4.9022 4.9110 5.2667 5.2684 6.1710 6.1799 6.4847 6.4847 7.2437 7.2446 7.5768 7.5771 k = 0.0000 0.0000 0.2138 ( 5732 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8036 -18.8036 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3448 -18.2726 -18.2725 -18.2616 -18.2615 -10.9132 -10.9131 -10.7035 -10.7034 -8.2898 -8.2897 -8.1377 -8.1377 0.1064 0.1086 0.3119 0.3175 0.4411 0.4417 0.5666 0.5886 0.8073 0.8255 0.9233 0.9244 2.5782 2.5786 3.0297 3.0349 3.5590 3.5595 4.1200 4.1258 4.1347 4.1355 4.8901 4.8977 5.3020 5.3026 6.1724 6.1810 6.4946 6.4947 7.2413 7.2421 7.5761 7.5763 k = 0.0000 0.0000 0.2281 ( 5742 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8036 -18.8036 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3448 -18.2726 -18.2726 -18.2616 -18.2616 -10.9060 -10.9059 -10.7111 -10.7109 -8.2893 -8.2892 -8.1378 -8.1377 0.1152 0.1173 0.3115 0.3167 0.4343 0.4349 0.5585 0.5777 0.8162 0.8318 0.9330 0.9339 2.5538 2.5543 3.0272 3.0320 3.5507 3.5512 4.1280 4.1328 4.1381 4.1383 4.8785 4.8849 5.3347 5.3348 6.1737 6.1817 6.5039 6.5039 7.2391 7.2397 7.5754 7.5756 k = 0.0000 0.0000 0.2423 ( 5738 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6905 -18.6905 -18.4627 -18.4627 -18.3449 -18.3448 -18.2726 -18.2726 -18.2616 -18.2616 -10.8990 -10.8989 -10.7185 -10.7183 -8.2889 -8.2888 -8.1378 -8.1378 0.1235 0.1256 0.3112 0.3158 0.4285 0.4290 0.5509 0.5674 0.8244 0.8375 0.9417 0.9424 2.5319 2.5324 3.0251 3.0293 3.5432 3.5436 4.1333 4.1356 4.1431 4.1449 4.8676 4.8730 5.3642 5.3648 6.1746 6.1819 6.5123 6.5123 7.2371 7.2375 7.5747 7.5749 k = 0.0000 0.0000 0.2566 ( 5746 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8923 -10.8922 -10.7255 -10.7254 -8.2885 -8.2884 -8.1378 -8.1378 0.1312 0.1331 0.3109 0.3148 0.4235 0.4240 0.5441 0.5578 0.8317 0.8425 0.9492 0.9498 2.5128 2.5132 3.0232 3.0269 3.5366 3.5370 4.1359 4.1370 4.1495 4.1520 4.8578 4.8623 5.3903 5.3911 6.1754 6.1818 6.5196 6.5197 7.2353 7.2356 7.5741 7.5743 k = 0.0000 0.0000 0.2708 ( 5740 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6905 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8862 -10.8861 -10.7319 -10.7318 -8.2881 -8.2881 -8.1379 -8.1378 0.1381 0.1397 0.3107 0.3139 0.4195 0.4199 0.5383 0.5493 0.8381 0.8467 0.9554 0.9559 2.4968 2.4972 3.0218 3.0248 3.5311 3.5314 4.1374 4.1380 4.1559 4.1582 4.8495 4.8530 5.4125 5.4135 6.1760 6.1813 6.5258 6.5259 7.2338 7.2340 7.5736 7.5738 k = 0.0000 0.0000 0.2851 ( 5742 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8809 -10.8808 -10.7374 -10.7373 -8.2879 -8.2878 -8.1379 -8.1379 0.1438 0.1451 0.3106 0.3130 0.4164 0.4167 0.5338 0.5421 0.8435 0.8498 0.9604 0.9607 2.4841 2.4844 3.0207 3.0230 3.5267 3.5269 4.1384 4.1388 4.1613 4.1632 4.8428 4.8455 5.4304 5.4313 6.1765 6.1807 6.5308 6.5308 7.2325 7.2327 7.5733 7.5734 k = 0.0000 0.0000 0.2993 ( 5750 PWs) bands (ev): -37.4949 -37.4949 -37.4654 -37.4654 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8768 -10.8767 -10.7416 -10.7416 -8.2877 -8.2877 -8.1379 -8.1379 0.1482 0.1491 0.3106 0.3122 0.4142 0.4144 0.5308 0.5363 0.8476 0.8518 0.9639 0.9642 2.4750 2.4751 3.0201 3.0216 3.5235 3.5236 4.1391 4.1394 4.1655 4.1668 4.8380 4.8398 5.4436 5.4442 6.1771 6.1799 6.5344 6.5344 7.2316 7.2317 7.5730 7.5730 k = 0.0000 0.0000 0.3136 ( 5744 PWs) bands (ev): -37.4949 -37.4949 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8741 -10.8741 -10.7443 -10.7443 -8.2876 -8.2875 -8.1379 -8.1379 0.1510 0.1515 0.3107 0.3115 0.4129 0.4130 0.5294 0.5322 0.8506 0.8527 0.9661 0.9662 2.4694 2.4695 3.0199 3.0206 3.5215 3.5216 4.1396 4.1397 4.1682 4.1689 4.8352 4.8361 5.4517 5.4520 6.1777 6.1791 6.5366 6.5366 7.2311 7.2312 7.5728 7.5728 k = 0.0000 0.0000 0.3278 ( 5736 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8732 -10.8732 -10.7453 -10.7453 -8.2875 -8.2875 -8.1379 -8.1379 0.1521 0.1521 0.3110 0.3110 0.4125 0.4125 0.5299 0.5299 0.8523 0.8523 0.9669 0.9669 2.4676 2.4676 3.0200 3.0200 3.5209 3.5209 4.1398 4.1398 4.1694 4.1694 4.8346 4.8346 5.4545 5.4545 6.1784 6.1784 6.5373 6.5373 7.2310 7.2310 7.5728 7.5728 k = 0.0000 0.0000 0.3278 ( 5736 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8732 -10.8732 -10.7453 -10.7453 -8.2875 -8.2875 -8.1379 -8.1379 0.1521 0.1521 0.3110 0.3110 0.4125 0.4125 0.5299 0.5299 0.8523 0.8523 0.9669 0.9669 2.4676 2.4676 3.0200 3.0200 3.5209 3.5209 4.1398 4.1398 4.1694 4.1694 4.8346 4.8346 5.4545 5.4545 6.1784 6.1784 6.5373 6.5373 7.2310 7.2310 7.5728 7.5728 k = 0.0143-0.0000 0.3278 ( 5728 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8038 -18.8032 -18.6907 -18.6906 -18.4630 -18.4622 -18.3460 -18.3438 -18.2729 -18.2725 -18.2624 -18.2608 -10.8731 -10.8729 -10.7452 -10.7451 -8.2875 -8.2875 -8.1381 -8.1381 0.1524 0.1524 0.3058 0.3062 0.4169 0.4169 0.5296 0.5308 0.8512 0.8518 0.9657 0.9669 2.4698 2.4700 3.0205 3.0207 3.5201 3.5206 4.1388 4.1389 4.1692 4.1703 4.8338 4.8342 5.4541 5.4541 6.1757 6.1764 6.5366 6.5368 7.2294 7.2301 7.5757 7.5769 k = 0.0286-0.0000 0.3278 ( 5732 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8040 -18.8028 -18.6909 -18.6907 -18.4633 -18.4618 -18.3473 -18.3430 -18.2731 -18.2724 -18.2632 -18.2601 -10.8725 -10.8722 -10.7448 -10.7448 -8.2875 -8.2875 -8.1385 -8.1385 0.1535 0.1535 0.2924 0.2932 0.4279 0.4279 0.5300 0.5323 0.8486 0.8498 0.9632 0.9656 2.4766 2.4769 3.0220 3.0224 3.5181 3.5192 4.1360 4.1362 4.1698 4.1719 4.8319 4.8327 5.4528 5.4528 6.1684 6.1699 6.5345 6.5349 7.2256 7.2270 7.5856 7.5879 k = 0.0429-0.0000 0.3278 ( 5728 PWs) bands (ev): -37.4947 -37.4947 -37.4655 -37.4655 -18.8040 -18.8023 -18.6913 -18.6910 -18.4636 -18.4613 -18.3486 -18.3422 -18.2734 -18.2722 -18.2640 -18.2594 -10.8714 -10.8710 -10.7443 -10.7442 -8.2875 -8.2874 -8.1393 -8.1393 0.1551 0.1553 0.2744 0.2756 0.4421 0.4423 0.5310 0.5346 0.8445 0.8462 0.9596 0.9632 2.4879 2.4883 3.0246 3.0251 3.5150 3.5166 4.1315 4.1317 4.1711 4.1742 4.8289 4.8300 5.4505 5.4505 6.1567 6.1590 6.5312 6.5318 7.2201 7.2220 7.6017 7.6050 k = 0.0571-0.0000 0.3278 ( 5720 PWs) bands (ev): -37.4946 -37.4946 -37.4655 -37.4655 -18.8040 -18.8017 -18.6918 -18.6914 -18.4638 -18.4608 -18.3501 -18.3416 -18.2738 -18.2721 -18.2648 -18.2588 -10.8700 -10.8694 -10.7435 -10.7434 -8.2875 -8.2874 -8.1403 -8.1403 0.1572 0.1578 0.2540 0.2558 0.4573 0.4576 0.5329 0.5376 0.8387 0.8409 0.9550 0.9597 2.5035 2.5041 3.0282 3.0288 3.5110 3.5131 4.1253 4.1255 4.1732 4.1772 4.8247 4.8262 5.4474 5.4474 6.1410 6.1441 6.5269 6.5276 7.2133 7.2154 7.6232 7.6272 k = 0.0714-0.0000 0.3278 ( 5726 PWs) bands (ev): -37.4944 -37.4944 -37.4657 -37.4657 -18.8038 -18.8010 -18.6925 -18.6920 -18.4640 -18.4603 -18.3517 -18.3412 -18.2742 -18.2720 -18.2655 -18.2582 -10.8681 -10.8674 -10.7425 -10.7424 -8.2875 -8.2874 -8.1417 -8.1417 0.1595 0.1609 0.2323 0.2351 0.4722 0.4726 0.5358 0.5416 0.8312 0.8337 0.9497 0.9554 2.5232 2.5239 3.0327 3.0335 3.5062 3.5087 4.1175 4.1177 4.1760 4.1808 4.8195 4.8214 5.4433 5.4434 6.1218 6.1256 6.5217 6.5226 7.2057 7.2079 7.6488 7.6535 k = 0.0857-0.0000 0.3278 ( 5720 PWs) bands (ev): -37.4943 -37.4943 -37.4658 -37.4658 -18.8036 -18.8002 -18.6933 -18.6927 -18.4641 -18.4598 -18.3534 -18.3409 -18.2747 -18.2719 -18.2663 -18.2576 -10.8658 -10.8649 -10.7413 -10.7412 -8.2875 -8.2873 -8.1434 -8.1434 0.1611 0.1644 0.2103 0.2152 0.4860 0.4863 0.5401 0.5468 0.8218 0.8246 0.9439 0.9504 2.5468 2.5476 3.0381 3.0391 3.5006 3.5036 4.1083 4.1085 4.1794 4.1850 4.8132 4.8156 5.4383 5.4384 6.0995 6.1040 6.5159 6.5168 7.1975 7.1997 7.6776 7.6827 k = 0.1000-0.0000 0.3278 ( 5728 PWs) bands (ev): -37.4941 -37.4941 -37.4660 -37.4660 -18.8032 -18.7994 -18.6942 -18.6935 -18.4641 -18.4593 -18.3552 -18.3409 -18.2752 -18.2719 -18.2669 -18.2572 -10.8631 -10.8621 -10.7399 -10.7398 -8.2875 -8.2873 -8.1453 -8.1453 0.1594 0.1672 0.1895 0.1990 0.4978 0.4981 0.5463 0.5534 0.8106 0.8133 0.9378 0.9449 2.5739 2.5749 3.0442 3.0454 3.4946 3.4980 4.0977 4.0978 4.1835 4.1898 4.8060 4.8088 5.4323 5.4325 6.0746 6.0800 6.5096 6.5106 7.1891 7.1911 7.7084 7.7139 k = 0.1143-0.0000 0.3278 ( 5744 PWs) bands (ev): -37.4938 -37.4938 -37.4662 -37.4662 -18.8028 -18.7985 -18.6953 -18.6945 -18.4641 -18.4587 -18.3570 -18.3411 -18.2758 -18.2718 -18.2676 -18.2568 -10.8600 -10.8589 -10.7383 -10.7382 -8.2874 -8.2872 -8.1475 -8.1475 0.1495 0.1595 0.1800 0.1919 0.5067 0.5082 0.5547 0.5617 0.7975 0.7999 0.9316 0.9392 2.6043 2.6054 3.0510 3.0523 3.4883 3.4920 4.0860 4.0860 4.1882 4.1951 4.7979 4.8011 5.4254 5.4256 6.0478 6.0538 6.5031 6.5041 7.1805 7.1821 7.7404 7.7462 k = 0.1286-0.0000 0.3278 ( 5744 PWs) bands (ev): -37.4936 -37.4936 -37.4664 -37.4664 -18.8023 -18.7975 -18.6965 -18.6956 -18.4640 -18.4581 -18.3590 -18.3414 -18.2764 -18.2717 -18.2681 -18.2564 -10.8565 -10.8553 -10.7366 -10.7365 -8.2873 -8.2871 -8.1500 -8.1500 0.1323 0.1396 0.1838 0.1932 0.5130 0.5164 0.5651 0.5713 0.7826 0.7844 0.9254 0.9332 2.6374 2.6387 3.0585 3.0599 3.4820 3.4859 4.0731 4.0732 4.1934 4.2009 4.7889 4.7927 5.4175 5.4178 6.0194 6.0262 6.4967 6.4977 7.1716 7.1730 7.7727 7.7788 k = 0.1429-0.0000 0.3278 ( 5744 PWs) bands (ev): -37.4933 -37.4933 -37.4667 -37.4667 -18.8016 -18.7964 -18.6977 -18.6968 -18.4637 -18.4575 -18.3610 -18.3420 -18.2771 -18.2716 -18.2686 -18.2561 -10.8527 -10.8514 -10.7348 -10.7347 -8.2872 -8.2870 -8.1527 -8.1527 0.1127 0.1186 0.1899 0.1980 0.5174 0.5229 0.5765 0.5819 0.7660 0.7669 0.9194 0.9272 2.6729 2.6743 3.0663 3.0679 3.4758 3.4800 4.0594 4.0596 4.1992 4.2071 4.7792 4.7834 5.4087 5.4090 5.9899 5.9975 6.4907 6.4916 7.1625 7.1635 7.8045 7.8109 k = 0.1571-0.0000 0.3278 ( 5734 PWs) bands (ev): -37.4929 -37.4929 -37.4669 -37.4669 -18.8008 -18.7952 -18.6991 -18.6982 -18.4634 -18.4569 -18.3632 -18.3428 -18.2777 -18.2715 -18.2690 -18.2558 -10.8485 -10.8471 -10.7329 -10.7327 -8.2871 -8.2868 -8.1557 -8.1557 0.0928 0.0980 0.1970 0.2046 0.5203 0.5282 0.5885 0.5928 0.7476 0.7478 0.9134 0.9212 2.7104 2.7119 3.0746 3.0763 3.4701 3.4745 4.0450 4.0453 4.2055 4.2138 4.7688 4.7735 5.3990 5.3994 5.9598 5.9680 6.4852 6.4861 7.1532 7.1537 7.8351 7.8418 k = 0.1714-0.0000 0.3278 ( 5750 PWs) bands (ev): -37.4926 -37.4926 -37.4672 -37.4672 -18.8000 -18.7941 -18.7006 -18.6997 -18.4630 -18.4562 -18.3654 -18.3440 -18.2783 -18.2714 -18.2694 -18.2557 -10.8441 -10.8425 -10.7308 -10.7307 -8.2869 -8.2866 -8.1589 -8.1589 0.0734 0.0782 0.2048 0.2123 0.5222 0.5325 0.6003 0.6035 0.7269 0.7285 0.9076 0.9151 2.7492 2.7509 3.0831 3.0849 3.4651 3.4698 4.0301 4.0306 4.2123 4.2209 4.7579 4.7631 5.3885 5.3891 5.9292 5.9381 6.4804 6.4812 7.1434 7.1435 7.8638 7.8709 k = 0.1857-0.0000 0.3278 ( 5746 PWs) bands (ev): -37.4922 -37.4922 -37.4676 -37.4676 -18.7990 -18.7928 -18.7022 -18.7012 -18.4624 -18.4556 -18.3677 -18.3453 -18.2788 -18.2712 -18.2698 -18.2555 -10.8393 -10.8377 -10.7288 -10.7287 -8.2867 -8.2864 -8.1623 -8.1623 0.0548 0.0596 0.2133 0.2208 0.5229 0.5362 0.6116 0.6133 0.7054 0.7085 0.9020 0.9090 2.7889 2.7907 3.0918 3.0937 3.4612 3.4660 4.0149 4.0155 4.2195 4.2285 4.7464 4.7521 5.3774 5.3781 5.8985 5.9080 6.4765 6.4772 7.1327 7.1331 7.8901 7.8977 k = 0.2000-0.0000 0.3278 ( 5750 PWs) bands (ev): -37.4918 -37.4918 -37.4679 -37.4679 -18.7980 -18.7914 -18.7039 -18.7030 -18.4617 -18.4548 -18.3701 -18.3469 -18.2793 -18.2710 -18.2701 -18.2554 -10.8343 -10.8326 -10.7267 -10.7266 -8.2864 -8.2861 -8.1659 -8.1659 0.0375 0.0422 0.2222 0.2299 0.5224 0.5393 0.6207 0.6219 0.6847 0.6885 0.8964 0.9030 2.8289 2.8309 3.1006 3.1026 3.4586 3.4636 3.9995 4.0003 4.2272 4.2363 4.7345 4.7407 5.3657 5.3666 5.8680 5.8781 6.4738 6.4743 7.1212 7.1221 7.9131 7.9216 k = 0.2143-0.0000 0.3278 ( 5762 PWs) bands (ev): -37.4914 -37.4914 -37.4683 -37.4683 -18.7968 -18.7901 -18.7057 -18.7048 -18.4610 -18.4541 -18.3725 -18.3488 -18.2797 -18.2708 -18.2704 -18.2553 -10.8291 -10.8273 -10.7245 -10.7245 -8.2861 -8.2857 -8.1697 -8.1697 0.0214 0.0262 0.2317 0.2396 0.5202 0.5418 0.6210 0.6295 0.6694 0.6709 0.8909 0.8969 2.8686 2.8708 3.1094 3.1115 3.4577 3.4629 3.9841 3.9851 4.2352 4.2445 4.7223 4.7289 5.3537 5.3547 5.8377 5.8484 6.4722 6.4726 7.1089 7.1102 7.9303 7.9346 k = 0.2286-0.0000 0.3278 ( 5760 PWs) bands (ev): -37.4909 -37.4909 -37.4687 -37.4687 -18.7956 -18.7886 -18.7076 -18.7067 -18.4600 -18.4533 -18.3750 -18.3509 -18.2800 -18.2707 -18.2706 -18.2553 -10.8237 -10.8218 -10.7225 -10.7225 -8.2856 -8.2853 -8.1737 -8.1737 0.0068 0.0117 0.2416 0.2498 0.5158 0.5438 0.6077 0.6287 0.6620 0.6663 0.8854 0.8909 2.9074 2.9098 3.1181 3.1202 3.4589 3.4642 3.9689 3.9700 4.2437 4.2531 4.7099 4.7168 5.3415 5.3427 5.8079 5.8191 6.4720 6.4721 7.0956 7.0974 7.9408 7.9427 k = 0.2429-0.0000 0.3278 ( 5750 PWs) bands (ev): -37.4904 -37.4904 -37.4691 -37.4691 -18.7942 -18.7870 -18.7095 -18.7087 -18.4590 -18.4525 -18.3776 -18.3532 -18.2802 -18.2709 -18.2703 -18.2553 -10.8181 -10.8161 -10.7205 -10.7204 -8.2852 -8.2849 -8.1778 -8.1778 -0.0062 -0.0012 0.2519 0.2604 0.5082 0.5452 0.5849 0.6170 0.6653 0.6714 0.8800 0.8848 2.9445 2.9472 3.1267 3.1289 3.4625 3.4680 3.9540 3.9552 4.2526 4.2620 4.6972 4.7045 5.3294 5.3307 5.7787 5.7903 6.4732 6.4732 7.0813 7.0835 7.9473 7.9479 k = 0.2571-0.0000 0.3278 ( 5748 PWs) bands (ev): -37.4899 -37.4899 -37.4695 -37.4695 -18.7927 -18.7855 -18.7115 -18.7108 -18.4578 -18.4516 -18.3802 -18.3557 -18.2803 -18.2712 -18.2700 -18.2554 -10.8123 -10.8103 -10.7186 -10.7185 -8.2846 -8.2843 -8.1821 -8.1820 -0.0175 -0.0123 0.2625 0.2715 0.4966 0.5459 0.5584 0.6033 0.6730 0.6790 0.8747 0.8788 2.9795 2.9823 3.1350 3.1372 3.4688 3.4744 3.9395 3.9409 4.2619 4.2712 4.6844 4.6920 5.3176 5.3191 5.7501 5.7621 6.4755 6.4758 7.0657 7.0684 7.9505 7.9508 k = 0.2714-0.0000 0.3278 ( 5748 PWs) bands (ev): -37.4894 -37.4894 -37.4700 -37.4700 -18.7912 -18.7838 -18.7136 -18.7130 -18.4564 -18.4506 -18.3828 -18.3585 -18.2804 -18.2715 -18.2696 -18.2555 -10.8065 -10.8044 -10.7169 -10.7167 -8.2839 -8.2836 -8.1864 -8.1864 -0.0271 -0.0217 0.2735 0.2828 0.4805 0.5297 0.5466 0.5917 0.6815 0.6874 0.8695 0.8727 3.0116 3.0147 3.1430 3.1454 3.4781 3.4838 3.9255 3.9270 4.2715 4.2807 4.6715 4.6794 5.3063 5.3080 5.7222 5.7345 6.4793 6.4798 7.0487 7.0519 7.9503 7.9515 k = 0.2857-0.0000 0.3278 ( 5736 PWs) bands (ev): -37.4888 -37.4888 -37.4704 -37.4704 -18.7895 -18.7822 -18.7158 -18.7153 -18.4549 -18.4496 -18.3855 -18.3614 -18.2803 -18.2717 -18.2692 -18.2556 -10.8005 -10.7985 -10.7153 -10.7150 -8.2832 -8.2829 -8.1908 -8.1908 -0.0349 -0.0292 0.2847 0.2945 0.4604 0.5007 0.5461 0.5826 0.6900 0.6958 0.8643 0.8668 3.0406 3.0439 3.1507 3.1531 3.4905 3.4963 3.9122 3.9137 4.2815 4.2905 4.6586 4.6667 5.2958 5.2978 5.6950 5.7075 6.4844 6.4853 7.0305 7.0340 7.9475 7.9495 k = 0.3000-0.0000 0.3278 ( 5748 PWs) bands (ev): -37.4883 -37.4883 -37.4709 -37.4709 -18.7878 -18.7804 -18.7180 -18.7177 -18.4533 -18.4486 -18.3883 -18.3645 -18.2803 -18.2719 -18.2688 -18.2558 -10.7946 -10.7925 -10.7138 -10.7135 -8.2823 -8.2820 -8.1953 -8.1953 -0.0407 -0.0348 0.2961 0.3064 0.4371 0.4710 0.5450 0.5754 0.6983 0.7041 0.8592 0.8608 3.0660 3.0695 3.1581 3.1605 3.5059 3.5118 3.8995 3.9011 4.2918 4.3006 4.6456 4.6538 5.2863 5.2886 5.6685 5.6812 6.4909 6.4921 7.0108 7.0147 7.9423 7.9452 k = 0.3143-0.0000 0.3278 ( 5744 PWs) bands (ev): -37.4877 -37.4877 -37.4715 -37.4715 -18.7860 -18.7787 -18.7202 -18.7201 -18.4515 -18.4474 -18.3910 -18.3678 -18.2801 -18.2722 -18.2684 -18.2560 -10.7886 -10.7865 -10.7126 -10.7122 -8.2813 -8.2810 -8.1999 -8.1998 -0.0447 -0.0385 0.3076 0.3185 0.4118 0.4411 0.5433 0.5695 0.7064 0.7121 0.8541 0.8550 3.0880 3.0916 3.1649 3.1675 3.5241 3.5299 3.8875 3.8891 4.3025 4.3110 4.6326 4.6409 5.2782 5.2808 5.6427 5.6555 6.4988 6.5002 6.9898 6.9941 7.9351 7.9388 k = 0.3286-0.0000 0.3278 ( 5742 PWs) bands (ev): -37.4871 -37.4871 -37.4720 -37.4720 -18.7841 -18.7768 -18.7226 -18.7225 -18.4496 -18.4462 -18.3937 -18.3712 -18.2799 -18.2724 -18.2679 -18.2562 -10.7827 -10.7805 -10.7116 -10.7111 -8.2801 -8.2799 -8.2044 -8.2044 -0.0467 -0.0403 0.3190 0.3306 0.3852 0.4112 0.5408 0.5642 0.7141 0.7198 0.8492 0.8492 3.1066 3.1103 3.1713 3.1740 3.5446 3.5503 3.8762 3.8779 4.3136 4.3216 4.6197 4.6280 5.2717 5.2746 5.6175 5.6304 6.5079 6.5096 6.9676 6.9723 7.9265 7.9309 k = 0.3429-0.0000 0.3278 ( 5730 PWs) bands (ev): -37.4865 -37.4865 -37.4725 -37.4725 -18.7820 -18.7749 -18.7251 -18.7249 -18.4474 -18.4449 -18.3965 -18.3747 -18.2796 -18.2726 -18.2674 -18.2565 -10.7768 -10.7746 -10.7109 -10.7103 -8.2789 -8.2786 -8.2090 -8.2089 -0.0468 -0.0400 0.3299 0.3416 0.3591 0.3821 0.5376 0.5590 0.7215 0.7273 0.8435 0.8444 3.1222 3.1260 3.1771 3.1799 3.5667 3.5723 3.8657 3.8673 4.3249 4.3324 4.6067 4.6150 5.2670 5.2703 5.5929 5.6058 6.5182 6.5202 6.9444 6.9494 7.9170 7.9222 k = 0.3571-0.0000 0.3278 ( 5724 PWs) bands (ev): -37.4859 -37.4859 -37.4731 -37.4731 -18.7799 -18.7730 -18.7278 -18.7272 -18.4452 -18.4435 -18.3992 -18.3782 -18.2794 -18.2729 -18.2669 -18.2568 -10.7710 -10.7688 -10.7104 -10.7098 -8.2774 -8.2772 -8.2135 -8.2135 -0.0448 -0.0378 0.3280 0.3357 0.3571 0.3583 0.5336 0.5536 0.7285 0.7345 0.8380 0.8396 3.1353 3.1390 3.1823 3.1851 3.5898 3.5951 3.8559 3.8575 4.3366 4.3435 4.5938 4.6019 5.2642 5.2679 5.5689 5.5817 6.5296 6.5319 6.9204 6.9256 7.9073 7.9131 k = 0.3714-0.0000 0.3278 ( 5724 PWs) bands (ev): -37.4853 -37.4853 -37.4737 -37.4737 -18.7778 -18.7710 -18.7304 -18.7296 -18.4428 -18.4421 -18.4020 -18.3819 -18.2791 -18.2732 -18.2664 -18.2571 -10.7653 -10.7632 -10.7103 -10.7095 -8.2759 -8.2757 -8.2180 -8.2180 -0.0410 -0.0337 0.3006 0.3169 0.3594 0.3690 0.5289 0.5479 0.7353 0.7413 0.8325 0.8349 3.1463 3.1500 3.1867 3.1897 3.6131 3.6182 3.8468 3.8483 4.3486 4.3548 4.5808 4.5887 5.2636 5.2677 5.5454 5.5580 6.5420 6.5446 6.8959 6.9012 7.8980 7.9044 k = 0.3857-0.0000 0.3278 ( 5724 PWs) bands (ev): -37.4846 -37.4846 -37.4743 -37.4743 -18.7755 -18.7690 -18.7331 -18.7320 -18.4405 -18.4402 -18.4047 -18.3856 -18.2787 -18.2734 -18.2658 -18.2575 -10.7598 -10.7577 -10.7104 -10.7096 -8.2741 -8.2739 -8.2224 -8.2224 -0.0352 -0.0275 0.2729 0.2891 0.3699 0.3813 0.5236 0.5418 0.7417 0.7479 0.8271 0.8302 3.1555 3.1592 3.1905 3.1936 3.6361 3.6408 3.8382 3.8396 4.3609 4.3663 4.5679 4.5755 5.2652 5.2698 5.5224 5.5348 6.5552 6.5582 6.8710 6.8765 7.8896 7.8965 k = 0.4000-0.0000 0.3278 ( 5722 PWs) bands (ev): -37.4840 -37.4840 -37.4749 -37.4749 -18.7732 -18.7669 -18.7359 -18.7345 -18.4389 -18.4375 -18.4074 -18.3894 -18.2784 -18.2737 -18.2653 -18.2579 -10.7545 -10.7524 -10.7109 -10.7100 -8.2722 -8.2720 -8.2267 -8.2267 -0.0275 -0.0195 0.2454 0.2609 0.3813 0.3936 0.5175 0.5352 0.7480 0.7543 0.8218 0.8256 3.1633 3.1670 3.1935 3.1968 3.6583 3.6626 3.8301 3.8313 4.3735 4.3780 4.5550 4.5622 5.2692 5.2742 5.4998 5.5118 6.5694 6.5726 6.8462 6.8517 7.8826 7.8899 k = 0.4143-0.0000 0.3278 ( 5718 PWs) bands (ev): -37.4833 -37.4833 -37.4755 -37.4755 -18.7708 -18.7648 -18.7386 -18.7369 -18.4371 -18.4347 -18.4101 -18.3931 -18.2781 -18.2740 -18.2647 -18.2583 -10.7493 -10.7473 -10.7118 -10.7107 -8.2701 -8.2700 -8.2310 -8.2310 -0.0179 -0.0096 0.2185 0.2332 0.3929 0.4058 0.5108 0.5281 0.7539 0.7604 0.8166 0.8210 3.1701 3.1737 3.1958 3.1991 3.6792 3.6831 3.8224 3.8233 4.3863 4.3899 4.5421 4.5488 5.2754 5.2810 5.4775 5.4893 6.5843 6.5878 6.8216 6.8271 7.8776 7.8852 k = 0.4286-0.0000 0.3278 ( 5730 PWs) bands (ev): -37.4827 -37.4827 -37.4761 -37.4761 -18.7683 -18.7626 -18.7414 -18.7393 -18.4353 -18.4317 -18.4127 -18.3969 -18.2777 -18.2743 -18.2642 -18.2588 -10.7445 -10.7425 -10.7130 -10.7118 -8.2678 -8.2677 -8.2351 -8.2351 -0.0065 0.0022 0.1922 0.2062 0.4044 0.4179 0.5035 0.5204 0.7597 0.7662 0.8115 0.8164 3.1759 3.1796 3.1974 3.2008 3.6986 3.7021 3.8148 3.8155 4.3994 4.4020 4.5291 4.5353 5.2839 5.2900 5.4557 5.4670 6.5998 6.6036 6.7974 6.8030 7.8747 7.8826 k = 0.4429-0.0000 0.3278 ( 5730 PWs) bands (ev): -37.4820 -37.4820 -37.4767 -37.4767 -18.7658 -18.7604 -18.7442 -18.7418 -18.4334 -18.4287 -18.4153 -18.4007 -18.2774 -18.2746 -18.2636 -18.2593 -10.7398 -10.7379 -10.7145 -10.7133 -8.2654 -8.2653 -8.2391 -8.2391 0.0066 0.0158 0.1667 0.1800 0.4158 0.4297 0.4955 0.5122 0.7653 0.7719 0.8064 0.8118 3.1809 3.1846 3.1982 3.2017 3.7164 3.7194 3.8072 3.8076 4.4126 4.4142 4.5162 4.5218 5.2946 5.3012 5.4343 5.4452 6.6161 6.6202 6.7740 6.7794 7.8742 7.8822 k = 0.4571-0.0000 0.3278 ( 5734 PWs) bands (ev): -37.4814 -37.4814 -37.4774 -37.4774 -18.7632 -18.7582 -18.7470 -18.7442 -18.4314 -18.4255 -18.4178 -18.4044 -18.2770 -18.2749 -18.2630 -18.2598 -10.7355 -10.7337 -10.7165 -10.7151 -8.2627 -8.2626 -8.2430 -8.2430 0.0215 0.0310 0.1422 0.1549 0.4270 0.4414 0.4871 0.5035 0.7707 0.7774 0.8014 0.8072 3.1853 3.1889 3.1983 3.2018 3.7325 3.7349 3.7994 3.7995 4.4261 4.4266 4.5033 4.5081 5.3072 5.3144 5.4134 5.4238 6.6331 6.6374 6.7513 6.7566 7.8762 7.8843 k = 0.4714-0.0000 0.3278 ( 5722 PWs) bands (ev): -37.4807 -37.4807 -37.4780 -37.4780 -18.7606 -18.7559 -18.7497 -18.7466 -18.4293 -18.4221 -18.4203 -18.4081 -18.2766 -18.2752 -18.2625 -18.2602 -10.7315 -10.7297 -10.7188 -10.7173 -8.2599 -8.2598 -8.2467 -8.2467 0.0380 0.0480 0.1188 0.1308 0.4379 0.4527 0.4781 0.4942 0.7760 0.7827 0.7964 0.8025 3.1890 3.1927 3.1977 3.2013 3.7469 3.7489 3.7908 3.7911 4.4392 4.4396 4.4904 4.4945 5.3217 5.3294 5.3931 5.4031 6.6508 6.6553 6.7294 6.7347 7.8806 7.8886 k = 0.4857-0.0000 0.3278 ( 5730 PWs) bands (ev): -37.4800 -37.4800 -37.4787 -37.4787 -18.7579 -18.7536 -18.7525 -18.7490 -18.4272 -18.4227 -18.4188 -18.4117 -18.2763 -18.2756 -18.2619 -18.2608 -10.7278 -10.7261 -10.7214 -10.7199 -8.2569 -8.2568 -8.2503 -8.2502 0.0561 0.0665 0.0966 0.1080 0.4485 0.4637 0.4686 0.4845 0.7812 0.7878 0.7914 0.7977 3.1921 3.1958 3.1965 3.2001 3.7597 3.7613 3.7815 3.7822 4.4519 4.4533 4.4775 4.4807 5.3377 5.3460 5.3736 5.3830 6.6692 6.6739 6.7085 6.7136 7.8872 7.8955 k = 0.5000-0.0000 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7244 -10.7244 -10.7228 -10.7228 -8.2537 -8.2537 -8.2536 -8.2536 0.0756 0.0756 0.0866 0.0866 0.4588 0.4588 0.4743 0.4743 0.7863 0.7863 0.7928 0.7928 3.1946 3.1946 3.1982 3.1982 3.7712 3.7712 3.7723 3.7723 4.4646 4.4646 4.4670 4.4670 5.3551 5.3551 5.3640 5.3640 6.6884 6.6884 6.6933 6.6933 7.8956 7.8957 k = 0.5000-0.0000 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7244 -10.7244 -10.7228 -10.7228 -8.2537 -8.2537 -8.2536 -8.2536 0.0756 0.0756 0.0866 0.0866 0.4588 0.4588 0.4743 0.4743 0.7863 0.7863 0.7928 0.7928 3.1946 3.1946 3.1982 3.1982 3.7712 3.7712 3.7723 3.7723 4.4646 4.4646 4.4670 4.4670 5.3551 5.3551 5.3640 5.3640 6.6884 6.6884 6.6933 6.6933 7.8956 7.8956 k = 0.5000 0.0141 0.3278 ( 5724 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7557 -18.7548 -18.7515 -18.7512 -18.4271 -18.4227 -18.4156 -18.4149 -18.2764 -18.2754 -18.2631 -18.2596 -10.7243 -10.7241 -10.7226 -10.7225 -8.2541 -8.2541 -8.2540 -8.2540 0.0728 0.0744 0.0824 0.0862 0.4615 0.4631 0.4771 0.4781 0.7838 0.7881 0.7905 0.7943 3.1941 3.1965 3.1970 3.2008 3.7680 3.7683 3.7702 3.7720 4.4637 4.4660 4.4687 4.4712 5.3560 5.3561 5.3647 5.3650 6.6876 6.6878 6.6925 6.6927 7.8955 7.8966 k = 0.5000 0.0282 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7563 -18.7545 -18.7518 -18.7512 -18.4291 -18.4204 -18.4159 -18.4145 -18.2769 -18.2748 -18.2649 -18.2578 -10.7237 -10.7234 -10.7220 -10.7218 -8.2555 -8.2554 -8.2554 -8.2553 0.0661 0.0692 0.0741 0.0815 0.4713 0.4739 0.4862 0.4885 0.7806 0.7876 0.7892 0.7952 3.1950 3.1971 3.1998 3.2046 3.7602 3.7608 3.7650 3.7675 4.4660 4.4681 4.4758 4.4784 5.3588 5.3590 5.3673 5.3680 6.6852 6.6857 6.6901 6.6906 7.8951 7.8956 k = 0.5000 0.0423 0.3278 ( 5728 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7570 -18.7543 -18.7522 -18.7513 -18.4310 -18.4180 -18.4161 -18.4141 -18.2772 -18.2741 -18.2668 -18.2561 -10.7226 -10.7223 -10.7210 -10.7207 -8.2576 -8.2576 -8.2576 -8.2575 0.0564 0.0608 0.0627 0.0732 0.4872 0.4902 0.5006 0.5048 0.7765 0.7839 0.7899 0.7956 3.1972 3.1986 3.2044 3.2098 3.7485 3.7501 3.7559 3.7589 4.4711 4.4732 4.4855 4.4882 5.3635 5.3637 5.3718 5.3728 6.6815 6.6822 6.6862 6.6871 7.8945 7.8950 k = 0.5000 0.0564 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7577 -18.7542 -18.7527 -18.7516 -18.4328 -18.4164 -18.4155 -18.4135 -18.2776 -18.2733 -18.2686 -18.2545 -10.7212 -10.7208 -10.7196 -10.7192 -8.2607 -8.2606 -8.2606 -8.2605 0.0446 0.0491 0.0499 0.0622 0.5081 0.5107 0.5190 0.5259 0.7718 0.7795 0.7904 0.7957 3.2009 3.2014 3.2104 3.2164 3.7336 3.7362 3.7433 3.7468 4.4786 4.4807 4.4972 4.5000 5.3701 5.3704 5.3781 5.3794 6.6764 6.6773 6.6810 6.6821 7.8938 7.8946 k = 0.5000 0.0705 0.3278 ( 5736 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7585 -18.7542 -18.7533 -18.7519 -18.4344 -18.4166 -18.4130 -18.4129 -18.2779 -18.2725 -18.2704 -18.2529 -10.7194 -10.7188 -10.7178 -10.7172 -8.2645 -8.2645 -8.2645 -8.2644 0.0314 0.0344 0.0375 0.0495 0.5327 0.5338 0.5400 0.5508 0.7665 0.7749 0.7913 0.7960 3.2055 3.2060 3.2179 3.2244 3.7161 3.7199 3.7277 3.7317 4.4879 4.4901 4.5104 4.5133 5.3786 5.3790 5.3862 5.3879 6.6699 6.6710 6.6743 6.6757 7.8928 7.8936 k = 0.5000 0.0846 0.3278 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7593 -18.7543 -18.7539 -18.7523 -18.4359 -18.4168 -18.4123 -18.4104 -18.2782 -18.2722 -18.2717 -18.2513 -10.7171 -10.7165 -10.7156 -10.7149 -8.2692 -8.2691 -8.2691 -8.2690 0.0178 0.0192 0.0243 0.0360 0.5580 0.5596 0.5621 0.5781 0.7610 0.7702 0.7930 0.7970 3.2111 3.2127 3.2269 3.2339 3.6967 3.7017 3.7098 3.7141 4.4984 4.5007 4.5244 4.5273 5.3890 5.3894 5.3961 5.3983 6.6621 6.6634 6.6663 6.6679 7.8917 7.8925 k = 0.5000 0.0988 0.3278 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7602 -18.7546 -18.7545 -18.7529 -18.4372 -18.4171 -18.4115 -18.4078 -18.2785 -18.2740 -18.2707 -18.2498 -10.7145 -10.7137 -10.7130 -10.7122 -8.2745 -8.2745 -8.2744 -8.2743 0.0042 0.0043 0.0111 0.0225 0.5817 0.5835 0.5871 0.6064 0.7562 0.7664 0.7967 0.7996 3.2181 3.2210 3.2374 3.2449 3.6759 3.6823 3.6901 3.6948 4.5095 4.5119 4.5387 4.5414 5.4012 5.4016 5.4077 5.4103 6.6532 6.6546 6.6570 6.6590 7.8928 7.8969 k = 0.5000 0.1129 0.3278 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7612 -18.7554 -18.7547 -18.7535 -18.4384 -18.4173 -18.4107 -18.4051 -18.2788 -18.2758 -18.2697 -18.2484 -10.7116 -10.7107 -10.7100 -10.7092 -8.2806 -8.2805 -8.2804 -8.2804 -0.0099 -0.0088 -0.0017 0.0094 0.6022 0.6030 0.6130 0.6331 0.7536 0.7650 0.8035 0.8050 3.2266 3.2309 3.2495 3.2575 3.6542 3.6622 3.6693 3.6743 4.5205 4.5229 4.5525 4.5551 5.4151 5.4156 5.4211 5.4242 6.6431 6.6446 6.6466 6.6488 7.8889 7.8896 k = 0.5000 0.1270 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7621 -18.7562 -18.7551 -18.7542 -18.4394 -18.4175 -18.4098 -18.4025 -18.2790 -18.2775 -18.2686 -18.2470 -10.7083 -10.7073 -10.7068 -10.7058 -8.2872 -8.2872 -8.2871 -8.2870 -0.0231 -0.0208 -0.0137 -0.0028 0.6165 0.6200 0.6339 0.6542 0.7569 0.7686 0.8147 0.8148 3.2366 3.2425 3.2632 3.2717 3.6322 3.6420 3.6477 3.6531 4.5309 4.5334 4.5653 4.5678 5.4308 5.4312 5.4360 5.4397 6.6319 6.6335 6.6351 6.6376 7.8871 7.8877 k = 0.5000 0.1411 0.3278 ( 5736 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7631 -18.7571 -18.7555 -18.7550 -18.4403 -18.4178 -18.4088 -18.3999 -18.2793 -18.2792 -18.2674 -18.2457 -10.7047 -10.7036 -10.7033 -10.7022 -8.2944 -8.2944 -8.2943 -8.2942 -0.0350 -0.0316 -0.0246 -0.0138 0.6252 0.6311 0.6465 0.6648 0.7705 0.7803 0.8297 0.8312 3.2480 3.2560 3.2785 3.2876 3.6103 3.6221 3.6260 3.6318 4.5401 4.5427 4.5768 4.5791 5.4481 5.4486 5.4526 5.4568 6.6198 6.6215 6.6226 6.6253 7.8851 7.8865 k = 0.5000 0.1552 0.3278 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7641 -18.7580 -18.7560 -18.7558 -18.4411 -18.4182 -18.4078 -18.3974 -18.2808 -18.2795 -18.2662 -18.2444 -10.7009 -10.6997 -10.6995 -10.6983 -8.3021 -8.3021 -8.3020 -8.3019 -0.0454 -0.0409 -0.0342 -0.0234 0.6279 0.6360 0.6494 0.6644 0.7946 0.8010 0.8500 0.8527 3.2610 3.2713 3.2955 3.3052 3.5887 3.6031 3.6045 3.6109 4.5477 4.5504 4.5865 4.5885 5.4670 5.4674 5.4706 5.4754 6.6068 6.6085 6.6092 6.6122 7.8826 7.8829 k = 0.5000 0.1693 0.3278 ( 5760 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7651 -18.7589 -18.7568 -18.7567 -18.4417 -18.4186 -18.4067 -18.3950 -18.2824 -18.2798 -18.2650 -18.2433 -10.6969 -10.6956 -10.6955 -10.6942 -8.3103 -8.3102 -8.3101 -8.3100 -0.0543 -0.0488 -0.0424 -0.0315 0.6255 0.6352 0.6446 0.6568 0.8247 0.8282 0.8748 0.8781 3.2753 3.2886 3.3140 3.3244 3.5679 3.5837 3.5853 3.5907 4.5534 4.5561 4.5941 4.5958 5.4873 5.4876 5.4900 5.4954 6.5930 6.5948 6.5950 6.5982 7.8797 7.8797 k = 0.5000 0.1834 0.3278 ( 5748 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7661 -18.7598 -18.7577 -18.7573 -18.4421 -18.4189 -18.4055 -18.3925 -18.2839 -18.2800 -18.2637 -18.2422 -10.6926 -10.6913 -10.6912 -10.6899 -8.3187 -8.3186 -8.3185 -8.3185 -0.0615 -0.0549 -0.0490 -0.0380 0.6190 0.6299 0.6348 0.6453 0.8577 0.8592 0.9025 0.9061 3.2907 3.3077 3.3339 3.3452 3.5482 3.5641 3.5694 3.5719 4.5568 4.5596 4.5991 4.6006 5.5089 5.5092 5.5107 5.5166 6.5786 6.5801 6.5804 6.5836 7.8761 7.8763 k = 0.5000 0.1975 0.3278 ( 5756 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7670 -18.7607 -18.7588 -18.7580 -18.4424 -18.4194 -18.4042 -18.3903 -18.2853 -18.2804 -18.2623 -18.2413 -10.6883 -10.6870 -10.6868 -10.6855 -8.3274 -8.3273 -8.3272 -8.3271 -0.0670 -0.0594 -0.0541 -0.0428 0.6092 0.6211 0.6218 0.6313 0.8915 0.8917 0.9319 0.9356 3.3068 3.3285 3.3547 3.3671 3.5301 3.5463 3.5551 3.5560 4.5577 4.5605 4.6015 4.6027 5.5317 5.5318 5.5326 5.5390 6.5637 6.5646 6.5655 6.5685 7.8719 7.8723 k = 0.5000 0.2116 0.3278 ( 5752 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7680 -18.7616 -18.7598 -18.7587 -18.4426 -18.4199 -18.4029 -18.3881 -18.2866 -18.2807 -18.2609 -18.2404 -10.6838 -10.6826 -10.6822 -10.6810 -8.3362 -8.3362 -8.3360 -8.3360 -0.0708 -0.0622 -0.0576 -0.0459 0.5968 0.6065 0.6096 0.6156 0.9247 0.9253 0.9620 0.9655 3.3229 3.3506 3.3756 3.3893 3.5140 3.5313 3.5414 3.5460 4.5559 4.5587 4.6010 4.6020 5.5554 5.5554 5.5554 5.5623 6.5484 6.5487 6.5501 6.5529 7.8680 7.8694 k = 0.5000 0.2257 0.3278 ( 5748 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7689 -18.7625 -18.7609 -18.7595 -18.4426 -18.4204 -18.4015 -18.3861 -18.2878 -18.2810 -18.2595 -18.2396 -10.6793 -10.6781 -10.6776 -10.6764 -8.3451 -8.3451 -8.3449 -8.3449 -0.0730 -0.0633 -0.0594 -0.0473 0.5825 0.5896 0.5962 0.5988 0.9573 0.9585 0.9919 0.9953 3.3381 3.3731 3.3946 3.4098 3.5012 3.5214 3.5329 3.5406 4.5511 4.5540 4.5973 4.5981 5.5790 5.5798 5.5800 5.5863 6.5325 6.5328 6.5345 6.5371 7.8609 7.8619 k = 0.5000 0.2398 0.3278 ( 5748 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7697 -18.7634 -18.7620 -18.7603 -18.4425 -18.4210 -18.4001 -18.3842 -18.2889 -18.2814 -18.2580 -18.2389 -10.6747 -10.6736 -10.6730 -10.6719 -8.3540 -8.3539 -8.3538 -8.3537 -0.0735 -0.0627 -0.0598 -0.0471 0.5666 0.5714 0.5809 0.5811 0.9890 0.9905 1.0212 1.0243 3.3510 3.3935 3.4088 3.4244 3.4941 3.5207 3.5327 3.5410 4.5434 4.5463 4.5905 4.5912 5.6032 5.6047 5.6051 5.6108 6.5161 6.5170 6.5188 6.5211 7.8546 7.8557 k = 0.5000 0.2539 0.3278 ( 5744 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7705 -18.7642 -18.7631 -18.7612 -18.4423 -18.4216 -18.3986 -18.3826 -18.2899 -18.2818 -18.2565 -18.2383 -10.6702 -10.6692 -10.6684 -10.6674 -8.3627 -8.3627 -8.3626 -8.3625 -0.0724 -0.0604 -0.0586 -0.0453 0.5494 0.5523 0.5624 0.5648 1.0195 1.0212 1.0493 1.0522 3.3604 3.4070 3.4151 3.4288 3.4975 3.5337 3.5437 3.5486 4.5325 4.5355 4.5804 4.5810 5.6279 5.6300 5.6306 5.6357 6.4997 6.5011 6.5030 6.5051 7.8466 7.8471 k = 0.5000 0.2681 0.3278 ( 5748 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7713 -18.7650 -18.7642 -18.7620 -18.4421 -18.4223 -18.3971 -18.3811 -18.2907 -18.2822 -18.2551 -18.2378 -10.6658 -10.6648 -10.6639 -10.6629 -8.3713 -8.3712 -8.3711 -8.3711 -0.0699 -0.0567 -0.0561 -0.0420 0.5313 0.5325 0.5434 0.5476 1.0484 1.0503 1.0759 1.0786 3.3656 3.4102 3.4140 3.4247 3.5147 3.5584 3.5639 3.5654 4.5185 4.5216 4.5670 4.5675 5.6527 5.6553 5.6563 5.6607 6.4834 6.4854 6.4874 6.4893 7.8367 7.8388 k = 0.5000 0.2822 0.3278 ( 5752 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7720 -18.7658 -18.7653 -18.7628 -18.4417 -18.4230 -18.3956 -18.3798 -18.2913 -18.2827 -18.2536 -18.2374 -10.6615 -10.6606 -10.6596 -10.6587 -8.3796 -8.3795 -8.3794 -8.3793 -0.0660 -0.0523 -0.0515 -0.0374 0.5123 0.5125 0.5242 0.5298 1.0756 1.0775 1.1008 1.1033 3.3672 3.4063 3.4084 3.4168 3.5426 3.5864 3.5902 3.5950 4.5014 4.5045 4.5502 4.5508 5.6775 5.6805 5.6817 5.6855 6.4674 6.4700 6.4720 6.4737 7.8262 7.8279 k = 0.5000 0.2963 0.3278 ( 5752 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7726 -18.7665 -18.7664 -18.7636 -18.4412 -18.4238 -18.3941 -18.3788 -18.2919 -18.2832 -18.2521 -18.2371 -10.6574 -10.6566 -10.6554 -10.6546 -8.3874 -8.3874 -8.3873 -8.3872 -0.0608 -0.0475 -0.0450 -0.0314 0.4918 0.4932 0.5049 0.5116 1.1009 1.1027 1.1239 1.1261 3.3661 3.3994 3.4007 3.4077 3.5767 3.6148 3.6261 3.6295 4.4812 4.4845 4.5302 4.5309 5.7020 5.7052 5.7068 5.7099 6.4518 6.4549 6.4572 6.4587 7.8148 7.8164 k = 0.5000 0.3104 0.3278 ( 5748 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7731 -18.7674 -18.7671 -18.7644 -18.4406 -18.4246 -18.3925 -18.3779 -18.2922 -18.2838 -18.2507 -18.2369 -10.6536 -10.6528 -10.6514 -10.6507 -8.3948 -8.3948 -8.3947 -8.3946 -0.0547 -0.0417 -0.0374 -0.0245 0.4714 0.4738 0.4859 0.4933 1.1241 1.1259 1.1448 1.1468 3.3635 3.3918 3.3925 3.3986 3.6145 3.6477 3.6648 3.6675 4.4582 4.4616 4.5071 4.5079 5.7258 5.7292 5.7310 5.7335 6.4368 6.4404 6.4430 6.4443 7.8019 7.8032 k = 0.5000 0.3245 0.3278 ( 5740 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7736 -18.7684 -18.7676 -18.7651 -18.4400 -18.4254 -18.3909 -18.3773 -18.2924 -18.2844 -18.2493 -18.2369 -10.6499 -10.6493 -10.6478 -10.6471 -8.4017 -8.4016 -8.4016 -8.4015 -0.0476 -0.0352 -0.0289 -0.0166 0.4513 0.4544 0.4674 0.4752 1.1451 1.1468 1.1636 1.1654 3.3601 3.3843 3.3844 3.3901 3.6548 3.6841 3.7053 3.7076 4.4327 4.4360 4.4811 4.4821 5.7487 5.7521 5.7542 5.7560 6.4227 6.4266 6.4295 6.4307 7.7891 7.7912 k = 0.5000 0.3386 0.3278 ( 5740 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7693 -18.7681 -18.7658 -18.4392 -18.4263 -18.3894 -18.3769 -18.2925 -18.2850 -18.2479 -18.2369 -10.6466 -10.6460 -10.6444 -10.6438 -8.4079 -8.4079 -8.4079 -8.4077 -0.0400 -0.0283 -0.0197 -0.0083 0.4320 0.4356 0.4497 0.4577 1.1639 1.1655 1.1802 1.1817 3.3566 3.3768 3.3776 3.3823 3.6966 3.7228 3.7468 3.7491 4.4048 4.4082 4.4524 4.4537 5.7704 5.7736 5.7759 5.7770 6.4096 6.4136 6.4171 6.4180 7.7765 7.7783 k = 0.5000 0.3527 0.3278 ( 5716 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7742 -18.7702 -18.7684 -18.7665 -18.4384 -18.4272 -18.3878 -18.3767 -18.2924 -18.2856 -18.2466 -18.2370 -10.6437 -10.6432 -10.6414 -10.6409 -8.4135 -8.4134 -8.4134 -8.4133 -0.0321 -0.0213 -0.0101 0.0003 0.4137 0.4176 0.4333 0.4410 1.1805 1.1819 1.1945 1.1957 3.3533 3.3699 3.3716 3.3755 3.7394 3.7630 3.7885 3.7912 4.3754 4.3787 4.4215 4.4232 5.7904 5.7934 5.7958 5.7964 6.3977 6.4017 6.4058 6.4066 7.7636 7.7649 k = 0.5000 0.3668 0.3278 ( 5724 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7744 -18.7710 -18.7687 -18.7671 -18.4376 -18.4281 -18.3864 -18.3768 -18.2922 -18.2863 -18.2454 -18.2373 -10.6411 -10.6407 -10.6388 -10.6384 -8.4183 -8.4182 -8.4182 -8.4181 -0.0242 -0.0146 -0.0005 0.0087 0.3969 0.4008 0.4185 0.4257 1.1947 1.1960 1.2064 1.2074 3.3504 3.3638 3.3665 3.3697 3.7821 3.8037 3.8293 3.8327 4.3451 4.3482 4.3890 4.3911 5.8084 5.8109 5.8134 5.8135 6.3872 6.3910 6.3958 6.3964 7.7522 7.7534 k = 0.5000 0.3809 0.3278 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7745 -18.7718 -18.7690 -18.7676 -18.4368 -18.4291 -18.3849 -18.3771 -18.2919 -18.2870 -18.2442 -18.2377 -10.6390 -10.6386 -10.6367 -10.6363 -8.4223 -8.4223 -8.4222 -8.4221 -0.0167 -0.0085 0.0086 0.0164 0.3822 0.3858 0.4057 0.4120 1.2066 1.2076 1.2160 1.2168 3.3481 3.3585 3.3624 3.3648 3.8240 3.8438 3.8679 3.8724 4.3153 4.3180 4.3557 4.3582 5.8240 5.8260 5.8281 5.8284 6.3783 6.3818 6.3873 6.3878 7.7428 7.7446 k = 0.5000 0.3950 0.3278 ( 5744 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7745 -18.7724 -18.7691 -18.7681 -18.4359 -18.4301 -18.3836 -18.3776 -18.2915 -18.2877 -18.2431 -18.2382 -10.6373 -10.6370 -10.6349 -10.6347 -8.4255 -8.4255 -8.4254 -8.4253 -0.0099 -0.0035 0.0168 0.0230 0.3700 0.3731 0.3954 0.4005 1.2161 1.2170 1.2232 1.2238 3.3465 3.3542 3.3592 3.3610 3.8634 3.8818 3.9020 3.9080 4.2882 4.2901 4.3230 4.3259 5.8367 5.8382 5.8398 5.8403 6.3713 6.3742 6.3805 6.3809 7.7343 7.7356 k = 0.5000 0.4091 0.3278 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7744 -18.7730 -18.7692 -18.7685 -18.4349 -18.4311 -18.3823 -18.3783 -18.2910 -18.2884 -18.2420 -18.2388 -10.6360 -10.6358 -10.6336 -10.6335 -8.4278 -8.4277 -8.4277 -8.4276 -0.0044 0.0001 0.0236 0.0279 0.3611 0.3633 0.3880 0.3916 1.2233 1.2239 1.2281 1.2284 3.3457 3.3508 3.3570 3.3582 3.8984 3.9154 3.9283 3.9365 4.2668 4.2675 4.2930 4.2961 5.8464 5.8473 5.8483 5.8489 6.3664 6.3684 6.3755 6.3758 7.7282 7.7288 k = 0.5000 0.4232 0.3278 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7742 -18.7735 -18.7691 -18.7688 -18.4340 -18.4320 -18.3811 -18.3791 -18.2904 -18.2891 -18.2411 -18.2394 -10.6352 -10.6351 -10.6329 -10.6328 -8.4292 -8.4291 -8.4290 -8.4290 -0.0004 0.0019 0.0283 0.0305 0.3557 0.3569 0.3838 0.3857 1.2281 1.2285 1.2306 1.2307 3.3457 3.3482 3.3558 3.3564 3.9259 3.9413 3.9427 3.9535 4.2544 4.2553 4.2688 4.2718 5.8526 5.8529 5.8535 5.8539 6.3636 6.3646 6.3725 6.3726 7.7242 7.7250 k = 0.5000 0.4374 0.3278 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6349 -10.6349 -10.6326 -10.6326 -8.4296 -8.4296 -8.4295 -8.4295 0.0017 0.0017 0.0307 0.0307 0.3543 0.3543 0.3830 0.3830 1.2306 1.2306 1.2308 1.2308 3.3465 3.3465 3.3556 3.3556 3.9418 3.9418 3.9552 3.9552 4.2548 4.2548 4.2571 4.2571 5.8550 5.8550 5.8551 5.8551 6.3630 6.3630 6.3715 6.3715 7.7233 7.7246 k = 0.5000 0.4374 0.3278 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6349 -10.6349 -10.6326 -10.6326 -8.4296 -8.4296 -8.4295 -8.4295 0.0017 0.0017 0.0307 0.0307 0.3543 0.3543 0.3830 0.3830 1.2306 1.2306 1.2308 1.2308 3.3465 3.3465 3.3556 3.3556 3.9418 3.9418 3.9552 3.9552 4.2548 4.2548 4.2571 4.2571 5.8550 5.8550 5.8551 5.8551 6.3630 6.3630 6.3715 6.3715 7.7230 7.7243 k = 0.4857 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6351 -10.6351 -10.6327 -10.6327 -8.4295 -8.4295 -8.4294 -8.4294 0.0023 0.0023 0.0313 0.0313 0.3545 0.3545 0.3833 0.3833 1.2300 1.2301 1.2304 1.2305 3.3465 3.3465 3.3557 3.3557 3.9412 3.9412 3.9547 3.9547 4.2543 4.2543 4.2572 4.2572 5.8554 5.8554 5.8561 5.8561 6.3634 6.3634 6.3720 6.3720 7.7231 7.7241 k = 0.4714 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7737 -18.7737 -18.7688 -18.7688 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2403 -18.2403 -10.6356 -10.6356 -10.6332 -10.6332 -8.4294 -8.4294 -8.4292 -8.4292 0.0040 0.0040 0.0330 0.0330 0.3553 0.3553 0.3840 0.3840 1.2286 1.2286 1.2293 1.2294 3.3466 3.3466 3.3558 3.3558 3.9392 3.9392 3.9531 3.9531 4.2531 4.2532 4.2572 4.2573 5.8572 5.8572 5.8586 5.8586 6.3647 6.3647 6.3733 6.3733 7.7237 7.7250 k = 0.4571 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7735 -18.7735 -18.7685 -18.7685 -18.4329 -18.4329 -18.3800 -18.3800 -18.2899 -18.2899 -18.2404 -18.2404 -10.6365 -10.6365 -10.6341 -10.6341 -8.4291 -8.4291 -8.4289 -8.4289 0.0068 0.0068 0.0359 0.0360 0.3565 0.3565 0.3853 0.3853 1.2263 1.2264 1.2274 1.2275 3.3468 3.3468 3.3560 3.3561 3.9361 3.9361 3.9504 3.9504 4.2514 4.2515 4.2571 4.2571 5.8604 5.8604 5.8625 5.8625 6.3670 6.3670 6.3755 6.3755 7.7240 7.7257 k = 0.4429 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7732 -18.7732 -18.7681 -18.7681 -18.4328 -18.4328 -18.3800 -18.3800 -18.2900 -18.2900 -18.2406 -18.2406 -10.6377 -10.6377 -10.6352 -10.6352 -8.4287 -8.4286 -8.4285 -8.4285 0.0108 0.0108 0.0400 0.0400 0.3581 0.3581 0.3870 0.3870 1.2232 1.2232 1.2247 1.2248 3.3471 3.3471 3.3565 3.3565 3.9317 3.9317 3.9467 3.9467 4.2494 4.2494 4.2565 4.2566 5.8650 5.8650 5.8677 5.8677 6.3702 6.3702 6.3787 6.3787 7.7247 7.7255 k = 0.4286 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7728 -18.7728 -18.7676 -18.7676 -18.4326 -18.4326 -18.3799 -18.3799 -18.2900 -18.2900 -18.2407 -18.2407 -10.6392 -10.6392 -10.6367 -10.6367 -8.4281 -8.4281 -8.4280 -8.4280 0.0159 0.0159 0.0453 0.0453 0.3602 0.3602 0.3891 0.3891 1.2192 1.2193 1.2212 1.2212 3.3475 3.3475 3.3571 3.3571 3.9261 3.9261 3.9419 3.9419 4.2469 4.2470 4.2556 4.2556 5.8709 5.8709 5.8743 5.8743 6.3744 6.3744 6.3829 6.3829 7.7243 7.7251 k = 0.4143 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4793 -37.4793 -18.7723 -18.7723 -18.7671 -18.7671 -18.4325 -18.4325 -18.3799 -18.3799 -18.2901 -18.2901 -18.2410 -18.2410 -10.6410 -10.6410 -10.6385 -10.6385 -8.4275 -8.4275 -8.4274 -8.4274 0.0222 0.0222 0.0518 0.0518 0.3626 0.3626 0.3916 0.3916 1.2145 1.2145 1.2168 1.2168 3.3482 3.3482 3.3579 3.3580 3.9194 3.9194 3.9361 3.9362 4.2440 4.2441 4.2541 4.2542 5.8780 5.8780 5.8821 5.8821 6.3797 6.3798 6.3882 6.3883 7.7238 7.7245 k = 0.4000 0.4374 0.3278 ( 5728 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4793 -18.7717 -18.7717 -18.7664 -18.7664 -18.4322 -18.4322 -18.3799 -18.3799 -18.2902 -18.2902 -18.2413 -18.2413 -10.6431 -10.6431 -10.6406 -10.6405 -8.4268 -8.4267 -8.4266 -8.4266 0.0297 0.0297 0.0594 0.0594 0.3653 0.3653 0.3943 0.3944 1.2088 1.2089 1.2116 1.2116 3.3492 3.3492 3.3592 3.3592 3.9117 3.9117 3.9294 3.9294 4.2407 4.2407 4.2522 4.2523 5.8864 5.8864 5.8912 5.8912 6.3862 6.3862 6.3947 6.3947 7.7221 7.7230 k = 0.3857 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7711 -18.7711 -18.7657 -18.7657 -18.4320 -18.4320 -18.3799 -18.3799 -18.2903 -18.2903 -18.2416 -18.2416 -10.6455 -10.6454 -10.6429 -10.6429 -8.4259 -8.4259 -8.4258 -8.4258 0.0383 0.0383 0.0683 0.0683 0.3683 0.3683 0.3974 0.3974 1.2024 1.2024 1.2056 1.2056 3.3505 3.3505 3.3608 3.3608 3.9029 3.9029 3.9217 3.9217 4.2369 4.2369 4.2497 4.2498 5.8960 5.8960 5.9015 5.9015 6.3939 6.3939 6.4023 6.4023 7.7192 7.7206 k = 0.3714 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7704 -18.7704 -18.7649 -18.7649 -18.4317 -18.4317 -18.3799 -18.3799 -18.2904 -18.2904 -18.2420 -18.2420 -10.6481 -10.6481 -10.6455 -10.6455 -8.4250 -8.4250 -8.4249 -8.4249 0.0481 0.0481 0.0784 0.0784 0.3715 0.3715 0.4007 0.4007 1.1951 1.1952 1.1987 1.1988 3.3523 3.3523 3.3629 3.3629 3.8932 3.8932 3.9131 3.9132 4.2326 4.2326 4.2467 4.2468 5.9067 5.9067 5.9128 5.9128 6.4028 6.4028 6.4112 6.4112 7.7147 7.7174 k = 0.3571 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7696 -18.7696 -18.7640 -18.7640 -18.4314 -18.4314 -18.3799 -18.3799 -18.2905 -18.2905 -18.2424 -18.2424 -10.6509 -10.6509 -10.6483 -10.6483 -8.4240 -8.4240 -8.4239 -8.4239 0.0591 0.0591 0.0897 0.0898 0.3748 0.3748 0.4040 0.4041 1.1870 1.1870 1.1911 1.1911 3.3546 3.3546 3.3656 3.3656 3.8826 3.8826 3.9037 3.9037 4.2277 4.2278 4.2430 4.2431 5.9185 5.9185 5.9253 5.9253 6.4131 6.4131 6.4214 6.4214 7.7086 7.7112 k = 0.3429 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4795 -37.4795 -37.4795 -37.4795 -18.7688 -18.7688 -18.7631 -18.7631 -18.4309 -18.4309 -18.3800 -18.3800 -18.2905 -18.2905 -18.2429 -18.2429 -10.6540 -10.6540 -10.6514 -10.6513 -8.4230 -8.4230 -8.4229 -8.4229 0.0713 0.0713 0.1023 0.1023 0.3781 0.3781 0.4075 0.4075 1.1780 1.1781 1.1826 1.1826 3.3575 3.3576 3.3689 3.3690 3.8712 3.8712 3.8936 3.8936 4.2223 4.2224 4.2387 4.2388 5.9314 5.9314 5.9388 5.9388 6.4246 6.4246 6.4329 6.4329 7.6997 7.7009 k = 0.3286 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4795 -37.4795 -37.4795 -37.4795 -18.7679 -18.7679 -18.7621 -18.7621 -18.4305 -18.4305 -18.3801 -18.3801 -18.2906 -18.2906 -18.2435 -18.2435 -10.6572 -10.6572 -10.6546 -10.6545 -8.4219 -8.4219 -8.4218 -8.4218 0.0846 0.0846 0.1161 0.1161 0.3815 0.3815 0.4110 0.4110 1.1682 1.1682 1.1732 1.1733 3.3612 3.3612 3.3730 3.3731 3.8590 3.8591 3.8827 3.8827 4.2163 4.2163 4.2337 4.2337 5.9452 5.9452 5.9532 5.9532 6.4373 6.4373 6.4456 6.4456 7.6888 7.6921 k = 0.3143 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4795 -37.4795 -37.4795 -37.4795 -18.7670 -18.7669 -18.7611 -18.7611 -18.4300 -18.4300 -18.3802 -18.3802 -18.2905 -18.2905 -18.2441 -18.2441 -10.6606 -10.6606 -10.6579 -10.6579 -8.4207 -8.4207 -8.4206 -8.4206 0.0991 0.0991 0.1311 0.1311 0.3847 0.3848 0.4145 0.4145 1.1575 1.1576 1.1631 1.1631 3.3656 3.3656 3.3780 3.3780 3.8462 3.8463 3.8713 3.8713 4.2096 4.2097 4.2280 4.2280 5.9600 5.9600 5.9685 5.9685 6.4513 6.4513 6.4595 6.4595 7.6765 7.6786 k = 0.3000 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4796 -37.4796 -37.4795 -37.4795 -18.7660 -18.7659 -18.7601 -18.7601 -18.4294 -18.4294 -18.3804 -18.3804 -18.2905 -18.2905 -18.2448 -18.2448 -10.6641 -10.6640 -10.6615 -10.6614 -8.4196 -8.4196 -8.4195 -8.4195 0.1148 0.1148 0.1474 0.1474 0.3879 0.3879 0.4179 0.4179 1.1460 1.1460 1.1521 1.1521 3.3708 3.3708 3.3839 3.3839 3.8328 3.8329 3.8593 3.8594 4.2023 4.2024 4.2215 4.2216 5.9757 5.9757 5.9848 5.9848 6.4665 6.4665 6.4746 6.4746 7.6601 7.6629 k = 0.2857 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4796 -37.4796 -37.4796 -37.4796 -18.7649 -18.7649 -18.7591 -18.7591 -18.4287 -18.4287 -18.3806 -18.3806 -18.2904 -18.2904 -18.2455 -18.2455 -10.6677 -10.6676 -10.6651 -10.6650 -8.4184 -8.4184 -8.4183 -8.4183 0.1315 0.1315 0.1648 0.1648 0.3910 0.3910 0.4213 0.4213 1.1336 1.1336 1.1402 1.1402 3.3768 3.3769 3.3907 3.3907 3.8189 3.8190 3.8470 3.8470 4.1943 4.1944 4.2143 4.2143 5.9923 5.9923 6.0018 6.0018 6.4828 6.4828 6.4908 6.4908 7.6420 7.6445 k = 0.2714 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4796 -37.4796 -37.4796 -37.4796 -18.7639 -18.7639 -18.7580 -18.7580 -18.4280 -18.4280 -18.3809 -18.3809 -18.2902 -18.2902 -18.2463 -18.2463 -10.6713 -10.6713 -10.6687 -10.6687 -8.4172 -8.4171 -8.4171 -8.4170 0.1493 0.1493 0.1834 0.1834 0.3938 0.3939 0.4245 0.4245 1.1203 1.1203 1.1274 1.1275 3.3838 3.3838 3.3986 3.3986 3.8047 3.8047 3.8344 3.8344 4.1856 4.1857 4.2063 4.2063 6.0096 6.0096 6.0195 6.0195 6.5000 6.5000 6.5079 6.5079 7.6215 7.6224 k = 0.2571 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4797 -37.4797 -37.4796 -37.4796 -18.7628 -18.7628 -18.7570 -18.7570 -18.4272 -18.4272 -18.3813 -18.3813 -18.2900 -18.2900 -18.2472 -18.2472 -10.6750 -10.6750 -10.6724 -10.6724 -8.4159 -8.4159 -8.4159 -8.4158 0.1680 0.1680 0.2031 0.2031 0.3965 0.3965 0.4277 0.4277 1.1060 1.1061 1.1137 1.1138 3.3916 3.3917 3.4075 3.4075 3.7901 3.7901 3.8216 3.8217 4.1762 4.1763 4.1975 4.1976 6.0276 6.0276 6.0379 6.0379 6.5182 6.5182 6.5260 6.5260 7.5992 7.6025 k = 0.2429 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4797 -37.4797 -37.4797 -37.4797 -18.7617 -18.7617 -18.7559 -18.7559 -18.4264 -18.4263 -18.3817 -18.3817 -18.2896 -18.2896 -18.2481 -18.2481 -10.6787 -10.6786 -10.6762 -10.6761 -8.4147 -8.4147 -8.4146 -8.4146 0.1876 0.1877 0.2239 0.2239 0.3990 0.3990 0.4308 0.4309 1.0909 1.0910 1.0992 1.0992 3.4003 3.4004 3.4175 3.4176 3.7753 3.7753 3.8089 3.8089 4.1661 4.1661 4.1880 4.1880 6.0463 6.0463 6.0568 6.0569 6.5372 6.5372 6.5448 6.5448 7.5750 7.5754 k = 0.2286 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4797 -37.4797 -37.4797 -37.4797 -18.7606 -18.7605 -18.7549 -18.7549 -18.4254 -18.4254 -18.3823 -18.3823 -18.2893 -18.2892 -18.2491 -18.2491 -10.6823 -10.6823 -10.6799 -10.6799 -8.4135 -8.4135 -8.4135 -8.4134 0.2080 0.2081 0.2457 0.2457 0.4013 0.4013 0.4340 0.4340 1.0749 1.0749 1.0836 1.0837 3.4099 3.4099 3.4286 3.4286 3.7605 3.7605 3.7962 3.7963 4.1553 4.1553 4.1777 4.1777 6.0653 6.0653 6.0762 6.0762 6.5568 6.5568 6.5642 6.5643 7.5492 7.5502 k = 0.2143 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4798 -37.4798 -37.4798 -37.4798 -18.7595 -18.7594 -18.7540 -18.7540 -18.4244 -18.4244 -18.3829 -18.3829 -18.2888 -18.2888 -18.2501 -18.2501 -10.6859 -10.6859 -10.6836 -10.6835 -8.4124 -8.4124 -8.4123 -8.4123 0.2290 0.2291 0.2683 0.2683 0.4035 0.4035 0.4373 0.4374 1.0579 1.0579 1.0672 1.0672 3.4202 3.4202 3.4407 3.4407 3.7457 3.7458 3.7839 3.7839 4.1438 4.1438 4.1666 4.1667 6.0847 6.0847 6.0957 6.0957 6.5770 6.5771 6.5843 6.5843 7.5219 7.5223 k = 0.2000 0.4374 0.3278 ( 5748 PWs) bands (ev): -37.4798 -37.4798 -37.4798 -37.4798 -18.7584 -18.7584 -18.7531 -18.7531 -18.4233 -18.4233 -18.3836 -18.3836 -18.2882 -18.2882 -18.2513 -18.2513 -10.6894 -10.6894 -10.6872 -10.6871 -8.4113 -8.4112 -8.4112 -8.4112 0.2504 0.2504 0.2917 0.2917 0.4056 0.4056 0.4410 0.4410 1.0400 1.0400 1.0497 1.0498 3.4311 3.4312 3.4537 3.4537 3.7312 3.7313 3.7720 3.7721 4.1316 4.1317 4.1548 4.1549 6.1043 6.1043 6.1153 6.1153 6.5978 6.5978 6.6048 6.6048 7.4937 7.4942 k = 0.1857 0.4374 0.3278 ( 5744 PWs) bands (ev): -37.4798 -37.4798 -37.4798 -37.4798 -18.7573 -18.7573 -18.7522 -18.7522 -18.4222 -18.4221 -18.3844 -18.3844 -18.2875 -18.2875 -18.2524 -18.2524 -10.6928 -10.6928 -10.6906 -10.6906 -8.4102 -8.4102 -8.4101 -8.4101 0.2719 0.2719 0.3155 0.3155 0.4080 0.4080 0.4452 0.4452 1.0211 1.0211 1.0313 1.0313 3.4426 3.4427 3.4676 3.4676 3.7171 3.7171 3.7609 3.7609 4.1189 4.1190 4.1424 4.1424 6.1238 6.1238 6.1347 6.1347 6.6190 6.6190 6.6257 6.6257 7.4644 7.4663 k = 0.1714 0.4374 0.3278 ( 5744 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7562 -18.7562 -18.7514 -18.7513 -18.4209 -18.4209 -18.3853 -18.3853 -18.2868 -18.2868 -18.2537 -18.2537 -10.6961 -10.6960 -10.6940 -10.6940 -8.4091 -8.4091 -8.4091 -8.4091 0.2930 0.2930 0.3391 0.3391 0.4112 0.4112 0.4504 0.4504 1.0013 1.0013 1.0119 1.0120 3.4544 3.4545 3.4821 3.4822 3.7036 3.7036 3.7506 3.7506 4.1056 4.1057 4.1293 4.1294 6.1430 6.1430 6.1538 6.1538 6.6405 6.6405 6.6469 6.6469 7.4348 7.4354 k = 0.1571 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7552 -18.7552 -18.7506 -18.7506 -18.4196 -18.4196 -18.3863 -18.3863 -18.2859 -18.2859 -18.2550 -18.2550 -10.6991 -10.6991 -10.6972 -10.6972 -8.4082 -8.4082 -8.4081 -8.4081 0.3132 0.3132 0.3612 0.3612 0.4164 0.4164 0.4571 0.4571 0.9805 0.9806 0.9915 0.9916 3.4663 3.4664 3.4971 3.4971 3.6909 3.6909 3.7413 3.7413 4.0920 4.0920 4.1157 4.1158 6.1617 6.1617 6.1723 6.1723 6.6623 6.6623 6.6684 6.6684 7.4047 7.4048 k = 0.1429 0.4374 0.3278 ( 5744 PWs) bands (ev): -37.4799 -37.4799 -37.4799 -37.4799 -18.7542 -18.7542 -18.7499 -18.7499 -18.4182 -18.4182 -18.3874 -18.3874 -18.2850 -18.2850 -18.2563 -18.2563 -10.7020 -10.7020 -10.7002 -10.7002 -8.4073 -8.4072 -8.4072 -8.4072 0.3317 0.3317 0.3788 0.3788 0.4265 0.4266 0.4659 0.4659 0.9589 0.9590 0.9702 0.9703 3.4781 3.4782 3.5122 3.5122 3.6794 3.6794 3.7333 3.7334 4.0780 4.0780 4.1017 4.1017 6.1797 6.1797 6.1899 6.1899 6.6843 6.6843 6.6900 6.6900 7.3748 7.3761 k = 0.1286 0.4374 0.3278 ( 5748 PWs) bands (ev): -37.4800 -37.4800 -37.4799 -37.4799 -18.7533 -18.7532 -18.7493 -18.7493 -18.4168 -18.4168 -18.3886 -18.3885 -18.2839 -18.2839 -18.2577 -18.2577 -10.7047 -10.7047 -10.7031 -10.7030 -8.4064 -8.4064 -8.4064 -8.4064 0.3478 0.3479 0.3892 0.3892 0.4443 0.4443 0.4776 0.4776 0.9364 0.9365 0.9480 0.9480 3.4895 3.4895 3.5269 3.5269 3.6694 3.6694 3.7268 3.7268 4.0638 4.0638 4.0873 4.0874 6.1967 6.1967 6.2064 6.2064 6.7065 6.7066 6.7118 6.7118 7.3445 7.3446 k = 0.1143 0.4374 0.3278 ( 5748 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7524 -18.7524 -18.7488 -18.7488 -18.4153 -18.4153 -18.3898 -18.3898 -18.2828 -18.2828 -18.2592 -18.2592 -10.7071 -10.7071 -10.7056 -10.7056 -8.4057 -8.4056 -8.4056 -8.4056 0.3610 0.3611 0.3940 0.3941 0.4678 0.4678 0.4926 0.4927 0.9131 0.9131 0.9248 0.9249 3.5002 3.5002 3.5405 3.5405 3.6616 3.6616 3.7218 3.7218 4.0497 4.0497 4.0728 4.0728 6.2126 6.2126 6.2216 6.2216 6.7288 6.7288 6.7336 6.7336 7.3148 7.3149 k = 0.1000 0.4374 0.3278 ( 5732 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7515 -18.7515 -18.7483 -18.7483 -18.4137 -18.4137 -18.3911 -18.3911 -18.2816 -18.2816 -18.2606 -18.2606 -10.7093 -10.7093 -10.7080 -10.7080 -8.4050 -8.4050 -8.4049 -8.4049 0.3712 0.3712 0.3963 0.3964 0.4940 0.4940 0.5111 0.5111 0.8890 0.8891 0.9009 0.9009 3.5100 3.5100 3.5520 3.5520 3.6568 3.6569 3.7183 3.7183 4.0360 4.0360 4.0582 4.0583 6.2270 6.2271 6.2353 6.2353 6.7510 6.7510 6.7553 6.7554 7.2860 7.2861 k = 0.0857 0.4374 0.3278 ( 5728 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7507 -18.7507 -18.7479 -18.7479 -18.4121 -18.4121 -18.3925 -18.3925 -18.2803 -18.2803 -18.2621 -18.2621 -10.7112 -10.7112 -10.7101 -10.7100 -8.4044 -8.4044 -8.4043 -8.4043 0.3787 0.3787 0.3974 0.3974 0.5214 0.5214 0.5325 0.5325 0.8643 0.8644 0.8761 0.8762 3.5187 3.5187 3.5602 3.5602 3.6560 3.6561 3.7162 3.7162 4.0229 4.0229 4.0440 4.0440 6.2400 6.2400 6.2473 6.2473 6.7728 6.7728 6.7766 6.7766 7.2582 7.2584 k = 0.0714 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7501 -18.7500 -18.7477 -18.7477 -18.4105 -18.4105 -18.3940 -18.3940 -18.2790 -18.2790 -18.2637 -18.2637 -10.7129 -10.7128 -10.7119 -10.7119 -8.4039 -8.4039 -8.4038 -8.4038 0.3841 0.3841 0.3978 0.3979 0.5491 0.5491 0.5563 0.5563 0.8392 0.8392 0.8508 0.8509 3.5263 3.5263 3.5645 3.5645 3.6596 3.6596 3.7151 3.7151 4.0109 4.0109 4.0303 4.0303 6.2512 6.2512 6.2575 6.2575 6.7938 6.7938 6.7971 6.7971 7.2321 7.2321 k = 0.0571 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4800 -37.4800 -37.4800 -37.4800 -18.7494 -18.7494 -18.7475 -18.7475 -18.4089 -18.4089 -18.3955 -18.3955 -18.2776 -18.2776 -18.2652 -18.2652 -10.7142 -10.7142 -10.7134 -10.7134 -8.4034 -8.4034 -8.4034 -8.4034 0.3880 0.3880 0.3979 0.3979 0.5763 0.5763 0.5819 0.5819 0.8138 0.8138 0.8251 0.8251 3.5328 3.5328 3.5652 3.5652 3.6668 3.6668 3.7145 3.7145 4.0005 4.0006 4.0175 4.0176 6.2606 6.2606 6.2658 6.2658 6.8135 6.8135 6.8162 6.8162 7.2083 7.2083 k = 0.0429 0.4374 0.3278 ( 5740 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7489 -18.7489 -18.7474 -18.7474 -18.4072 -18.4072 -18.3971 -18.3971 -18.2761 -18.2761 -18.2668 -18.2668 -10.7152 -10.7152 -10.7146 -10.7146 -8.4031 -8.4031 -8.4031 -8.4030 0.3908 0.3908 0.3976 0.3976 0.6026 0.6026 0.6083 0.6083 0.7886 0.7887 0.7993 0.7993 3.5385 3.5385 3.5634 3.5634 3.6761 3.6762 3.7136 3.7136 3.9924 3.9924 4.0062 4.0062 6.2682 6.2682 6.2722 6.2722 6.8309 6.8309 6.8330 6.8330 7.1878 7.1878 k = 0.0286 0.4374 0.3278 ( 5736 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7484 -18.7484 -18.7474 -18.7474 -18.4055 -18.4055 -18.3987 -18.3987 -18.2747 -18.2746 -18.2684 -18.2684 -10.7159 -10.7159 -10.7155 -10.7155 -8.4029 -8.4029 -8.4028 -8.4028 0.3929 0.3929 0.3971 0.3972 0.6276 0.6276 0.6335 0.6336 0.7649 0.7650 0.7743 0.7744 3.5435 3.5435 3.5603 3.5603 3.6859 3.6860 3.7117 3.7117 3.9869 3.9869 3.9967 3.9967 6.2738 6.2738 6.2765 6.2765 6.8449 6.8449 6.8464 6.8464 7.1717 7.1717 k = 0.0143 0.4374 0.3278 ( 5744 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7480 -18.7480 -18.7476 -18.7475 -18.4038 -18.4038 -18.4004 -18.4004 -18.2731 -18.2731 -18.2700 -18.2700 -10.7163 -10.7163 -10.7161 -10.7161 -8.4027 -8.4027 -8.4027 -8.4027 0.3944 0.3944 0.3965 0.3965 0.6493 0.6493 0.6540 0.6540 0.7458 0.7458 0.7523 0.7523 3.5481 3.5481 3.5565 3.5565 3.6950 3.6951 3.7081 3.7082 3.9845 3.9845 3.9896 3.9896 6.2775 6.2775 6.2788 6.2789 6.8543 6.8543 6.8550 6.8550 7.1614 7.1614 k = 0.0000 0.4374 0.3278 ( 5752 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7478 -18.7478 -18.7478 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2716 -10.7164 -10.7164 -10.7163 -10.7163 -8.4027 -8.4027 -8.4026 -8.4026 0.3956 0.3956 0.3956 0.3956 0.6610 0.6610 0.6611 0.6611 0.7398 0.7398 0.7399 0.7399 3.5524 3.5524 3.5524 3.5524 3.7025 3.7025 3.7026 3.7026 3.9854 3.9854 3.9855 3.9855 6.2792 6.2792 6.2792 6.2792 6.8577 6.8577 6.8578 6.8578 7.1580 7.1580 k = 0.0000 0.4374 0.3278 ( 5752 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7478 -18.7478 -18.7478 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2716 -10.7164 -10.7164 -10.7163 -10.7163 -8.4027 -8.4027 -8.4026 -8.4026 0.3956 0.3956 0.3956 0.3956 0.6610 0.6610 0.6611 0.6611 0.7398 0.7398 0.7399 0.7399 3.5524 3.5524 3.5524 3.5524 3.7025 3.7025 3.7026 3.7026 3.9854 3.9854 3.9855 3.9855 6.2792 6.2792 6.2792 6.2792 6.8577 6.8577 6.8578 6.8578 7.1580 7.1580 k = 0.0000 0.4232 0.3278 ( 5746 PWs) bands (ev): -37.4808 -37.4808 -37.4793 -37.4793 -18.7506 -18.7506 -18.7449 -18.7449 -18.4051 -18.4051 -18.3991 -18.3991 -18.2719 -18.2719 -18.2712 -18.2712 -10.7201 -10.7201 -10.7131 -10.7131 -8.4053 -8.4053 -8.3990 -8.3990 0.3894 0.3894 0.3988 0.3988 0.6457 0.6457 0.6792 0.6792 0.7259 0.7260 0.7540 0.7540 3.4903 3.4904 3.6021 3.6021 3.6941 3.6941 3.7142 3.7143 3.9702 3.9702 4.0083 4.0083 6.2403 6.2403 6.3172 6.3172 6.8348 6.8348 6.8817 6.8817 7.1021 7.1021 k = 0.0000 0.4091 0.3278 ( 5750 PWs) bands (ev): -37.4816 -37.4816 -37.4786 -37.4786 -18.7535 -18.7535 -18.7420 -18.7420 -18.4081 -18.4081 -18.3961 -18.3961 -18.2722 -18.2722 -18.2708 -18.2708 -10.7244 -10.7244 -10.7104 -10.7104 -8.4069 -8.4069 -8.3944 -8.3944 0.3801 0.3802 0.3990 0.3991 0.6336 0.6336 0.6982 0.6982 0.7136 0.7136 0.7684 0.7684 3.4220 3.4220 3.6291 3.6292 3.6937 3.6937 3.7259 3.7259 3.9694 3.9694 4.0345 4.0345 6.2010 6.2010 6.3539 6.3539 6.8127 6.8127 6.9064 6.9064 7.0481 7.0481 k = 0.0000 0.3950 0.3278 ( 5748 PWs) bands (ev): -37.4823 -37.4823 -37.4778 -37.4778 -18.7564 -18.7563 -18.7391 -18.7391 -18.4111 -18.4111 -18.3931 -18.3931 -18.2725 -18.2725 -18.2704 -18.2704 -10.7291 -10.7291 -10.7082 -10.7082 -8.4076 -8.4076 -8.3888 -8.3888 0.3680 0.3681 0.3968 0.3969 0.6250 0.6250 0.6969 0.6969 0.7233 0.7233 0.7829 0.7829 3.3507 3.3507 3.6316 3.6316 3.6967 3.6967 3.7376 3.7376 3.9888 3.9888 4.0618 4.0618 6.1616 6.1616 6.3885 6.3885 6.7916 6.7916 6.9320 6.9320 6.9969 6.9969 k = 0.0000 0.3809 0.3278 ( 5756 PWs) bands (ev): -37.4830 -37.4830 -37.4771 -37.4771 -18.7592 -18.7592 -18.7363 -18.7363 -18.4141 -18.4141 -18.3902 -18.3902 -18.2728 -18.2728 -18.2700 -18.2700 -10.7342 -10.7342 -10.7065 -10.7065 -8.4073 -8.4073 -8.3823 -8.3823 0.3533 0.3533 0.3928 0.3929 0.6191 0.6191 0.6850 0.6850 0.7451 0.7451 0.7977 0.7977 3.2781 3.2781 3.6221 3.6221 3.6882 3.6882 3.7523 3.7523 4.0268 4.0269 4.0892 4.0892 6.1222 6.1222 6.4200 6.4200 6.7715 6.7715 6.9483 6.9483 6.9598 6.9598 k = 0.0000 0.3668 0.3278 ( 5756 PWs) bands (ev): -37.4838 -37.4838 -37.4764 -37.4764 -18.7620 -18.7620 -18.7335 -18.7335 -18.4170 -18.4170 -18.3873 -18.3873 -18.2730 -18.2730 -18.2696 -18.2696 -10.7398 -10.7398 -10.7053 -10.7053 -8.4062 -8.4062 -8.3749 -8.3749 0.3363 0.3363 0.3878 0.3878 0.6147 0.6147 0.6738 0.6738 0.7669 0.7669 0.8129 0.8129 3.2056 3.2056 3.6068 3.6068 3.6696 3.6696 3.7692 3.7692 4.0751 4.0751 4.1176 4.1176 6.0831 6.0831 6.4467 6.4467 6.7524 6.7524 6.9079 6.9079 6.9861 6.9861 k = 0.0000 0.3527 0.3278 ( 5758 PWs) bands (ev): -37.4845 -37.4845 -37.4757 -37.4757 -18.7647 -18.7647 -18.7307 -18.7307 -18.4200 -18.4200 -18.3845 -18.3845 -18.2733 -18.2733 -18.2692 -18.2692 -10.7457 -10.7457 -10.7046 -10.7046 -8.4041 -8.4041 -8.3666 -8.3666 0.3176 0.3176 0.3823 0.3823 0.6103 0.6103 0.6648 0.6648 0.7877 0.7877 0.8289 0.8289 3.1341 3.1341 3.5853 3.5853 3.6488 3.6488 3.7868 3.7868 4.1194 4.1194 4.1542 4.1542 6.0443 6.0443 6.4668 6.4668 6.7341 6.7341 6.8743 6.8743 7.0140 7.0140 k = 0.0000 0.3386 0.3278 ( 5766 PWs) bands (ev): -37.4852 -37.4852 -37.4750 -37.4750 -18.7674 -18.7674 -18.7280 -18.7280 -18.4229 -18.4229 -18.3817 -18.3817 -18.2734 -18.2734 -18.2688 -18.2688 -10.7520 -10.7520 -10.7044 -10.7044 -8.4013 -8.4013 -8.3574 -8.3574 0.2977 0.2978 0.3770 0.3771 0.6043 0.6043 0.6585 0.6585 0.8065 0.8065 0.8459 0.8459 3.0643 3.0643 3.5568 3.5568 3.6309 3.6309 3.8049 3.8049 4.1480 4.1480 4.2066 4.2066 6.0060 6.0060 6.4779 6.4779 6.7169 6.7169 6.8510 6.8510 7.0425 7.0425 k = 0.0000 0.3245 0.3278 ( 5756 PWs) bands (ev): -37.4859 -37.4859 -37.4743 -37.4743 -18.7701 -18.7701 -18.7253 -18.7253 -18.4257 -18.4257 -18.3789 -18.3789 -18.2736 -18.2736 -18.2683 -18.2683 -10.7585 -10.7585 -10.7047 -10.7047 -8.3978 -8.3978 -8.3476 -8.3476 0.2773 0.2774 0.3723 0.3723 0.5959 0.5959 0.6550 0.6550 0.8230 0.8230 0.8638 0.8638 2.9969 2.9969 3.5226 3.5226 3.6168 3.6168 3.8233 3.8233 4.1688 4.1688 4.2644 4.2644 5.9683 5.9683 6.4783 6.4783 6.7006 6.7006 6.8398 6.8398 7.0716 7.0716 k = 0.0000 0.3104 0.3278 ( 5746 PWs) bands (ev): -37.4866 -37.4866 -37.4736 -37.4736 -18.7726 -18.7726 -18.7226 -18.7226 -18.4284 -18.4284 -18.3762 -18.3762 -18.2737 -18.2737 -18.2679 -18.2679 -10.7653 -10.7653 -10.7053 -10.7053 -8.3936 -8.3936 -8.3370 -8.3370 0.2569 0.2569 0.3684 0.3684 0.5856 0.5856 0.6532 0.6532 0.8375 0.8375 0.8820 0.8820 2.9324 2.9324 3.4851 3.4851 3.6053 3.6053 3.8420 3.8420 4.1860 4.1860 4.3222 4.3222 5.9313 5.9313 6.4683 6.4683 6.6852 6.6852 6.8404 6.8404 7.1012 7.1012 k = 0.0000 0.2963 0.3278 ( 5750 PWs) bands (ev): -37.4872 -37.4872 -37.4729 -37.4729 -18.7752 -18.7752 -18.7201 -18.7201 -18.4312 -18.4312 -18.3737 -18.3737 -18.2738 -18.2738 -18.2674 -18.2674 -10.7722 -10.7722 -10.7064 -10.7064 -8.3887 -8.3887 -8.3259 -8.3259 0.2368 0.2368 0.3655 0.3655 0.5741 0.5741 0.6518 0.6518 0.8504 0.8504 0.8997 0.8997 2.8713 2.8713 3.4462 3.4462 3.5955 3.5955 3.8609 3.8609 4.2002 4.2002 4.3782 4.3782 5.8949 5.8949 6.4500 6.4500 6.6707 6.6707 6.8508 6.8508 7.1311 7.1311 k = 0.0000 0.2822 0.3278 ( 5750 PWs) bands (ev): -37.4879 -37.4879 -37.4723 -37.4723 -18.7776 -18.7776 -18.7176 -18.7176 -18.4338 -18.4338 -18.3712 -18.3711 -18.2739 -18.2739 -18.2670 -18.2670 -10.7793 -10.7793 -10.7078 -10.7078 -8.3834 -8.3834 -8.3143 -8.3143 0.2174 0.2174 0.3637 0.3637 0.5620 0.5620 0.6498 0.6498 0.8620 0.8620 0.9163 0.9163 2.8140 2.8140 3.4070 3.4070 3.5869 3.5869 3.8800 3.8800 4.2117 4.2118 4.4316 4.4316 5.8594 5.8594 6.4263 6.4263 6.6571 6.6571 6.8680 6.8680 7.1612 7.1612 k = 0.0000 0.2681 0.3278 ( 5750 PWs) bands (ev): -37.4885 -37.4885 -37.4716 -37.4716 -18.7799 -18.7799 -18.7152 -18.7152 -18.4363 -18.4363 -18.3687 -18.3687 -18.2739 -18.2739 -18.2665 -18.2665 -10.7864 -10.7864 -10.7095 -10.7095 -8.3776 -8.3776 -8.3023 -8.3023 0.1990 0.1990 0.3631 0.3631 0.5497 0.5497 0.6464 0.6464 0.8727 0.8727 0.9312 0.9312 2.7609 2.7609 3.3684 3.3684 3.5791 3.5791 3.8991 3.8991 4.2208 4.2208 4.4820 4.4820 5.8248 5.8248 6.3999 6.3999 6.6444 6.6444 6.8895 6.8895 7.1915 7.1915 k = 0.0000 0.2539 0.3278 ( 5754 PWs) bands (ev): -37.4891 -37.4891 -37.4711 -37.4711 -18.7822 -18.7822 -18.7128 -18.7128 -18.4389 -18.4389 -18.3664 -18.3664 -18.2739 -18.2739 -18.2661 -18.2661 -10.7936 -10.7936 -10.7115 -10.7115 -8.3715 -8.3715 -8.2900 -8.2900 0.1818 0.1818 0.3639 0.3639 0.5375 0.5375 0.6412 0.6412 0.8824 0.8824 0.9440 0.9441 2.7124 2.7124 3.3308 3.3308 3.5722 3.5722 3.9183 3.9183 4.2275 4.2275 4.5289 4.5289 5.7911 5.7911 6.3728 6.3728 6.6325 6.6325 6.9134 6.9134 7.2218 7.2218 k = 0.0000 0.2398 0.3278 ( 5756 PWs) bands (ev): -37.4897 -37.4897 -37.4705 -37.4705 -18.7844 -18.7844 -18.7106 -18.7106 -18.4412 -18.4412 -18.3642 -18.3642 -18.2739 -18.2739 -18.2657 -18.2657 -10.8007 -10.8007 -10.7137 -10.7137 -8.3651 -8.3651 -8.2775 -8.2775 0.1661 0.1661 0.3660 0.3660 0.5255 0.5255 0.6338 0.6338 0.8914 0.8914 0.9546 0.9547 2.6686 2.6686 3.2947 3.2947 3.5658 3.5658 3.9374 3.9374 4.2320 4.2320 4.5721 4.5722 5.7584 5.7585 6.3463 6.3463 6.6215 6.6215 6.9385 6.9385 7.2519 7.2519 k = 0.0000 0.2257 0.3278 ( 5760 PWs) bands (ev): -37.4903 -37.4903 -37.4699 -37.4699 -18.7865 -18.7865 -18.7084 -18.7084 -18.4435 -18.4435 -18.3621 -18.3621 -18.2739 -18.2739 -18.2653 -18.2653 -10.8077 -10.8077 -10.7160 -10.7160 -8.3585 -8.3585 -8.2649 -8.2649 0.1519 0.1519 0.3695 0.3695 0.5137 0.5137 0.6239 0.6239 0.8996 0.8996 0.9628 0.9628 2.6297 2.6297 3.2604 3.2604 3.5600 3.5600 3.9563 3.9563 4.2344 4.2344 4.6116 4.6117 5.7270 5.7270 6.3212 6.3212 6.6112 6.6112 6.9639 6.9639 7.2817 7.2817 k = 0.0000 0.2116 0.3278 ( 5764 PWs) bands (ev): -37.4908 -37.4908 -37.4694 -37.4694 -18.7885 -18.7885 -18.7064 -18.7064 -18.4458 -18.4458 -18.3600 -18.3600 -18.2738 -18.2738 -18.2649 -18.2649 -10.8146 -10.8146 -10.7185 -10.7185 -8.3518 -8.3518 -8.2524 -8.2524 0.1394 0.1394 0.3743 0.3743 0.5024 0.5024 0.6116 0.6116 0.9071 0.9071 0.9684 0.9684 2.5956 2.5956 3.2282 3.2283 3.5548 3.5548 3.9749 3.9749 4.2349 4.2349 4.6473 4.6473 5.6967 5.6967 6.2981 6.2981 6.6017 6.6017 6.9892 6.9892 7.3111 7.3111 k = 0.0000 0.1975 0.3278 ( 5768 PWs) bands (ev): -37.4913 -37.4913 -37.4689 -37.4689 -18.7904 -18.7904 -18.7044 -18.7044 -18.4478 -18.4478 -18.3582 -18.3582 -18.2738 -18.2738 -18.2645 -18.2645 -10.8213 -10.8213 -10.7211 -10.7211 -8.3451 -8.3451 -8.2400 -8.2400 0.1288 0.1288 0.3804 0.3804 0.4916 0.4916 0.5968 0.5968 0.9138 0.9138 0.9714 0.9714 2.5664 2.5664 3.1984 3.1984 3.5500 3.5500 3.9930 3.9930 4.2337 4.2337 4.6792 4.6792 5.6678 5.6678 6.2772 6.2772 6.5929 6.5929 7.0140 7.0140 7.3398 7.3398 k = 0.0000 0.1834 0.3278 ( 5764 PWs) bands (ev): -37.4918 -37.4918 -37.4684 -37.4684 -18.7922 -18.7922 -18.7026 -18.7026 -18.4498 -18.4498 -18.3564 -18.3564 -18.2737 -18.2737 -18.2642 -18.2642 -10.8278 -10.8278 -10.7238 -10.7238 -8.3384 -8.3384 -8.2279 -8.2279 0.1201 0.1201 0.3878 0.3878 0.4813 0.4813 0.5797 0.5797 0.9198 0.9198 0.9719 0.9719 2.5419 2.5419 3.1710 3.1710 3.5457 3.5457 4.0106 4.0106 4.2310 4.2310 4.7072 4.7072 5.6403 5.6403 6.2587 6.2587 6.5849 6.5849 7.0382 7.0382 7.3677 7.3677 k = 0.0000 0.1693 0.3278 ( 5756 PWs) bands (ev): -37.4922 -37.4922 -37.4680 -37.4680 -18.7938 -18.7938 -18.7009 -18.7009 -18.4516 -18.4516 -18.3547 -18.3547 -18.2736 -18.2736 -18.2638 -18.2638 -10.8340 -10.8340 -10.7264 -10.7264 -8.3319 -8.3319 -8.2161 -8.2161 0.1134 0.1134 0.3962 0.3962 0.4715 0.4716 0.5607 0.5607 0.9247 0.9247 0.9703 0.9703 2.5217 2.5217 3.1461 3.1461 3.5418 3.5418 4.0275 4.0275 4.2271 4.2271 4.7317 4.7317 5.6143 5.6143 6.2426 6.2426 6.5776 6.5776 7.0617 7.0617 7.3945 7.3945 k = 0.0000 0.1552 0.3278 ( 5756 PWs) bands (ev): -37.4926 -37.4926 -37.4676 -37.4676 -18.7953 -18.7953 -18.6993 -18.6993 -18.4533 -18.4533 -18.3531 -18.3531 -18.2735 -18.2735 -18.2635 -18.2635 -10.8398 -10.8398 -10.7290 -10.7290 -8.3256 -8.3256 -8.2049 -8.2049 0.1088 0.1088 0.4054 0.4054 0.4624 0.4624 0.5402 0.5402 0.9283 0.9283 0.9670 0.9670 2.5055 2.5055 3.1237 3.1237 3.5382 3.5382 4.0437 4.0437 4.2221 4.2221 4.7528 4.7528 5.5900 5.5900 6.2288 6.2288 6.5709 6.5709 7.0843 7.0843 7.4202 7.4202 k = 0.0000 0.1411 0.3278 ( 5764 PWs) bands (ev): -37.4930 -37.4930 -37.4672 -37.4672 -18.7968 -18.7968 -18.6978 -18.6978 -18.4549 -18.4549 -18.3517 -18.3517 -18.2734 -18.2734 -18.2632 -18.2632 -10.8453 -10.8453 -10.7315 -10.7315 -8.3196 -8.3196 -8.1942 -8.1942 0.1062 0.1062 0.4147 0.4147 0.4540 0.4540 0.5191 0.5191 0.9298 0.9298 0.9630 0.9630 2.4930 2.4930 3.1038 3.1038 3.5351 3.5351 4.0590 4.0590 4.2164 4.2164 4.7707 4.7707 5.5674 5.5674 6.2173 6.2173 6.5649 6.5649 7.1060 7.1060 7.4445 7.4445 k = 0.0000 0.1270 0.3278 ( 5754 PWs) bands (ev): -37.4933 -37.4933 -37.4669 -37.4669 -18.7980 -18.7980 -18.6965 -18.6965 -18.4564 -18.4564 -18.3504 -18.3504 -18.2733 -18.2733 -18.2629 -18.2629 -10.8504 -10.8504 -10.7338 -10.7338 -8.3140 -8.3140 -8.1842 -8.1842 0.1056 0.1056 0.4229 0.4229 0.4460 0.4460 0.4990 0.4990 0.9279 0.9279 0.9600 0.9600 2.4836 2.4836 3.0864 3.0864 3.5323 3.5323 4.0732 4.0732 4.2101 4.2101 4.7857 4.7857 5.5466 5.5466 6.2077 6.2077 6.5595 6.5595 7.1267 7.1267 7.4672 7.4672 k = 0.0000 0.1129 0.3278 ( 5750 PWs) bands (ev): -37.4936 -37.4936 -37.4665 -37.4665 -18.7992 -18.7992 -18.6952 -18.6952 -18.4577 -18.4577 -18.3493 -18.3493 -18.2732 -18.2732 -18.2626 -18.2626 -10.8550 -10.8550 -10.7361 -10.7361 -8.3087 -8.3087 -8.1750 -8.1750 0.1071 0.1071 0.4263 0.4263 0.4386 0.4386 0.4840 0.4840 0.9218 0.9218 0.9590 0.9590 2.4769 2.4769 3.0713 3.0713 3.5298 3.5298 4.0863 4.0863 4.2036 4.2036 4.7980 4.7980 5.5278 5.5278 6.2000 6.2000 6.5548 6.5548 7.1461 7.1461 7.4882 7.4882 k = 0.0000 0.0988 0.3278 ( 5750 PWs) bands (ev): -37.4939 -37.4939 -37.4663 -37.4663 -18.8002 -18.8002 -18.6941 -18.6941 -18.4588 -18.4588 -18.3483 -18.3482 -18.2731 -18.2731 -18.2624 -18.2624 -10.8591 -10.8591 -10.7381 -10.7381 -8.3040 -8.3040 -8.1667 -8.1667 0.1105 0.1105 0.4181 0.4181 0.4325 0.4325 0.4802 0.4802 0.9124 0.9124 0.9596 0.9596 2.4724 2.4724 3.0585 3.0585 3.5277 3.5277 4.0982 4.0982 4.1970 4.1970 4.8080 4.8080 5.5109 5.5109 6.1938 6.1938 6.5507 6.5507 7.1642 7.1642 7.5072 7.5072 k = 0.0000 0.0846 0.3278 ( 5746 PWs) bands (ev): -37.4942 -37.4942 -37.4660 -37.4660 -18.8011 -18.8011 -18.6932 -18.6932 -18.4598 -18.4598 -18.3474 -18.3474 -18.2730 -18.2730 -18.2622 -18.2622 -10.8628 -10.8628 -10.7399 -10.7399 -8.2998 -8.2998 -8.1592 -8.1592 0.1156 0.1156 0.4002 0.4002 0.4275 0.4275 0.4861 0.4861 0.9012 0.9012 0.9610 0.9610 2.4696 2.4696 3.0477 3.0477 3.5259 3.5259 4.1087 4.1087 4.1907 4.1907 4.8160 4.8160 5.4962 5.4962 6.1890 6.1890 6.5471 6.5471 7.1806 7.1806 7.5240 7.5240 k = 0.0000 0.0705 0.3278 ( 5748 PWs) bands (ev): -37.4944 -37.4944 -37.4658 -37.4658 -18.8019 -18.8019 -18.6924 -18.6924 -18.4607 -18.4607 -18.3466 -18.3466 -18.2729 -18.2729 -18.2620 -18.2620 -10.8659 -10.8659 -10.7415 -10.7415 -8.2961 -8.2961 -8.1529 -8.1529 0.1221 0.1221 0.3794 0.3794 0.4230 0.4230 0.4957 0.4957 0.8894 0.8894 0.9626 0.9626 2.4680 2.4680 3.0389 3.0389 3.5243 3.5243 4.1178 4.1178 4.1849 4.1849 4.8223 4.8223 5.4836 5.4836 6.1853 6.1853 6.5441 6.5441 7.1952 7.1952 7.5386 7.5386 k = 0.0000 0.0564 0.3278 ( 5746 PWs) bands (ev): -37.4945 -37.4945 -37.4657 -37.4657 -18.8025 -18.8025 -18.6917 -18.6917 -18.4614 -18.4614 -18.3460 -18.3460 -18.2728 -18.2728 -18.2618 -18.2618 -10.8685 -10.8685 -10.7428 -10.7428 -8.2931 -8.2931 -8.1475 -8.1475 0.1297 0.1297 0.3587 0.3587 0.4193 0.4193 0.5061 0.5061 0.8778 0.8778 0.9641 0.9641 2.4674 2.4674 3.0319 3.0319 3.5231 3.5231 4.1255 4.1255 4.1797 4.1797 4.8270 4.8270 5.4732 5.4732 6.1826 6.1826 6.5416 6.5416 7.2076 7.2076 7.5507 7.5507 k = 0.0000 0.0423 0.3278 ( 5746 PWs) bands (ev): -37.4947 -37.4947 -37.4655 -37.4655 -18.8030 -18.8030 -18.6912 -18.6912 -18.4620 -18.4620 -18.3455 -18.3455 -18.2728 -18.2728 -18.2617 -18.2617 -10.8706 -10.8706 -10.7439 -10.7439 -8.2906 -8.2906 -8.1434 -8.1434 0.1376 0.1376 0.3400 0.3400 0.4163 0.4163 0.5156 0.5156 0.8675 0.8675 0.9653 0.9653 2.4673 2.4673 3.0267 3.0267 3.5221 3.5221 4.1316 4.1316 4.1754 4.1754 4.8305 4.8305 5.4650 5.4650 6.1806 6.1806 6.5398 6.5398 7.2176 7.2176 7.5603 7.5603 k = 0.0000 0.0282 0.3278 ( 5746 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8033 -18.8033 -18.6909 -18.6909 -18.4624 -18.4624 -18.3452 -18.3452 -18.2727 -18.2727 -18.2617 -18.2617 -10.8720 -10.8720 -10.7447 -10.7447 -8.2889 -8.2889 -8.1403 -8.1403 0.1449 0.1449 0.3248 0.3248 0.4142 0.4142 0.5232 0.5232 0.8594 0.8594 0.9662 0.9662 2.4674 2.4674 3.0229 3.0230 3.5214 3.5214 4.1361 4.1361 4.1721 4.1721 4.8328 4.8328 5.4592 5.4592 6.1793 6.1793 6.5384 6.5384 7.2249 7.2249 7.5672 7.5672 k = 0.0000 0.0141 0.3278 ( 5740 PWs) bands (ev): -37.4948 -37.4948 -37.4654 -37.4654 -18.8035 -18.8035 -18.6906 -18.6906 -18.4626 -18.4626 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8729 -10.8729 -10.7451 -10.7451 -8.2879 -8.2879 -8.1385 -8.1385 0.1501 0.1501 0.3146 0.3146 0.4129 0.4130 0.5282 0.5282 0.8541 0.8541 0.9667 0.9667 2.4675 2.4675 3.0208 3.0208 3.5210 3.5210 4.1388 4.1388 4.1701 4.1701 4.8342 4.8342 5.4557 5.4557 6.1786 6.1786 6.5376 6.5376 7.2294 7.2294 7.5714 7.5714 k = 0.0000 0.0000 0.3278 ( 5736 PWs) bands (ev): -37.4948 -37.4948 -37.4653 -37.4653 -18.8036 -18.8036 -18.6906 -18.6906 -18.4627 -18.4627 -18.3449 -18.3449 -18.2727 -18.2727 -18.2616 -18.2616 -10.8732 -10.8732 -10.7453 -10.7453 -8.2875 -8.2875 -8.1379 -8.1379 0.1521 0.1521 0.3110 0.3110 0.4125 0.4125 0.5299 0.5299 0.8523 0.8523 0.9669 0.9669 2.4676 2.4676 3.0200 3.0200 3.5209 3.5209 4.1398 4.1398 4.1694 4.1694 4.8346 4.8346 5.4545 5.4545 6.1784 6.1784 6.5373 6.5373 7.2310 7.2310 7.5728 7.5728 k = 0.0000 0.4374-0.0000 ( 5706 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7476 -18.7476 -18.4020 -18.4020 -18.4020 -18.4020 -18.2713 -18.2713 -18.2713 -18.2713 -10.7193 -10.7193 -10.7193 -10.7193 -8.4002 -8.4002 -8.4002 -8.4002 0.2013 0.2013 0.2013 0.2013 0.7290 0.7290 0.7291 0.7291 0.9518 0.9518 0.9518 0.9518 3.5766 3.5766 3.5766 3.5766 3.7045 3.7045 3.7046 3.7046 3.9421 3.9421 3.9421 3.9421 5.9878 5.9878 5.9879 5.9879 6.8427 6.8427 6.8427 6.8427 7.2755 7.2755 k = 0.0000 0.4374 0.0143 ( 5716 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4020 -18.4020 -18.4020 -18.4020 -18.2713 -18.2713 -18.2713 -18.2713 -10.7193 -10.7193 -10.7193 -10.7193 -8.4002 -8.4002 -8.4002 -8.4002 0.2018 0.2019 0.2019 0.2019 0.7290 0.7290 0.7291 0.7291 0.9508 0.9508 0.9509 0.9509 3.5761 3.5761 3.5770 3.5770 3.7043 3.7044 3.7046 3.7047 3.9420 3.9420 3.9425 3.9425 5.9889 5.9890 5.9893 5.9894 6.8427 6.8427 6.8427 6.8427 7.2749 7.2749 k = 0.0000 0.4374 0.0285 ( 5720 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4020 -18.4020 -18.4020 -18.4020 -18.2714 -18.2714 -18.2713 -18.2713 -10.7193 -10.7193 -10.7192 -10.7192 -8.4003 -8.4002 -8.4002 -8.4002 0.2035 0.2036 0.2037 0.2037 0.7289 0.7289 0.7290 0.7290 0.9478 0.9479 0.9481 0.9481 3.5754 3.5754 3.5772 3.5772 3.7041 3.7042 3.7048 3.7048 3.9421 3.9422 3.9431 3.9431 5.9926 5.9927 5.9935 5.9935 6.8429 6.8429 6.8429 6.8429 7.2735 7.2735 k = 0.0000 0.4374 0.0428 ( 5718 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4020 -18.4020 -18.4020 -18.4020 -18.2714 -18.2714 -18.2713 -18.2713 -10.7192 -10.7192 -10.7192 -10.7192 -8.4003 -8.4003 -8.4003 -8.4003 0.2064 0.2064 0.2067 0.2067 0.7288 0.7288 0.7289 0.7289 0.9430 0.9430 0.9433 0.9434 3.5746 3.5747 3.5772 3.5772 3.7039 3.7040 3.7049 3.7049 3.9426 3.9426 3.9440 3.9441 5.9989 5.9989 6.0001 6.0002 6.8433 6.8433 6.8433 6.8433 7.2713 7.2713 k = 0.0000 0.4374 0.0570 ( 5730 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7191 -10.7191 -10.7191 -10.7191 -8.4004 -8.4004 -8.4004 -8.4003 0.2104 0.2104 0.2107 0.2107 0.7286 0.7286 0.7287 0.7287 0.9363 0.9363 0.9368 0.9368 3.5737 3.5738 3.5771 3.5771 3.7037 3.7038 3.7049 3.7050 3.9433 3.9433 3.9452 3.9452 6.0076 6.0076 6.0092 6.0092 6.8438 6.8438 6.8438 6.8438 7.2682 7.2682 k = 0.0000 0.4374 0.0713 ( 5728 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7190 -10.7190 -10.7190 -10.7190 -8.4005 -8.4005 -8.4004 -8.4004 0.2155 0.2155 0.2159 0.2160 0.7283 0.7284 0.7284 0.7284 0.9279 0.9279 0.9284 0.9284 3.5727 3.5727 3.5767 3.5767 3.7035 3.7036 3.7050 3.7050 3.9444 3.9444 3.9466 3.9467 6.0186 6.0186 6.0206 6.0206 6.8444 6.8444 6.8444 6.8444 7.2644 7.2644 k = 0.0000 0.4374 0.0855 ( 5734 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7189 -10.7189 -10.7188 -10.7188 -8.4006 -8.4006 -8.4006 -8.4005 0.2217 0.2218 0.2222 0.2223 0.7280 0.7280 0.7281 0.7281 0.9178 0.9178 0.9184 0.9184 3.5716 3.5716 3.5761 3.5762 3.7033 3.7034 3.7050 3.7050 3.9458 3.9458 3.9483 3.9484 6.0316 6.0316 6.0339 6.0340 6.8451 6.8451 6.8451 6.8451 7.2598 7.2598 k = 0.0000 0.4374 0.0998 ( 5742 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4020 -18.2715 -18.2715 -18.2714 -18.2714 -10.7187 -10.7187 -10.7187 -10.7187 -8.4008 -8.4007 -8.4007 -8.4007 0.2290 0.2291 0.2296 0.2296 0.7277 0.7277 0.7278 0.7278 0.9062 0.9062 0.9069 0.9069 3.5703 3.5703 3.5753 3.5754 3.7031 3.7032 3.7049 3.7050 3.9475 3.9475 3.9503 3.9504 6.0465 6.0465 6.0491 6.0491 6.8459 6.8459 6.8459 6.8459 7.2545 7.2545 k = 0.0000 0.4374 0.1140 ( 5726 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4020 -18.4020 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7186 -10.7185 -10.7185 -10.7185 -8.4009 -8.4009 -8.4008 -8.4008 0.2374 0.2374 0.2380 0.2380 0.7272 0.7272 0.7273 0.7273 0.8931 0.8931 0.8939 0.8939 3.5689 3.5690 3.5743 3.5744 3.7029 3.7030 3.7049 3.7049 3.9495 3.9495 3.9526 3.9526 6.0629 6.0630 6.0659 6.0659 6.8468 6.8468 6.8468 6.8468 7.2485 7.2485 k = 0.0000 0.4374 0.1283 ( 5722 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4020 -18.4020 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7184 -10.7184 -10.7183 -10.7183 -8.4010 -8.4010 -8.4010 -8.4010 0.2467 0.2467 0.2474 0.2474 0.7267 0.7267 0.7268 0.7268 0.8789 0.8789 0.8797 0.8798 3.5675 3.5675 3.5731 3.5731 3.7028 3.7029 3.7048 3.7048 3.9519 3.9519 3.9551 3.9551 6.0807 6.0807 6.0839 6.0839 6.8477 6.8477 6.8477 6.8477 7.2419 7.2419 k = 0.0000 0.4374 0.1425 ( 5726 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2714 -18.2714 -18.2714 -18.2714 -10.7182 -10.7182 -10.7181 -10.7181 -8.4012 -8.4012 -8.4012 -8.4011 0.2569 0.2569 0.2577 0.2577 0.7260 0.7260 0.7261 0.7261 0.8636 0.8636 0.8645 0.8645 3.5659 3.5660 3.5717 3.5717 3.7026 3.7027 3.7046 3.7047 3.9545 3.9545 3.9578 3.9578 6.0994 6.0994 6.1028 6.1028 6.8487 6.8487 6.8487 6.8487 7.2347 7.2347 k = 0.0000 0.4374 0.1568 ( 5734 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2715 -18.2715 -18.2714 -18.2714 -10.7180 -10.7180 -10.7179 -10.7179 -8.4014 -8.4013 -8.4013 -8.4013 0.2680 0.2680 0.2688 0.2688 0.7251 0.7252 0.7252 0.7252 0.8475 0.8475 0.8484 0.8485 3.5643 3.5644 3.5700 3.5701 3.7025 3.7026 3.7045 3.7046 3.9573 3.9574 3.9606 3.9606 6.1188 6.1188 6.1223 6.1223 6.8497 6.8497 6.8497 6.8497 7.2271 7.2271 k = 0.0000 0.4374 0.1710 ( 5730 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2715 -18.2715 -18.2714 -18.2714 -10.7178 -10.7178 -10.7177 -10.7177 -8.4015 -8.4015 -8.4015 -8.4015 0.2799 0.2799 0.2807 0.2807 0.7240 0.7241 0.7241 0.7241 0.8308 0.8308 0.8318 0.8319 3.5627 3.5627 3.5683 3.5683 3.7024 3.7025 3.7043 3.7044 3.9604 3.9604 3.9636 3.9636 6.1385 6.1385 6.1421 6.1421 6.8508 6.8508 6.8508 6.8508 7.2192 7.2192 k = 0.0000 0.4374 0.1853 ( 5734 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2715 -18.2715 -18.2715 -18.2715 -10.7176 -10.7176 -10.7175 -10.7175 -8.4017 -8.4017 -8.4017 -8.4016 0.2924 0.2924 0.2933 0.2933 0.7225 0.7226 0.7226 0.7227 0.8140 0.8140 0.8150 0.8151 3.5611 3.5611 3.5664 3.5665 3.7023 3.7024 3.7041 3.7042 3.9636 3.9636 3.9667 3.9667 6.1581 6.1582 6.1617 6.1618 6.8518 6.8518 6.8518 6.8518 7.2111 7.2111 k = 0.0000 0.4374 0.1995 ( 5730 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2715 -18.2715 -18.2715 -18.2715 -10.7174 -10.7174 -10.7173 -10.7173 -8.4019 -8.4018 -8.4018 -8.4018 0.3054 0.3054 0.3063 0.3063 0.7204 0.7205 0.7205 0.7206 0.7975 0.7975 0.7985 0.7985 3.5595 3.5595 3.5645 3.5646 3.7022 3.7023 3.7040 3.7040 3.9668 3.9668 3.9697 3.9697 6.1774 6.1774 6.1810 6.1810 6.8528 6.8528 6.8528 6.8528 7.2029 7.2029 k = 0.0000 0.4374 0.2138 ( 5728 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4020 -18.4020 -18.2715 -18.2715 -18.2715 -18.2715 -10.7172 -10.7172 -10.7171 -10.7171 -8.4020 -8.4020 -8.4020 -8.4019 0.3188 0.3188 0.3197 0.3197 0.7173 0.7173 0.7174 0.7175 0.7820 0.7820 0.7829 0.7829 3.5579 3.5580 3.5626 3.5626 3.7022 3.7023 3.7038 3.7039 3.9699 3.9700 3.9726 3.9727 6.1959 6.1959 6.1994 6.1994 6.8537 6.8537 6.8537 6.8537 7.1949 7.1949 k = 0.0000 0.4374 0.2281 ( 5734 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2715 -18.2715 -18.2715 -18.2715 -10.7170 -10.7170 -10.7170 -10.7170 -8.4022 -8.4021 -8.4021 -8.4021 0.3323 0.3323 0.3332 0.3332 0.7125 0.7126 0.7128 0.7128 0.7684 0.7684 0.7691 0.7692 3.5565 3.5565 3.5607 3.5608 3.7022 3.7023 3.7036 3.7037 3.9730 3.9730 3.9755 3.9755 6.2134 6.2134 6.2166 6.2166 6.8546 6.8546 6.8546 6.8546 7.1872 7.1872 k = 0.0000 0.4374 0.2423 ( 5734 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2715 -18.2715 -18.2715 -18.2715 -10.7169 -10.7168 -10.7168 -10.7168 -8.4023 -8.4023 -8.4022 -8.4022 0.3456 0.3456 0.3465 0.3465 0.7055 0.7056 0.7059 0.7060 0.7576 0.7576 0.7582 0.7582 3.5552 3.5553 3.5590 3.5590 3.7022 3.7023 3.7034 3.7035 3.9759 3.9759 3.9780 3.9781 6.2293 6.2294 6.2323 6.2323 6.8554 6.8554 6.8554 6.8554 7.1800 7.1801 k = 0.0000 0.4374 0.2566 ( 5732 PWs) bands (ev): -37.4801 -37.4801 -37.4800 -37.4800 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4020 -18.2715 -18.2715 -18.2715 -18.2715 -10.7167 -10.7167 -10.7167 -10.7167 -8.4024 -8.4024 -8.4024 -8.4023 0.3584 0.3584 0.3592 0.3592 0.6964 0.6964 0.6969 0.6969 0.7501 0.7502 0.7506 0.7506 3.5542 3.5542 3.5573 3.5573 3.7022 3.7023 3.7032 3.7033 3.9785 3.9785 3.9803 3.9803 6.2436 6.2436 6.2462 6.2462 6.8561 6.8561 6.8561 6.8561 7.1736 7.1736 k = 0.0000 0.4374 0.2708 ( 5740 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2715 -10.7166 -10.7166 -10.7166 -10.7165 -8.4025 -8.4025 -8.4025 -8.4024 0.3702 0.3702 0.3709 0.3710 0.6861 0.6861 0.6867 0.6867 0.7454 0.7455 0.7457 0.7458 3.5533 3.5533 3.5559 3.5559 3.7022 3.7023 3.7031 3.7032 3.9807 3.9808 3.9822 3.9823 6.2557 6.2557 6.2579 6.2579 6.8567 6.8567 6.8567 6.8567 7.1680 7.1681 k = 0.0000 0.4374 0.2851 ( 5736 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7477 -18.7477 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2715 -18.2715 -10.7165 -10.7165 -10.7165 -10.7165 -8.4026 -8.4026 -8.4025 -8.4025 0.3804 0.3805 0.3810 0.3811 0.6762 0.6762 0.6767 0.6767 0.7426 0.7427 0.7427 0.7428 3.5527 3.5527 3.5546 3.5546 3.7023 3.7024 3.7029 3.7030 3.9826 3.9826 3.9838 3.9838 6.2656 6.2656 6.2673 6.2673 6.8572 6.8572 6.8572 6.8572 7.1636 7.1636 k = 0.0000 0.4374 0.2993 ( 5740 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7478 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2716 -10.7164 -10.7164 -10.7164 -10.7164 -8.4026 -8.4026 -8.4026 -8.4026 0.3885 0.3885 0.3889 0.3890 0.6681 0.6681 0.6685 0.6685 0.7409 0.7410 0.7410 0.7411 3.5523 3.5523 3.5536 3.5536 3.7024 3.7024 3.7028 3.7029 3.9840 3.9841 3.9848 3.9848 6.2729 6.2729 6.2740 6.2740 6.8575 6.8575 6.8575 6.8575 7.1604 7.1604 k = 0.0000 0.4374 0.3136 ( 5740 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7478 -18.7477 -18.7477 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2716 -10.7164 -10.7164 -10.7163 -10.7163 -8.4027 -8.4027 -8.4026 -8.4026 0.3937 0.3937 0.3939 0.3940 0.6628 0.6628 0.6630 0.6630 0.7401 0.7401 0.7401 0.7402 3.5522 3.5522 3.5528 3.5529 3.7024 3.7025 3.7027 3.7028 3.9850 3.9850 3.9854 3.9854 6.2774 6.2774 6.2780 6.2780 6.8577 6.8577 6.8577 6.8577 7.1585 7.1585 k = 0.0000 0.4374 0.3278 ( 5752 PWs) bands (ev): -37.4801 -37.4801 -37.4801 -37.4801 -18.7478 -18.7478 -18.7478 -18.7478 -18.4021 -18.4021 -18.4021 -18.4021 -18.2716 -18.2716 -18.2716 -18.2716 -10.7164 -10.7164 -10.7163 -10.7163 -8.4027 -8.4027 -8.4026 -8.4026 0.3956 0.3956 0.3956 0.3956 0.6610 0.6610 0.6611 0.6611 0.7398 0.7398 0.7399 0.7399 3.5524 3.5524 3.5524 3.5524 3.7025 3.7025 3.7026 3.7026 3.9854 3.9854 3.9855 3.9855 6.2792 6.2792 6.2792 6.2792 6.8577 6.8577 6.8578 6.8578 7.1580 7.1580 k = 0.5000-0.0000 0.3278 ( 5732 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7244 -10.7244 -10.7228 -10.7228 -8.2537 -8.2537 -8.2536 -8.2536 0.0756 0.0756 0.0866 0.0866 0.4588 0.4588 0.4743 0.4743 0.7863 0.7863 0.7928 0.7928 3.1946 3.1946 3.1982 3.1982 3.7712 3.7712 3.7723 3.7723 4.4646 4.4646 4.4670 4.4670 5.3551 5.3551 5.3640 5.3640 6.6884 6.6884 6.6933 6.6933 7.8956 7.8956 k = 0.5000-0.0000 0.3136 ( 5734 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7244 -10.7244 -10.7228 -10.7228 -8.2537 -8.2537 -8.2536 -8.2536 0.0761 0.0761 0.0871 0.0871 0.4587 0.4587 0.4743 0.4743 0.7858 0.7859 0.7924 0.7925 3.1943 3.1943 3.1979 3.1979 3.7701 3.7701 3.7714 3.7715 4.4647 4.4647 4.4677 4.4678 5.3559 5.3559 5.3648 5.3649 6.6887 6.6887 6.6936 6.6936 7.8961 7.8969 k = 0.5000-0.0000 0.2993 ( 5742 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7245 -10.7245 -10.7229 -10.7229 -8.2536 -8.2536 -8.2535 -8.2535 0.0775 0.0775 0.0888 0.0888 0.4587 0.4587 0.4745 0.4745 0.7845 0.7845 0.7914 0.7914 3.1933 3.1933 3.1969 3.1969 3.7670 3.7670 3.7689 3.7689 4.4652 4.4653 4.4697 4.4697 5.3582 5.3582 5.3675 5.3675 6.6895 6.6895 6.6944 6.6944 7.8967 7.8969 k = 0.5000-0.0000 0.2851 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7246 -10.7246 -10.7229 -10.7229 -8.2536 -8.2535 -8.2535 -8.2534 0.0797 0.0798 0.0915 0.0915 0.4586 0.4586 0.4747 0.4747 0.7822 0.7822 0.7897 0.7897 3.1916 3.1916 3.1952 3.1953 3.7621 3.7621 3.7645 3.7645 4.4665 4.4665 4.4725 4.4725 5.3621 5.3621 5.3718 5.3718 6.6908 6.6908 6.6957 6.6957 7.8981 7.8987 k = 0.5000-0.0000 0.2708 ( 5744 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7247 -10.7247 -10.7231 -10.7231 -8.2535 -8.2534 -8.2534 -8.2533 0.0829 0.0829 0.0952 0.0952 0.4584 0.4585 0.4751 0.4751 0.7791 0.7791 0.7873 0.7873 3.1893 3.1893 3.1930 3.1930 3.7555 3.7555 3.7585 3.7585 4.4686 4.4686 4.4760 4.4760 5.3674 5.3674 5.3777 5.3777 6.6926 6.6926 6.6975 6.6975 7.9000 7.9001 k = 0.5000-0.0000 0.2566 ( 5748 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7248 -10.7248 -10.7232 -10.7232 -8.2533 -8.2533 -8.2532 -8.2532 0.0869 0.0869 0.1000 0.1000 0.4583 0.4583 0.4756 0.4756 0.7752 0.7752 0.7841 0.7841 3.1864 3.1864 3.1901 3.1901 3.7475 3.7475 3.7510 3.7510 4.4714 4.4714 4.4801 4.4801 5.3741 5.3741 5.3850 5.3850 6.6949 6.6949 6.6997 6.6997 7.9025 7.9028 k = 0.5000-0.0000 0.2423 ( 5736 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7250 -10.7250 -10.7234 -10.7234 -8.2532 -8.2531 -8.2531 -8.2530 0.0916 0.0916 0.1057 0.1057 0.4582 0.4583 0.4763 0.4763 0.7705 0.7705 0.7802 0.7802 3.1829 3.1829 3.1867 3.1867 3.7382 3.7382 3.7422 3.7422 4.4749 4.4749 4.4847 4.4847 5.3821 5.3821 5.3935 5.3935 6.6975 6.6975 6.7023 6.7023 7.9055 7.9055 k = 0.5000-0.0000 0.2281 ( 5748 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7252 -10.7252 -10.7236 -10.7236 -8.2530 -8.2530 -8.2529 -8.2529 0.0971 0.0971 0.1122 0.1122 0.4582 0.4582 0.4771 0.4771 0.7651 0.7651 0.7755 0.7756 3.1789 3.1789 3.1828 3.1828 3.7280 3.7280 3.7323 3.7323 4.4790 4.4790 4.4897 4.4897 5.3910 5.3911 5.4029 5.4029 6.7004 6.7004 6.7051 6.7051 7.9090 7.9090 k = 0.5000-0.0000 0.2138 ( 5752 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7254 -10.7254 -10.7238 -10.7238 -8.2528 -8.2528 -8.2527 -8.2527 0.1032 0.1032 0.1195 0.1195 0.4583 0.4583 0.4782 0.4782 0.7590 0.7590 0.7702 0.7702 3.1745 3.1745 3.1784 3.1784 3.7170 3.7170 3.7216 3.7216 4.4836 4.4836 4.4949 4.4950 5.4009 5.4009 5.4131 5.4131 6.7035 6.7035 6.7082 6.7082 7.9130 7.9130 k = 0.5000-0.0000 0.1995 ( 5768 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7514 -18.7514 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7256 -10.7256 -10.7240 -10.7240 -8.2526 -8.2526 -8.2525 -8.2524 0.1098 0.1098 0.1274 0.1274 0.4584 0.4584 0.4794 0.4795 0.7522 0.7522 0.7641 0.7641 3.1697 3.1697 3.1737 3.1737 3.7055 3.7056 3.7104 3.7104 4.4886 4.4886 4.5004 4.5004 5.4115 5.4115 5.4238 5.4238 6.7068 6.7068 6.7114 6.7114 7.9174 7.9174 k = 0.5000-0.0000 0.1853 ( 5780 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7514 -18.7514 -18.4250 -18.4250 -18.4154 -18.4154 -18.2760 -18.2760 -18.2614 -18.2614 -10.7258 -10.7258 -10.7242 -10.7242 -8.2524 -8.2524 -8.2523 -8.2522 0.1168 0.1168 0.1359 0.1359 0.4587 0.4588 0.4810 0.4810 0.7449 0.7449 0.7574 0.7574 3.1646 3.1646 3.1686 3.1687 3.6939 3.6939 3.6989 3.6989 4.4939 4.4940 4.5059 4.5059 5.4225 5.4225 5.4349 5.4349 6.7102 6.7102 6.7147 6.7147 7.9222 7.9223 k = 0.5000-0.0000 0.1710 ( 5788 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7514 -18.7514 -18.4250 -18.4250 -18.4154 -18.4154 -18.2760 -18.2760 -18.2614 -18.2614 -10.7261 -10.7261 -10.7245 -10.7245 -8.2522 -8.2522 -8.2520 -8.2520 0.1242 0.1242 0.1449 0.1449 0.4592 0.4593 0.4828 0.4828 0.7371 0.7371 0.7500 0.7501 3.1593 3.1593 3.1634 3.1634 3.6822 3.6822 3.6873 3.6873 4.4995 4.4995 4.5114 4.5115 5.4338 5.4338 5.4461 5.4461 6.7136 6.7136 6.7179 6.7179 7.9274 7.9274 k = 0.5000-0.0000 0.1568 ( 5780 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7514 -18.7514 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7263 -10.7263 -10.7247 -10.7247 -8.2519 -8.2519 -8.2518 -8.2518 0.1317 0.1317 0.1540 0.1541 0.4600 0.4600 0.4849 0.4850 0.7289 0.7289 0.7422 0.7422 3.1539 3.1539 3.1581 3.1581 3.6707 3.6707 3.6759 3.6759 4.5051 4.5051 4.5169 4.5169 5.4451 5.4452 5.4571 5.4571 6.7169 6.7169 6.7211 6.7211 7.9330 7.9330 k = 0.5000-0.0000 0.1425 ( 5784 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7514 -18.7514 -18.4250 -18.4250 -18.4154 -18.4154 -18.2759 -18.2759 -18.2614 -18.2614 -10.7265 -10.7265 -10.7249 -10.7249 -8.2517 -8.2517 -8.2516 -8.2515 0.1392 0.1392 0.1634 0.1634 0.4609 0.4609 0.4874 0.4875 0.7203 0.7204 0.7338 0.7339 3.1485 3.1485 3.1527 3.1527 3.6596 3.6596 3.6649 3.6649 4.5107 4.5107 4.5221 4.5222 5.4563 5.4564 5.4679 5.4679 6.7201 6.7201 6.7240 6.7241 7.9388 7.9388 k = 0.5000-0.0000 0.1283 ( 5774 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7268 -10.7268 -10.7252 -10.7252 -8.2515 -8.2515 -8.2513 -8.2513 0.1466 0.1466 0.1726 0.1726 0.4621 0.4621 0.4903 0.4903 0.7117 0.7117 0.7252 0.7252 3.1432 3.1432 3.1475 3.1475 3.6492 3.6492 3.6545 3.6545 4.5162 4.5162 4.5272 4.5272 5.4672 5.4672 5.4781 5.4781 6.7231 6.7231 6.7268 6.7268 7.9447 7.9448 k = 0.5000-0.0000 0.1140 ( 5770 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7270 -10.7270 -10.7254 -10.7254 -8.2513 -8.2513 -8.2511 -8.2511 0.1537 0.1537 0.1816 0.1816 0.4635 0.4635 0.4934 0.4934 0.7030 0.7030 0.7163 0.7163 3.1381 3.1381 3.1424 3.1424 3.6394 3.6394 3.6448 3.6448 4.5214 4.5215 4.5318 4.5319 5.4775 5.4776 5.4877 5.4877 6.7258 6.7258 6.7294 6.7294 7.9507 7.9508 k = 0.5000-0.0000 0.0998 ( 5778 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7272 -10.7272 -10.7256 -10.7256 -8.2511 -8.2511 -8.2509 -8.2509 0.1604 0.1604 0.1901 0.1901 0.4652 0.4652 0.4968 0.4969 0.6945 0.6946 0.7074 0.7074 3.1333 3.1333 3.1376 3.1376 3.6306 3.6306 3.6359 3.6359 4.5264 4.5264 4.5361 4.5361 5.4871 5.4872 5.4965 5.4965 6.7283 6.7283 6.7316 6.7316 7.9567 7.9567 k = 0.5000-0.0000 0.0855 ( 5778 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2614 -18.2614 -10.7274 -10.7274 -10.7258 -10.7258 -8.2509 -8.2509 -8.2508 -8.2507 0.1665 0.1665 0.1981 0.1981 0.4670 0.4670 0.5005 0.5005 0.6865 0.6865 0.6985 0.6986 3.1289 3.1289 3.1332 3.1332 3.6227 3.6227 3.6280 3.6281 4.5309 4.5309 4.5399 4.5399 5.4959 5.4959 5.5043 5.5043 6.7305 6.7305 6.7335 6.7335 7.9625 7.9625 k = 0.5000-0.0000 0.0713 ( 5772 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7275 -10.7275 -10.7260 -10.7260 -8.2508 -8.2508 -8.2506 -8.2506 0.1719 0.1719 0.2051 0.2052 0.4690 0.4690 0.5041 0.5041 0.6791 0.6792 0.6901 0.6901 3.1250 3.1250 3.1293 3.1293 3.6159 3.6159 3.6212 3.6213 4.5349 4.5349 4.5432 4.5432 5.5037 5.5037 5.5110 5.5110 6.7324 6.7324 6.7351 6.7351 7.9679 7.9679 k = 0.5000-0.0000 0.0570 ( 5776 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4153 -18.4153 -18.2759 -18.2759 -18.2613 -18.2613 -10.7277 -10.7277 -10.7261 -10.7261 -8.2506 -8.2506 -8.2505 -8.2505 0.1765 0.1765 0.2112 0.2112 0.4709 0.4709 0.5077 0.5077 0.6728 0.6728 0.6822 0.6823 3.1217 3.1217 3.1260 3.1260 3.6103 3.6103 3.6156 3.6156 4.5383 4.5383 4.5459 4.5459 5.5103 5.5104 5.5165 5.5165 6.7339 6.7339 6.7364 6.7364 7.9728 7.9728 k = 0.5000-0.0000 0.0428 ( 5780 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4154 -18.4154 -18.2759 -18.2759 -18.2613 -18.2613 -10.7278 -10.7278 -10.7262 -10.7262 -8.2505 -8.2505 -8.2504 -8.2503 0.1802 0.1802 0.2161 0.2161 0.4726 0.4727 0.5108 0.5108 0.6678 0.6678 0.6753 0.6754 3.1190 3.1190 3.1234 3.1234 3.6058 3.6058 3.6111 3.6111 4.5411 4.5411 4.5480 4.5481 5.5157 5.5157 5.5207 5.5207 6.7351 6.7351 6.7374 6.7374 7.9770 7.9771 k = 0.5000-0.0000 0.0285 ( 5778 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4154 -18.4154 -18.2758 -18.2758 -18.2613 -18.2613 -10.7279 -10.7279 -10.7263 -10.7263 -8.2504 -8.2504 -8.2503 -8.2503 0.1829 0.1829 0.2197 0.2198 0.4741 0.4741 0.5133 0.5133 0.6643 0.6644 0.6696 0.6697 3.1171 3.1171 3.1214 3.1214 3.6026 3.6026 3.6079 3.6079 4.5431 4.5431 4.5496 4.5496 5.5198 5.5198 5.5237 5.5237 6.7360 6.7360 6.7381 6.7381 7.9802 7.9803 k = 0.5000-0.0000 0.0143 ( 5776 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7553 -18.7553 -18.7513 -18.7513 -18.4250 -18.4250 -18.4154 -18.4154 -18.2758 -18.2758 -18.2613 -18.2613 -10.7279 -10.7279 -10.7263 -10.7263 -8.2504 -8.2504 -8.2502 -8.2502 0.1845 0.1845 0.2220 0.2220 0.4750 0.4750 0.5150 0.5150 0.6627 0.6628 0.6655 0.6656 3.1159 3.1159 3.1203 3.1203 3.6007 3.6007 3.6060 3.6060 4.5443 4.5443 4.5505 4.5505 5.5223 5.5223 5.5253 5.5254 6.7365 6.7365 6.7385 6.7385 7.9823 7.9824 k = 0.5000-0.0000-0.0000 ( 5750 PWs) bands (ev): -37.4794 -37.4794 -37.4794 -37.4794 -18.7552 -18.7552 -18.7513 -18.7513 -18.4249 -18.4249 -18.4153 -18.4153 -18.2758 -18.2758 -18.2613 -18.2613 -10.7279 -10.7279 -10.7264 -10.7264 -8.2504 -8.2504 -8.2502 -8.2502 0.1851 0.1851 0.2227 0.2227 0.4753 0.4753 0.5155 0.5155 0.6628 0.6628 0.6635 0.6635 3.1155 3.1155 3.1199 3.1199 3.6000 3.6000 3.6053 3.6053 4.5448 4.5448 4.5508 4.5508 5.5232 5.5232 5.5259 5.5259 6.7368 6.7368 6.7387 6.7387 7.9831 7.9841 k = 0.5000 0.4374-0.0000 ( 5708 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4342 -8.4342 -8.4342 -8.4342 0.2526 0.2526 0.2966 0.2966 0.3508 0.3508 0.3835 0.3835 0.9884 0.9884 0.9998 0.9998 3.1602 3.1602 3.1614 3.1614 3.8532 3.8532 3.8636 3.8636 4.2721 4.2721 4.2826 4.2826 6.0909 6.0909 6.0938 6.0938 6.5484 6.5484 6.5586 6.5586 7.6726 7.6730 k = 0.5000 0.4374 0.0143 ( 5712 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4342 -8.4342 -8.4341 -8.4341 0.2506 0.2506 0.2947 0.2947 0.3509 0.3509 0.3842 0.3842 0.9899 0.9899 1.0012 1.0012 3.1610 3.1610 3.1622 3.1623 3.8536 3.8536 3.8640 3.8640 4.2720 4.2721 4.2825 4.2825 6.0898 6.0898 6.0926 6.0926 6.5475 6.5475 6.5577 6.5577 7.6728 7.6734 k = 0.5000 0.4374 0.0285 ( 5716 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4341 -8.4341 -8.4341 -8.4341 0.2449 0.2449 0.2890 0.2890 0.3513 0.3513 0.3860 0.3861 0.9942 0.9942 1.0053 1.0054 3.1635 3.1635 3.1648 3.1648 3.8547 3.8547 3.8651 3.8651 4.2718 4.2718 4.2822 4.2822 6.0865 6.0865 6.0893 6.0893 6.5449 6.5449 6.5550 6.5550 7.6737 7.6742 k = 0.5000 0.4374 0.0428 ( 5716 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4340 -8.4340 -8.4340 -8.4339 0.2360 0.2360 0.2799 0.2799 0.3523 0.3523 0.3883 0.3883 1.0013 1.0013 1.0121 1.0121 3.1676 3.1676 3.1691 3.1691 3.8564 3.8564 3.8670 3.8670 4.2715 4.2715 4.2817 4.2817 6.0810 6.0810 6.0839 6.0839 6.5406 6.5406 6.5507 6.5507 7.6752 7.6755 k = 0.5000 0.4374 0.0570 ( 5708 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4339 -8.4339 -8.4338 -8.4338 0.2246 0.2246 0.2678 0.2678 0.3537 0.3537 0.3905 0.3905 1.0108 1.0108 1.0213 1.0213 3.1732 3.1732 3.1749 3.1749 3.8589 3.8589 3.8696 3.8696 4.2710 4.2710 4.2811 4.2811 6.0736 6.0736 6.0765 6.0765 6.5348 6.5348 6.5448 6.5448 7.6768 7.6779 k = 0.5000 0.4374 0.0713 ( 5708 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6352 -10.6352 -10.6328 -10.6328 -8.4337 -8.4337 -8.4336 -8.4336 0.2112 0.2112 0.2534 0.2534 0.3552 0.3552 0.3923 0.3923 1.0224 1.0225 1.0324 1.0324 3.1802 3.1802 3.1822 3.1822 3.8620 3.8620 3.8729 3.8729 4.2704 4.2704 4.2803 4.2803 6.0643 6.0643 6.0671 6.0672 6.5275 6.5275 6.5374 6.5374 7.6796 7.6806 k = 0.5000 0.4374 0.0855 ( 5704 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6351 -10.6351 -10.6328 -10.6328 -8.4335 -8.4335 -8.4334 -8.4334 0.1964 0.1964 0.2375 0.2375 0.3566 0.3567 0.3936 0.3936 1.0358 1.0358 1.0453 1.0453 3.1886 3.1886 3.1909 3.1910 3.8658 3.8658 3.8768 3.8768 4.2697 4.2697 4.2793 4.2793 6.0533 6.0533 6.0561 6.0561 6.5188 6.5188 6.5286 6.5286 7.6821 7.6837 k = 0.5000 0.4374 0.0998 ( 5700 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4329 -18.4329 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6351 -10.6351 -10.6328 -10.6328 -8.4332 -8.4332 -8.4332 -8.4331 0.1806 0.1806 0.2204 0.2204 0.3578 0.3578 0.3943 0.3943 1.0505 1.0505 1.0594 1.0594 3.1982 3.1982 3.2009 3.2009 3.8701 3.8701 3.8813 3.8813 4.2689 4.2689 4.2782 4.2782 6.0408 6.0408 6.0436 6.0436 6.5089 6.5089 6.5186 6.5186 7.6853 7.6871 k = 0.5000 0.4374 0.1140 ( 5704 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6351 -10.6351 -10.6328 -10.6328 -8.4330 -8.4330 -8.4329 -8.4329 0.1641 0.1641 0.2027 0.2027 0.3586 0.3587 0.3945 0.3946 1.0662 1.0662 1.0744 1.0745 3.2088 3.2088 3.2119 3.2119 3.8749 3.8749 3.8863 3.8863 4.2679 4.2679 4.2768 4.2769 6.0271 6.0271 6.0298 6.0298 6.4981 6.4981 6.5076 6.5076 7.6888 7.6905 k = 0.5000 0.4374 0.1283 ( 5704 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7689 -18.7689 -18.4330 -18.4330 -18.3800 -18.3800 -18.2896 -18.2896 -18.2400 -18.2400 -10.6351 -10.6351 -10.6327 -10.6327 -8.4327 -8.4327 -8.4326 -8.4326 0.1474 0.1474 0.1847 0.1847 0.3592 0.3592 0.3944 0.3944 1.0824 1.0824 1.0900 1.0901 3.2202 3.2202 3.2238 3.2238 3.8801 3.8801 3.8918 3.8918 4.2669 4.2669 4.2754 4.2754 6.0123 6.0124 6.0150 6.0151 6.4864 6.4864 6.4959 6.4959 7.6923 7.6925 k = 0.5000 0.4374 0.1425 ( 5720 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2897 -18.2897 -18.2401 -18.2401 -10.6351 -10.6351 -10.6327 -10.6327 -8.4324 -8.4324 -8.4323 -8.4323 0.1306 0.1306 0.1668 0.1668 0.3594 0.3595 0.3938 0.3938 1.0988 1.0989 1.1059 1.1059 3.2323 3.2323 3.2363 3.2363 3.8857 3.8857 3.8977 3.8977 4.2658 4.2658 4.2738 4.2738 5.9969 5.9969 5.9995 5.9995 6.4742 6.4742 6.4835 6.4835 7.6959 7.6964 k = 0.5000 0.4374 0.1568 ( 5724 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2897 -18.2897 -18.2401 -18.2401 -10.6351 -10.6351 -10.6327 -10.6327 -8.4321 -8.4321 -8.4320 -8.4320 0.1141 0.1141 0.1492 0.1492 0.3594 0.3594 0.3930 0.3931 1.1152 1.1153 1.1216 1.1217 3.2448 3.2448 3.2493 3.2493 3.8915 3.8915 3.9038 3.9038 4.2646 4.2646 4.2722 4.2722 5.9810 5.9810 5.9835 5.9835 6.4616 6.4616 6.4708 6.4708 7.6997 7.7009 k = 0.5000 0.4374 0.1710 ( 5724 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7738 -18.7738 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2897 -18.2897 -18.2401 -18.2401 -10.6351 -10.6351 -10.6327 -10.6327 -8.4318 -8.4318 -8.4317 -8.4316 0.0981 0.0981 0.1322 0.1322 0.3592 0.3592 0.3920 0.3921 1.1312 1.1313 1.1371 1.1371 3.2575 3.2575 3.2626 3.2626 3.8976 3.8976 3.9100 3.9100 4.2634 4.2634 4.2704 4.2704 5.9650 5.9650 5.9673 5.9674 6.4490 6.4490 6.4581 6.4581 7.7031 7.7046 k = 0.5000 0.4374 0.1853 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2897 -18.2897 -18.2401 -18.2401 -10.6350 -10.6350 -10.6327 -10.6327 -8.4315 -8.4314 -8.4313 -8.4313 0.0828 0.0829 0.1160 0.1160 0.3588 0.3588 0.3909 0.3910 1.1466 1.1467 1.1519 1.1519 3.2701 3.2702 3.2758 3.2758 3.9036 3.9036 3.9163 3.9163 4.2622 4.2622 4.2687 4.2687 5.9491 5.9491 5.9513 5.9513 6.4365 6.4365 6.4454 6.4454 7.7062 7.7073 k = 0.5000 0.4374 0.1995 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2897 -18.2897 -18.2402 -18.2402 -10.6350 -10.6350 -10.6327 -10.6327 -8.4312 -8.4311 -8.4310 -8.4310 0.0685 0.0685 0.1008 0.1008 0.3583 0.3583 0.3898 0.3898 1.1612 1.1612 1.1659 1.1659 3.2825 3.2825 3.2887 3.2887 3.9096 3.9096 3.9225 3.9226 4.2610 4.2610 4.2669 4.2669 5.9336 5.9336 5.9356 5.9356 6.4243 6.4243 6.4332 6.4332 7.7094 7.7101 k = 0.5000 0.4374 0.2138 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4309 -8.4309 -8.4307 -8.4307 0.0552 0.0552 0.0868 0.0869 0.3577 0.3577 0.3886 0.3886 1.1747 1.1748 1.1788 1.1789 3.2944 3.2944 3.3011 3.3011 3.9154 3.9155 3.9285 3.9286 4.2598 4.2598 4.2651 4.2651 5.9188 5.9188 5.9207 5.9207 6.4127 6.4127 6.4215 6.4215 7.7121 7.7130 k = 0.5000 0.4374 0.2281 ( 5740 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4306 -8.4306 -8.4305 -8.4305 0.0432 0.0432 0.0742 0.0742 0.3570 0.3571 0.3874 0.3875 1.1871 1.1871 1.1906 1.1907 3.3055 3.3055 3.3127 3.3127 3.9210 3.9210 3.9342 3.9342 4.2587 4.2587 4.2635 4.2635 5.9050 5.9051 5.9067 5.9067 6.4020 6.4020 6.4107 6.4107 7.7145 7.7162 k = 0.5000 0.4374 0.2423 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4304 -8.4303 -8.4302 -8.4302 0.0325 0.0325 0.0629 0.0630 0.3564 0.3564 0.3864 0.3864 1.1981 1.1981 1.2011 1.2011 3.3157 3.3157 3.3233 3.3233 3.9261 3.9261 3.9394 3.9394 4.2578 4.2578 4.2619 4.2619 5.8925 5.8925 5.8939 5.8940 6.3922 6.3922 6.4009 6.4009 7.7171 7.7180 k = 0.5000 0.4374 0.2566 ( 5732 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4301 -8.4301 -8.4300 -8.4300 0.0233 0.0233 0.0533 0.0533 0.3558 0.3558 0.3854 0.3854 1.2076 1.2077 1.2101 1.2102 3.3247 3.3247 3.3327 3.3327 3.9306 3.9306 3.9440 3.9440 4.2569 4.2569 4.2605 4.2605 5.8815 5.8815 5.8827 5.8827 6.3836 6.3836 6.3923 6.3923 7.7188 7.7197 k = 0.5000 0.4374 0.2708 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4299 -8.4299 -8.4298 -8.4298 0.0156 0.0156 0.0452 0.0453 0.3553 0.3553 0.3846 0.3846 1.2156 1.2157 1.2176 1.2176 3.3323 3.3323 3.3407 3.3407 3.9345 3.9345 3.9479 3.9479 4.2561 4.2561 4.2593 4.2593 5.8722 5.8722 5.8731 5.8731 6.3764 6.3764 6.3850 6.3850 7.7204 7.7213 k = 0.5000 0.4374 0.2851 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4298 -8.4298 -8.4297 -8.4297 0.0096 0.0096 0.0389 0.0389 0.3549 0.3549 0.3839 0.3839 1.2220 1.2220 1.2234 1.2235 3.3384 3.3384 3.3471 3.3471 3.9376 3.9376 3.9511 3.9511 4.2556 4.2556 4.2584 4.2584 5.8647 5.8647 5.8654 5.8654 6.3706 6.3706 6.3792 6.3792 7.7214 7.7232 k = 0.5000 0.4374 0.2993 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4297 -8.4297 -8.4296 -8.4296 0.0052 0.0052 0.0344 0.0344 0.3546 0.3546 0.3834 0.3834 1.2266 1.2267 1.2276 1.2276 3.3429 3.3429 3.3518 3.3518 3.9399 3.9399 3.9533 3.9533 4.2551 4.2551 4.2577 4.2577 5.8593 5.8593 5.8598 5.8598 6.3664 6.3664 6.3749 6.3749 7.7228 7.7233 k = 0.5000 0.4374 0.3136 ( 5736 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6350 -10.6350 -10.6326 -10.6326 -8.4296 -8.4296 -8.4295 -8.4295 0.0026 0.0026 0.0316 0.0316 0.3544 0.3544 0.3831 0.3831 1.2295 1.2295 1.2300 1.2301 3.3456 3.3456 3.3547 3.3547 3.9413 3.9413 3.9547 3.9547 4.2549 4.2549 4.2572 4.2572 5.8561 5.8561 5.8563 5.8563 6.3638 6.3638 6.3724 6.3724 7.7230 7.7236 k = 0.5000 0.4374 0.3278 ( 5728 PWs) bands (ev): -37.4793 -37.4793 -37.4793 -37.4793 -18.7739 -18.7739 -18.7690 -18.7690 -18.4330 -18.4330 -18.3800 -18.3800 -18.2898 -18.2898 -18.2402 -18.2402 -10.6349 -10.6349 -10.6326 -10.6326 -8.4296 -8.4296 -8.4295 -8.4295 0.0017 0.0017 0.0307 0.0307 0.3543 0.3543 0.3830 0.3830 1.2306 1.2306 1.2308 1.2308 3.3465 3.3465 3.3556 3.3556 3.9418 3.9418 3.9552 3.9552 4.2548 4.2548 4.2571 4.2571 5.8550 5.8550 5.8551 5.8551 6.3630 6.3630 6.3715 6.3715 7.7234 7.7245 Writing output data file CaCl2.save init_run : 3.94s CPU 13.70s WALL ( 1 calls) electrons : 2213.18s CPU 2229.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.29s WALL ( 1 calls) potinit : 0.50s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 2213.17s CPU 2229.40s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.93s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.25s CPU 0.58s WALL ( 1 calls) newd : 0.48s CPU 0.76s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.21s WALL ( 368 calls) cegterg : 2075.43s CPU 2086.62s WALL ( 1955 calls) Called by sum_band: Called by *egterg: h_psi : 822.00s CPU 843.73s WALL ( 40070 calls) s_psi : 114.56s CPU 115.80s WALL ( 40070 calls) g_psi : 1.85s CPU 2.03s WALL ( 37747 calls) cdiaghg : 833.20s CPU 824.19s WALL ( 38115 calls) cegterg:over : 153.46s CPU 146.74s WALL ( 37747 calls) cegterg:upda : 37.86s CPU 48.89s WALL ( 37747 calls) cegterg:last : 29.47s CPU 30.96s WALL ( 4163 calls) Called by h_psi: h_psi:vloc : 601.16s CPU 619.94s WALL ( 40070 calls) h_psi:vnl : 219.89s CPU 221.46s WALL ( 40070 calls) add_vuspsi : 82.07s CPU 95.86s WALL ( 40070 calls) General routines calbec : 137.67s CPU 125.32s WALL ( 40070 calls) fft : 0.25s CPU 1.70s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 570.13s CPU 586.22s WALL ( 2661584 calls) interpolate : 0.06s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 4.29s WALL ( 736 calls) Parallel routines fft_scatter : 356.04s CPU 354.70s WALL ( 2661607 calls) PWSCF : 38m30.24s CPU 45m31.47s WALL This run was terminated on: 14:54:49 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=