Program PWSCF v.5.1.1 starts on 21Jul2015 at 7: 7: 5 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: ./YGe.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 34 21 6 880 412 68 Max 35 22 7 885 421 73 Sum 1671 1009 303 42385 19949 3299 bravais-lattice index = 14 lattice parameter (alat) = 10.8773 a.u. unit-cell volume = 606.0753 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.877268 celldm(2)= 1.000000 celldm(3)= 0.684677 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.725871 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.725871 0.687831 0.000000 ) a(3) = ( 0.000000 0.000000 0.684677 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.055305 -0.000000 ) b(2) = ( 0.000000 1.453846 -0.000000 ) b(3) = ( 0.000000 0.000000 1.460544 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Y 11.00 88.90590 Y( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3423383 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3423383 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0067374 0.0169052 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0134748 0.0338104 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0202122 0.0507156 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0269496 0.0676207 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0336871 0.0845259 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0404245 0.1014311 -0.0000000), wk = 0.0024155 k( 8) = ( 0.0471619 0.1183363 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0538993 0.1352415 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0606367 0.1521467 -0.0000000), wk = 0.0024155 k( 11) = ( 0.0673741 0.1690518 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0741115 0.1859570 -0.0000000), wk = 0.0024155 k( 13) = ( 0.0808490 0.2028622 -0.0000000), wk = 0.0024155 k( 14) = ( 0.0875864 0.2197674 -0.0000000), wk = 0.0024155 k( 15) = ( 0.0943238 0.2366726 -0.0000000), wk = 0.0024155 k( 16) = ( 0.1010612 0.2535778 -0.0000000), wk = 0.0024155 k( 17) = ( 0.1077986 0.2704830 -0.0000000), wk = 0.0024155 k( 18) = ( 0.1145360 0.2873882 -0.0000000), wk = 0.0024155 k( 19) = ( 0.1212734 0.3042933 -0.0000000), wk = 0.0024155 k( 20) = ( 0.1280109 0.3211985 -0.0000000), wk = 0.0024155 k( 21) = ( 0.1347483 0.3381037 -0.0000000), wk = 0.0024155 k( 22) = ( 0.1414857 0.3550089 -0.0000000), wk = 0.0024155 k( 23) = ( 0.1482231 0.3719141 -0.0000000), wk = 0.0024155 k( 24) = ( 0.1549605 0.3888193 -0.0000000), wk = 0.0024155 k( 25) = ( 0.1616979 0.4057244 -0.0000000), wk = 0.0024155 k( 26) = ( 0.1684353 0.4226296 -0.0000000), wk = 0.0024155 k( 27) = ( 0.1751727 0.4395348 -0.0000000), wk = 0.0024155 k( 28) = ( 0.1819102 0.4564400 -0.0000000), wk = 0.0024155 k( 29) = ( 0.1886476 0.4733452 -0.0000000), wk = 0.0024155 k( 30) = ( 0.1953850 0.4902504 -0.0000000), wk = 0.0024155 k( 31) = ( 0.2021224 0.5071555 -0.0000000), wk = 0.0024155 k( 32) = ( 0.2088598 0.5240607 -0.0000000), wk = 0.0024155 k( 33) = ( 0.2155972 0.5409659 -0.0000000), wk = 0.0024155 k( 34) = ( 0.2223346 0.5578711 -0.0000000), wk = 0.0024155 k( 35) = ( 0.2290721 0.5747763 -0.0000000), wk = 0.0024155 k( 36) = ( 0.2358095 0.5916815 -0.0000000), wk = 0.0024155 k( 37) = ( 0.2425469 0.6085867 -0.0000000), wk = 0.0024155 k( 38) = ( 0.2492843 0.6254919 -0.0000000), wk = 0.0024155 k( 39) = ( 0.2560217 0.6423970 -0.0000000), wk = 0.0024155 k( 40) = ( 0.2627591 0.6593022 -0.0000000), wk = 0.0024155 k( 41) = ( 0.2694965 0.6762074 -0.0000000), wk = 0.0024155 k( 42) = ( 0.2762340 0.6931126 -0.0000000), wk = 0.0024155 k( 43) = ( 0.2829714 0.7100178 -0.0000000), wk = 0.0024155 k( 44) = ( 0.2897088 0.7269230 -0.0000000), wk = 0.0024155 k( 45) = ( 0.2897088 0.7269230 -0.0000000), wk = 0.0024155 k( 46) = ( 0.2716020 0.7269230 -0.0000000), wk = 0.0024155 k( 47) = ( 0.2534952 0.7269230 -0.0000000), wk = 0.0024155 k( 48) = ( 0.2353884 0.7269230 -0.0000000), wk = 0.0024155 k( 49) = ( 0.2172816 0.7269230 -0.0000000), wk = 0.0024155 k( 50) = ( 0.1991748 0.7269230 -0.0000000), wk = 0.0024155 k( 51) = ( 0.1810680 0.7269230 -0.0000000), wk = 0.0024155 k( 52) = ( 0.1629612 0.7269230 -0.0000000), wk = 0.0024155 k( 53) = ( 0.1448544 0.7269230 -0.0000000), wk = 0.0024155 k( 54) = ( 0.1267476 0.7269230 -0.0000000), wk = 0.0024155 k( 55) = ( 0.1086408 0.7269230 -0.0000000), wk = 0.0024155 k( 56) = ( 0.0905340 0.7269230 -0.0000000), wk = 0.0024155 k( 57) = ( 0.0724272 0.7269230 -0.0000000), wk = 0.0024155 k( 58) = ( 0.0543204 0.7269230 -0.0000000), wk = 0.0024155 k( 59) = ( 0.0362136 0.7269230 -0.0000000), wk = 0.0024155 k( 60) = ( 0.0181068 0.7269230 -0.0000000), wk = 0.0024155 k( 61) = ( 0.0000000 0.7269230 -0.0000000), wk = 0.0024155 k( 62) = ( 0.0000000 0.7269230 -0.0000000), wk = 0.0024155 k( 63) = ( 0.0000000 0.7269230 0.0182568), wk = 0.0024155 k( 64) = ( 0.0000000 0.7269230 0.0365136), wk = 0.0024155 k( 65) = ( 0.0000000 0.7269230 0.0547704), wk = 0.0024155 k( 66) = ( 0.0000000 0.7269230 0.0730272), wk = 0.0024155 k( 67) = ( 0.0000000 0.7269230 0.0912840), wk = 0.0024155 k( 68) = ( 0.0000000 0.7269230 0.1095408), wk = 0.0024155 k( 69) = ( 0.0000000 0.7269230 0.1277976), wk = 0.0024155 k( 70) = ( 0.0000000 0.7269230 0.1460544), wk = 0.0024155 k( 71) = ( 0.0000000 0.7269230 0.1643112), wk = 0.0024155 k( 72) = ( 0.0000000 0.7269230 0.1825680), wk = 0.0024155 k( 73) = ( 0.0000000 0.7269230 0.2008248), wk = 0.0024155 k( 74) = ( 0.0000000 0.7269230 0.2190816), wk = 0.0024155 k( 75) = ( 0.0000000 0.7269230 0.2373384), wk = 0.0024155 k( 76) = ( 0.0000000 0.7269230 0.2555952), wk = 0.0024155 k( 77) = ( 0.0000000 0.7269230 0.2738520), wk = 0.0024155 k( 78) = ( 0.0000000 0.7269230 0.2921088), wk = 0.0024155 k( 79) = ( 0.0000000 0.7269230 0.3103655), wk = 0.0024155 k( 80) = ( 0.0000000 0.7269230 0.3286223), wk = 0.0024155 k( 81) = ( 0.0000000 0.7269230 0.3468791), wk = 0.0024155 k( 82) = ( 0.0000000 0.7269230 0.3651359), wk = 0.0024155 k( 83) = ( 0.0000000 0.7269230 0.3833927), wk = 0.0024155 k( 84) = ( 0.0000000 0.7269230 0.4016495), wk = 0.0024155 k( 85) = ( 0.0000000 0.7269230 0.4199063), wk = 0.0024155 k( 86) = ( 0.0000000 0.7269230 0.4381631), wk = 0.0024155 k( 87) = ( 0.0000000 0.7269230 0.4564199), wk = 0.0024155 k( 88) = ( 0.0000000 0.7269230 0.4746767), wk = 0.0024155 k( 89) = ( 0.0000000 0.7269230 0.4929335), wk = 0.0024155 k( 90) = ( 0.0000000 0.7269230 0.5111903), wk = 0.0024155 k( 91) = ( 0.0000000 0.7269230 0.5294471), wk = 0.0024155 k( 92) = ( 0.0000000 0.7269230 0.5477039), wk = 0.0024155 k( 93) = ( 0.0000000 0.7269230 0.5659607), wk = 0.0024155 k( 94) = ( 0.0000000 0.7269230 0.5842175), wk = 0.0024155 k( 95) = ( 0.0000000 0.7269230 0.6024743), wk = 0.0024155 k( 96) = ( 0.0000000 0.7269230 0.6207311), wk = 0.0024155 k( 97) = ( 0.0000000 0.7269230 0.6389879), wk = 0.0024155 k( 98) = ( 0.0000000 0.7269230 0.6572447), wk = 0.0024155 k( 99) = ( 0.0000000 0.7269230 0.6755015), wk = 0.0024155 k( 100) = ( 0.0000000 0.7269230 0.6937583), wk = 0.0024155 k( 101) = ( 0.0000000 0.7269230 0.7120151), wk = 0.0024155 k( 102) = ( 0.0000000 0.7269230 0.7302719), wk = 0.0024155 k( 103) = ( 0.0000000 0.7269230 0.7302719), wk = 0.0024155 k( 104) = ( 0.0181068 0.7269230 0.7302719), wk = 0.0024155 k( 105) = ( 0.0362136 0.7269230 0.7302719), wk = 0.0024155 k( 106) = ( 0.0543204 0.7269230 0.7302719), wk = 0.0024155 k( 107) = ( 0.0724272 0.7269230 0.7302719), wk = 0.0024155 k( 108) = ( 0.0905340 0.7269230 0.7302719), wk = 0.0024155 k( 109) = ( 0.1086408 0.7269230 0.7302719), wk = 0.0024155 k( 110) = ( 0.1267476 0.7269230 0.7302719), wk = 0.0024155 k( 111) = ( 0.1448544 0.7269230 0.7302719), wk = 0.0024155 k( 112) = ( 0.1629612 0.7269230 0.7302719), wk = 0.0024155 k( 113) = ( 0.1810680 0.7269230 0.7302719), wk = 0.0024155 k( 114) = ( 0.1991748 0.7269230 0.7302719), wk = 0.0024155 k( 115) = ( 0.2172816 0.7269230 0.7302719), wk = 0.0024155 k( 116) = ( 0.2353884 0.7269230 0.7302719), wk = 0.0024155 k( 117) = ( 0.2534952 0.7269230 0.7302719), wk = 0.0024155 k( 118) = ( 0.2716020 0.7269230 0.7302719), wk = 0.0024155 k( 119) = ( 0.2897088 0.7269230 0.7302719), wk = 0.0024155 k( 120) = ( 0.2897088 0.7269230 0.7302719), wk = 0.0024155 k( 121) = ( 0.2829714 0.7100178 0.7302719), wk = 0.0024155 k( 122) = ( 0.2762340 0.6931126 0.7302719), wk = 0.0024155 k( 123) = ( 0.2694965 0.6762074 0.7302719), wk = 0.0024155 k( 124) = ( 0.2627591 0.6593022 0.7302719), wk = 0.0024155 k( 125) = ( 0.2560217 0.6423970 0.7302719), wk = 0.0024155 k( 126) = ( 0.2492843 0.6254919 0.7302719), wk = 0.0024155 k( 127) = ( 0.2425469 0.6085867 0.7302719), wk = 0.0024155 k( 128) = ( 0.2358095 0.5916815 0.7302719), wk = 0.0024155 k( 129) = ( 0.2290721 0.5747763 0.7302719), wk = 0.0024155 k( 130) = ( 0.2223346 0.5578711 0.7302719), wk = 0.0024155 k( 131) = ( 0.2155972 0.5409659 0.7302719), wk = 0.0024155 k( 132) = ( 0.2088598 0.5240607 0.7302719), wk = 0.0024155 k( 133) = ( 0.2021224 0.5071555 0.7302719), wk = 0.0024155 k( 134) = ( 0.1953850 0.4902504 0.7302719), wk = 0.0024155 k( 135) = ( 0.1886476 0.4733452 0.7302719), wk = 0.0024155 k( 136) = ( 0.1819102 0.4564400 0.7302719), wk = 0.0024155 k( 137) = ( 0.1751727 0.4395348 0.7302719), wk = 0.0024155 k( 138) = ( 0.1684353 0.4226296 0.7302719), wk = 0.0024155 k( 139) = ( 0.1616979 0.4057244 0.7302719), wk = 0.0024155 k( 140) = ( 0.1549605 0.3888193 0.7302719), wk = 0.0024155 k( 141) = ( 0.1482231 0.3719141 0.7302719), wk = 0.0024155 k( 142) = ( 0.1414857 0.3550089 0.7302719), wk = 0.0024155 k( 143) = ( 0.1347483 0.3381037 0.7302719), wk = 0.0024155 k( 144) = ( 0.1280109 0.3211985 0.7302719), wk = 0.0024155 k( 145) = ( 0.1212734 0.3042933 0.7302719), wk = 0.0024155 k( 146) = ( 0.1145360 0.2873882 0.7302719), wk = 0.0024155 k( 147) = ( 0.1077986 0.2704830 0.7302719), wk = 0.0024155 k( 148) = ( 0.1010612 0.2535778 0.7302719), wk = 0.0024155 k( 149) = ( 0.0943238 0.2366726 0.7302719), wk = 0.0024155 k( 150) = ( 0.0875864 0.2197674 0.7302719), wk = 0.0024155 k( 151) = ( 0.0808490 0.2028622 0.7302719), wk = 0.0024155 k( 152) = ( 0.0741115 0.1859570 0.7302719), wk = 0.0024155 k( 153) = ( 0.0673741 0.1690518 0.7302719), wk = 0.0024155 k( 154) = ( 0.0606367 0.1521467 0.7302719), wk = 0.0024155 k( 155) = ( 0.0538993 0.1352415 0.7302719), wk = 0.0024155 k( 156) = ( 0.0471619 0.1183363 0.7302719), wk = 0.0024155 k( 157) = ( 0.0404245 0.1014311 0.7302719), wk = 0.0024155 k( 158) = ( 0.0336871 0.0845259 0.7302719), wk = 0.0024155 k( 159) = ( 0.0269496 0.0676207 0.7302719), wk = 0.0024155 k( 160) = ( 0.0202122 0.0507156 0.7302719), wk = 0.0024155 k( 161) = ( 0.0134748 0.0338104 0.7302719), wk = 0.0024155 k( 162) = ( 0.0067374 0.0169052 0.7302719), wk = 0.0024155 k( 163) = ( 0.0000000 0.0000000 0.7302719), wk = 0.0024155 k( 164) = ( 0.0000000 0.0000000 0.7302719), wk = 0.0024155 k( 165) = ( 0.0000000 0.0000000 0.7120151), wk = 0.0024155 k( 166) = ( 0.0000000 0.0000000 0.6937583), wk = 0.0024155 k( 167) = ( 0.0000000 0.0000000 0.6755015), wk = 0.0024155 k( 168) = ( 0.0000000 0.0000000 0.6572447), wk = 0.0024155 k( 169) = ( 0.0000000 0.0000000 0.6389879), wk = 0.0024155 k( 170) = ( 0.0000000 0.0000000 0.6207311), wk = 0.0024155 k( 171) = ( 0.0000000 0.0000000 0.6024743), wk = 0.0024155 k( 172) = ( 0.0000000 0.0000000 0.5842175), wk = 0.0024155 k( 173) = ( 0.0000000 0.0000000 0.5659607), wk = 0.0024155 k( 174) = ( 0.0000000 0.0000000 0.5477039), wk = 0.0024155 k( 175) = ( 0.0000000 0.0000000 0.5294471), wk = 0.0024155 k( 176) = ( 0.0000000 0.0000000 0.5111903), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.4929335), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.4746767), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.4564199), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.4381631), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.4199063), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.4016495), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.3833927), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.3651359), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.3468791), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.3286223), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.3103655), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.2921088), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.2738520), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.2555952), wk = 0.0024155 k( 191) = ( 0.0000000 0.0000000 0.2373384), wk = 0.0024155 k( 192) = ( 0.0000000 0.0000000 0.2190816), wk = 0.0024155 k( 193) = ( 0.0000000 0.0000000 0.2008248), wk = 0.0024155 k( 194) = ( 0.0000000 0.0000000 0.1825680), wk = 0.0024155 k( 195) = ( 0.0000000 0.0000000 0.1643112), wk = 0.0024155 k( 196) = ( 0.0000000 0.0000000 0.1460544), wk = 0.0024155 k( 197) = ( 0.0000000 0.0000000 0.1277976), wk = 0.0024155 k( 198) = ( 0.0000000 0.0000000 0.1095408), wk = 0.0024155 k( 199) = ( 0.0000000 0.0000000 0.0912840), wk = 0.0024155 k( 200) = ( 0.0000000 0.0000000 0.0730272), wk = 0.0024155 k( 201) = ( 0.0000000 0.0000000 0.0547704), wk = 0.0024155 k( 202) = ( 0.0000000 0.0000000 0.0365136), wk = 0.0024155 k( 203) = ( 0.0000000 0.0000000 0.0182568), wk = 0.0024155 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 206) = ( -0.0166667 0.0066424 0.0000000), wk = 0.0024155 k( 207) = ( -0.0333333 0.0132847 0.0000000), wk = 0.0024155 k( 208) = ( -0.0500000 0.0199271 0.0000000), wk = 0.0024155 k( 209) = ( -0.0666667 0.0265694 0.0000000), wk = 0.0024155 k( 210) = ( -0.0833333 0.0332118 0.0000000), wk = 0.0024155 k( 211) = ( -0.1000000 0.0398541 0.0000000), wk = 0.0024155 k( 212) = ( -0.1166667 0.0464965 0.0000000), wk = 0.0024155 k( 213) = ( -0.1333333 0.0531388 0.0000000), wk = 0.0024155 k( 214) = ( -0.1500000 0.0597812 0.0000000), wk = 0.0024155 k( 215) = ( -0.1666667 0.0664235 0.0000000), wk = 0.0024155 k( 216) = ( -0.1833333 0.0730659 0.0000000), wk = 0.0024155 k( 217) = ( -0.2000000 0.0797082 0.0000000), wk = 0.0024155 k( 218) = ( -0.2166667 0.0863506 0.0000000), wk = 0.0024155 k( 219) = ( -0.2333333 0.0929930 0.0000000), wk = 0.0024155 k( 220) = ( -0.2500000 0.0996353 0.0000000), wk = 0.0024155 k( 221) = ( -0.2666667 0.1062777 0.0000000), wk = 0.0024155 k( 222) = ( -0.2833333 0.1129200 0.0000000), wk = 0.0024155 k( 223) = ( -0.3000000 0.1195624 0.0000000), wk = 0.0024155 k( 224) = ( -0.3166667 0.1262047 0.0000000), wk = 0.0024155 k( 225) = ( -0.3333333 0.1328471 0.0000000), wk = 0.0024155 k( 226) = ( -0.3500000 0.1394894 0.0000000), wk = 0.0024155 k( 227) = ( -0.3666667 0.1461318 0.0000000), wk = 0.0024155 k( 228) = ( -0.3833333 0.1527741 0.0000000), wk = 0.0024155 k( 229) = ( -0.4000000 0.1594165 0.0000000), wk = 0.0024155 k( 230) = ( -0.4166667 0.1660589 0.0000000), wk = 0.0024155 k( 231) = ( -0.4333333 0.1727012 0.0000000), wk = 0.0024155 k( 232) = ( -0.4500000 0.1793436 0.0000000), wk = 0.0024155 k( 233) = ( -0.4666667 0.1859859 0.0000000), wk = 0.0024155 k( 234) = ( -0.4833333 0.1926283 0.0000000), wk = 0.0024155 k( 235) = ( -0.5000000 0.1992706 0.0000000), wk = 0.0024155 k( 236) = ( -0.5000000 0.1992706 0.0000000), wk = 0.0024155 k( 237) = ( -0.4934284 0.2157598 -0.0000000), wk = 0.0024155 k( 238) = ( -0.4868568 0.2322489 -0.0000000), wk = 0.0024155 k( 239) = ( -0.4802852 0.2487380 -0.0000000), wk = 0.0024155 k( 240) = ( -0.4737136 0.2652272 -0.0000000), wk = 0.0024155 k( 241) = ( -0.4671420 0.2817163 -0.0000000), wk = 0.0024155 k( 242) = ( -0.4605704 0.2982054 -0.0000000), wk = 0.0024155 k( 243) = ( -0.4539988 0.3146946 -0.0000000), wk = 0.0024155 k( 244) = ( -0.4474272 0.3311837 -0.0000000), wk = 0.0024155 k( 245) = ( -0.4408556 0.3476729 -0.0000000), wk = 0.0024155 k( 246) = ( -0.4342840 0.3641620 -0.0000000), wk = 0.0024155 k( 247) = ( -0.4277124 0.3806511 -0.0000000), wk = 0.0024155 k( 248) = ( -0.4211408 0.3971403 -0.0000000), wk = 0.0024155 k( 249) = ( -0.4145692 0.4136294 -0.0000000), wk = 0.0024155 k( 250) = ( -0.4079976 0.4301185 -0.0000000), wk = 0.0024155 k( 251) = ( -0.4014260 0.4466077 -0.0000000), wk = 0.0024155 k( 252) = ( -0.3948544 0.4630968 -0.0000000), wk = 0.0024155 k( 253) = ( -0.3882828 0.4795859 -0.0000000), wk = 0.0024155 k( 254) = ( -0.3817112 0.4960751 -0.0000000), wk = 0.0024155 k( 255) = ( -0.3751396 0.5125642 -0.0000000), wk = 0.0024155 k( 256) = ( -0.3685680 0.5290533 -0.0000000), wk = 0.0024155 k( 257) = ( -0.3619964 0.5455425 -0.0000000), wk = 0.0024155 k( 258) = ( -0.3554248 0.5620316 -0.0000000), wk = 0.0024155 k( 259) = ( -0.3488532 0.5785207 -0.0000000), wk = 0.0024155 k( 260) = ( -0.3422816 0.5950099 -0.0000000), wk = 0.0024155 k( 261) = ( -0.3357100 0.6114990 -0.0000000), wk = 0.0024155 k( 262) = ( -0.3291384 0.6279882 -0.0000000), wk = 0.0024155 k( 263) = ( -0.3225668 0.6444773 -0.0000000), wk = 0.0024155 k( 264) = ( -0.3159952 0.6609664 -0.0000000), wk = 0.0024155 k( 265) = ( -0.3094236 0.6774556 -0.0000000), wk = 0.0024155 k( 266) = ( -0.3028520 0.6939447 -0.0000000), wk = 0.0024155 k( 267) = ( -0.2962804 0.7104338 -0.0000000), wk = 0.0024155 k( 268) = ( -0.2897088 0.7269230 -0.0000000), wk = 0.0024155 k( 269) = ( -0.2897088 0.7269230 -0.0000000), wk = 0.0024155 k( 270) = ( -0.2897088 0.7269230 0.0182568), wk = 0.0024155 k( 271) = ( -0.2897088 0.7269230 0.0365136), wk = 0.0024155 k( 272) = ( -0.2897088 0.7269230 0.0547704), wk = 0.0024155 k( 273) = ( -0.2897088 0.7269230 0.0730272), wk = 0.0024155 k( 274) = ( -0.2897088 0.7269230 0.0912840), wk = 0.0024155 k( 275) = ( -0.2897088 0.7269230 0.1095408), wk = 0.0024155 k( 276) = ( -0.2897088 0.7269230 0.1277976), wk = 0.0024155 k( 277) = ( -0.2897088 0.7269230 0.1460544), wk = 0.0024155 k( 278) = ( -0.2897088 0.7269230 0.1643112), wk = 0.0024155 k( 279) = ( -0.2897088 0.7269230 0.1825680), wk = 0.0024155 k( 280) = ( -0.2897088 0.7269230 0.2008248), wk = 0.0024155 k( 281) = ( -0.2897088 0.7269230 0.2190816), wk = 0.0024155 k( 282) = ( -0.2897088 0.7269230 0.2373384), wk = 0.0024155 k( 283) = ( -0.2897088 0.7269230 0.2555952), wk = 0.0024155 k( 284) = ( -0.2897088 0.7269230 0.2738520), wk = 0.0024155 k( 285) = ( -0.2897088 0.7269230 0.2921088), wk = 0.0024155 k( 286) = ( -0.2897088 0.7269230 0.3103655), wk = 0.0024155 k( 287) = ( -0.2897088 0.7269230 0.3286223), wk = 0.0024155 k( 288) = ( -0.2897088 0.7269230 0.3468791), wk = 0.0024155 k( 289) = ( -0.2897088 0.7269230 0.3651359), wk = 0.0024155 k( 290) = ( -0.2897088 0.7269230 0.3833927), wk = 0.0024155 k( 291) = ( -0.2897088 0.7269230 0.4016495), wk = 0.0024155 k( 292) = ( -0.2897088 0.7269230 0.4199063), wk = 0.0024155 k( 293) = ( -0.2897088 0.7269230 0.4381631), wk = 0.0024155 k( 294) = ( -0.2897088 0.7269230 0.4564199), wk = 0.0024155 k( 295) = ( -0.2897088 0.7269230 0.4746767), wk = 0.0024155 k( 296) = ( -0.2897088 0.7269230 0.4929335), wk = 0.0024155 k( 297) = ( -0.2897088 0.7269230 0.5111903), wk = 0.0024155 k( 298) = ( -0.2897088 0.7269230 0.5294471), wk = 0.0024155 k( 299) = ( -0.2897088 0.7269230 0.5477039), wk = 0.0024155 k( 300) = ( -0.2897088 0.7269230 0.5659607), wk = 0.0024155 k( 301) = ( -0.2897088 0.7269230 0.5842175), wk = 0.0024155 k( 302) = ( -0.2897088 0.7269230 0.6024743), wk = 0.0024155 k( 303) = ( -0.2897088 0.7269230 0.6207311), wk = 0.0024155 k( 304) = ( -0.2897088 0.7269230 0.6389879), wk = 0.0024155 k( 305) = ( -0.2897088 0.7269230 0.6572447), wk = 0.0024155 k( 306) = ( -0.2897088 0.7269230 0.6755015), wk = 0.0024155 k( 307) = ( -0.2897088 0.7269230 0.6937583), wk = 0.0024155 k( 308) = ( -0.2897088 0.7269230 0.7120151), wk = 0.0024155 k( 309) = ( -0.2897088 0.7269230 0.7302719), wk = 0.0024155 k( 310) = ( -0.2897088 0.7269230 0.7302719), wk = 0.0024155 k( 311) = ( -0.2962804 0.7104338 0.7302719), wk = 0.0024155 k( 312) = ( -0.3028520 0.6939447 0.7302719), wk = 0.0024155 k( 313) = ( -0.3094236 0.6774556 0.7302719), wk = 0.0024155 k( 314) = ( -0.3159952 0.6609664 0.7302719), wk = 0.0024155 k( 315) = ( -0.3225668 0.6444773 0.7302719), wk = 0.0024155 k( 316) = ( -0.3291384 0.6279882 0.7302719), wk = 0.0024155 k( 317) = ( -0.3357100 0.6114990 0.7302719), wk = 0.0024155 k( 318) = ( -0.3422816 0.5950099 0.7302719), wk = 0.0024155 k( 319) = ( -0.3488532 0.5785207 0.7302719), wk = 0.0024155 k( 320) = ( -0.3554248 0.5620316 0.7302719), wk = 0.0024155 k( 321) = ( -0.3619964 0.5455425 0.7302719), wk = 0.0024155 k( 322) = ( -0.3685680 0.5290533 0.7302719), wk = 0.0024155 k( 323) = ( -0.3751396 0.5125642 0.7302719), wk = 0.0024155 k( 324) = ( -0.3817112 0.4960751 0.7302719), wk = 0.0024155 k( 325) = ( -0.3882828 0.4795859 0.7302719), wk = 0.0024155 k( 326) = ( -0.3948544 0.4630968 0.7302719), wk = 0.0024155 k( 327) = ( -0.4014260 0.4466077 0.7302719), wk = 0.0024155 k( 328) = ( -0.4079976 0.4301185 0.7302719), wk = 0.0024155 k( 329) = ( -0.4145692 0.4136294 0.7302719), wk = 0.0024155 k( 330) = ( -0.4211408 0.3971403 0.7302719), wk = 0.0024155 k( 331) = ( -0.4277124 0.3806511 0.7302719), wk = 0.0024155 k( 332) = ( -0.4342840 0.3641620 0.7302719), wk = 0.0024155 k( 333) = ( -0.4408556 0.3476729 0.7302719), wk = 0.0024155 k( 334) = ( -0.4474272 0.3311837 0.7302719), wk = 0.0024155 k( 335) = ( -0.4539988 0.3146946 0.7302719), wk = 0.0024155 k( 336) = ( -0.4605704 0.2982054 0.7302719), wk = 0.0024155 k( 337) = ( -0.4671420 0.2817163 0.7302719), wk = 0.0024155 k( 338) = ( -0.4737136 0.2652272 0.7302719), wk = 0.0024155 k( 339) = ( -0.4802852 0.2487380 0.7302719), wk = 0.0024155 k( 340) = ( -0.4868568 0.2322489 0.7302719), wk = 0.0024155 k( 341) = ( -0.4934284 0.2157598 0.7302719), wk = 0.0024155 k( 342) = ( -0.5000000 0.1992706 0.7302719), wk = 0.0024155 k( 343) = ( -0.5000000 0.1992706 0.7302719), wk = 0.0024155 k( 344) = ( -0.5000000 0.1992706 0.7120151), wk = 0.0024155 k( 345) = ( -0.5000000 0.1992706 0.6937583), wk = 0.0024155 k( 346) = ( -0.5000000 0.1992706 0.6755015), wk = 0.0024155 k( 347) = ( -0.5000000 0.1992706 0.6572447), wk = 0.0024155 k( 348) = ( -0.5000000 0.1992706 0.6389879), wk = 0.0024155 k( 349) = ( -0.5000000 0.1992706 0.6207311), wk = 0.0024155 k( 350) = ( -0.5000000 0.1992706 0.6024743), wk = 0.0024155 k( 351) = ( -0.5000000 0.1992706 0.5842175), wk = 0.0024155 k( 352) = ( -0.5000000 0.1992706 0.5659607), wk = 0.0024155 k( 353) = ( -0.5000000 0.1992706 0.5477039), wk = 0.0024155 k( 354) = ( -0.5000000 0.1992706 0.5294471), wk = 0.0024155 k( 355) = ( -0.5000000 0.1992706 0.5111903), wk = 0.0024155 k( 356) = ( -0.5000000 0.1992706 0.4929335), wk = 0.0024155 k( 357) = ( -0.5000000 0.1992706 0.4746767), wk = 0.0024155 k( 358) = ( -0.5000000 0.1992706 0.4564199), wk = 0.0024155 k( 359) = ( -0.5000000 0.1992706 0.4381631), wk = 0.0024155 k( 360) = ( -0.5000000 0.1992706 0.4199063), wk = 0.0024155 k( 361) = ( -0.5000000 0.1992706 0.4016495), wk = 0.0024155 k( 362) = ( -0.5000000 0.1992706 0.3833927), wk = 0.0024155 k( 363) = ( -0.5000000 0.1992706 0.3651359), wk = 0.0024155 k( 364) = ( -0.5000000 0.1992706 0.3468791), wk = 0.0024155 k( 365) = ( -0.5000000 0.1992706 0.3286223), wk = 0.0024155 k( 366) = ( -0.5000000 0.1992706 0.3103655), wk = 0.0024155 k( 367) = ( -0.5000000 0.1992706 0.2921088), wk = 0.0024155 k( 368) = ( -0.5000000 0.1992706 0.2738520), wk = 0.0024155 k( 369) = ( -0.5000000 0.1992706 0.2555952), wk = 0.0024155 k( 370) = ( -0.5000000 0.1992706 0.2373384), wk = 0.0024155 k( 371) = ( -0.5000000 0.1992706 0.2190816), wk = 0.0024155 k( 372) = ( -0.5000000 0.1992706 0.2008248), wk = 0.0024155 k( 373) = ( -0.5000000 0.1992706 0.1825680), wk = 0.0024155 k( 374) = ( -0.5000000 0.1992706 0.1643112), wk = 0.0024155 k( 375) = ( -0.5000000 0.1992706 0.1460544), wk = 0.0024155 k( 376) = ( -0.5000000 0.1992706 0.1277976), wk = 0.0024155 k( 377) = ( -0.5000000 0.1992706 0.1095408), wk = 0.0024155 k( 378) = ( -0.5000000 0.1992706 0.0912840), wk = 0.0024155 k( 379) = ( -0.5000000 0.1992706 0.0730272), wk = 0.0024155 k( 380) = ( -0.5000000 0.1992706 0.0547704), wk = 0.0024155 k( 381) = ( -0.5000000 0.1992706 0.0365136), wk = 0.0024155 k( 382) = ( -0.5000000 0.1992706 0.0182568), wk = 0.0024155 k( 383) = ( -0.5000000 0.1992706 0.0000000), wk = 0.0024155 k( 384) = ( 0.0000000 0.0000000 0.7302719), wk = 0.0024155 k( 385) = ( -0.0166667 0.0066424 0.7302719), wk = 0.0024155 k( 386) = ( -0.0333333 0.0132847 0.7302719), wk = 0.0024155 k( 387) = ( -0.0500000 0.0199271 0.7302719), wk = 0.0024155 k( 388) = ( -0.0666667 0.0265694 0.7302719), wk = 0.0024155 k( 389) = ( -0.0833333 0.0332118 0.7302719), wk = 0.0024155 k( 390) = ( -0.1000000 0.0398541 0.7302719), wk = 0.0024155 k( 391) = ( -0.1166667 0.0464965 0.7302719), wk = 0.0024155 k( 392) = ( -0.1333333 0.0531388 0.7302719), wk = 0.0024155 k( 393) = ( -0.1500000 0.0597812 0.7302719), wk = 0.0024155 k( 394) = ( -0.1666667 0.0664235 0.7302719), wk = 0.0024155 k( 395) = ( -0.1833333 0.0730659 0.7302719), wk = 0.0024155 k( 396) = ( -0.2000000 0.0797082 0.7302719), wk = 0.0024155 k( 397) = ( -0.2166667 0.0863506 0.7302719), wk = 0.0024155 k( 398) = ( -0.2333333 0.0929930 0.7302719), wk = 0.0024155 k( 399) = ( -0.2500000 0.0996353 0.7302719), wk = 0.0024155 k( 400) = ( -0.2666667 0.1062777 0.7302719), wk = 0.0024155 k( 401) = ( -0.2833333 0.1129200 0.7302719), wk = 0.0024155 k( 402) = ( -0.3000000 0.1195624 0.7302719), wk = 0.0024155 k( 403) = ( -0.3166667 0.1262047 0.7302719), wk = 0.0024155 k( 404) = ( -0.3333333 0.1328471 0.7302719), wk = 0.0024155 k( 405) = ( -0.3500000 0.1394894 0.7302719), wk = 0.0024155 k( 406) = ( -0.3666667 0.1461318 0.7302719), wk = 0.0024155 k( 407) = ( -0.3833333 0.1527741 0.7302719), wk = 0.0024155 k( 408) = ( -0.4000000 0.1594165 0.7302719), wk = 0.0024155 k( 409) = ( -0.4166667 0.1660589 0.7302719), wk = 0.0024155 k( 410) = ( -0.4333333 0.1727012 0.7302719), wk = 0.0024155 k( 411) = ( -0.4500000 0.1793436 0.7302719), wk = 0.0024155 k( 412) = ( -0.4666667 0.1859859 0.7302719), wk = 0.0024155 k( 413) = ( -0.4833333 0.1926283 0.7302719), wk = 0.0024155 k( 414) = ( -0.5000000 0.1992706 0.7302719), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0067374 0.0067374 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0134748 0.0134748 0.0000000), wk = 0.0024155 k( 4) = ( 0.0202122 0.0202122 0.0000000), wk = 0.0024155 k( 5) = ( 0.0269496 0.0269496 0.0000000), wk = 0.0024155 k( 6) = ( 0.0336871 0.0336871 0.0000000), wk = 0.0024155 k( 7) = ( 0.0404245 0.0404245 0.0000000), wk = 0.0024155 k( 8) = ( 0.0471619 0.0471619 0.0000000), wk = 0.0024155 k( 9) = ( 0.0538993 0.0538993 0.0000000), wk = 0.0024155 k( 10) = ( 0.0606367 0.0606367 0.0000000), wk = 0.0024155 k( 11) = ( 0.0673741 0.0673741 0.0000000), wk = 0.0024155 k( 12) = ( 0.0741115 0.0741115 0.0000000), wk = 0.0024155 k( 13) = ( 0.0808490 0.0808490 0.0000000), wk = 0.0024155 k( 14) = ( 0.0875864 0.0875864 0.0000000), wk = 0.0024155 k( 15) = ( 0.0943238 0.0943238 0.0000000), wk = 0.0024155 k( 16) = ( 0.1010612 0.1010612 0.0000000), wk = 0.0024155 k( 17) = ( 0.1077986 0.1077986 0.0000000), wk = 0.0024155 k( 18) = ( 0.1145360 0.1145360 0.0000000), wk = 0.0024155 k( 19) = ( 0.1212734 0.1212734 0.0000000), wk = 0.0024155 k( 20) = ( 0.1280109 0.1280109 0.0000000), wk = 0.0024155 k( 21) = ( 0.1347483 0.1347483 0.0000000), wk = 0.0024155 k( 22) = ( 0.1414857 0.1414857 0.0000000), wk = 0.0024155 k( 23) = ( 0.1482231 0.1482231 0.0000000), wk = 0.0024155 k( 24) = ( 0.1549605 0.1549605 0.0000000), wk = 0.0024155 k( 25) = ( 0.1616979 0.1616979 0.0000000), wk = 0.0024155 k( 26) = ( 0.1684353 0.1684353 0.0000000), wk = 0.0024155 k( 27) = ( 0.1751727 0.1751727 0.0000000), wk = 0.0024155 k( 28) = ( 0.1819102 0.1819102 -0.0000000), wk = 0.0024155 k( 29) = ( 0.1886476 0.1886476 0.0000000), wk = 0.0024155 k( 30) = ( 0.1953850 0.1953850 0.0000000), wk = 0.0024155 k( 31) = ( 0.2021224 0.2021224 0.0000000), wk = 0.0024155 k( 32) = ( 0.2088598 0.2088598 0.0000000), wk = 0.0024155 k( 33) = ( 0.2155972 0.2155972 0.0000000), wk = 0.0024155 k( 34) = ( 0.2223346 0.2223346 0.0000000), wk = 0.0024155 k( 35) = ( 0.2290721 0.2290721 0.0000000), wk = 0.0024155 k( 36) = ( 0.2358095 0.2358095 0.0000000), wk = 0.0024155 k( 37) = ( 0.2425469 0.2425469 0.0000000), wk = 0.0024155 k( 38) = ( 0.2492843 0.2492843 -0.0000000), wk = 0.0024155 k( 39) = ( 0.2560217 0.2560217 0.0000000), wk = 0.0024155 k( 40) = ( 0.2627591 0.2627591 -0.0000000), wk = 0.0024155 k( 41) = ( 0.2694965 0.2694965 0.0000000), wk = 0.0024155 k( 42) = ( 0.2762340 0.2762339 0.0000000), wk = 0.0024155 k( 43) = ( 0.2829714 0.2829714 0.0000000), wk = 0.0024155 k( 44) = ( 0.2897088 0.2897088 0.0000000), wk = 0.0024155 k( 45) = ( 0.2897088 0.2897088 0.0000000), wk = 0.0024155 k( 46) = ( 0.2716020 0.3028520 0.0000000), wk = 0.0024155 k( 47) = ( 0.2534952 0.3159952 0.0000000), wk = 0.0024155 k( 48) = ( 0.2353884 0.3291384 0.0000000), wk = 0.0024155 k( 49) = ( 0.2172816 0.3422816 0.0000000), wk = 0.0024155 k( 50) = ( 0.1991748 0.3554248 0.0000000), wk = 0.0024155 k( 51) = ( 0.1810680 0.3685680 0.0000000), wk = 0.0024155 k( 52) = ( 0.1629612 0.3817112 0.0000000), wk = 0.0024155 k( 53) = ( 0.1448544 0.3948544 0.0000000), wk = 0.0024155 k( 54) = ( 0.1267476 0.4079976 0.0000000), wk = 0.0024155 k( 55) = ( 0.1086408 0.4211408 0.0000000), wk = 0.0024155 k( 56) = ( 0.0905340 0.4342840 0.0000000), wk = 0.0024155 k( 57) = ( 0.0724272 0.4474272 0.0000000), wk = 0.0024155 k( 58) = ( 0.0543204 0.4605704 0.0000000), wk = 0.0024155 k( 59) = ( 0.0362136 0.4737136 0.0000000), wk = 0.0024155 k( 60) = ( 0.0181068 0.4868568 0.0000000), wk = 0.0024155 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 63) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0024155 k( 64) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0024155 k( 65) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0024155 k( 66) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024155 k( 67) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0024155 k( 68) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0024155 k( 69) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0024155 k( 70) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024155 k( 71) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0024155 k( 72) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024155 k( 73) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0024155 k( 74) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024155 k( 75) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0024155 k( 76) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0024155 k( 77) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0024155 k( 78) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024155 k( 79) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0024155 k( 80) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0024155 k( 81) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0024155 k( 82) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024155 k( 83) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0024155 k( 84) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0024155 k( 85) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0024155 k( 86) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024155 k( 87) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0024155 k( 88) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0024155 k( 89) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0024155 k( 90) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024155 k( 91) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0024155 k( 92) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024155 k( 93) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0024155 k( 94) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024155 k( 95) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0024155 k( 96) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0024155 k( 97) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0024155 k( 98) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024155 k( 99) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0024155 k( 100) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0024155 k( 101) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0024155 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 104) = ( 0.0181068 0.4868568 0.5000000), wk = 0.0024155 k( 105) = ( 0.0362136 0.4737136 0.5000000), wk = 0.0024155 k( 106) = ( 0.0543204 0.4605704 0.5000000), wk = 0.0024155 k( 107) = ( 0.0724272 0.4474272 0.5000000), wk = 0.0024155 k( 108) = ( 0.0905340 0.4342840 0.5000000), wk = 0.0024155 k( 109) = ( 0.1086408 0.4211408 0.5000000), wk = 0.0024155 k( 110) = ( 0.1267476 0.4079976 0.5000000), wk = 0.0024155 k( 111) = ( 0.1448544 0.3948544 0.5000000), wk = 0.0024155 k( 112) = ( 0.1629612 0.3817112 0.5000000), wk = 0.0024155 k( 113) = ( 0.1810680 0.3685680 0.5000000), wk = 0.0024155 k( 114) = ( 0.1991748 0.3554248 0.5000000), wk = 0.0024155 k( 115) = ( 0.2172816 0.3422816 0.5000000), wk = 0.0024155 k( 116) = ( 0.2353884 0.3291384 0.5000000), wk = 0.0024155 k( 117) = ( 0.2534952 0.3159952 0.5000000), wk = 0.0024155 k( 118) = ( 0.2716020 0.3028520 0.5000000), wk = 0.0024155 k( 119) = ( 0.2897088 0.2897088 0.5000000), wk = 0.0024155 k( 120) = ( 0.2897088 0.2897088 0.5000000), wk = 0.0024155 k( 121) = ( 0.2829714 0.2829714 0.5000000), wk = 0.0024155 k( 122) = ( 0.2762340 0.2762339 0.5000000), wk = 0.0024155 k( 123) = ( 0.2694965 0.2694965 0.5000000), wk = 0.0024155 k( 124) = ( 0.2627591 0.2627591 0.5000000), wk = 0.0024155 k( 125) = ( 0.2560217 0.2560217 0.5000000), wk = 0.0024155 k( 126) = ( 0.2492843 0.2492843 0.5000000), wk = 0.0024155 k( 127) = ( 0.2425469 0.2425469 0.5000000), wk = 0.0024155 k( 128) = ( 0.2358095 0.2358095 0.5000000), wk = 0.0024155 k( 129) = ( 0.2290721 0.2290721 0.5000000), wk = 0.0024155 k( 130) = ( 0.2223346 0.2223346 0.5000000), wk = 0.0024155 k( 131) = ( 0.2155972 0.2155972 0.5000000), wk = 0.0024155 k( 132) = ( 0.2088598 0.2088598 0.5000000), wk = 0.0024155 k( 133) = ( 0.2021224 0.2021224 0.5000000), wk = 0.0024155 k( 134) = ( 0.1953850 0.1953850 0.5000000), wk = 0.0024155 k( 135) = ( 0.1886476 0.1886476 0.5000000), wk = 0.0024155 k( 136) = ( 0.1819102 0.1819102 0.5000000), wk = 0.0024155 k( 137) = ( 0.1751727 0.1751727 0.5000000), wk = 0.0024155 k( 138) = ( 0.1684353 0.1684353 0.5000000), wk = 0.0024155 k( 139) = ( 0.1616979 0.1616979 0.5000000), wk = 0.0024155 k( 140) = ( 0.1549605 0.1549605 0.5000000), wk = 0.0024155 k( 141) = ( 0.1482231 0.1482231 0.5000000), wk = 0.0024155 k( 142) = ( 0.1414857 0.1414857 0.5000000), wk = 0.0024155 k( 143) = ( 0.1347483 0.1347483 0.5000000), wk = 0.0024155 k( 144) = ( 0.1280109 0.1280109 0.5000000), wk = 0.0024155 k( 145) = ( 0.1212734 0.1212734 0.5000000), wk = 0.0024155 k( 146) = ( 0.1145360 0.1145360 0.5000000), wk = 0.0024155 k( 147) = ( 0.1077986 0.1077986 0.5000000), wk = 0.0024155 k( 148) = ( 0.1010612 0.1010612 0.5000000), wk = 0.0024155 k( 149) = ( 0.0943238 0.0943238 0.5000000), wk = 0.0024155 k( 150) = ( 0.0875864 0.0875864 0.5000000), wk = 0.0024155 k( 151) = ( 0.0808490 0.0808490 0.5000000), wk = 0.0024155 k( 152) = ( 0.0741115 0.0741115 0.5000000), wk = 0.0024155 k( 153) = ( 0.0673741 0.0673741 0.5000000), wk = 0.0024155 k( 154) = ( 0.0606367 0.0606367 0.5000000), wk = 0.0024155 k( 155) = ( 0.0538993 0.0538993 0.5000000), wk = 0.0024155 k( 156) = ( 0.0471619 0.0471619 0.5000000), wk = 0.0024155 k( 157) = ( 0.0404245 0.0404245 0.5000000), wk = 0.0024155 k( 158) = ( 0.0336871 0.0336871 0.5000000), wk = 0.0024155 k( 159) = ( 0.0269496 0.0269496 0.5000000), wk = 0.0024155 k( 160) = ( 0.0202122 0.0202122 0.5000000), wk = 0.0024155 k( 161) = ( 0.0134748 0.0134748 0.5000000), wk = 0.0024155 k( 162) = ( 0.0067374 0.0067374 0.5000000), wk = 0.0024155 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 165) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0024155 k( 166) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024155 k( 167) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0024155 k( 168) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024155 k( 169) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024155 k( 170) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024155 k( 171) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0024155 k( 172) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024155 k( 173) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0024155 k( 174) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024155 k( 175) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0024155 k( 176) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024155 k( 191) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0024155 k( 192) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024155 k( 193) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0024155 k( 194) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024155 k( 195) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0024155 k( 196) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024155 k( 197) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0024155 k( 198) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024155 k( 199) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024155 k( 200) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024155 k( 201) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0024155 k( 202) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024155 k( 203) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0024155 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 206) = ( -0.0166667 0.0166667 0.0000000), wk = 0.0024155 k( 207) = ( -0.0333333 0.0333333 0.0000000), wk = 0.0024155 k( 208) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0024155 k( 209) = ( -0.0666667 0.0666667 0.0000000), wk = 0.0024155 k( 210) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0024155 k( 211) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0024155 k( 212) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0024155 k( 213) = ( -0.1333333 0.1333333 0.0000000), wk = 0.0024155 k( 214) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0024155 k( 215) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024155 k( 216) = ( -0.1833333 0.1833333 0.0000000), wk = 0.0024155 k( 217) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0024155 k( 218) = ( -0.2166667 0.2166667 0.0000000), wk = 0.0024155 k( 219) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0024155 k( 220) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024155 k( 221) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0024155 k( 222) = ( -0.2833333 0.2833333 0.0000000), wk = 0.0024155 k( 223) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0024155 k( 224) = ( -0.3166667 0.3166667 0.0000000), wk = 0.0024155 k( 225) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0024155 k( 226) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0024155 k( 227) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0024155 k( 228) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0024155 k( 229) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0024155 k( 230) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0024155 k( 231) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0024155 k( 232) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0024155 k( 233) = ( -0.4666667 0.4666667 0.0000000), wk = 0.0024155 k( 234) = ( -0.4833333 0.4833333 0.0000000), wk = 0.0024155 k( 235) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 236) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 237) = ( -0.4934284 0.5065716 0.0000000), wk = 0.0024155 k( 238) = ( -0.4868568 0.5131432 -0.0000000), wk = 0.0024155 k( 239) = ( -0.4802852 0.5197148 -0.0000000), wk = 0.0024155 k( 240) = ( -0.4737136 0.5262864 0.0000000), wk = 0.0024155 k( 241) = ( -0.4671420 0.5328580 0.0000000), wk = 0.0024155 k( 242) = ( -0.4605704 0.5394296 0.0000000), wk = 0.0024155 k( 243) = ( -0.4539988 0.5460012 0.0000000), wk = 0.0024155 k( 244) = ( -0.4474272 0.5525728 0.0000000), wk = 0.0024155 k( 245) = ( -0.4408556 0.5591444 0.0000000), wk = 0.0024155 k( 246) = ( -0.4342840 0.5657160 0.0000000), wk = 0.0024155 k( 247) = ( -0.4277124 0.5722876 0.0000000), wk = 0.0024155 k( 248) = ( -0.4211408 0.5788592 0.0000000), wk = 0.0024155 k( 249) = ( -0.4145692 0.5854308 0.0000000), wk = 0.0024155 k( 250) = ( -0.4079976 0.5920024 0.0000000), wk = 0.0024155 k( 251) = ( -0.4014260 0.5985740 0.0000000), wk = 0.0024155 k( 252) = ( -0.3948544 0.6051456 0.0000000), wk = 0.0024155 k( 253) = ( -0.3882828 0.6117172 0.0000000), wk = 0.0024155 k( 254) = ( -0.3817112 0.6182888 -0.0000000), wk = 0.0024155 k( 255) = ( -0.3751396 0.6248604 -0.0000000), wk = 0.0024155 k( 256) = ( -0.3685680 0.6314320 0.0000000), wk = 0.0024155 k( 257) = ( -0.3619964 0.6380036 0.0000000), wk = 0.0024155 k( 258) = ( -0.3554248 0.6445752 0.0000000), wk = 0.0024155 k( 259) = ( -0.3488532 0.6511468 0.0000000), wk = 0.0024155 k( 260) = ( -0.3422816 0.6577184 -0.0000000), wk = 0.0024155 k( 261) = ( -0.3357100 0.6642900 0.0000000), wk = 0.0024155 k( 262) = ( -0.3291384 0.6708616 0.0000000), wk = 0.0024155 k( 263) = ( -0.3225668 0.6774332 -0.0000000), wk = 0.0024155 k( 264) = ( -0.3159952 0.6840048 -0.0000000), wk = 0.0024155 k( 265) = ( -0.3094236 0.6905764 0.0000000), wk = 0.0024155 k( 266) = ( -0.3028520 0.6971480 -0.0000000), wk = 0.0024155 k( 267) = ( -0.2962804 0.7037196 0.0000000), wk = 0.0024155 k( 268) = ( -0.2897088 0.7102912 -0.0000000), wk = 0.0024155 k( 269) = ( -0.2897088 0.7102912 -0.0000000), wk = 0.0024155 k( 270) = ( -0.2897088 0.7102912 0.0125000), wk = 0.0024155 k( 271) = ( -0.2897088 0.7102912 0.0250000), wk = 0.0024155 k( 272) = ( -0.2897088 0.7102912 0.0375000), wk = 0.0024155 k( 273) = ( -0.2897088 0.7102912 0.0500000), wk = 0.0024155 k( 274) = ( -0.2897088 0.7102912 0.0625000), wk = 0.0024155 k( 275) = ( -0.2897088 0.7102912 0.0750000), wk = 0.0024155 k( 276) = ( -0.2897088 0.7102912 0.0875000), wk = 0.0024155 k( 277) = ( -0.2897088 0.7102912 0.1000000), wk = 0.0024155 k( 278) = ( -0.2897088 0.7102912 0.1125000), wk = 0.0024155 k( 279) = ( -0.2897088 0.7102912 0.1250000), wk = 0.0024155 k( 280) = ( -0.2897088 0.7102912 0.1375000), wk = 0.0024155 k( 281) = ( -0.2897088 0.7102912 0.1500000), wk = 0.0024155 k( 282) = ( -0.2897088 0.7102912 0.1625000), wk = 0.0024155 k( 283) = ( -0.2897088 0.7102912 0.1750000), wk = 0.0024155 k( 284) = ( -0.2897088 0.7102912 0.1875000), wk = 0.0024155 k( 285) = ( -0.2897088 0.7102912 0.2000000), wk = 0.0024155 k( 286) = ( -0.2897088 0.7102912 0.2125000), wk = 0.0024155 k( 287) = ( -0.2897088 0.7102912 0.2250000), wk = 0.0024155 k( 288) = ( -0.2897088 0.7102912 0.2375000), wk = 0.0024155 k( 289) = ( -0.2897088 0.7102912 0.2500000), wk = 0.0024155 k( 290) = ( -0.2897088 0.7102912 0.2625000), wk = 0.0024155 k( 291) = ( -0.2897088 0.7102912 0.2750000), wk = 0.0024155 k( 292) = ( -0.2897088 0.7102912 0.2875000), wk = 0.0024155 k( 293) = ( -0.2897088 0.7102912 0.3000000), wk = 0.0024155 k( 294) = ( -0.2897088 0.7102912 0.3125000), wk = 0.0024155 k( 295) = ( -0.2897088 0.7102912 0.3250000), wk = 0.0024155 k( 296) = ( -0.2897088 0.7102912 0.3375000), wk = 0.0024155 k( 297) = ( -0.2897088 0.7102912 0.3500000), wk = 0.0024155 k( 298) = ( -0.2897088 0.7102912 0.3625000), wk = 0.0024155 k( 299) = ( -0.2897088 0.7102912 0.3750000), wk = 0.0024155 k( 300) = ( -0.2897088 0.7102912 0.3875000), wk = 0.0024155 k( 301) = ( -0.2897088 0.7102912 0.4000000), wk = 0.0024155 k( 302) = ( -0.2897088 0.7102912 0.4125000), wk = 0.0024155 k( 303) = ( -0.2897088 0.7102912 0.4250000), wk = 0.0024155 k( 304) = ( -0.2897088 0.7102912 0.4375000), wk = 0.0024155 k( 305) = ( -0.2897088 0.7102912 0.4500000), wk = 0.0024155 k( 306) = ( -0.2897088 0.7102912 0.4625000), wk = 0.0024155 k( 307) = ( -0.2897088 0.7102912 0.4750000), wk = 0.0024155 k( 308) = ( -0.2897088 0.7102912 0.4875000), wk = 0.0024155 k( 309) = ( -0.2897088 0.7102912 0.5000000), wk = 0.0024155 k( 310) = ( -0.2897088 0.7102912 0.5000000), wk = 0.0024155 k( 311) = ( -0.2962804 0.7037196 0.5000000), wk = 0.0024155 k( 312) = ( -0.3028520 0.6971480 0.5000000), wk = 0.0024155 k( 313) = ( -0.3094236 0.6905764 0.5000000), wk = 0.0024155 k( 314) = ( -0.3159952 0.6840048 0.5000000), wk = 0.0024155 k( 315) = ( -0.3225668 0.6774332 0.5000000), wk = 0.0024155 k( 316) = ( -0.3291384 0.6708616 0.5000000), wk = 0.0024155 k( 317) = ( -0.3357100 0.6642900 0.5000000), wk = 0.0024155 k( 318) = ( -0.3422816 0.6577184 0.5000000), wk = 0.0024155 k( 319) = ( -0.3488532 0.6511468 0.5000000), wk = 0.0024155 k( 320) = ( -0.3554248 0.6445752 0.5000000), wk = 0.0024155 k( 321) = ( -0.3619964 0.6380036 0.5000000), wk = 0.0024155 k( 322) = ( -0.3685680 0.6314320 0.5000000), wk = 0.0024155 k( 323) = ( -0.3751396 0.6248604 0.5000000), wk = 0.0024155 k( 324) = ( -0.3817112 0.6182888 0.5000000), wk = 0.0024155 k( 325) = ( -0.3882828 0.6117172 0.5000000), wk = 0.0024155 k( 326) = ( -0.3948544 0.6051456 0.5000000), wk = 0.0024155 k( 327) = ( -0.4014260 0.5985740 0.5000000), wk = 0.0024155 k( 328) = ( -0.4079976 0.5920024 0.5000000), wk = 0.0024155 k( 329) = ( -0.4145692 0.5854308 0.5000000), wk = 0.0024155 k( 330) = ( -0.4211408 0.5788592 0.5000000), wk = 0.0024155 k( 331) = ( -0.4277124 0.5722876 0.5000000), wk = 0.0024155 k( 332) = ( -0.4342840 0.5657160 0.5000000), wk = 0.0024155 k( 333) = ( -0.4408556 0.5591444 0.5000000), wk = 0.0024155 k( 334) = ( -0.4474272 0.5525728 0.5000000), wk = 0.0024155 k( 335) = ( -0.4539988 0.5460012 0.5000000), wk = 0.0024155 k( 336) = ( -0.4605704 0.5394296 0.5000000), wk = 0.0024155 k( 337) = ( -0.4671420 0.5328580 0.5000000), wk = 0.0024155 k( 338) = ( -0.4737136 0.5262864 0.5000000), wk = 0.0024155 k( 339) = ( -0.4802852 0.5197148 0.5000000), wk = 0.0024155 k( 340) = ( -0.4868568 0.5131432 0.5000000), wk = 0.0024155 k( 341) = ( -0.4934284 0.5065716 0.5000000), wk = 0.0024155 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 343) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 344) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0024155 k( 345) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0024155 k( 346) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0024155 k( 347) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0024155 k( 348) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0024155 k( 349) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0024155 k( 350) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0024155 k( 351) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024155 k( 352) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0024155 k( 353) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024155 k( 354) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0024155 k( 355) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0024155 k( 356) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0024155 k( 357) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0024155 k( 358) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0024155 k( 359) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024155 k( 360) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0024155 k( 361) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0024155 k( 362) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0024155 k( 363) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024155 k( 364) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0024155 k( 365) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0024155 k( 366) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0024155 k( 367) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024155 k( 368) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0024155 k( 369) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0024155 k( 370) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0024155 k( 371) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0024155 k( 372) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0024155 k( 373) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024155 k( 374) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0024155 k( 375) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024155 k( 376) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0024155 k( 377) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0024155 k( 378) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0024155 k( 379) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0024155 k( 380) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0024155 k( 381) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0024155 k( 382) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0024155 k( 383) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 384) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 385) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0024155 k( 386) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0024155 k( 387) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0024155 k( 388) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0024155 k( 389) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0024155 k( 390) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024155 k( 391) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0024155 k( 392) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0024155 k( 393) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0024155 k( 394) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024155 k( 395) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0024155 k( 396) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024155 k( 397) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0024155 k( 398) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0024155 k( 399) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024155 k( 400) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0024155 k( 401) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0024155 k( 402) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024155 k( 403) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0024155 k( 404) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024155 k( 405) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0024155 k( 406) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0024155 k( 407) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0024155 k( 408) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024155 k( 409) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0024155 k( 410) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0024155 k( 411) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0024155 k( 412) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0024155 k( 413) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0024155 k( 414) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 Dense grid: 42385 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 19949 G-vectors FFT dimensions: ( 45, 45, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 108, 38) NL pseudopotentials 0.08 Mb ( 54, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 885) G-vector shells 0.00 Mb ( 442) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 108, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./YGe.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.7 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 46.6 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.6 secs Computing kpt #: 7 total cpu time spent up to now is 50.0 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 52.7 secs Computing kpt #: 10 total cpu time spent up to now is 54.0 secs Computing kpt #: 11 total cpu time spent up to now is 55.1 secs Computing kpt #: 12 total cpu time spent up to now is 56.3 secs Computing kpt #: 13 total cpu time spent up to now is 57.5 secs Computing kpt #: 14 total cpu time spent up to now is 58.7 secs Computing kpt #: 15 total cpu time spent up to now is 59.9 secs Computing kpt #: 16 total cpu time spent up to now is 61.0 secs Computing kpt #: 17 total cpu time spent up to now is 62.3 secs Computing kpt #: 18 total cpu time spent up to now is 63.4 secs Computing kpt #: 19 total cpu time spent up to now is 64.7 secs Computing kpt #: 20 total cpu time spent up to now is 66.2 secs Computing kpt #: 21 total cpu time spent up to now is 67.3 secs Computing kpt #: 22 total cpu time spent up to now is 68.5 secs Computing kpt #: 23 total cpu time spent up to now is 69.6 secs Computing kpt #: 24 total cpu time spent up to now is 70.5 secs Computing kpt #: 25 total cpu time spent up to now is 71.3 secs Computing kpt #: 26 total cpu time spent up to now is 72.2 secs Computing kpt #: 27 total cpu time spent up to now is 73.1 secs Computing kpt #: 28 total cpu time spent up to now is 74.0 secs Computing kpt #: 29 total cpu time spent up to now is 74.9 secs Computing kpt #: 30 total cpu time spent up to now is 75.7 secs Computing kpt #: 31 total cpu time spent up to now is 76.8 secs Computing kpt #: 32 total cpu time spent up to now is 77.6 secs Computing kpt #: 33 total cpu time spent up to now is 78.8 secs Computing kpt #: 34 total cpu time spent up to now is 81.1 secs Computing kpt #: 35 total cpu time spent up to now is 81.9 secs Computing kpt #: 36 total cpu time spent up to now is 83.2 secs Computing kpt #: 37 total cpu time spent up to now is 84.1 secs Computing kpt #: 38 total cpu time spent up to now is 85.1 secs Computing kpt #: 39 total cpu time spent up to now is 85.9 secs Computing kpt #: 40 total cpu time spent up to now is 86.7 secs Computing kpt #: 41 total cpu time spent up to now is 87.7 secs Computing kpt #: 42 total cpu time spent up to now is 89.4 secs Computing kpt #: 43 total cpu time spent up to now is 90.2 secs Computing kpt #: 44 total cpu time spent up to now is 91.0 secs Computing kpt #: 45 total cpu time spent up to now is 91.8 secs Computing kpt #: 46 total cpu time spent up to now is 92.7 secs Computing kpt #: 47 total cpu time spent up to now is 93.5 secs Computing kpt #: 48 total cpu time spent up to now is 94.5 secs Computing kpt #: 49 total cpu time spent up to now is 95.4 secs Computing kpt #: 50 total cpu time spent up to now is 96.3 secs Computing kpt #: 51 total cpu time spent up to now is 97.1 secs Computing kpt #: 52 total cpu time spent up to now is 98.1 secs Computing kpt #: 53 total cpu time spent up to now is 99.0 secs Computing kpt #: 54 total cpu time spent up to now is 99.8 secs Computing kpt #: 55 total cpu time spent up to now is 100.6 secs Computing kpt #: 56 total cpu time spent up to now is 101.9 secs Computing kpt #: 57 total cpu time spent up to now is 102.7 secs Computing kpt #: 58 total cpu time spent up to now is 103.8 secs Computing kpt #: 59 total cpu time spent up to now is 104.6 secs Computing kpt #: 60 total cpu time spent up to now is 105.6 secs Computing kpt #: 61 total cpu time spent up to now is 106.6 secs Computing kpt #: 62 total cpu time spent up to now is 107.8 secs Computing kpt #: 63 total cpu time spent up to now is 108.8 secs Computing kpt #: 64 total cpu time spent up to now is 109.8 secs Computing kpt #: 65 total cpu time spent up to now is 110.6 secs Computing kpt #: 66 total cpu time spent up to now is 111.6 secs Computing kpt #: 67 total cpu time spent up to now is 112.7 secs Computing kpt #: 68 total cpu time spent up to now is 113.9 secs Computing kpt #: 69 total cpu time spent up to now is 115.0 secs Computing kpt #: 70 total cpu time spent up to now is 115.8 secs Computing kpt #: 71 total cpu time spent up to now is 116.6 secs Computing kpt #: 72 total cpu time spent up to now is 117.9 secs Computing kpt #: 73 total cpu time spent up to now is 118.7 secs Computing kpt #: 74 total cpu time spent up to now is 119.5 secs Computing kpt #: 75 total cpu time spent up to now is 120.3 secs Computing kpt #: 76 total cpu time spent up to now is 121.2 secs Computing kpt #: 77 total cpu time spent up to now is 122.3 secs Computing kpt #: 78 total cpu time spent up to now is 123.3 secs Computing kpt #: 79 total cpu time spent up to now is 124.7 secs Computing kpt #: 80 total cpu time spent up to now is 125.9 secs Computing kpt #: 81 total cpu time spent up to now is 126.9 secs Computing kpt #: 82 total cpu time spent up to now is 127.8 secs Computing kpt #: 83 total cpu time spent up to now is 128.8 secs Computing kpt #: 84 total cpu time spent up to now is 129.8 secs Computing kpt #: 85 total cpu time spent up to now is 130.7 secs Computing kpt #: 86 total cpu time spent up to now is 131.5 secs Computing kpt #: 87 total cpu time spent up to now is 132.4 secs Computing kpt #: 88 total cpu time spent up to now is 133.2 secs Computing kpt #: 89 total cpu time spent up to now is 134.0 secs Computing kpt #: 90 total cpu time spent up to now is 135.2 secs Computing kpt #: 91 total cpu time spent up to now is 136.2 secs Computing kpt #: 92 total cpu time spent up to now is 137.1 secs Computing kpt #: 93 total cpu time spent up to now is 138.3 secs Computing kpt #: 94 total cpu time spent up to now is 139.2 secs Computing kpt #: 95 total cpu time spent up to now is 140.3 secs Computing kpt #: 96 total cpu time spent up to now is 141.4 secs Computing kpt #: 97 total cpu time spent up to now is 142.8 secs Computing kpt #: 98 total cpu time spent up to now is 143.8 secs Computing kpt #: 99 total cpu time spent up to now is 144.8 secs Computing kpt #: 100 total cpu time spent up to now is 145.8 secs Computing kpt #: 101 total cpu time spent up to now is 147.0 secs Computing kpt #: 102 total cpu time spent up to now is 148.2 secs Computing kpt #: 103 total cpu time spent up to now is 149.4 secs Computing kpt #: 104 total cpu time spent up to now is 150.9 secs Computing kpt #: 105 total cpu time spent up to now is 152.4 secs Computing kpt #: 106 total cpu time spent up to now is 153.7 secs Computing kpt #: 107 total cpu time spent up to now is 155.0 secs Computing kpt #: 108 total cpu time spent up to now is 156.3 secs Computing kpt #: 109 total cpu time spent up to now is 157.8 secs Computing kpt #: 110 total cpu time spent up to now is 159.2 secs Computing kpt #: 111 total cpu time spent up to now is 160.6 secs Computing kpt #: 112 total cpu time spent up to now is 162.2 secs Computing kpt #: 113 total cpu time spent up to now is 163.8 secs Computing kpt #: 114 total cpu time spent up to now is 165.7 secs Computing kpt #: 115 total cpu time spent up to now is 167.1 secs Computing kpt #: 116 total cpu time spent up to now is 168.7 secs Computing kpt #: 117 total cpu time spent up to now is 170.3 secs Computing kpt #: 118 total cpu time spent up to now is 171.7 secs Computing kpt #: 119 total cpu time spent up to now is 173.1 secs Computing kpt #: 120 total cpu time spent up to now is 174.6 secs Computing kpt #: 121 total cpu time spent up to now is 176.0 secs Computing kpt #: 122 total cpu time spent up to now is 177.4 secs Computing kpt #: 123 total cpu time spent up to now is 178.8 secs Computing kpt #: 124 total cpu time spent up to now is 180.2 secs Computing kpt #: 125 total cpu time spent up to now is 181.7 secs Computing kpt #: 126 total cpu time spent up to now is 183.4 secs Computing kpt #: 127 total cpu time spent up to now is 185.1 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.2 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.3 secs Computing kpt #: 130 total cpu time spent up to now is 191.4 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.5 secs Computing kpt #: 132 total cpu time spent up to now is 195.4 secs Computing kpt #: 133 total cpu time spent up to now is 197.1 secs Computing kpt #: 134 total cpu time spent up to now is 198.8 secs Computing kpt #: 135 total cpu time spent up to now is 200.3 secs Computing kpt #: 136 total cpu time spent up to now is 202.9 secs Computing kpt #: 137 total cpu time spent up to now is 204.6 secs Computing kpt #: 138 total cpu time spent up to now is 206.1 secs Computing kpt #: 139 total cpu time spent up to now is 207.5 secs Computing kpt #: 140 total cpu time spent up to now is 209.0 secs Computing kpt #: 141 total cpu time spent up to now is 210.7 secs Computing kpt #: 142 total cpu time spent up to now is 212.5 secs Computing kpt #: 143 total cpu time spent up to now is 214.2 secs Computing kpt #: 144 total cpu time spent up to now is 216.3 secs Computing kpt #: 145 total cpu time spent up to now is 217.9 secs Computing kpt #: 146 total cpu time spent up to now is 219.6 secs Computing kpt #: 147 total cpu time spent up to now is 221.5 secs Computing kpt #: 148 total cpu time spent up to now is 223.5 secs Computing kpt #: 149 total cpu time spent up to now is 225.1 secs Computing kpt #: 150 total cpu time spent up to now is 227.0 secs Computing kpt #: 151 total cpu time spent up to now is 229.0 secs Computing kpt #: 152 total cpu time spent up to now is 230.9 secs Computing kpt #: 153 total cpu time spent up to now is 232.8 secs Computing kpt #: 154 total cpu time spent up to now is 234.7 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.8 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.1 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.3 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.4 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.5 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.7 secs Computing kpt #: 163 total cpu time spent up to now is 252.6 secs Computing kpt #: 164 total cpu time spent up to now is 253.4 secs Computing kpt #: 165 total cpu time spent up to now is 254.9 secs Computing kpt #: 166 total cpu time spent up to now is 256.4 secs Computing kpt #: 167 total cpu time spent up to now is 257.9 secs Computing kpt #: 168 total cpu time spent up to now is 259.2 secs Computing kpt #: 169 total cpu time spent up to now is 260.7 secs Computing kpt #: 170 total cpu time spent up to now is 262.0 secs Computing kpt #: 171 total cpu time spent up to now is 263.3 secs Computing kpt #: 172 total cpu time spent up to now is 264.6 secs Computing kpt #: 173 total cpu time spent up to now is 265.9 secs Computing kpt #: 174 total cpu time spent up to now is 267.2 secs Computing kpt #: 175 total cpu time spent up to now is 268.5 secs Computing kpt #: 176 total cpu time spent up to now is 269.8 secs Computing kpt #: 177 total cpu time spent up to now is 271.0 secs Computing kpt #: 178 total cpu time spent up to now is 272.1 secs Computing kpt #: 179 total cpu time spent up to now is 273.3 secs Computing kpt #: 180 total cpu time spent up to now is 274.4 secs Computing kpt #: 181 total cpu time spent up to now is 275.6 secs Computing kpt #: 182 total cpu time spent up to now is 277.0 secs Computing kpt #: 183 total cpu time spent up to now is 278.4 secs Computing kpt #: 184 total cpu time spent up to now is 279.4 secs Computing kpt #: 185 total cpu time spent up to now is 280.4 secs Computing kpt #: 186 total cpu time spent up to now is 281.3 secs Computing kpt #: 187 total cpu time spent up to now is 282.3 secs Computing kpt #: 188 total cpu time spent up to now is 283.2 secs Computing kpt #: 189 total cpu time spent up to now is 284.3 secs Computing kpt #: 190 total cpu time spent up to now is 285.3 secs Computing kpt #: 191 total cpu time spent up to now is 286.2 secs Computing kpt #: 192 total cpu time spent up to now is 287.1 secs Computing kpt #: 193 total cpu time spent up to now is 287.9 secs Computing kpt #: 194 total cpu time spent up to now is 288.8 secs Computing kpt #: 195 total cpu time spent up to now is 289.6 secs Computing kpt #: 196 total cpu time spent up to now is 290.4 secs Computing kpt #: 197 total cpu time spent up to now is 291.2 secs Computing kpt #: 198 total cpu time spent up to now is 292.1 secs Computing kpt #: 199 total cpu time spent up to now is 292.9 secs Computing kpt #: 200 total cpu time spent up to now is 293.7 secs Computing kpt #: 201 total cpu time spent up to now is 295.7 secs Computing kpt #: 202 total cpu time spent up to now is 297.3 secs Computing kpt #: 203 total cpu time spent up to now is 298.8 secs Computing kpt #: 204 total cpu time spent up to now is 300.1 secs Computing kpt #: 205 total cpu time spent up to now is 301.5 secs Computing kpt #: 206 total cpu time spent up to now is 302.9 secs Computing kpt #: 207 total cpu time spent up to now is 304.3 secs Computing kpt #: 208 total cpu time spent up to now is 305.3 secs Computing kpt #: 209 total cpu time spent up to now is 306.2 secs Computing kpt #: 210 total cpu time spent up to now is 307.2 secs Computing kpt #: 211 total cpu time spent up to now is 308.1 secs Computing kpt #: 212 total cpu time spent up to now is 309.1 secs Computing kpt #: 213 total cpu time spent up to now is 310.2 secs Computing kpt #: 214 total cpu time spent up to now is 311.2 secs Computing kpt #: 215 total cpu time spent up to now is 312.3 secs Computing kpt #: 216 total cpu time spent up to now is 313.1 secs Computing kpt #: 217 total cpu time spent up to now is 314.1 secs Computing kpt #: 218 total cpu time spent up to now is 314.9 secs Computing kpt #: 219 total cpu time spent up to now is 315.8 secs Computing kpt #: 220 total cpu time spent up to now is 316.8 secs Computing kpt #: 221 total cpu time spent up to now is 317.8 secs Computing kpt #: 222 total cpu time spent up to now is 318.6 secs Computing kpt #: 223 total cpu time spent up to now is 319.3 secs Computing kpt #: 224 total cpu time spent up to now is 320.1 secs Computing kpt #: 225 total cpu time spent up to now is 320.9 secs Computing kpt #: 226 total cpu time spent up to now is 321.8 secs Computing kpt #: 227 total cpu time spent up to now is 322.7 secs Computing kpt #: 228 total cpu time spent up to now is 323.9 secs Computing kpt #: 229 total cpu time spent up to now is 324.8 secs Computing kpt #: 230 total cpu time spent up to now is 325.9 secs Computing kpt #: 231 total cpu time spent up to now is 326.8 secs Computing kpt #: 232 total cpu time spent up to now is 327.9 secs Computing kpt #: 233 total cpu time spent up to now is 329.3 secs Computing kpt #: 234 total cpu time spent up to now is 330.7 secs Computing kpt #: 235 total cpu time spent up to now is 331.9 secs Computing kpt #: 236 total cpu time spent up to now is 333.0 secs Computing kpt #: 237 total cpu time spent up to now is 334.7 secs Computing kpt #: 238 total cpu time spent up to now is 336.7 secs Computing kpt #: 239 total cpu time spent up to now is 337.9 secs Computing kpt #: 240 total cpu time spent up to now is 338.9 secs Computing kpt #: 241 total cpu time spent up to now is 340.2 secs Computing kpt #: 242 total cpu time spent up to now is 341.1 secs Computing kpt #: 243 total cpu time spent up to now is 341.9 secs Computing kpt #: 244 total cpu time spent up to now is 342.7 secs Computing kpt #: 245 total cpu time spent up to now is 343.6 secs Computing kpt #: 246 total cpu time spent up to now is 344.5 secs Computing kpt #: 247 total cpu time spent up to now is 346.0 secs Computing kpt #: 248 total cpu time spent up to now is 347.8 secs Computing kpt #: 249 total cpu time spent up to now is 348.7 secs Computing kpt #: 250 total cpu time spent up to now is 349.9 secs Computing kpt #: 251 total cpu time spent up to now is 351.1 secs Computing kpt #: 252 total cpu time spent up to now is 352.4 secs Computing kpt #: 253 total cpu time spent up to now is 354.1 secs Computing kpt #: 254 total cpu time spent up to now is 355.7 secs Computing kpt #: 255 total cpu time spent up to now is 357.0 secs Computing kpt #: 256 total cpu time spent up to now is 358.1 secs Computing kpt #: 257 total cpu time spent up to now is 359.2 secs Computing kpt #: 258 total cpu time spent up to now is 360.2 secs Computing kpt #: 259 total cpu time spent up to now is 361.3 secs Computing kpt #: 260 total cpu time spent up to now is 362.9 secs Computing kpt #: 261 total cpu time spent up to now is 364.0 secs Computing kpt #: 262 total cpu time spent up to now is 365.3 secs Computing kpt #: 263 total cpu time spent up to now is 366.9 secs Computing kpt #: 264 total cpu time spent up to now is 367.8 secs Computing kpt #: 265 total cpu time spent up to now is 368.7 secs Computing kpt #: 266 total cpu time spent up to now is 369.5 secs Computing kpt #: 267 total cpu time spent up to now is 370.4 secs Computing kpt #: 268 total cpu time spent up to now is 371.2 secs Computing kpt #: 269 total cpu time spent up to now is 372.2 secs Computing kpt #: 270 total cpu time spent up to now is 373.1 secs Computing kpt #: 271 total cpu time spent up to now is 373.9 secs Computing kpt #: 272 total cpu time spent up to now is 374.8 secs Computing kpt #: 273 total cpu time spent up to now is 375.9 secs Computing kpt #: 274 total cpu time spent up to now is 377.0 secs Computing kpt #: 275 total cpu time spent up to now is 378.1 secs Computing kpt #: 276 total cpu time spent up to now is 379.4 secs Computing kpt #: 277 total cpu time spent up to now is 380.7 secs Computing kpt #: 278 total cpu time spent up to now is 381.9 secs Computing kpt #: 279 total cpu time spent up to now is 383.0 secs Computing kpt #: 280 total cpu time spent up to now is 384.0 secs Computing kpt #: 281 total cpu time spent up to now is 384.9 secs Computing kpt #: 282 total cpu time spent up to now is 385.9 secs Computing kpt #: 283 total cpu time spent up to now is 387.2 secs Computing kpt #: 284 total cpu time spent up to now is 388.3 secs Computing kpt #: 285 total cpu time spent up to now is 389.3 secs Computing kpt #: 286 total cpu time spent up to now is 390.1 secs Computing kpt #: 287 total cpu time spent up to now is 391.0 secs Computing kpt #: 288 total cpu time spent up to now is 391.9 secs Computing kpt #: 289 total cpu time spent up to now is 392.7 secs Computing kpt #: 290 total cpu time spent up to now is 393.6 secs Computing kpt #: 291 total cpu time spent up to now is 394.8 secs Computing kpt #: 292 total cpu time spent up to now is 396.1 secs Computing kpt #: 293 total cpu time spent up to now is 398.0 secs Computing kpt #: 294 total cpu time spent up to now is 399.7 secs Computing kpt #: 295 total cpu time spent up to now is 401.1 secs Computing kpt #: 296 total cpu time spent up to now is 402.6 secs Computing kpt #: 297 total cpu time spent up to now is 403.6 secs Computing kpt #: 298 total cpu time spent up to now is 404.7 secs Computing kpt #: 299 total cpu time spent up to now is 405.7 secs Computing kpt #: 300 total cpu time spent up to now is 406.6 secs Computing kpt #: 301 total cpu time spent up to now is 407.4 secs Computing kpt #: 302 total cpu time spent up to now is 408.3 secs Computing kpt #: 303 total cpu time spent up to now is 409.2 secs Computing kpt #: 304 total cpu time spent up to now is 410.1 secs Computing kpt #: 305 total cpu time spent up to now is 411.0 secs Computing kpt #: 306 total cpu time spent up to now is 411.9 secs Computing kpt #: 307 total cpu time spent up to now is 413.5 secs Computing kpt #: 308 total cpu time spent up to now is 415.6 secs Computing kpt #: 309 total cpu time spent up to now is 417.0 secs Computing kpt #: 310 total cpu time spent up to now is 418.6 secs Computing kpt #: 311 total cpu time spent up to now is 420.3 secs Computing kpt #: 312 total cpu time spent up to now is 422.2 secs Computing kpt #: 313 total cpu time spent up to now is 424.1 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.3 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.4 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.6 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.8 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.0 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.0 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.0 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.1 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.3 secs Computing kpt #: 324 total cpu time spent up to now is 447.1 secs Computing kpt #: 325 total cpu time spent up to now is 448.9 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.9 secs Computing kpt #: 327 total cpu time spent up to now is 452.5 secs Computing kpt #: 328 total cpu time spent up to now is 454.6 secs Computing kpt #: 329 total cpu time spent up to now is 456.5 secs Computing kpt #: 330 total cpu time spent up to now is 458.1 secs Computing kpt #: 331 total cpu time spent up to now is 459.7 secs Computing kpt #: 332 total cpu time spent up to now is 461.1 secs Computing kpt #: 333 total cpu time spent up to now is 462.2 secs Computing kpt #: 334 total cpu time spent up to now is 463.5 secs Computing kpt #: 335 total cpu time spent up to now is 464.8 secs Computing kpt #: 336 total cpu time spent up to now is 466.1 secs Computing kpt #: 337 total cpu time spent up to now is 467.2 secs Computing kpt #: 338 total cpu time spent up to now is 468.4 secs Computing kpt #: 339 total cpu time spent up to now is 469.6 secs Computing kpt #: 340 total cpu time spent up to now is 470.6 secs Computing kpt #: 341 total cpu time spent up to now is 471.8 secs Computing kpt #: 342 total cpu time spent up to now is 472.6 secs Computing kpt #: 343 total cpu time spent up to now is 473.4 secs Computing kpt #: 344 total cpu time spent up to now is 474.9 secs Computing kpt #: 345 total cpu time spent up to now is 475.9 secs Computing kpt #: 346 total cpu time spent up to now is 476.8 secs Computing kpt #: 347 total cpu time spent up to now is 477.7 secs Computing kpt #: 348 total cpu time spent up to now is 478.4 secs Computing kpt #: 349 total cpu time spent up to now is 479.2 secs Computing kpt #: 350 total cpu time spent up to now is 480.1 secs Computing kpt #: 351 total cpu time spent up to now is 481.1 secs Computing kpt #: 352 total cpu time spent up to now is 482.0 secs Computing kpt #: 353 total cpu time spent up to now is 482.9 secs Computing kpt #: 354 total cpu time spent up to now is 484.4 secs Computing kpt #: 355 total cpu time spent up to now is 485.8 secs Computing kpt #: 356 total cpu time spent up to now is 486.6 secs Computing kpt #: 357 total cpu time spent up to now is 487.4 secs Computing kpt #: 358 total cpu time spent up to now is 488.2 secs Computing kpt #: 359 total cpu time spent up to now is 488.9 secs Computing kpt #: 360 total cpu time spent up to now is 489.7 secs Computing kpt #: 361 total cpu time spent up to now is 490.6 secs Computing kpt #: 362 total cpu time spent up to now is 491.3 secs Computing kpt #: 363 total cpu time spent up to now is 492.1 secs Computing kpt #: 364 total cpu time spent up to now is 493.1 secs Computing kpt #: 365 total cpu time spent up to now is 493.8 secs Computing kpt #: 366 total cpu time spent up to now is 494.4 secs Computing kpt #: 367 total cpu time spent up to now is 495.1 secs Computing kpt #: 368 total cpu time spent up to now is 495.7 secs Computing kpt #: 369 total cpu time spent up to now is 496.4 secs Computing kpt #: 370 total cpu time spent up to now is 497.3 secs Computing kpt #: 371 total cpu time spent up to now is 498.1 secs Computing kpt #: 372 total cpu time spent up to now is 498.8 secs Computing kpt #: 373 total cpu time spent up to now is 499.6 secs Computing kpt #: 374 total cpu time spent up to now is 500.4 secs Computing kpt #: 375 total cpu time spent up to now is 501.2 secs Computing kpt #: 376 total cpu time spent up to now is 502.3 secs Computing kpt #: 377 total cpu time spent up to now is 503.1 secs Computing kpt #: 378 total cpu time spent up to now is 504.1 secs Computing kpt #: 379 total cpu time spent up to now is 505.0 secs Computing kpt #: 380 total cpu time spent up to now is 506.0 secs Computing kpt #: 381 total cpu time spent up to now is 506.9 secs Computing kpt #: 382 total cpu time spent up to now is 508.0 secs Computing kpt #: 383 total cpu time spent up to now is 509.2 secs Computing kpt #: 384 total cpu time spent up to now is 510.1 secs Computing kpt #: 385 total cpu time spent up to now is 511.0 secs Computing kpt #: 386 total cpu time spent up to now is 511.8 secs Computing kpt #: 387 total cpu time spent up to now is 512.6 secs Computing kpt #: 388 total cpu time spent up to now is 513.4 secs Computing kpt #: 389 total cpu time spent up to now is 514.2 secs Computing kpt #: 390 total cpu time spent up to now is 515.1 secs Computing kpt #: 391 total cpu time spent up to now is 516.1 secs Computing kpt #: 392 total cpu time spent up to now is 517.1 secs Computing kpt #: 393 total cpu time spent up to now is 518.2 secs Computing kpt #: 394 total cpu time spent up to now is 519.6 secs Computing kpt #: 395 total cpu time spent up to now is 520.7 secs Computing kpt #: 396 total cpu time spent up to now is 521.7 secs Computing kpt #: 397 total cpu time spent up to now is 522.6 secs Computing kpt #: 398 total cpu time spent up to now is 523.4 secs Computing kpt #: 399 total cpu time spent up to now is 524.3 secs Computing kpt #: 400 total cpu time spent up to now is 525.1 secs Computing kpt #: 401 total cpu time spent up to now is 525.9 secs Computing kpt #: 402 total cpu time spent up to now is 526.8 secs Computing kpt #: 403 total cpu time spent up to now is 527.6 secs Computing kpt #: 404 total cpu time spent up to now is 528.5 secs Computing kpt #: 405 total cpu time spent up to now is 529.3 secs Computing kpt #: 406 total cpu time spent up to now is 530.0 secs Computing kpt #: 407 total cpu time spent up to now is 530.9 secs Computing kpt #: 408 total cpu time spent up to now is 531.8 secs Computing kpt #: 409 total cpu time spent up to now is 532.6 secs Computing kpt #: 410 total cpu time spent up to now is 533.3 secs Computing kpt #: 411 total cpu time spent up to now is 534.1 secs Computing kpt #: 412 total cpu time spent up to now is 534.9 secs Computing kpt #: 413 total cpu time spent up to now is 535.6 secs Computing kpt #: 414 total cpu time spent up to now is 536.4 secs ethr = 3.33E-11, avg # of iterations = 47.7 total cpu time spent up to now is 536.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0779 -13.0779 -12.9029 -12.9029 -11.7256 -11.7256 -11.5855 -11.5855 -11.4969 -11.4969 -11.4058 -11.4058 -0.4870 -0.4870 3.4139 3.4139 7.5586 7.5586 8.4166 8.4166 9.0693 9.0693 9.3753 9.3753 10.6992 10.6992 11.0301 11.0301 11.8677 11.8677 12.9780 12.9780 13.1562 13.1562 k = 0.0067 0.0169-0.0000 ( 2498 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0779 -13.0779 -12.9030 -12.9030 -11.7255 -11.7255 -11.5855 -11.5855 -11.4970 -11.4970 -11.4058 -11.4058 -0.4858 -0.4858 3.4151 3.4151 7.5500 7.5500 8.4216 8.4216 9.0678 9.0678 9.3749 9.3749 10.7036 10.7036 11.0245 11.0245 11.8629 11.8629 12.9381 12.9381 13.1663 13.1663 k = 0.0135 0.0338-0.0000 ( 2494 PWs) bands (ev): -31.9951 -31.9951 -31.9437 -31.9437 -13.0778 -13.0778 -12.9033 -12.9033 -11.7254 -11.7254 -11.5857 -11.5857 -11.4974 -11.4974 -11.4058 -11.4058 -0.4823 -0.4823 3.4187 3.4187 7.5249 7.5249 8.4359 8.4359 9.0631 9.0631 9.3735 9.3735 10.7169 10.7169 11.0083 11.0083 11.8490 11.8490 12.8504 12.8504 13.1958 13.1958 k = 0.0202 0.0507-0.0000 ( 2492 PWs) bands (ev): -31.9950 -31.9950 -31.9437 -31.9437 -13.0778 -13.0778 -12.9037 -12.9037 -11.7253 -11.7253 -11.5859 -11.5859 -11.4981 -11.4981 -11.4058 -11.4058 -0.4763 -0.4763 3.4248 3.4248 7.4854 7.4854 8.4575 8.4575 9.0555 9.0555 9.3710 9.3710 10.7388 10.7388 10.9825 10.9825 11.8273 11.8273 12.7472 12.7472 13.2431 13.2431 k = 0.0269 0.0676-0.0000 ( 2484 PWs) bands (ev): -31.9949 -31.9949 -31.9438 -31.9438 -13.0777 -13.0777 -12.9044 -12.9044 -11.7250 -11.7250 -11.5863 -11.5863 -11.4991 -11.4991 -11.4059 -11.4059 -0.4681 -0.4681 3.4333 3.4333 7.4341 7.4341 8.4841 8.4841 9.0448 9.0448 9.3667 9.3667 10.7692 10.7692 10.9489 10.9489 11.8001 11.8001 12.6397 12.6397 13.3056 13.3056 k = 0.0337 0.0845-0.0000 ( 2484 PWs) bands (ev): -31.9948 -31.9948 -31.9438 -31.9438 -13.0775 -13.0775 -12.9053 -12.9053 -11.7247 -11.7247 -11.5868 -11.5868 -11.5004 -11.5004 -11.4060 -11.4060 -0.4576 -0.4576 3.4441 3.4441 7.3734 7.3734 8.5133 8.5133 9.0311 9.0311 9.3600 9.3600 10.8078 10.8078 10.9098 10.9098 11.7692 11.7692 12.5317 12.5317 13.3652 13.3652 k = 0.0404 0.1014-0.0000 ( 2486 PWs) bands (ev): -31.9946 -31.9946 -31.9439 -31.9439 -13.0773 -13.0773 -12.9063 -12.9063 -11.7244 -11.7244 -11.5873 -11.5873 -11.5019 -11.5019 -11.4061 -11.4061 -0.4448 -0.4448 3.4573 3.4573 7.3056 7.3056 8.5433 8.5433 9.0146 9.0146 9.3501 9.3501 10.8538 10.8538 10.8683 10.8683 11.7366 11.7366 12.4248 12.4248 13.3799 13.3799 k = 0.0472 0.1183-0.0000 ( 2486 PWs) bands (ev): -31.9944 -31.9944 -31.9440 -31.9440 -13.0771 -13.0771 -12.9076 -12.9076 -11.7240 -11.7240 -11.5879 -11.5879 -11.5036 -11.5036 -11.4063 -11.4063 -0.4298 -0.4298 3.4728 3.4728 7.2326 7.2326 8.5725 8.5725 8.9953 8.9953 9.3359 9.3359 10.8249 10.8249 10.9088 10.9088 11.7039 11.7039 12.3198 12.3198 13.3694 13.3694 k = 0.0539 0.1352-0.0000 ( 2484 PWs) bands (ev): -31.9941 -31.9941 -31.9441 -31.9441 -13.0769 -13.0769 -12.9090 -12.9090 -11.7235 -11.7235 -11.5886 -11.5886 -11.5056 -11.5056 -11.4065 -11.4065 -0.4128 -0.4128 3.4904 3.4904 7.1557 7.1557 8.6000 8.6000 8.9733 8.9733 9.3164 9.3164 10.7846 10.7846 10.9698 10.9698 11.6725 11.6725 12.2172 12.2172 13.3401 13.3401 k = 0.0606 0.1521-0.0000 ( 2484 PWs) bands (ev): -31.9938 -31.9938 -31.9442 -31.9442 -13.0766 -13.0766 -12.9105 -12.9105 -11.7230 -11.7230 -11.5894 -11.5894 -11.5078 -11.5078 -11.4067 -11.4067 -0.3937 -0.3937 3.5102 3.5102 7.0763 7.0763 8.6250 8.6250 8.9488 8.9488 9.2905 9.2905 10.7489 10.7489 11.0374 11.0374 11.6433 11.6433 12.1173 12.1173 13.3058 13.3058 k = 0.0674 0.1691-0.0000 ( 2484 PWs) bands (ev): -31.9935 -31.9935 -31.9443 -31.9443 -13.0763 -13.0763 -12.9123 -12.9123 -11.7225 -11.7225 -11.5903 -11.5903 -11.5101 -11.5101 -11.4069 -11.4069 -0.3727 -0.3727 3.5321 3.5321 6.9951 6.9951 8.6472 8.6472 8.9220 8.9220 9.2573 9.2573 10.7200 10.7200 11.1108 11.1108 11.6171 11.6171 12.0202 12.0202 13.2678 13.2678 k = 0.0741 0.1860-0.0000 ( 2484 PWs) bands (ev): -31.9932 -31.9932 -31.9445 -31.9445 -13.0760 -13.0760 -12.9142 -12.9142 -11.7219 -11.7219 -11.5912 -11.5912 -11.5126 -11.5126 -11.4072 -11.4072 -0.3498 -0.3498 3.5559 3.5559 6.9131 6.9131 8.6662 8.6662 8.8930 8.8930 9.2162 9.2162 10.6996 10.6996 11.1895 11.1895 11.5942 11.5942 11.9263 11.9263 13.2265 13.2265 k = 0.0808 0.2029-0.0000 ( 2488 PWs) bands (ev): -31.9929 -31.9929 -31.9446 -31.9446 -13.0756 -13.0756 -12.9162 -12.9162 -11.7212 -11.7212 -11.5922 -11.5922 -11.5152 -11.5152 -11.4076 -11.4076 -0.3252 -0.3252 3.5816 3.5816 6.8309 6.8309 8.6819 8.6819 8.8621 8.8621 9.1671 9.1671 10.6888 10.6888 11.2728 11.2728 11.5752 11.5752 11.8356 11.8356 13.1823 13.1823 k = 0.0876 0.2198-0.0000 ( 2484 PWs) bands (ev): -31.9925 -31.9925 -31.9448 -31.9448 -13.0752 -13.0752 -12.9184 -12.9184 -11.7205 -11.7205 -11.5933 -11.5933 -11.5179 -11.5179 -11.4080 -11.4080 -0.2991 -0.2991 3.6089 3.6089 6.7490 6.7490 8.6942 8.6942 8.8296 8.8296 9.1102 9.1102 10.6881 10.6881 11.3597 11.3597 11.5602 11.5602 11.7487 11.7487 13.1358 13.1358 k = 0.0943 0.2367-0.0000 ( 2484 PWs) bands (ev): -31.9921 -31.9921 -31.9450 -31.9450 -13.0747 -13.0747 -12.9206 -12.9206 -11.7198 -11.7198 -11.5945 -11.5945 -11.5206 -11.5206 -11.4084 -11.4084 -0.2715 -0.2715 3.6379 3.6379 6.6680 6.6680 8.7027 8.7027 8.7962 8.7962 9.0462 9.0462 10.6974 10.6974 11.4485 11.4485 11.5493 11.5493 11.6666 11.6666 13.0873 13.0873 k = 0.1011 0.2536-0.0000 ( 2480 PWs) bands (ev): -31.9917 -31.9917 -31.9452 -31.9452 -13.0742 -13.0742 -12.9231 -12.9231 -11.7191 -11.7191 -11.5957 -11.5957 -11.5234 -11.5234 -11.4089 -11.4089 -0.2426 -0.2426 3.6683 3.6683 6.5882 6.5882 8.7059 8.7059 8.7636 8.7636 8.9764 8.9764 10.7165 10.7165 11.5235 11.5235 11.5459 11.5459 11.6014 11.6014 13.0372 13.0372 k = 0.1078 0.2705-0.0000 ( 2476 PWs) bands (ev): -31.9913 -31.9913 -31.9453 -31.9453 -13.0737 -13.0737 -12.9256 -12.9256 -11.7183 -11.7183 -11.5970 -11.5970 -11.5261 -11.5261 -11.4095 -11.4095 -0.2126 -0.2126 3.7000 3.7000 6.5101 6.5101 8.6970 8.6970 8.7386 8.7386 8.9022 8.9022 10.7445 10.7445 11.4916 11.4916 11.5432 11.5432 11.6520 11.6520 12.9859 12.9859 k = 0.1145 0.2874-0.0000 ( 2476 PWs) bands (ev): -31.9908 -31.9908 -31.9456 -31.9456 -13.0731 -13.0731 -12.9282 -12.9282 -11.7174 -11.7174 -11.5983 -11.5983 -11.5288 -11.5288 -11.4101 -11.4101 -0.1816 -0.1816 3.7327 3.7327 6.4340 6.4340 8.6680 8.6680 8.7292 8.7292 8.8254 8.8254 10.7808 10.7808 11.4224 11.4224 11.5435 11.5435 11.7461 11.7461 12.9338 12.9338 k = 0.1213 0.3043-0.0000 ( 2488 PWs) bands (ev): -31.9904 -31.9904 -31.9459 -31.9459 -13.0724 -13.0724 -12.9309 -12.9309 -11.7166 -11.7166 -11.5998 -11.5998 -11.5314 -11.5314 -11.4108 -11.4108 -0.1498 -0.1498 3.7662 3.7662 6.3604 6.3604 8.6278 8.6278 8.7249 8.7249 8.7491 8.7491 10.8243 10.8243 11.3531 11.3531 11.5488 11.5488 11.8437 11.8437 12.8812 12.8812 k = 0.1280 0.3212-0.0000 ( 2488 PWs) bands (ev): -31.9899 -31.9899 -31.9461 -31.9461 -13.0718 -13.0718 -12.9336 -12.9336 -11.7157 -11.7157 -11.6013 -11.6013 -11.5339 -11.5339 -11.4115 -11.4115 -0.1174 -0.1174 3.8004 3.8004 6.2894 6.2894 8.5794 8.5794 8.6761 8.6761 8.7217 8.7217 10.8741 10.8741 11.2867 11.2867 11.5581 11.5581 11.9418 11.9418 12.8287 12.8287 k = 0.1347 0.3381-0.0000 ( 2490 PWs) bands (ev): -31.9894 -31.9894 -31.9464 -31.9464 -13.0710 -13.0710 -12.9364 -12.9364 -11.7148 -11.7148 -11.6029 -11.6029 -11.5363 -11.5363 -11.4124 -11.4124 -0.0846 -0.0846 3.8350 3.8350 6.2214 6.2214 8.5194 8.5194 8.6146 8.6146 8.7161 8.7161 10.9293 10.9293 11.2238 11.2238 11.5712 11.5712 12.0391 12.0391 12.7766 12.7766 k = 0.1415 0.3550-0.0000 ( 2494 PWs) bands (ev): -31.9888 -31.9888 -31.9467 -31.9467 -13.0702 -13.0702 -12.9393 -12.9393 -11.7139 -11.7139 -11.6046 -11.6046 -11.5384 -11.5384 -11.4133 -11.4133 -0.0515 -0.0515 3.8696 3.8696 6.1567 6.1567 8.4483 8.4483 8.5646 8.5646 8.7090 8.7090 10.9884 10.9884 11.1655 11.1655 11.5879 11.5879 12.1337 12.1337 12.7257 12.7257 k = 0.1482 0.3719-0.0000 ( 2496 PWs) bands (ev): -31.9883 -31.9883 -31.9470 -31.9470 -13.0694 -13.0694 -12.9422 -12.9422 -11.7129 -11.7129 -11.6064 -11.6064 -11.5403 -11.5403 -11.4142 -11.4142 -0.0185 -0.0185 3.9039 3.9039 6.0956 6.0956 8.3718 8.3718 8.5219 8.5219 8.7005 8.7005 11.0447 11.0447 11.1175 11.1175 11.6079 11.6079 12.2226 12.2226 12.6755 12.6755 k = 0.1550 0.3888-0.0000 ( 2490 PWs) bands (ev): -31.9878 -31.9878 -31.9473 -31.9473 -13.0685 -13.0685 -12.9451 -12.9451 -11.7119 -11.7119 -11.6083 -11.6083 -11.5420 -11.5420 -11.4153 -11.4153 0.0143 0.0143 3.9377 3.9377 6.0383 6.0383 8.2943 8.2943 8.4831 8.4831 8.6906 8.6906 11.0420 11.0420 11.1357 11.1357 11.6310 11.6310 12.2996 12.2996 12.6224 12.6224 k = 0.1617 0.4057-0.0000 ( 2498 PWs) bands (ev): -31.9872 -31.9872 -31.9477 -31.9477 -13.0676 -13.0676 -12.9480 -12.9480 -11.7109 -11.7109 -11.6103 -11.6103 -11.5435 -11.5435 -11.4164 -11.4164 0.0466 0.0466 3.9705 3.9705 5.9851 5.9851 8.2182 8.2182 8.4468 8.4468 8.6795 8.6795 10.9979 10.9979 11.2014 11.2014 11.6572 11.6572 12.3516 12.3516 12.5662 12.5662 k = 0.1684 0.4226-0.0000 ( 2496 PWs) bands (ev): -31.9867 -31.9867 -31.9481 -31.9481 -13.0665 -13.0665 -12.9509 -12.9509 -11.7098 -11.7098 -11.6123 -11.6123 -11.5447 -11.5447 -11.4176 -11.4176 0.0783 0.0783 4.0020 4.0020 5.9363 5.9363 8.1451 8.1451 8.4125 8.4125 8.6672 8.6672 10.9537 10.9537 11.2730 11.2730 11.6861 11.6861 12.3639 12.3639 12.5089 12.5089 k = 0.1752 0.4395-0.0000 ( 2496 PWs) bands (ev): -31.9861 -31.9861 -31.9484 -31.9484 -13.0655 -13.0655 -12.9538 -12.9538 -11.7087 -11.7087 -11.6144 -11.6144 -11.5457 -11.5457 -11.4188 -11.4188 0.1091 0.1091 4.0317 4.0317 5.8920 5.8920 8.0760 8.0760 8.3801 8.3801 8.6540 8.6540 10.9123 10.9123 11.3465 11.3465 11.7175 11.7175 12.3416 12.3416 12.4515 12.4515 k = 0.1819 0.4564-0.0000 ( 2498 PWs) bands (ev): -31.9855 -31.9855 -31.9489 -31.9489 -13.0643 -13.0643 -12.9566 -12.9566 -11.7076 -11.7076 -11.6164 -11.6164 -11.5464 -11.5464 -11.4202 -11.4202 0.1387 0.1387 4.0593 4.0593 5.8526 5.8526 8.0118 8.0118 8.3494 8.3494 8.6400 8.6400 10.8743 10.8743 11.4206 11.4206 11.7514 11.7514 12.3011 12.3011 12.3941 12.3941 k = 0.1886 0.4733-0.0000 ( 2502 PWs) bands (ev): -31.9850 -31.9850 -31.9493 -31.9493 -13.0632 -13.0632 -12.9594 -12.9594 -11.7064 -11.7064 -11.6185 -11.6185 -11.5469 -11.5469 -11.4216 -11.4216 0.1671 0.1671 4.0841 4.0841 5.8181 5.8181 7.9532 7.9532 8.3207 8.3207 8.6253 8.6253 10.8400 10.8400 11.4942 11.4942 11.7873 11.7873 12.2522 12.2522 12.3369 12.3369 k = 0.1954 0.4903-0.0000 ( 2506 PWs) bands (ev): -31.9844 -31.9844 -31.9497 -31.9497 -13.0619 -13.0619 -12.9621 -12.9621 -11.7052 -11.7052 -11.6206 -11.6206 -11.5471 -11.5471 -11.4230 -11.4230 0.1939 0.1939 4.1059 4.1059 5.7890 5.7890 7.9009 7.9009 8.2939 8.2939 8.6102 8.6102 10.8093 10.8093 11.5660 11.5660 11.8251 11.8251 12.1992 12.1992 12.2803 12.2803 k = 0.2021 0.5072-0.0000 ( 2508 PWs) bands (ev): -31.9838 -31.9838 -31.9502 -31.9502 -13.0606 -13.0606 -12.9648 -12.9648 -11.7039 -11.7039 -11.6226 -11.6226 -11.5472 -11.5472 -11.4246 -11.4246 0.2190 0.2190 4.1242 4.1242 5.7652 5.7652 7.8556 7.8556 8.2691 8.2691 8.5946 8.5946 10.7823 10.7823 11.6345 11.6345 11.8642 11.8642 12.1441 12.1441 12.2248 12.2248 k = 0.2089 0.5241-0.0000 ( 2508 PWs) bands (ev): -31.9833 -31.9833 -31.9506 -31.9506 -13.0592 -13.0592 -12.9674 -12.9674 -11.7026 -11.7026 -11.6245 -11.6245 -11.5471 -11.5471 -11.4262 -11.4262 0.2421 0.2421 4.1386 4.1386 5.7470 5.7470 7.8178 7.8178 8.2465 8.2465 8.5789 8.5789 10.7591 10.7591 11.6975 11.6975 11.9036 11.9036 12.0887 12.0887 12.1716 12.1716 k = 0.2156 0.5410-0.0000 ( 2506 PWs) bands (ev): -31.9827 -31.9827 -31.9511 -31.9511 -13.0578 -13.0578 -12.9699 -12.9699 -11.7013 -11.7013 -11.6263 -11.6263 -11.5468 -11.5468 -11.4279 -11.4279 0.2632 0.2632 4.1487 4.1487 5.7346 5.7346 7.7880 7.7880 8.2260 8.2260 8.5630 8.5630 10.7396 10.7396 11.7511 11.7511 11.9386 11.9386 12.0377 12.0377 12.1240 12.1240 k = 0.2223 0.5579-0.0000 ( 2506 PWs) bands (ev): -31.9821 -31.9821 -31.9515 -31.9515 -13.0563 -13.0563 -12.9724 -12.9724 -11.6999 -11.6999 -11.6279 -11.6279 -11.5463 -11.5463 -11.4296 -11.4296 0.2821 0.2821 4.1541 4.1541 5.7280 5.7280 7.7667 7.7667 8.2078 8.2078 8.5472 8.5472 10.7238 10.7238 11.7883 11.7883 11.9397 11.9397 12.0202 12.0202 12.0886 12.0886 k = 0.2291 0.5748-0.0000 ( 2504 PWs) bands (ev): -31.9816 -31.9816 -31.9520 -31.9520 -13.0547 -13.0547 -12.9747 -12.9747 -11.6986 -11.6986 -11.6294 -11.6294 -11.5458 -11.5458 -11.4314 -11.4314 0.2986 0.2986 4.1547 4.1547 5.7274 5.7274 7.7542 7.7542 8.1918 8.1918 8.5315 8.5315 10.7118 10.7118 11.7983 11.7983 11.8923 11.8923 12.0478 12.0478 12.0786 12.0786 k = 0.2358 0.5917-0.0000 ( 2512 PWs) bands (ev): -31.9811 -31.9811 -31.9525 -31.9525 -13.0531 -13.0531 -12.9769 -12.9769 -11.6971 -11.6971 -11.6306 -11.6306 -11.5451 -11.5451 -11.4332 -11.4332 0.3126 0.3126 4.1504 4.1504 5.7328 5.7328 7.7507 7.7507 8.1783 8.1783 8.5161 8.5161 10.7036 10.7036 11.7764 11.7764 11.8342 11.8342 12.0749 12.0749 12.1057 12.1057 k = 0.2425 0.6086-0.0000 ( 2508 PWs) bands (ev): -31.9805 -31.9805 -31.9530 -31.9530 -13.0514 -13.0514 -12.9790 -12.9790 -11.6957 -11.6957 -11.6317 -11.6317 -11.5443 -11.5443 -11.4351 -11.4351 0.3241 0.3241 4.1409 4.1409 5.7443 5.7443 7.7564 7.7564 8.1671 8.1671 8.5010 8.5010 10.6991 10.6991 11.7311 11.7311 11.7737 11.7737 12.1057 12.1057 12.1487 12.1487 k = 0.2493 0.6255-0.0000 ( 2508 PWs) bands (ev): -31.9800 -31.9800 -31.9535 -31.9535 -13.0497 -13.0497 -12.9809 -12.9809 -11.6943 -11.6943 -11.6325 -11.6325 -11.5435 -11.5435 -11.4371 -11.4371 0.3331 0.3331 4.1265 4.1265 5.7618 5.7618 7.7711 7.7711 8.1583 8.1583 8.4864 8.4864 10.6983 10.6983 11.6727 11.6727 11.7123 11.7123 12.1414 12.1414 12.1944 12.1944 k = 0.2560 0.6424-0.0000 ( 2506 PWs) bands (ev): -31.9794 -31.9794 -31.9541 -31.9541 -13.0479 -13.0479 -12.9828 -12.9828 -11.6928 -11.6928 -11.6331 -11.6331 -11.5425 -11.5425 -11.4391 -11.4391 0.3394 0.3394 4.1072 4.1072 5.7854 5.7854 7.7949 7.7949 8.1521 8.1521 8.4724 8.4724 10.7012 10.7012 11.6071 11.6071 11.6503 11.6503 12.1779 12.1779 12.2408 12.2408 k = 0.2628 0.6593-0.0000 ( 2506 PWs) bands (ev): -31.9789 -31.9789 -31.9546 -31.9546 -13.0461 -13.0461 -12.9845 -12.9845 -11.6913 -11.6913 -11.6334 -11.6334 -11.5416 -11.5416 -11.4411 -11.4411 0.3432 0.3432 4.0832 4.0832 5.8149 5.8149 7.8275 7.8275 8.1484 8.1484 8.4589 8.4589 10.7079 10.7079 11.5370 11.5370 11.5878 11.5878 12.2130 12.2130 12.2872 12.2872 k = 0.2695 0.6762-0.0000 ( 2506 PWs) bands (ev): -31.9784 -31.9784 -31.9552 -31.9552 -13.0442 -13.0442 -12.9860 -12.9860 -11.6898 -11.6898 -11.6334 -11.6334 -11.5405 -11.5405 -11.4431 -11.4431 0.3445 0.3445 4.0548 4.0548 5.8504 5.8504 7.8685 7.8685 8.1474 8.1474 8.4462 8.4462 10.7183 10.7183 11.4641 11.4641 11.5252 11.5252 12.2458 12.2458 12.3332 12.3332 k = 0.2762 0.6931-0.0000 ( 2506 PWs) bands (ev): -31.9779 -31.9779 -31.9557 -31.9557 -13.0423 -13.0423 -12.9875 -12.9875 -11.6883 -11.6883 -11.6332 -11.6332 -11.5395 -11.5395 -11.4452 -11.4452 0.3433 0.3433 4.0225 4.0225 5.8917 5.8917 7.9173 7.9173 8.1492 8.1492 8.4342 8.4342 10.7323 10.7323 11.3892 11.3892 11.4624 11.4624 12.2759 12.2759 12.3787 12.3787 k = 0.2830 0.7100-0.0000 ( 2514 PWs) bands (ev): -31.9775 -31.9775 -31.9563 -31.9563 -13.0403 -13.0403 -12.9888 -12.9888 -11.6868 -11.6868 -11.6327 -11.6327 -11.5384 -11.5384 -11.4473 -11.4473 0.3397 0.3397 3.9865 3.9865 5.9386 5.9386 7.9730 7.9730 8.1545 8.1545 8.4231 8.4231 10.7500 10.7500 11.3130 11.3130 11.3996 11.3996 12.3035 12.3035 12.4232 12.4232 k = 0.2897 0.7269-0.0000 ( 2518 PWs) bands (ev): -31.9770 -31.9770 -31.9569 -31.9569 -13.0383 -13.0383 -12.9899 -12.9899 -11.6853 -11.6853 -11.6320 -11.6320 -11.5374 -11.5374 -11.4495 -11.4495 0.3338 0.3338 3.9474 3.9474 5.9911 5.9911 8.0336 8.0336 8.1646 8.1646 8.4130 8.4130 10.7712 10.7712 11.2361 11.2361 11.3369 11.3369 12.3289 12.3289 12.4665 12.4665 k = 0.2897 0.7269-0.0000 ( 2518 PWs) bands (ev): -31.9770 -31.9770 -31.9569 -31.9569 -13.0383 -13.0383 -12.9899 -12.9899 -11.6853 -11.6853 -11.6320 -11.6320 -11.5374 -11.5374 -11.4495 -11.4495 0.3338 0.3338 3.9474 3.9474 5.9911 5.9911 8.0336 8.0336 8.1646 8.1646 8.4130 8.4130 10.7712 10.7712 11.2361 11.2361 11.3369 11.3369 12.3289 12.3289 12.4665 12.4665 k = 0.2716 0.7269-0.0000 ( 2512 PWs) bands (ev): -31.9772 -31.9772 -31.9567 -31.9567 -13.0391 -13.0391 -12.9895 -12.9895 -11.6859 -11.6859 -11.6322 -11.6322 -11.5378 -11.5378 -11.4486 -11.4486 0.3361 0.3361 3.9619 3.9619 5.9732 5.9732 8.0052 8.0052 8.1599 8.1599 8.4191 8.4191 10.7617 10.7617 11.2621 11.2621 11.3667 11.3667 12.3215 12.3215 12.4530 12.4530 k = 0.2535 0.7269-0.0000 ( 2511 PWs) bands (ev): -31.9774 -31.9774 -31.9564 -31.9564 -13.0400 -13.0400 -12.9889 -12.9889 -11.6867 -11.6867 -11.6324 -11.6324 -11.5383 -11.5383 -11.4477 -11.4477 0.3377 0.3377 3.9754 3.9754 5.9604 5.9604 7.9671 7.9671 8.1565 8.1565 8.4285 8.4285 10.7502 10.7502 11.2838 11.2838 11.4080 11.4080 12.3180 12.3180 12.4441 12.4441 k = 0.2354 0.7269-0.0000 ( 2513 PWs) bands (ev): -31.9776 -31.9776 -31.9561 -31.9561 -13.0410 -13.0410 -12.9882 -12.9882 -11.6875 -11.6875 -11.6324 -11.6324 -11.5387 -11.5387 -11.4467 -11.4467 0.3388 0.3388 3.9876 3.9876 5.9528 5.9528 7.9219 7.9219 8.1543 8.1543 8.4390 8.4390 10.7369 10.7369 11.3037 11.3037 11.4567 11.4567 12.3196 12.3196 12.4399 12.4399 k = 0.2173 0.7269-0.0000 ( 2513 PWs) bands (ev): -31.9779 -31.9779 -31.9559 -31.9559 -13.0419 -13.0419 -12.9875 -12.9875 -11.6884 -11.6884 -11.6323 -11.6323 -11.5392 -11.5392 -11.4457 -11.4457 0.3395 0.3395 3.9984 3.9984 5.9502 5.9502 7.8720 7.8720 8.1532 8.1532 8.4491 8.4491 10.7221 10.7221 11.3236 11.3236 11.5086 11.5086 12.3278 12.3278 12.4403 12.4403 k = 0.1992 0.7269-0.0000 ( 2519 PWs) bands (ev): -31.9782 -31.9782 -31.9556 -31.9556 -13.0429 -13.0429 -12.9867 -12.9867 -11.6894 -11.6894 -11.6321 -11.6321 -11.5397 -11.5397 -11.4447 -11.4447 0.3398 0.3398 4.0077 4.0077 5.9525 5.9525 7.8190 7.8190 8.1530 8.1530 8.4581 8.4581 10.7061 10.7061 11.3439 11.3439 11.5607 11.5607 12.3439 12.3439 12.4451 12.4451 k = 0.1811 0.7269-0.0000 ( 2517 PWs) bands (ev): -31.9784 -31.9784 -31.9553 -31.9553 -13.0438 -13.0438 -12.9859 -12.9859 -11.6904 -11.6904 -11.6319 -11.6319 -11.5402 -11.5402 -11.4437 -11.4437 0.3399 0.3399 4.0156 4.0156 5.9592 5.9592 7.7644 7.7644 8.1534 8.1534 8.4655 8.4655 10.6894 10.6894 11.3645 11.3645 11.6102 11.6102 12.3689 12.3689 12.4541 12.4541 k = 0.1630 0.7269-0.0000 ( 2511 PWs) bands (ev): -31.9786 -31.9786 -31.9550 -31.9550 -13.0447 -13.0447 -12.9852 -12.9852 -11.6913 -11.6913 -11.6317 -11.6317 -11.5407 -11.5407 -11.4428 -11.4428 0.3397 0.3397 4.0221 4.0221 5.9699 5.9699 7.7096 7.7096 8.1542 8.1542 8.4714 8.4714 10.6724 10.6724 11.3850 11.3850 11.6552 11.6552 12.4028 12.4028 12.4670 12.4670 k = 0.1449 0.7269-0.0000 ( 2511 PWs) bands (ev): -31.9789 -31.9789 -31.9548 -31.9548 -13.0456 -13.0456 -12.9845 -12.9845 -11.6923 -11.6923 -11.6314 -11.6314 -11.5411 -11.5411 -11.4419 -11.4419 0.3393 0.3393 4.0272 4.0272 5.9839 5.9839 7.6556 7.6556 8.1554 8.1554 8.4759 8.4759 10.6556 10.6556 11.4048 11.4048 11.6946 11.6946 12.4432 12.4432 12.4852 12.4852 k = 0.1267 0.7269-0.0000 ( 2509 PWs) bands (ev): -31.9791 -31.9791 -31.9545 -31.9545 -13.0463 -13.0463 -12.9839 -12.9839 -11.6931 -11.6931 -11.6311 -11.6311 -11.5415 -11.5415 -11.4410 -11.4410 0.3389 0.3389 4.0312 4.0312 6.0003 6.0003 7.6036 7.6036 8.1567 8.1567 8.4791 8.4791 10.6395 10.6395 11.4233 11.4233 11.7278 11.7278 12.4788 12.4788 12.5173 12.5173 k = 0.1086 0.7269-0.0000 ( 2507 PWs) bands (ev): -31.9793 -31.9793 -31.9543 -31.9543 -13.0470 -13.0470 -12.9833 -12.9833 -11.6939 -11.6939 -11.6309 -11.6309 -11.5419 -11.5419 -11.4403 -11.4403 0.3384 0.3384 4.0341 4.0341 6.0180 6.0180 7.5549 7.5549 8.1582 8.1582 8.4813 8.4813 10.6246 10.6246 11.4399 11.4399 11.7552 11.7552 12.5016 12.5016 12.5681 12.5681 k = 0.0905 0.7269-0.0000 ( 2503 PWs) bands (ev): -31.9794 -31.9794 -31.9541 -31.9541 -13.0476 -13.0476 -12.9828 -12.9828 -11.6946 -11.6946 -11.6306 -11.6306 -11.5422 -11.5422 -11.4396 -11.4396 0.3379 0.3379 4.0362 4.0362 6.0361 6.0361 7.5106 7.5106 8.1596 8.1596 8.4827 8.4827 10.6112 10.6112 11.4542 11.4542 11.7773 11.7773 12.5193 12.5193 12.6247 12.6247 k = 0.0724 0.7269-0.0000 ( 2507 PWs) bands (ev): -31.9796 -31.9796 -31.9539 -31.9539 -13.0481 -13.0481 -12.9824 -12.9824 -11.6952 -11.6952 -11.6304 -11.6304 -11.5425 -11.5425 -11.4391 -11.4391 0.3374 0.3374 4.0377 4.0377 6.0533 6.0533 7.4719 7.4719 8.1608 8.1608 8.4836 8.4836 10.5997 10.5997 11.4660 11.4660 11.7948 11.7948 12.5346 12.5346 12.6798 12.6798 k = 0.0543 0.7269-0.0000 ( 2505 PWs) bands (ev): -31.9797 -31.9797 -31.9538 -31.9538 -13.0485 -13.0485 -12.9820 -12.9820 -11.6957 -11.6957 -11.6302 -11.6302 -11.5427 -11.5427 -11.4386 -11.4386 0.3370 0.3370 4.0386 4.0386 6.0683 6.0683 7.4402 7.4402 8.1619 8.1619 8.4840 8.4840 10.5905 10.5905 11.4752 11.4752 11.8081 11.8081 12.5474 12.5474 12.7282 12.7282 k = 0.0362 0.7269-0.0000 ( 2504 PWs) bands (ev): -31.9798 -31.9798 -31.9537 -31.9537 -13.0488 -13.0488 -12.9818 -12.9818 -11.6960 -11.6960 -11.6301 -11.6301 -11.5428 -11.5428 -11.4383 -11.4383 0.3367 0.3367 4.0392 4.0392 6.0800 6.0800 7.4165 7.4165 8.1627 8.1627 8.4843 8.4843 10.5837 10.5837 11.4817 11.4817 11.8175 11.8175 12.5570 12.5570 12.7659 12.7659 k = 0.0181 0.7269-0.0000 ( 2504 PWs) bands (ev): -31.9798 -31.9798 -31.9537 -31.9537 -13.0490 -13.0490 -12.9817 -12.9817 -11.6962 -11.6962 -11.6300 -11.6300 -11.5429 -11.5429 -11.4381 -11.4381 0.3365 0.3365 4.0395 4.0395 6.0875 6.0875 7.4019 7.4019 8.1633 8.1633 8.4844 8.4844 10.5796 10.5796 11.4856 11.4856 11.8231 11.8231 12.5631 12.5631 12.7899 12.7899 k = 0.0000 0.7269-0.0000 ( 2496 PWs) bands (ev): -31.9798 -31.9798 -31.9536 -31.9536 -13.0490 -13.0490 -12.9816 -12.9816 -11.6963 -11.6963 -11.6300 -11.6300 -11.5429 -11.5429 -11.4381 -11.4381 0.3365 0.3365 4.0396 4.0396 6.0901 6.0901 7.3969 7.3969 8.1634 8.1634 8.4844 8.4844 10.5782 10.5782 11.4869 11.4869 11.8250 11.8250 12.5651 12.5651 12.7980 12.7980 k = 0.0000 0.7269-0.0000 ( 2496 PWs) bands (ev): -31.9798 -31.9798 -31.9536 -31.9536 -13.0490 -13.0490 -12.9816 -12.9816 -11.6963 -11.6963 -11.6300 -11.6300 -11.5429 -11.5429 -11.4381 -11.4381 0.3365 0.3365 4.0396 4.0396 6.0901 6.0901 7.3969 7.3969 8.1634 8.1634 8.4844 8.4844 10.5782 10.5782 11.4869 11.4869 11.8250 11.8250 12.5651 12.5651 12.7980 12.7980 k = 0.0000 0.7269 0.0183 ( 2498 PWs) bands (ev): -31.9798 -31.9798 -31.9536 -31.9536 -13.0490 -13.0490 -12.9817 -12.9817 -11.6963 -11.6963 -11.6300 -11.6300 -11.5431 -11.5431 -11.4382 -11.4382 0.3374 0.3374 4.0379 4.0379 6.0914 6.0914 7.3985 7.3985 8.1604 8.1604 8.4835 8.4835 10.5756 10.5756 11.4856 11.4856 11.8284 11.8284 12.5644 12.5644 12.7993 12.7993 k = 0.0000 0.7269 0.0365 ( 2512 PWs) bands (ev): -31.9798 -31.9798 -31.9537 -31.9537 -13.0490 -13.0490 -12.9818 -12.9818 -11.6964 -11.6964 -11.6298 -11.6298 -11.5435 -11.5435 -11.4386 -11.4386 0.3404 0.3404 4.0328 4.0328 6.0953 6.0953 7.4032 7.4032 8.1514 8.1514 8.4811 8.4811 10.5679 10.5679 11.4813 11.4813 11.8388 11.8388 12.5625 12.5625 12.8030 12.8030 k = 0.0000 0.7269 0.0548 ( 2514 PWs) bands (ev): -31.9797 -31.9797 -31.9536 -31.9536 -13.0491 -13.0491 -12.9821 -12.9821 -11.6967 -11.6967 -11.6295 -11.6295 -11.5441 -11.5441 -11.4392 -11.4392 0.3453 0.3453 4.0243 4.0243 6.1018 6.1018 7.4111 7.4111 8.1367 8.1367 8.4770 8.4770 10.5552 10.5552 11.4733 11.4733 11.8569 11.8569 12.5594 12.5594 12.8091 12.8091 k = 0.0000 0.7269 0.0730 ( 2512 PWs) bands (ev): -31.9796 -31.9796 -31.9536 -31.9536 -13.0491 -13.0491 -12.9825 -12.9825 -11.6969 -11.6969 -11.6291 -11.6291 -11.5451 -11.5451 -11.4400 -11.4400 0.3521 0.3521 4.0123 4.0123 6.1110 6.1110 7.4219 7.4219 8.1168 8.1168 8.4714 8.4714 10.5376 10.5376 11.4605 11.4605 11.8832 11.8832 12.5556 12.5556 12.8178 12.8178 k = 0.0000 0.7269 0.0913 ( 2506 PWs) bands (ev): -31.9794 -31.9794 -31.9536 -31.9536 -13.0492 -13.0492 -12.9830 -12.9830 -11.6973 -11.6973 -11.6286 -11.6286 -11.5462 -11.5462 -11.4411 -11.4411 0.3609 0.3609 3.9968 3.9968 6.1229 6.1229 7.4356 7.4356 8.0922 8.0922 8.4644 8.4644 10.5154 10.5154 11.4424 11.4424 11.9179 11.9179 12.5516 12.5516 12.8291 12.8291 k = 0.0000 0.7269 0.1095 ( 2508 PWs) bands (ev): -31.9791 -31.9791 -31.9536 -31.9536 -13.0492 -13.0492 -12.9836 -12.9836 -11.6977 -11.6977 -11.6280 -11.6280 -11.5476 -11.5476 -11.4425 -11.4425 0.3716 0.3716 3.9778 3.9778 6.1375 6.1375 7.4520 7.4520 8.0637 8.0637 8.4561 8.4561 10.4889 10.4889 11.4189 11.4189 11.9606 11.9606 12.5479 12.5479 12.8429 12.8429 k = 0.0000 0.7269 0.1278 ( 2508 PWs) bands (ev): -31.9789 -31.9789 -31.9536 -31.9536 -13.0493 -13.0493 -12.9843 -12.9843 -11.6982 -11.6982 -11.6274 -11.6274 -11.5493 -11.5493 -11.4440 -11.4440 0.3843 0.3843 3.9552 3.9552 6.1549 6.1549 7.4710 7.4710 8.0320 8.0320 8.4468 8.4468 10.4584 10.4584 11.3901 11.3901 12.0105 12.0105 12.5448 12.5448 12.8594 12.8594 k = 0.0000 0.7269 0.1461 ( 2506 PWs) bands (ev): -31.9786 -31.9786 -31.9536 -31.9536 -13.0494 -13.0494 -12.9852 -12.9852 -11.6988 -11.6988 -11.6266 -11.6266 -11.5511 -11.5511 -11.4458 -11.4458 0.3989 0.3989 3.9289 3.9289 6.1750 6.1750 7.4922 7.4922 7.9979 7.9979 8.4367 8.4367 10.4244 10.4244 11.3565 11.3565 12.0664 12.0664 12.5431 12.5431 12.8784 12.8784 k = 0.0000 0.7269 0.1643 ( 2500 PWs) bands (ev): -31.9782 -31.9782 -31.9536 -31.9536 -13.0495 -13.0495 -12.9861 -12.9861 -11.6994 -11.6994 -11.6259 -11.6259 -11.5531 -11.5531 -11.4477 -11.4477 0.4155 0.4155 3.8989 3.8989 6.1979 6.1979 7.5153 7.5153 7.9623 7.9623 8.4259 8.4259 10.3871 10.3871 11.3188 11.3188 12.1272 12.1272 12.5430 12.5430 12.9002 12.9002 k = 0.0000 0.7269 0.1826 ( 2494 PWs) bands (ev): -31.9778 -31.9778 -31.9535 -31.9535 -13.0496 -13.0496 -12.9871 -12.9871 -11.7000 -11.7000 -11.6250 -11.6250 -11.5554 -11.5554 -11.4498 -11.4498 0.4340 0.4340 3.8653 3.8653 6.2235 6.2235 7.5399 7.5399 7.9258 7.9258 8.4147 8.4147 10.3470 10.3470 11.2775 11.2775 12.1915 12.1915 12.5449 12.5449 12.9246 12.9246 k = 0.0000 0.7269 0.2008 ( 2498 PWs) bands (ev): -31.9774 -31.9774 -31.9536 -31.9536 -13.0497 -13.0497 -12.9883 -12.9883 -11.7006 -11.7006 -11.6241 -11.6241 -11.5577 -11.5577 -11.4521 -11.4521 0.4544 0.4544 3.8279 3.8279 6.2519 6.2519 7.5655 7.5655 7.8891 7.8891 8.4036 8.4036 10.3045 10.3045 11.2333 11.2333 12.2583 12.2583 12.5493 12.5493 12.9517 12.9517 k = 0.0000 0.7269 0.2191 ( 2500 PWs) bands (ev): -31.9770 -31.9770 -31.9536 -31.9536 -13.0498 -13.0498 -12.9895 -12.9895 -11.7013 -11.7013 -11.6233 -11.6233 -11.5602 -11.5602 -11.4546 -11.4546 0.4768 0.4768 3.7869 3.7869 6.2831 6.2831 7.5914 7.5914 7.8531 7.8531 8.3930 8.3930 10.2602 10.2602 11.1866 11.1866 12.3264 12.3264 12.5564 12.5564 12.9813 12.9813 k = 0.0000 0.7269 0.2373 ( 2500 PWs) bands (ev): -31.9765 -31.9765 -31.9536 -31.9536 -13.0500 -13.0500 -12.9908 -12.9908 -11.7019 -11.7019 -11.6225 -11.6225 -11.5627 -11.5627 -11.4572 -11.4572 0.5011 0.5011 3.7423 3.7423 6.3169 6.3169 7.6170 7.6170 7.8183 7.8183 8.3834 8.3834 10.2143 10.2143 11.1380 11.1380 12.3948 12.3948 12.5664 12.5664 13.0133 13.0133 k = 0.0000 0.7269 0.2556 ( 2502 PWs) bands (ev): -31.9760 -31.9760 -31.9536 -31.9536 -13.0501 -13.0501 -12.9922 -12.9922 -11.7026 -11.7026 -11.6217 -11.6217 -11.5653 -11.5653 -11.4599 -11.4599 0.5274 0.5274 3.6943 3.6943 6.3532 6.3532 7.6412 7.6412 7.7855 7.7855 8.3755 8.3755 10.1674 10.1674 11.0878 11.0878 12.4626 12.4626 12.5796 12.5796 13.0474 13.0474 k = 0.0000 0.7269 0.2739 ( 2506 PWs) bands (ev): -31.9755 -31.9755 -31.9537 -31.9537 -13.0502 -13.0502 -12.9937 -12.9937 -11.7032 -11.7032 -11.6211 -11.6211 -11.5678 -11.5678 -11.4627 -11.4627 0.5555 0.5555 3.6428 3.6428 6.3920 6.3920 7.6624 7.6624 7.7559 7.7559 8.3698 8.3698 10.1198 10.1198 11.0364 11.0364 12.5290 12.5290 12.5963 12.5963 13.0833 13.0833 k = 0.0000 0.7269 0.2921 ( 2506 PWs) bands (ev): -31.9749 -31.9749 -31.9537 -31.9537 -13.0503 -13.0503 -12.9953 -12.9953 -11.7038 -11.7038 -11.6206 -11.6206 -11.5703 -11.5703 -11.4657 -11.4657 0.5856 0.5856 3.5881 3.5881 6.4330 6.4330 7.6769 7.6769 7.7326 7.7326 8.3671 8.3671 10.0720 10.0720 10.9843 10.9843 12.5921 12.5921 12.6179 12.6179 13.1204 13.1204 k = 0.0000 0.7269 0.3104 ( 2500 PWs) bands (ev): -31.9743 -31.9743 -31.9537 -31.9537 -13.0504 -13.0504 -12.9969 -12.9969 -11.7044 -11.7044 -11.6203 -11.6203 -11.5726 -11.5726 -11.4687 -11.4687 0.6176 0.6176 3.5304 3.5304 6.4761 6.4761 7.6756 7.6756 7.7241 7.7241 8.3681 8.3681 10.0243 10.0243 10.9316 10.9316 12.6347 12.6347 12.6613 12.6613 13.1579 13.1579 k = 0.0000 0.7269 0.3286 ( 2502 PWs) bands (ev): -31.9737 -31.9737 -31.9538 -31.9538 -13.0504 -13.0504 -12.9987 -12.9987 -11.7049 -11.7049 -11.6204 -11.6204 -11.5746 -11.5746 -11.4718 -11.4718 0.6515 0.6515 3.4697 3.4697 6.5210 6.5210 7.6600 7.6600 7.7286 7.7286 8.3732 8.3732 9.9772 9.9772 10.8786 10.8786 12.6629 12.6629 12.7205 12.7205 13.1951 13.1951 k = 0.0000 0.7269 0.3469 ( 2502 PWs) bands (ev): -31.9731 -31.9731 -31.9538 -31.9538 -13.0505 -13.0505 -13.0004 -13.0004 -11.7054 -11.7054 -11.6209 -11.6209 -11.5762 -11.5762 -11.4749 -11.4749 0.6872 0.6872 3.4064 3.4064 6.5675 6.5675 7.6421 7.6421 7.7336 7.7336 8.3828 8.3828 9.9311 9.9311 10.8257 10.8257 12.6931 12.6931 12.7788 12.7788 13.2312 13.2312 k = 0.0000 0.7269 0.3651 ( 2498 PWs) bands (ev): -31.9725 -31.9725 -31.9539 -31.9539 -13.0505 -13.0505 -13.0023 -13.0023 -11.7057 -11.7057 -11.6218 -11.6218 -11.5774 -11.5774 -11.4782 -11.4782 0.7249 0.7249 3.3407 3.3407 6.6152 6.6152 7.6261 7.6261 7.7349 7.7349 8.3966 8.3966 9.8863 9.8863 10.7729 10.7729 12.7266 12.7266 12.8352 12.8352 13.2656 13.2656 k = 0.0000 0.7269 0.3834 ( 2498 PWs) bands (ev): -31.9718 -31.9718 -31.9540 -31.9540 -13.0505 -13.0505 -13.0042 -13.0042 -11.7060 -11.7060 -11.6232 -11.6232 -11.5782 -11.5782 -11.4814 -11.4814 0.7644 0.7644 3.2727 3.2727 6.6638 6.6638 7.6133 7.6133 7.7318 7.7318 8.4140 8.4140 9.8434 9.8434 10.7205 10.7205 12.7634 12.7634 12.8897 12.8897 13.2981 13.2981 k = 0.0000 0.7269 0.4016 ( 2500 PWs) bands (ev): -31.9712 -31.9712 -31.9541 -31.9541 -13.0505 -13.0505 -13.0061 -13.0061 -11.7062 -11.7062 -11.6251 -11.6251 -11.5784 -11.5784 -11.4847 -11.4847 0.8058 0.8058 3.2027 3.2027 6.7128 6.7128 7.6042 7.6042 7.7243 7.7243 8.4343 8.4343 9.8028 9.8028 10.6685 10.6685 12.8036 12.8036 12.9426 12.9426 13.3286 13.3286 k = 0.0000 0.7269 0.4199 ( 2502 PWs) bands (ev): -31.9705 -31.9705 -31.9542 -31.9542 -13.0504 -13.0504 -13.0081 -13.0081 -11.7063 -11.7063 -11.6274 -11.6274 -11.5782 -11.5782 -11.4880 -11.4880 0.8490 0.8490 3.1310 3.1310 6.7617 6.7617 7.5992 7.5992 7.7129 7.7129 8.4562 8.4562 9.7652 9.7652 10.6172 10.6172 12.8469 12.8469 12.9939 12.9939 13.3574 13.3574 k = 0.0000 0.7269 0.4382 ( 2500 PWs) bands (ev): -31.9698 -31.9698 -31.9544 -31.9544 -13.0503 -13.0503 -13.0101 -13.0101 -11.7063 -11.7063 -11.6302 -11.6302 -11.5776 -11.5776 -11.4913 -11.4913 0.8941 0.8941 3.0578 3.0578 6.8100 6.8100 7.5985 7.5985 7.6983 7.6983 8.4784 8.4784 9.7310 9.7310 10.5666 10.5666 12.8934 12.8934 13.0440 13.0440 13.3848 13.3848 k = 0.0000 0.7269 0.4564 ( 2498 PWs) bands (ev): -31.9691 -31.9691 -31.9545 -31.9545 -13.0502 -13.0502 -13.0121 -13.0121 -11.7061 -11.7061 -11.6332 -11.6332 -11.5766 -11.5766 -11.4946 -11.4946 0.9410 0.9410 2.9833 2.9833 6.8572 6.8572 7.6021 7.6021 7.6816 7.6816 8.4995 8.4995 9.7009 9.7009 10.5168 10.5168 12.9428 12.9428 13.0929 13.0929 13.4111 13.4111 k = 0.0000 0.7269 0.4747 ( 2494 PWs) bands (ev): -31.9684 -31.9684 -31.9547 -31.9547 -13.0500 -13.0500 -13.0142 -13.0142 -11.7058 -11.7058 -11.6365 -11.6365 -11.5753 -11.5753 -11.4979 -11.4979 0.9897 0.9897 2.9078 2.9078 6.9027 6.9027 7.6087 7.6087 7.6648 7.6648 8.5180 8.5180 9.6756 9.6756 10.4679 10.4679 12.9948 12.9948 13.1408 13.1408 13.4366 13.4366 k = 0.0000 0.7269 0.4929 ( 2492 PWs) bands (ev): -31.9678 -31.9678 -31.9549 -31.9549 -13.0497 -13.0497 -13.0162 -13.0162 -11.7054 -11.7054 -11.6400 -11.6400 -11.5737 -11.5737 -11.5012 -11.5012 1.0401 1.0401 2.8314 2.8314 6.9460 6.9460 7.6120 7.6120 7.6550 7.6550 8.5328 8.5328 9.6557 9.6557 10.4199 10.4199 13.0492 13.0492 13.1878 13.1878 13.4615 13.4615 k = 0.0000 0.7269 0.5112 ( 2494 PWs) bands (ev): -31.9671 -31.9671 -31.9551 -31.9551 -13.0494 -13.0494 -13.0182 -13.0182 -11.7048 -11.7048 -11.6436 -11.6436 -11.5719 -11.5719 -11.5044 -11.5044 1.0924 1.0924 2.7544 2.7544 6.9866 6.9866 7.6006 7.6006 7.6644 7.6644 8.5425 8.5425 9.6418 9.6418 10.3728 10.3728 13.1055 13.1055 13.2339 13.2339 13.4861 13.4861 k = 0.0000 0.7269 0.5294 ( 2492 PWs) bands (ev): -31.9664 -31.9664 -31.9554 -31.9554 -13.0490 -13.0490 -13.0203 -13.0203 -11.7040 -11.7040 -11.6472 -11.6472 -11.5699 -11.5699 -11.5077 -11.5077 1.1463 1.1463 2.6770 2.6770 7.0244 7.0244 7.5799 7.5799 7.6879 7.6879 8.5463 8.5463 9.6342 9.6342 10.3267 10.3267 13.1631 13.1631 13.2792 13.2792 13.5104 13.5104 k = 0.0000 0.7269 0.5477 ( 2492 PWs) bands (ev): -31.9657 -31.9657 -31.9556 -31.9556 -13.0486 -13.0486 -13.0223 -13.0223 -11.7031 -11.7031 -11.6509 -11.6509 -11.5678 -11.5678 -11.5110 -11.5110 1.2020 1.2020 2.5994 2.5994 7.0592 7.0592 7.5563 7.5563 7.7190 7.7190 8.5436 8.5436 9.6330 9.6330 10.2815 10.2815 13.2215 13.2215 13.3236 13.3236 13.5345 13.5345 k = 0.0000 0.7269 0.5660 ( 2490 PWs) bands (ev): -31.9650 -31.9650 -31.9559 -31.9559 -13.0480 -13.0480 -13.0242 -13.0242 -11.7020 -11.7020 -11.6547 -11.6547 -11.5656 -11.5656 -11.5142 -11.5142 1.2594 1.2594 2.5217 2.5217 7.0911 7.0911 7.5315 7.5315 7.7560 7.7560 8.5341 8.5341 9.6383 9.6383 10.2372 10.2372 13.2797 13.2797 13.3669 13.3669 13.5582 13.5582 k = 0.0000 0.7269 0.5842 ( 2500 PWs) bands (ev): -31.9644 -31.9644 -31.9563 -31.9563 -13.0474 -13.0474 -13.0261 -13.0261 -11.7008 -11.7008 -11.6583 -11.6583 -11.5632 -11.5632 -11.5174 -11.5174 1.3184 1.3184 2.4442 2.4442 7.1205 7.1205 7.5063 7.5063 7.7978 7.7978 8.5178 8.5178 9.6495 9.6495 10.1938 10.1938 13.3368 13.3368 13.4092 13.4092 13.5817 13.5817 k = 0.0000 0.7269 0.6025 ( 2504 PWs) bands (ev): -31.9638 -31.9638 -31.9566 -31.9566 -13.0467 -13.0467 -13.0280 -13.0280 -11.6994 -11.6994 -11.6620 -11.6620 -11.5608 -11.5608 -11.5205 -11.5205 1.3790 1.3790 2.3669 2.3669 7.1477 7.1477 7.4809 7.4809 7.8434 7.8434 8.4952 8.4952 9.6661 9.6661 10.1512 10.1512 13.3916 13.3916 13.4500 13.4500 13.6047 13.6047 k = 0.0000 0.7269 0.6207 ( 2496 PWs) bands (ev): -31.9631 -31.9631 -31.9570 -31.9570 -13.0459 -13.0459 -13.0299 -13.0299 -11.6977 -11.6977 -11.6655 -11.6655 -11.5583 -11.5583 -11.5237 -11.5237 1.4412 1.4412 2.2901 2.2901 7.1731 7.1731 7.4557 7.4557 7.8921 7.8921 8.4666 8.4666 9.6873 9.6873 10.1095 10.1095 13.4429 13.4429 13.4889 13.4889 13.6275 13.6275 k = 0.0000 0.7269 0.6390 ( 2500 PWs) bands (ev): -31.9625 -31.9625 -31.9574 -31.9574 -13.0451 -13.0451 -13.0316 -13.0316 -11.6960 -11.6960 -11.6690 -11.6690 -11.5557 -11.5557 -11.5268 -11.5268 1.5049 1.5049 2.2138 2.2138 7.1973 7.1973 7.4307 7.4307 7.9431 7.9431 8.4328 8.4328 9.7125 9.7125 10.0686 10.0686 13.4894 13.4894 13.5252 13.5252 13.6501 13.6501 k = 0.0000 0.7269 0.6572 ( 2500 PWs) bands (ev): -31.9619 -31.9619 -31.9578 -31.9578 -13.0441 -13.0441 -13.0333 -13.0333 -11.6940 -11.6940 -11.6723 -11.6723 -11.5530 -11.5530 -11.5299 -11.5299 1.5702 1.5702 2.1382 2.1382 7.2206 7.2206 7.4060 7.4060 7.9957 7.9957 8.3944 8.3944 9.7409 9.7409 10.0284 10.0284 13.5299 13.5299 13.5575 13.5575 13.6731 13.6731 k = 0.0000 0.7269 0.6755 ( 2496 PWs) bands (ev): -31.9613 -31.9613 -31.9582 -31.9582 -13.0431 -13.0431 -13.0350 -13.0350 -11.6919 -11.6919 -11.6756 -11.6756 -11.5503 -11.5503 -11.5329 -11.5329 1.6368 1.6368 2.0634 2.0634 7.2435 7.2435 7.3817 7.3817 8.0490 8.0490 8.3521 8.3521 9.7718 9.7718 9.9889 9.9889 13.5632 13.5632 13.5841 13.5841 13.6977 13.6977 k = 0.0000 0.7269 0.6938 ( 2504 PWs) bands (ev): -31.9607 -31.9607 -31.9587 -31.9587 -13.0419 -13.0419 -13.0365 -13.0365 -11.6896 -11.6896 -11.6787 -11.6787 -11.5475 -11.5475 -11.5359 -11.5359 1.7049 1.7049 1.9895 1.9895 7.2660 7.2660 7.3578 7.3578 8.1025 8.1025 8.3064 8.3064 9.8048 9.8048 9.9503 9.9503 13.5887 13.5887 13.6030 13.6030 13.7248 13.7248 k = 0.0000 0.7269 0.7120 ( 2504 PWs) bands (ev): -31.9602 -31.9602 -31.9592 -31.9592 -13.0407 -13.0407 -13.0380 -13.0380 -11.6871 -11.6871 -11.6816 -11.6816 -11.5447 -11.5447 -11.5389 -11.5389 1.7742 1.7742 1.9167 1.9167 7.2886 7.2886 7.3344 7.3344 8.1556 8.1556 8.2581 8.2581 9.8395 9.8395 9.9124 9.9124 13.6057 13.6057 13.6130 13.6130 13.7548 13.7548 k = 0.0000 0.7269 0.7303 ( 2504 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0394 -13.0394 -13.0394 -13.0394 -11.6844 -11.6844 -11.6844 -11.6844 -11.5418 -11.5418 -11.5418 -11.5418 1.8449 1.8449 1.8449 1.8449 7.3114 7.3114 7.3114 7.3114 8.2076 8.2076 8.2076 8.2076 9.8754 9.8754 9.8754 9.8754 13.6139 13.6139 13.6139 13.6139 13.7872 13.7872 k = 0.0000 0.7269 0.7303 ( 2504 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0394 -13.0394 -13.0394 -13.0394 -11.6844 -11.6844 -11.6844 -11.6844 -11.5418 -11.5418 -11.5418 -11.5418 1.8449 1.8449 1.8449 1.8449 7.3114 7.3114 7.3114 7.3114 8.2076 8.2076 8.2076 8.2076 9.8754 9.8754 9.8754 9.8754 13.6139 13.6139 13.6139 13.6139 13.7872 13.7872 k = 0.0181 0.7269 0.7303 ( 2500 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0396 -13.0396 -13.0393 -13.0393 -11.6880 -11.6880 -11.6808 -11.6808 -11.5453 -11.5453 -11.5383 -11.5383 1.8444 1.8444 1.8458 1.8458 7.3066 7.3066 7.3119 7.3119 8.2083 8.2083 8.2089 8.2089 9.8764 9.8764 9.8785 9.8785 13.5987 13.5987 13.5998 13.5998 13.7900 13.7900 k = 0.0362 0.7269 0.7303 ( 2496 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0397 -13.0397 -13.0392 -13.0392 -11.6915 -11.6915 -11.6771 -11.6771 -11.5489 -11.5489 -11.5348 -11.5348 1.8445 1.8445 1.8473 1.8473 7.2979 7.2979 7.3083 7.3083 8.2108 8.2108 8.2121 8.2121 9.8814 9.8814 9.8857 9.8857 13.5606 13.5606 13.5614 13.5614 13.8056 13.8056 k = 0.0543 0.7269 0.7303 ( 2490 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0399 -13.0399 -13.0390 -13.0390 -11.6948 -11.6948 -11.6735 -11.6735 -11.5524 -11.5524 -11.5315 -11.5315 1.8451 1.8451 1.8493 1.8493 7.2854 7.2854 7.3007 7.3007 8.2153 8.2153 8.2169 8.2169 9.8903 9.8903 9.8966 9.8966 13.5051 13.5051 13.5098 13.5098 13.8266 13.8266 k = 0.0724 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0401 -13.0401 -13.0390 -13.0390 -11.6981 -11.6981 -11.6698 -11.6698 -11.5559 -11.5559 -11.5282 -11.5282 1.8461 1.8461 1.8517 1.8517 7.2696 7.2696 7.2894 7.2894 8.2213 8.2213 8.2233 8.2233 9.9030 9.9030 9.9112 9.9112 13.4391 13.4391 13.4482 13.4482 13.8497 13.8497 k = 0.0905 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0402 -13.0402 -13.0389 -13.0389 -11.7011 -11.7011 -11.6662 -11.6662 -11.5592 -11.5592 -11.5250 -11.5250 1.8477 1.8477 1.8545 1.8545 7.2509 7.2509 7.2749 7.2749 8.2286 8.2286 8.2308 8.2308 9.9190 9.9190 9.9289 9.9289 13.3661 13.3661 13.3796 13.3796 13.8738 13.8738 k = 0.1086 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0404 -13.0404 -13.0388 -13.0388 -11.7040 -11.7040 -11.6628 -11.6628 -11.5625 -11.5625 -11.5220 -11.5220 1.8496 1.8496 1.8578 1.8578 7.2299 7.2299 7.2577 7.2577 8.2370 8.2370 8.2392 8.2392 9.9379 9.9379 9.9494 9.9494 13.2884 13.2884 13.3060 13.3060 13.8990 13.8990 k = 0.1267 0.7269 0.7303 ( 2484 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0406 -13.0406 -13.0388 -13.0388 -11.7067 -11.7067 -11.6595 -11.6595 -11.5655 -11.5655 -11.5191 -11.5191 1.8520 1.8520 1.8613 1.8613 7.2072 7.2072 7.2384 7.2384 8.2461 8.2461 8.2482 8.2482 9.9593 9.9593 9.9721 9.9721 13.2082 13.2082 13.2294 13.2294 13.9255 13.9255 k = 0.1449 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0407 -13.0407 -13.0388 -13.0388 -11.7092 -11.7092 -11.6564 -11.6564 -11.5684 -11.5684 -11.5164 -11.5164 1.8547 1.8547 1.8651 1.8651 7.1833 7.1833 7.2174 7.2174 8.2557 8.2557 8.2575 8.2575 9.9824 9.9824 9.9963 9.9963 13.1273 13.1273 13.1515 13.1515 13.9536 13.9536 k = 0.1630 0.7269 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0409 -13.0409 -13.0388 -13.0388 -11.7115 -11.7115 -11.6536 -11.6536 -11.5709 -11.5709 -11.5139 -11.5139 1.8576 1.8576 1.8691 1.8691 7.1588 7.1588 7.1953 7.1953 8.2655 8.2655 8.2670 8.2670 10.0067 10.0067 10.0215 10.0215 13.0473 13.0473 13.0740 13.0740 13.9834 13.9834 k = 0.1811 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0410 -13.0410 -13.0388 -13.0388 -11.7136 -11.7136 -11.6511 -11.6511 -11.5730 -11.5730 -11.5116 -11.5116 1.8608 1.8608 1.8733 1.8733 7.1342 7.1342 7.1727 7.1727 8.2753 8.2753 8.2764 8.2764 10.0315 10.0315 10.0469 10.0469 12.9695 12.9695 12.9984 12.9984 14.0151 14.0151 k = 0.1992 0.7269 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0411 -13.0411 -13.0388 -13.0388 -11.7154 -11.7154 -11.6491 -11.6491 -11.5748 -11.5748 -11.5095 -11.5095 1.8641 1.8641 1.8774 1.8774 7.1099 7.1099 7.1500 7.1500 8.2850 8.2850 8.2856 8.2856 10.0558 10.0558 10.0717 10.0717 12.8954 12.8954 12.9260 12.9260 14.0487 14.0487 k = 0.2173 0.7269 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0412 -13.0412 -13.0388 -13.0388 -11.7170 -11.7170 -11.6475 -11.6475 -11.5760 -11.5760 -11.5076 -11.5076 1.8676 1.8676 1.8816 1.8816 7.0865 7.0865 7.1278 7.1278 8.2943 8.2943 8.2946 8.2946 10.0790 10.0790 10.0951 10.0951 12.8262 12.8262 12.8581 12.8581 14.0841 14.0841 k = 0.2354 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0413 -13.0413 -13.0388 -13.0388 -11.7183 -11.7183 -11.6464 -11.6464 -11.5768 -11.5768 -11.5060 -11.5060 1.8710 1.8710 1.8856 1.8856 7.0643 7.0643 7.1064 7.1064 8.3031 8.3031 8.3033 8.3033 10.1002 10.1002 10.1164 10.1164 12.7628 12.7628 12.7957 12.7957 14.1212 14.1212 k = 0.2535 0.7269 0.7303 ( 2492 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7193 -11.7193 -11.6459 -11.6459 -11.5770 -11.5770 -11.5045 -11.5045 1.8743 1.8743 1.8895 1.8895 7.0436 7.0436 7.0861 7.0861 8.3111 8.3111 8.3117 8.3117 10.1187 10.1187 10.1348 10.1348 12.7063 12.7063 12.7399 12.7399 14.1597 14.1597 k = 0.2716 0.7269 0.7303 ( 2492 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7201 -11.7201 -11.6459 -11.6459 -11.5767 -11.5767 -11.5034 -11.5034 1.8775 1.8775 1.8931 1.8931 7.0248 7.0248 7.0674 7.0674 8.3186 8.3186 8.3195 8.3195 10.1337 10.1337 10.1495 10.1495 12.6575 12.6575 12.6914 12.6914 14.1992 14.1992 k = 0.2897 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7206 -11.7206 -11.6464 -11.6464 -11.5759 -11.5759 -11.5025 -11.5025 1.8805 1.8805 1.8963 1.8963 7.0081 7.0081 7.0505 7.0505 8.3256 8.3256 8.3268 8.3268 10.1446 10.1446 10.1601 10.1601 12.6171 12.6171 12.6510 12.6510 14.2392 14.2392 k = 0.2897 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7206 -11.7206 -11.6464 -11.6464 -11.5759 -11.5759 -11.5025 -11.5025 1.8805 1.8805 1.8963 1.8963 7.0081 7.0081 7.0505 7.0505 8.3256 8.3256 8.3268 8.3268 10.1446 10.1446 10.1601 10.1601 12.6171 12.6171 12.6510 12.6510 14.2392 14.2392 k = 0.2830 0.7100 0.7303 ( 2488 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0414 -13.0414 -13.0388 -13.0388 -11.7195 -11.7195 -11.6445 -11.6445 -11.5786 -11.5786 -11.5046 -11.5046 1.8729 1.8729 1.8882 1.8882 7.0500 7.0500 7.0935 7.0935 8.3074 8.3074 8.3079 8.3079 10.1221 10.1221 10.1388 10.1388 12.7137 12.7137 12.7479 12.7479 14.1303 14.1303 k = 0.2762 0.6931 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0415 -13.0415 -13.0387 -13.0387 -11.7184 -11.7184 -11.6426 -11.6426 -11.5811 -11.5811 -11.5067 -11.5067 1.8655 1.8655 1.8802 1.8802 7.0915 7.0915 7.1361 7.1361 8.2889 8.2889 8.2891 8.2891 10.1017 10.1017 10.1198 10.1198 12.8065 12.8065 12.8413 12.8413 14.0243 14.0243 k = 0.2695 0.6762 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0415 -13.0415 -13.0385 -13.0385 -11.7170 -11.7170 -11.6407 -11.6407 -11.5835 -11.5835 -11.5089 -11.5089 1.8585 1.8585 1.8724 1.8724 7.1322 7.1322 7.1779 7.1779 8.2699 8.2699 8.2708 8.2708 10.0831 10.0831 10.1026 10.1026 12.8934 12.8934 12.9291 12.9291 13.9260 13.9260 k = 0.2628 0.6593 0.7303 ( 2492 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0414 -13.0414 -13.0382 -13.0382 -11.7156 -11.7156 -11.6388 -11.6388 -11.5858 -11.5858 -11.5111 -11.5111 1.8516 1.8516 1.8650 1.8650 7.1721 7.1721 7.2187 7.2187 8.2512 8.2512 8.2527 8.2527 10.0658 10.0658 10.0869 10.0869 12.9707 12.9707 13.0077 13.0077 13.8403 13.8403 k = 0.2560 0.6424 0.7303 ( 2488 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0413 -13.0413 -13.0379 -13.0379 -11.7140 -11.7140 -11.6369 -11.6369 -11.5879 -11.5879 -11.5133 -11.5133 1.8452 1.8452 1.8578 1.8578 7.2107 7.2107 7.2584 7.2584 8.2328 8.2328 8.2349 8.2349 10.0495 10.0495 10.0723 10.0723 13.0330 13.0330 13.0719 13.0719 13.7736 13.7736 k = 0.2493 0.6255 0.7303 ( 2480 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0412 -13.0412 -13.0376 -13.0376 -11.7122 -11.7122 -11.6350 -11.6350 -11.5899 -11.5899 -11.5154 -11.5154 1.8390 1.8390 1.8509 1.8509 7.2479 7.2479 7.2965 7.2965 8.2152 8.2152 8.2177 8.2177 10.0336 10.0336 10.0582 10.0582 13.0733 13.0733 13.1140 13.1140 13.7338 13.7338 k = 0.2425 0.6086 0.7303 ( 2472 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0410 -13.0410 -13.0372 -13.0372 -11.7103 -11.7103 -11.6332 -11.6332 -11.5917 -11.5917 -11.5177 -11.5177 1.8332 1.8332 1.8443 1.8443 7.2834 7.2834 7.3327 7.3327 8.1984 8.1984 8.2014 8.2014 10.0179 10.0179 10.0443 10.0443 13.0860 13.0860 13.1274 13.1274 13.7265 13.7265 k = 0.2358 0.5917 0.7303 ( 2476 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0407 -13.0407 -13.0368 -13.0368 -11.7083 -11.7083 -11.6314 -11.6314 -11.5934 -11.5934 -11.5199 -11.5199 1.8277 1.8277 1.8381 1.8381 7.3169 7.3169 7.3668 7.3668 8.1829 8.1829 8.1862 8.1862 10.0019 10.0019 10.0301 10.0301 13.0726 13.0726 13.1129 13.1129 13.7506 13.7507 k = 0.2291 0.5748 0.7303 ( 2474 PWs) bands (ev): -31.9596 -31.9596 -31.9596 -31.9596 -13.0404 -13.0404 -13.0363 -13.0363 -11.7061 -11.7061 -11.6297 -11.6297 -11.5948 -11.5948 -11.5221 -11.5221 1.8226 1.8226 1.8322 1.8322 7.3480 7.3480 7.3984 7.3984 8.1689 8.1689 8.1724 8.1724 9.9852 9.9852 10.0152 10.0152 13.0411 13.0411 13.0792 13.0792 13.7953 13.7953 k = 0.2223 0.5579 0.7303 ( 2474 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0401 -13.0401 -13.0358 -13.0358 -11.7039 -11.7039 -11.6280 -11.6280 -11.5961 -11.5961 -11.5243 -11.5243 1.8179 1.8179 1.8268 1.8268 7.3765 7.3765 7.4271 7.4271 8.1568 8.1568 8.1602 8.1602 9.9675 9.9675 9.9993 9.9993 13.0008 13.0008 13.0362 13.0362 13.8534 13.8534 k = 0.2156 0.5410 0.7303 ( 2478 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0397 -13.0397 -13.0352 -13.0352 -11.7015 -11.7015 -11.6265 -11.6265 -11.5971 -11.5971 -11.5264 -11.5264 1.8136 1.8136 1.8217 1.8217 7.4021 7.4021 7.4525 7.4525 8.1470 8.1470 8.1501 8.1501 9.9485 9.9485 9.9821 9.9821 12.9584 12.9584 12.9912 12.9912 13.9173 13.9173 k = 0.2089 0.5241 0.7303 ( 2470 PWs) bands (ev): -31.9597 -31.9597 -31.9597 -31.9597 -13.0392 -13.0392 -13.0347 -13.0347 -11.6990 -11.6990 -11.6251 -11.6251 -11.5979 -11.5979 -11.5286 -11.5286 1.8096 1.8096 1.8169 1.8169 7.4245 7.4245 7.4744 7.4744 8.1398 8.1398 8.1422 8.1422 9.9280 9.9280 9.9632 9.9632 12.9182 12.9182 12.9486 12.9486 13.9822 13.9822 k = 0.2021 0.5072 0.7303 ( 2470 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0387 -13.0387 -13.0340 -13.0340 -11.6964 -11.6964 -11.6239 -11.6239 -11.5984 -11.5984 -11.5308 -11.5308 1.8060 1.8060 1.8126 1.8126 7.4434 7.4434 7.4924 7.4924 8.1354 8.1354 8.1368 8.1368 9.9058 9.9058 9.9425 9.9425 12.8825 12.8825 12.9108 12.9108 14.0448 14.0448 k = 0.1954 0.4903 0.7303 ( 2474 PWs) bands (ev): -31.9599 -31.9599 -31.9599 -31.9599 -13.0382 -13.0382 -13.0334 -13.0334 -11.6936 -11.6936 -11.6230 -11.6230 -11.5985 -11.5985 -11.5329 -11.5329 1.8028 1.8028 1.8086 1.8086 7.4588 7.4588 7.5063 7.5063 8.1340 8.1340 8.1342 8.1342 9.8819 9.8819 9.9200 9.9200 12.8528 12.8528 12.8792 12.8792 14.1027 14.1027 k = 0.1886 0.4733 0.7303 ( 2470 PWs) bands (ev): -31.9600 -31.9600 -31.9600 -31.9600 -13.0376 -13.0376 -13.0327 -13.0327 -11.6908 -11.6908 -11.6222 -11.6222 -11.5984 -11.5984 -11.5350 -11.5350 1.7999 1.7999 1.8050 1.8050 7.4704 7.4704 7.5161 7.5161 8.1342 8.1342 8.1358 8.1358 9.8564 9.8564 9.8956 9.8956 12.8297 12.8297 12.8546 12.8546 14.1546 14.1546 k = 0.1819 0.4564 0.7303 ( 2462 PWs) bands (ev): -31.9600 -31.9600 -31.9600 -31.9600 -13.0370 -13.0370 -13.0321 -13.0321 -11.6880 -11.6880 -11.6217 -11.6217 -11.5979 -11.5979 -11.5371 -11.5371 1.7973 1.7973 1.8017 1.8017 7.4784 7.4784 7.5219 7.5219 8.1371 8.1371 8.1406 8.1406 9.8292 9.8292 9.8694 9.8694 12.8135 12.8135 12.8371 12.8371 14.1993 14.1993 k = 0.1752 0.4395 0.7303 ( 2468 PWs) bands (ev): -31.9601 -31.9601 -31.9601 -31.9601 -13.0363 -13.0363 -13.0314 -13.0314 -11.6850 -11.6850 -11.6215 -11.6215 -11.5971 -11.5971 -11.5391 -11.5391 1.7951 1.7951 1.7987 1.7987 7.4829 7.4829 7.5239 7.5239 8.1426 8.1426 8.1482 8.1482 9.8007 9.8007 9.8417 9.8417 12.8043 12.8043 12.8267 12.8267 14.2363 14.2363 k = 0.1684 0.4226 0.7303 ( 2476 PWs) bands (ev): -31.9603 -31.9603 -31.9602 -31.9602 -13.0357 -13.0357 -13.0307 -13.0307 -11.6820 -11.6820 -11.6214 -11.6214 -11.5961 -11.5961 -11.5411 -11.5411 1.7931 1.7931 1.7961 1.7961 7.4842 7.4842 7.5225 7.5225 8.1504 8.1504 8.1582 8.1582 9.7711 9.7711 9.8125 9.8125 12.8016 12.8016 12.8231 12.8231 14.2654 14.2654 k = 0.1617 0.4057 0.7303 ( 2472 PWs) bands (ev): -31.9603 -31.9603 -31.9603 -31.9603 -13.0350 -13.0350 -13.0299 -13.0299 -11.6790 -11.6790 -11.6214 -11.6214 -11.5948 -11.5948 -11.5431 -11.5431 1.7914 1.7914 1.7937 1.7937 7.4826 7.4826 7.5181 7.5181 8.1604 8.1604 8.1703 8.1703 9.7406 9.7406 9.7823 9.7823 12.8052 12.8052 12.8260 12.8260 14.2870 14.2870 k = 0.1550 0.3888 0.7303 ( 2476 PWs) bands (ev): -31.9605 -31.9605 -31.9605 -31.9605 -13.0342 -13.0342 -13.0292 -13.0292 -11.6759 -11.6759 -11.6216 -11.6216 -11.5934 -11.5934 -11.5450 -11.5450 1.7899 1.7899 1.7917 1.7917 7.4784 7.4784 7.5110 7.5110 8.1721 8.1721 8.1841 8.1841 9.7096 9.7096 9.7514 9.7514 12.8145 12.8145 12.8347 12.8347 14.3017 14.3017 k = 0.1482 0.3719 0.7303 ( 2492 PWs) bands (ev): -31.9606 -31.9606 -31.9606 -31.9606 -13.0335 -13.0335 -13.0285 -13.0285 -11.6728 -11.6728 -11.6219 -11.6219 -11.5919 -11.5919 -11.5469 -11.5469 1.7887 1.7887 1.7899 1.7899 7.4720 7.4720 7.5019 7.5019 8.1852 8.1852 8.1990 8.1990 9.6785 9.6785 9.7200 9.7200 12.8289 12.8289 12.8486 12.8486 14.3102 14.3102 k = 0.1415 0.3550 0.7303 ( 2496 PWs) bands (ev): -31.9608 -31.9608 -31.9607 -31.9607 -13.0327 -13.0327 -13.0278 -13.0278 -11.6697 -11.6697 -11.6222 -11.6222 -11.5903 -11.5903 -11.5487 -11.5487 1.7876 1.7876 1.7883 1.7883 7.4639 7.4639 7.4911 7.4911 8.1993 8.1993 8.2148 8.2148 9.6475 9.6475 9.6886 9.6886 12.8476 12.8476 12.8670 12.8670 14.3136 14.3136 k = 0.1347 0.3381 0.7303 ( 2500 PWs) bands (ev): -31.9609 -31.9609 -31.9609 -31.9609 -13.0319 -13.0319 -13.0271 -13.0271 -11.6666 -11.6666 -11.6225 -11.6225 -11.5887 -11.5887 -11.5504 -11.5504 1.7867 1.7867 1.7869 1.7869 7.4543 7.4543 7.4791 7.4791 8.2142 8.2142 8.2310 8.2310 9.6170 9.6170 9.6574 9.6574 12.8700 12.8700 12.8892 12.8892 14.3127 14.3127 k = 0.1280 0.3212 0.7303 ( 2504 PWs) bands (ev): -31.9610 -31.9610 -31.9610 -31.9610 -13.0311 -13.0311 -13.0264 -13.0264 -11.6636 -11.6636 -11.6228 -11.6228 -11.5870 -11.5870 -11.5521 -11.5521 1.7858 1.7858 1.7860 1.7860 7.4437 7.4437 7.4661 7.4661 8.2294 8.2294 8.2473 8.2473 9.5873 9.5873 9.6268 9.6268 12.8952 12.8952 12.9143 12.9143 14.3084 14.3084 k = 0.1213 0.3043 0.7303 ( 2504 PWs) bands (ev): -31.9611 -31.9611 -31.9611 -31.9611 -13.0303 -13.0303 -13.0257 -13.0257 -11.6605 -11.6605 -11.6231 -11.6231 -11.5854 -11.5854 -11.5537 -11.5537 1.7848 1.7848 1.7854 1.7854 7.4323 7.4323 7.4524 7.4524 8.2448 8.2448 8.2635 8.2635 9.5586 9.5586 9.5971 9.5971 12.9226 12.9226 12.9415 12.9415 14.3014 14.3014 k = 0.1145 0.2874 0.7303 ( 2500 PWs) bands (ev): -31.9612 -31.9612 -31.9612 -31.9612 -13.0295 -13.0295 -13.0250 -13.0250 -11.6576 -11.6576 -11.6234 -11.6234 -11.5837 -11.5837 -11.5552 -11.5552 1.7840 1.7840 1.7849 1.7849 7.4204 7.4204 7.4385 7.4385 8.2602 8.2602 8.2794 8.2794 9.5312 9.5312 9.5684 9.5684 12.9512 12.9512 12.9700 12.9700 14.2925 14.2925 k = 0.1078 0.2705 0.7303 ( 2504 PWs) bands (ev): -31.9614 -31.9614 -31.9614 -31.9614 -13.0288 -13.0288 -13.0244 -13.0244 -11.6547 -11.6547 -11.6237 -11.6237 -11.5821 -11.5821 -11.5566 -11.5566 1.7833 1.7833 1.7845 1.7845 7.4081 7.4081 7.4243 7.4243 8.2753 8.2753 8.2947 8.2947 9.5053 9.5053 9.5411 9.5411 12.9804 12.9804 12.9991 12.9991 14.2821 14.2821 k = 0.1011 0.2536 0.7303 ( 2504 PWs) bands (ev): -31.9615 -31.9615 -31.9615 -31.9615 -13.0280 -13.0280 -13.0238 -13.0238 -11.6519 -11.6519 -11.6240 -11.6240 -11.5806 -11.5806 -11.5580 -11.5580 1.7827 1.7827 1.7842 1.7842 7.3959 7.3959 7.4102 7.4102 8.2900 8.2900 8.3094 8.3094 9.4811 9.4811 9.5152 9.5152 13.0095 13.0095 13.0280 13.0280 14.2708 14.2708 k = 0.0943 0.2367 0.7303 ( 2500 PWs) bands (ev): -31.9616 -31.9616 -31.9616 -31.9616 -13.0272 -13.0272 -13.0232 -13.0232 -11.6492 -11.6492 -11.6242 -11.6242 -11.5791 -11.5791 -11.5592 -11.5592 1.7822 1.7822 1.7839 1.7839 7.3837 7.3837 7.3964 7.3964 8.3042 8.3042 8.3233 8.3233 9.4585 9.4585 9.4909 9.4909 13.0377 13.0377 13.0559 13.0559 14.2590 14.2590 k = 0.0876 0.2198 0.7303 ( 2496 PWs) bands (ev): -31.9617 -31.9617 -31.9617 -31.9617 -13.0265 -13.0265 -13.0227 -13.0227 -11.6467 -11.6467 -11.6244 -11.6244 -11.5777 -11.5777 -11.5604 -11.5604 1.7818 1.7818 1.7837 1.7837 7.3717 7.3717 7.3830 7.3830 8.3177 8.3177 8.3364 8.3364 9.4378 9.4378 9.4683 9.4683 13.0646 13.0646 13.0824 13.0824 14.2470 14.2470 k = 0.0808 0.2029 0.7303 ( 2490 PWs) bands (ev): -31.9617 -31.9617 -31.9617 -31.9617 -13.0258 -13.0258 -13.0222 -13.0222 -11.6442 -11.6442 -11.6246 -11.6246 -11.5764 -11.5764 -11.5614 -11.5614 1.7816 1.7816 1.7835 1.7835 7.3602 7.3602 7.3701 7.3701 8.3305 8.3305 8.3485 8.3485 9.4189 9.4189 9.4474 9.4474 13.0896 13.0896 13.1068 13.1068 14.2351 14.2351 k = 0.0741 0.1860 0.7303 ( 2492 PWs) bands (ev): -31.9618 -31.9618 -31.9618 -31.9618 -13.0251 -13.0251 -13.0218 -13.0218 -11.6420 -11.6420 -11.6248 -11.6248 -11.5752 -11.5752 -11.5624 -11.5624 1.7813 1.7813 1.7833 1.7833 7.3492 7.3492 7.3578 7.3578 8.3425 8.3425 8.3596 8.3596 9.4019 9.4019 9.4283 9.4283 13.1124 13.1124 13.1289 13.1289 14.2237 14.2237 k = 0.0674 0.1691 0.7303 ( 2496 PWs) bands (ev): -31.9620 -31.9620 -31.9619 -31.9619 -13.0245 -13.0245 -13.0214 -13.0214 -11.6398 -11.6398 -11.6250 -11.6250 -11.5740 -11.5740 -11.5632 -11.5632 1.7812 1.7812 1.7831 1.7831 7.3388 7.3388 7.3463 7.3463 8.3537 8.3537 8.3698 8.3698 9.3868 9.3868 9.4109 9.4109 13.1327 13.1327 13.1483 13.1483 14.2128 14.2128 k = 0.0606 0.1521 0.7303 ( 2500 PWs) bands (ev): -31.9620 -31.9620 -31.9620 -31.9620 -13.0238 -13.0238 -13.0210 -13.0210 -11.6379 -11.6379 -11.6252 -11.6252 -11.5730 -11.5730 -11.5639 -11.5639 1.7810 1.7810 1.7829 1.7829 7.3292 7.3292 7.3356 7.3356 8.3640 8.3640 8.3789 8.3789 9.3735 9.3735 9.3954 9.3954 13.1504 13.1504 13.1649 13.1649 14.2027 14.2027 k = 0.0539 0.1352 0.7303 ( 2496 PWs) bands (ev): -31.9621 -31.9621 -31.9621 -31.9621 -13.0233 -13.0233 -13.0207 -13.0207 -11.6361 -11.6361 -11.6253 -11.6253 -11.5720 -11.5720 -11.5646 -11.5646 1.7810 1.7810 1.7828 1.7828 7.3204 7.3204 7.3258 7.3258 8.3733 8.3733 8.3869 8.3869 9.3620 9.3620 9.3815 9.3815 13.1655 13.1655 13.1788 13.1788 14.1935 14.1935 k = 0.0472 0.1183 0.7303 ( 2496 PWs) bands (ev): -31.9622 -31.9622 -31.9622 -31.9622 -13.0227 -13.0227 -13.0205 -13.0205 -11.6345 -11.6345 -11.6255 -11.6255 -11.5712 -11.5712 -11.5651 -11.5651 1.7809 1.7809 1.7826 1.7826 7.3124 7.3124 7.3170 7.3170 8.3818 8.3818 8.3939 8.3939 9.3521 9.3521 9.3693 9.3693 13.1781 13.1781 13.1900 13.1900 14.1853 14.1853 k = 0.0404 0.1014 0.7303 ( 2496 PWs) bands (ev): -31.9622 -31.9622 -31.9622 -31.9622 -13.0222 -13.0222 -13.0203 -13.0203 -11.6331 -11.6331 -11.6257 -11.6257 -11.5704 -11.5704 -11.5656 -11.5656 1.7809 1.7809 1.7824 1.7824 7.3055 7.3055 7.3092 7.3092 8.3892 8.3892 8.3998 8.3998 9.3439 9.3439 9.3587 9.3587 13.1884 13.1884 13.1989 13.1989 14.1782 14.1782 k = 0.0337 0.0845 0.7303 ( 2504 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0218 -13.0218 -13.0201 -13.0201 -11.6318 -11.6318 -11.6259 -11.6259 -11.5698 -11.5698 -11.5660 -11.5660 1.7810 1.7810 1.7823 1.7823 7.2995 7.2995 7.3025 7.3025 8.3957 8.3957 8.4046 8.4046 9.3374 9.3374 9.3497 9.3497 13.1967 13.1967 13.2055 13.2055 14.1723 14.1723 k = 0.0269 0.0676 0.7303 ( 2504 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0214 -13.0214 -13.0201 -13.0201 -11.6307 -11.6307 -11.6261 -11.6261 -11.5692 -11.5692 -11.5664 -11.5664 1.7810 1.7810 1.7821 1.7821 7.2946 7.2946 7.2969 7.2969 8.4012 8.4012 8.4084 8.4084 9.3323 9.3323 9.3422 9.3422 13.2031 13.2031 13.2103 13.2103 14.1676 14.1676 k = 0.0202 0.0507 0.7303 ( 2500 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0210 -13.0210 -13.0200 -13.0200 -11.6297 -11.6297 -11.6264 -11.6264 -11.5687 -11.5687 -11.5667 -11.5667 1.7811 1.7811 1.7819 1.7819 7.2908 7.2908 7.2925 7.2925 8.4057 8.4057 8.4111 8.4111 9.3287 9.3287 9.3361 9.3361 13.2080 13.2080 13.2134 13.2134 14.1642 14.1642 k = 0.0135 0.0338 0.7303 ( 2496 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0207 -13.0207 -13.0201 -13.0201 -11.6289 -11.6289 -11.6267 -11.6267 -11.5683 -11.5683 -11.5670 -11.5670 1.7812 1.7812 1.7818 1.7818 7.2881 7.2881 7.2892 7.2892 8.4091 8.4091 8.4128 8.4128 9.3265 9.3265 9.3314 9.3314 13.2116 13.2116 13.2152 13.2152 14.1621 14.1621 k = 0.0067 0.0169 0.7303 ( 2496 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0205 -13.0205 -13.0201 -13.0201 -11.6282 -11.6282 -11.6271 -11.6271 -11.5679 -11.5679 -11.5673 -11.5673 1.7813 1.7813 1.7816 1.7816 7.2866 7.2866 7.2872 7.2872 8.4116 8.4116 8.4134 8.4134 9.3257 9.3257 9.3282 9.3282 13.2140 13.2140 13.2158 13.2158 14.1614 14.1621 k = 0.0000 0.0000 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0203 -13.0203 -13.0203 -13.0203 -11.6276 -11.6276 -11.6276 -11.6276 -11.5676 -11.5676 -11.5676 -11.5676 1.7815 1.7815 1.7815 1.7815 7.2863 7.2863 7.2863 7.2863 8.4130 8.4130 8.4130 8.4130 9.3262 9.3262 9.3262 9.3262 13.2154 13.2154 13.2154 13.2154 14.1619 14.1619 k = 0.0000 0.0000 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0203 -13.0203 -13.0203 -13.0203 -11.6276 -11.6276 -11.6276 -11.6276 -11.5676 -11.5676 -11.5676 -11.5676 1.7815 1.7815 1.7815 1.7815 7.2863 7.2863 7.2863 7.2863 8.4130 8.4130 8.4130 8.4130 9.3262 9.3262 9.3262 9.3262 13.2154 13.2154 13.2154 13.2154 14.1619 14.1619 k = 0.0000 0.0000 0.7120 ( 2494 PWs) bands (ev): -31.9634 -31.9634 -31.9614 -31.9614 -13.0236 -13.0236 -13.0169 -13.0169 -11.6320 -11.6320 -11.6231 -11.6231 -11.5707 -11.5707 -11.5643 -11.5643 1.6847 1.6847 1.8787 1.8787 7.2058 7.2058 7.3695 7.3695 8.3847 8.3847 8.4440 8.4440 9.2751 9.2751 9.3792 9.3792 13.1698 13.1698 13.2545 13.2545 14.1450 14.1450 k = 0.0000 0.0000 0.6938 ( 2494 PWs) bands (ev): -31.9645 -31.9645 -31.9604 -31.9604 -13.0268 -13.0268 -13.0133 -13.0133 -11.6363 -11.6363 -11.6184 -11.6184 -11.5736 -11.5736 -11.5610 -11.5610 1.5886 1.5886 1.9760 1.9760 7.1285 7.1285 7.4548 7.4548 8.3590 8.3590 8.4778 8.4778 9.2261 9.2261 9.4338 9.4338 13.1192 13.1192 13.2847 13.2847 14.1228 14.1228 k = 0.0000 0.0000 0.6755 ( 2488 PWs) bands (ev): -31.9655 -31.9655 -31.9595 -31.9595 -13.0299 -13.0299 -13.0097 -13.0097 -11.6404 -11.6404 -11.6138 -11.6138 -11.5764 -11.5764 -11.5575 -11.5575 1.4933 1.4933 2.0733 2.0733 7.0549 7.0549 7.5414 7.5414 8.3360 8.3360 8.5143 8.5143 9.1799 9.1799 9.4897 9.4897 13.0652 13.0652 13.3034 13.3034 14.0956 14.0956 k = 0.0000 0.0000 0.6572 ( 2488 PWs) bands (ev): -31.9666 -31.9666 -31.9585 -31.9585 -13.0329 -13.0329 -13.0060 -13.0060 -11.6444 -11.6444 -11.6091 -11.6091 -11.5788 -11.5788 -11.5540 -11.5540 1.3991 1.3991 2.1701 2.1701 6.9856 6.9856 7.6283 7.6283 8.3156 8.3156 8.5537 8.5537 9.1370 9.1370 9.5468 9.5468 13.0087 13.0087 13.3074 13.3074 14.0639 14.0639 k = 0.0000 0.0000 0.6390 ( 2484 PWs) bands (ev): -31.9676 -31.9676 -31.9576 -31.9576 -13.0358 -13.0358 -13.0022 -13.0022 -11.6483 -11.6483 -11.6047 -11.6047 -11.5808 -11.5808 -11.5503 -11.5503 1.3061 1.3061 2.2662 2.2662 6.9210 6.9210 7.7146 7.7146 8.2976 8.2976 8.5958 8.5958 9.0983 9.0983 9.6049 9.6049 12.9506 12.9506 13.2938 13.2938 14.0282 14.0282 k = 0.0000 0.0000 0.6207 ( 2476 PWs) bands (ev): -31.9687 -31.9687 -31.9567 -31.9567 -13.0386 -13.0386 -12.9984 -12.9984 -11.6521 -11.6521 -11.6008 -11.6008 -11.5819 -11.5819 -11.5466 -11.5466 1.2144 1.2144 2.3611 2.3611 6.8616 6.8616 7.7987 7.7987 8.2822 8.2822 8.6408 8.6408 9.0651 9.0651 9.6639 9.6639 12.8916 12.8916 13.2607 13.2607 13.9892 13.9892 k = 0.0000 0.0000 0.6025 ( 2482 PWs) bands (ev): -31.9699 -31.9699 -31.9559 -31.9559 -13.0412 -13.0412 -12.9945 -12.9945 -11.6557 -11.6557 -11.5980 -11.5980 -11.5817 -11.5817 -11.5429 -11.5429 1.1243 1.1243 2.4545 2.4545 6.8079 6.8079 7.8788 7.8788 8.2693 8.2693 8.6886 8.6886 9.0389 9.0389 9.7236 9.7236 12.8323 12.8323 13.2078 13.2078 13.9475 13.9475 k = 0.0000 0.0000 0.5842 ( 2485 PWs) bands (ev): -31.9710 -31.9710 -31.9551 -31.9551 -13.0438 -13.0438 -12.9905 -12.9905 -11.6592 -11.6592 -11.5969 -11.5969 -11.5795 -11.5795 -11.5390 -11.5390 1.0358 1.0358 2.5458 2.5458 6.7604 6.7604 7.9524 7.9524 8.2587 8.2587 8.7393 8.7393 9.0219 9.0219 9.7840 9.7840 12.7731 12.7731 13.1370 13.1370 13.9037 13.9037 k = 0.0000 0.0000 0.5660 ( 2481 PWs) bands (ev): -31.9721 -31.9721 -31.9543 -31.9543 -13.0462 -13.0462 -12.9865 -12.9865 -11.6626 -11.6626 -11.5971 -11.5971 -11.5758 -11.5758 -11.5350 -11.5350 0.9490 0.9490 2.6348 2.6348 6.7196 6.7196 8.0168 8.0168 8.2506 8.2506 8.7929 8.7929 9.0167 9.0167 9.8448 9.8448 12.7147 12.7147 13.0515 13.0515 13.8583 13.8583 k = 0.0000 0.0000 0.5477 ( 2485 PWs) bands (ev): -31.9733 -31.9733 -31.9535 -31.9535 -13.0485 -13.0485 -12.9825 -12.9825 -11.6659 -11.6659 -11.5980 -11.5980 -11.5713 -11.5713 -11.5310 -11.5310 0.8641 0.8641 2.7207 2.7207 6.6860 6.6860 8.0691 8.0691 8.2448 8.2448 8.8493 8.8493 9.0259 9.0259 9.9060 9.9060 12.6572 12.6572 12.9548 12.9548 13.8119 13.8119 k = 0.0000 0.0000 0.5294 ( 2495 PWs) bands (ev): -31.9744 -31.9744 -31.9529 -31.9529 -13.0507 -13.0507 -12.9784 -12.9784 -11.6691 -11.6691 -11.5990 -11.5990 -11.5664 -11.5664 -11.5268 -11.5268 0.7812 0.7812 2.8033 2.8033 6.6602 6.6602 8.1071 8.1071 8.2411 8.2411 8.9085 8.9085 9.0516 9.0516 9.9674 9.9674 12.6014 12.6014 12.8504 12.8504 13.7648 13.7648 k = 0.0000 0.0000 0.5112 ( 2491 PWs) bands (ev): -31.9755 -31.9755 -31.9521 -31.9521 -13.0528 -13.0528 -12.9744 -12.9744 -11.6723 -11.6723 -11.6000 -11.6000 -11.5614 -11.5614 -11.5224 -11.5224 0.7003 0.7003 2.8818 2.8818 6.6427 6.6427 8.1302 8.1302 8.2389 8.2389 8.9705 8.9705 9.0947 9.0947 10.0286 10.0286 12.5474 12.5474 12.7412 12.7412 13.7176 13.7176 k = 0.0000 0.0000 0.4929 ( 2491 PWs) bands (ev): -31.9767 -31.9767 -31.9515 -31.9515 -13.0547 -13.0547 -12.9703 -12.9703 -11.6754 -11.6754 -11.6009 -11.6009 -11.5564 -11.5564 -11.5179 -11.5179 0.6215 0.6215 2.9559 2.9559 6.6339 6.6339 8.1399 8.1399 8.2375 8.2375 9.0351 9.0351 9.1543 9.1543 10.0896 10.0896 12.4958 12.4958 12.6295 12.6295 13.6704 13.6704 k = 0.0000 0.0000 0.4747 ( 2487 PWs) bands (ev): -31.9778 -31.9778 -31.9508 -31.9508 -13.0566 -13.0566 -12.9663 -12.9663 -11.6784 -11.6784 -11.6016 -11.6016 -11.5515 -11.5515 -11.5132 -11.5132 0.5450 0.5450 3.0252 3.0252 6.6344 6.6344 8.1381 8.1381 8.2368 8.2368 9.1023 9.1023 9.2280 9.2280 10.1499 10.1499 12.4469 12.4469 12.5171 12.5171 13.6237 13.6237 k = 0.0000 0.0000 0.4564 ( 2485 PWs) bands (ev): -31.9789 -31.9789 -31.9502 -31.9502 -13.0584 -13.0584 -12.9623 -12.9623 -11.6814 -11.6814 -11.6022 -11.6022 -11.5468 -11.5468 -11.5083 -11.5083 0.4708 0.4708 3.0891 3.0891 6.6445 6.6445 8.1268 8.1268 8.2372 8.2372 9.1720 9.1720 9.3129 9.3129 10.2092 10.2092 12.3994 12.3994 12.4075 12.4075 13.5777 13.5777 k = 0.0000 0.0000 0.4382 ( 2479 PWs) bands (ev): -31.9799 -31.9799 -31.9497 -31.9497 -13.0601 -13.0601 -12.9583 -12.9583 -11.6843 -11.6843 -11.6025 -11.6025 -11.5423 -11.5423 -11.5032 -11.5032 0.3989 0.3989 3.1473 3.1473 6.6644 6.6644 8.1080 8.1080 8.2393 8.2393 9.2443 9.2443 9.4060 9.4060 10.2670 10.2670 12.2956 12.2956 12.3601 12.3601 13.5326 13.5326 k = 0.0000 0.0000 0.4199 ( 2479 PWs) bands (ev): -31.9810 -31.9810 -31.9491 -31.9491 -13.0616 -13.0616 -12.9544 -12.9544 -11.6872 -11.6872 -11.6027 -11.6027 -11.5381 -11.5381 -11.4979 -11.4979 0.3295 0.3295 3.1998 3.1998 6.6945 6.6945 8.0834 8.0834 8.2430 8.2430 9.3192 9.3192 9.5048 9.5048 10.3226 10.3226 12.1895 12.1895 12.3226 12.3226 13.4887 13.4887 k = 0.0000 0.0000 0.4016 ( 2477 PWs) bands (ev): -31.9820 -31.9820 -31.9486 -31.9486 -13.0631 -13.0631 -12.9506 -12.9506 -11.6900 -11.6900 -11.6026 -11.6026 -11.5341 -11.5341 -11.4924 -11.4924 0.2625 0.2625 3.2462 3.2462 6.7347 6.7347 8.0548 8.0548 8.2484 8.2484 9.3965 9.3965 9.6070 9.6070 10.3751 10.3751 12.0879 12.0879 12.2902 12.2902 13.4461 13.4461 k = 0.0000 0.0000 0.3834 ( 2475 PWs) bands (ev): -31.9830 -31.9830 -31.9481 -31.9481 -13.0645 -13.0645 -12.9468 -12.9468 -11.6927 -11.6927 -11.6023 -11.6023 -11.5304 -11.5304 -11.4868 -11.4868 0.1981 0.1981 3.2868 3.2868 6.7849 6.7849 8.0236 8.0236 8.2550 8.2550 9.4762 9.4762 9.7109 9.7109 10.4236 10.4236 11.9920 11.9920 12.2636 12.2636 13.4050 13.4050 k = 0.0000 0.0000 0.3651 ( 2481 PWs) bands (ev): -31.9841 -31.9841 -31.9477 -31.9477 -13.0659 -13.0659 -12.9431 -12.9431 -11.6954 -11.6954 -11.6019 -11.6019 -11.5269 -11.5269 -11.4811 -11.4811 0.1363 0.1363 3.3215 3.3215 6.8450 6.8450 7.9908 7.9908 8.2628 8.2628 9.5581 9.5581 9.8147 9.8147 10.4667 10.4667 11.9032 11.9032 12.2434 12.2434 13.3655 13.3655 k = 0.0000 0.0000 0.3469 ( 2489 PWs) bands (ev): -31.9851 -31.9851 -31.9473 -31.9473 -13.0671 -13.0671 -12.9396 -12.9396 -11.6980 -11.6980 -11.6013 -11.6013 -11.5237 -11.5237 -11.4753 -11.4753 0.0772 0.0772 3.3506 3.3506 6.9146 6.9146 7.9570 7.9570 8.2714 8.2714 9.6421 9.6421 9.9170 9.9170 10.5026 10.5026 11.8231 11.8231 12.2306 12.2306 13.3277 13.3277 k = 0.0000 0.0000 0.3286 ( 2489 PWs) bands (ev): -31.9860 -31.9860 -31.9469 -31.9469 -13.0683 -13.0683 -12.9361 -12.9361 -11.7006 -11.7006 -11.6006 -11.6006 -11.5208 -11.5208 -11.4696 -11.4696 0.0208 0.0208 3.3745 3.3745 6.9933 6.9933 7.9230 7.9230 8.2809 8.2809 9.7280 9.7280 10.0163 10.0163 10.5296 10.5296 11.7535 11.7535 12.2260 12.2260 13.2916 13.2916 k = 0.0000 0.0000 0.3104 ( 2493 PWs) bands (ev): -31.9870 -31.9870 -31.9465 -31.9465 -13.0694 -13.0694 -12.9328 -12.9328 -11.7030 -11.7030 -11.5997 -11.5997 -11.5180 -11.5180 -11.4638 -11.4638 -0.0329 -0.0329 3.3937 3.3937 7.0804 7.0804 7.8892 7.8892 8.2908 8.2908 9.8156 9.8156 10.1112 10.1112 10.5454 10.5454 11.6963 11.6963 12.2306 12.2306 13.2575 13.2575 k = 0.0000 0.0000 0.2921 ( 2491 PWs) bands (ev): -31.9878 -31.9878 -31.9462 -31.9462 -13.0704 -13.0704 -12.9296 -12.9296 -11.7054 -11.7054 -11.5987 -11.5987 -11.5155 -11.5155 -11.4581 -11.4581 -0.0837 -0.0837 3.4085 3.4085 7.1755 7.1755 7.8560 7.8560 8.3013 8.3013 9.9047 9.9047 10.2003 10.2003 10.5481 10.5481 11.6531 11.6531 12.2452 12.2452 13.2252 13.2252 k = 0.0000 0.0000 0.2739 ( 2483 PWs) bands (ev): -31.9886 -31.9886 -31.9458 -31.9458 -13.0713 -13.0713 -12.9265 -12.9265 -11.7077 -11.7077 -11.5977 -11.5977 -11.5131 -11.5131 -11.4526 -11.4526 -0.1317 -0.1317 3.4194 3.4194 7.2778 7.2778 7.8238 7.8238 8.3120 8.3120 9.9948 9.9948 10.2826 10.2826 10.5365 10.5365 11.6247 11.6247 12.2707 12.2707 13.1949 13.1949 k = 0.0000 0.0000 0.2556 ( 2479 PWs) bands (ev): -31.9894 -31.9894 -31.9455 -31.9455 -13.0722 -13.0722 -12.9236 -12.9236 -11.7098 -11.7098 -11.5966 -11.5966 -11.5109 -11.5109 -11.4472 -11.4472 -0.1768 -0.1768 3.4271 3.4271 7.3865 7.3865 7.7927 7.7927 8.3228 8.3228 10.0857 10.0857 10.3570 10.3570 10.5103 10.5103 11.6110 11.6110 12.3074 12.3074 13.1665 13.1665 k = 0.0000 0.0000 0.2373 ( 2477 PWs) bands (ev): -31.9901 -31.9901 -31.9453 -31.9453 -13.0730 -13.0730 -12.9209 -12.9209 -11.7119 -11.7119 -11.5954 -11.5954 -11.5089 -11.5089 -11.4420 -11.4420 -0.2190 -0.2190 3.4320 3.4320 7.5008 7.5008 7.7632 7.7632 8.3336 8.3336 10.1766 10.1766 10.4229 10.4229 10.4706 10.4706 11.6104 11.6104 12.3557 12.3557 13.1402 13.1402 k = 0.0000 0.0000 0.2191 ( 2473 PWs) bands (ev): -31.9908 -31.9908 -31.9450 -31.9450 -13.0737 -13.0737 -12.9183 -12.9183 -11.7138 -11.7138 -11.5943 -11.5943 -11.5071 -11.5071 -11.4371 -11.4371 -0.2582 -0.2582 3.4345 3.4345 7.6192 7.6192 7.7361 7.7361 8.3443 8.3443 10.2656 10.2656 10.4202 10.4202 10.4802 10.4802 11.6208 11.6208 12.4153 12.4153 13.1158 13.1158 k = 0.0000 0.0000 0.2008 ( 2473 PWs) bands (ev): -31.9915 -31.9915 -31.9448 -31.9448 -13.0744 -13.0744 -12.9159 -12.9159 -11.7156 -11.7156 -11.5931 -11.5931 -11.5054 -11.5054 -11.4324 -11.4324 -0.2944 -0.2944 3.4353 3.4353 7.7012 7.7012 7.7515 7.7515 8.3547 8.3547 10.3267 10.3267 10.3870 10.3870 10.5287 10.5287 11.6395 11.6395 12.4853 12.4853 13.0935 13.0935 k = 0.0000 0.0000 0.1826 ( 2477 PWs) bands (ev): -31.9921 -31.9921 -31.9446 -31.9446 -13.0750 -13.0750 -12.9137 -12.9137 -11.7173 -11.7173 -11.5920 -11.5920 -11.5039 -11.5039 -11.4280 -11.4280 -0.3276 -0.3276 3.4345 3.4345 7.6811 7.6811 7.8745 7.8745 8.3648 8.3648 10.2736 10.2736 10.4578 10.4578 10.5691 10.5691 11.6639 11.6639 12.5646 12.5646 13.0732 13.0732 k = 0.0000 0.0000 0.1643 ( 2481 PWs) bands (ev): -31.9927 -31.9927 -31.9444 -31.9444 -13.0756 -13.0756 -12.9117 -12.9117 -11.7188 -11.7188 -11.5909 -11.5909 -11.5026 -11.5026 -11.4240 -11.4240 -0.3577 -0.3577 3.4328 3.4328 7.6589 7.6589 8.0041 8.0041 8.3745 8.3745 10.1963 10.1963 10.5433 10.5433 10.6024 10.6024 11.6918 11.6918 12.6515 12.6515 13.0549 13.0549 k = 0.0000 0.0000 0.1461 ( 2489 PWs) bands (ev): -31.9932 -31.9932 -31.9442 -31.9442 -13.0761 -13.0761 -12.9098 -12.9098 -11.7202 -11.7202 -11.5898 -11.5898 -11.5014 -11.5014 -11.4203 -11.4203 -0.3847 -0.3847 3.4303 3.4303 7.6385 7.6385 8.1358 8.1358 8.3838 8.3838 10.1112 10.1112 10.6207 10.6207 10.6358 10.6358 11.7212 11.7212 12.7440 12.7440 13.0386 13.0386 k = 0.0000 0.0000 0.1278 ( 2487 PWs) bands (ev): -31.9937 -31.9937 -31.9441 -31.9441 -13.0765 -13.0765 -12.9082 -12.9082 -11.7214 -11.7214 -11.5889 -11.5889 -11.5003 -11.5003 -11.4170 -11.4170 -0.4086 -0.4086 3.4275 3.4275 7.6201 7.6201 8.2676 8.2676 8.3937 8.3937 10.0203 10.0203 10.6475 10.6475 10.7105 10.7105 11.7505 11.7505 12.8395 12.8395 13.0243 13.0243 k = 0.0000 0.0000 0.1095 ( 2483 PWs) bands (ev): -31.9941 -31.9941 -31.9440 -31.9440 -13.0769 -13.0769 -12.9068 -12.9068 -11.7225 -11.7225 -11.5880 -11.5880 -11.4994 -11.4994 -11.4140 -11.4140 -0.4293 -0.4293 3.4245 3.4245 7.6040 7.6040 8.3789 8.3789 8.4237 8.4237 9.9244 9.9244 10.6639 10.6639 10.7856 10.7856 11.7784 11.7784 12.9355 12.9355 13.0119 13.0119 k = 0.0000 0.0000 0.0913 ( 2491 PWs) bands (ev): -31.9944 -31.9944 -31.9439 -31.9439 -13.0772 -13.0772 -12.9056 -12.9056 -11.7234 -11.7234 -11.5873 -11.5873 -11.4986 -11.4986 -11.4115 -11.4115 -0.4469 -0.4469 3.4216 3.4216 7.5903 7.5903 8.3996 8.3996 8.5428 8.5428 9.8242 9.8242 10.6762 10.6762 10.8540 10.8540 11.8038 11.8038 13.0014 13.0014 13.0285 13.0285 k = 0.0000 0.0000 0.0730 ( 2491 PWs) bands (ev): -31.9947 -31.9947 -31.9438 -31.9438 -13.0774 -13.0774 -12.9046 -12.9046 -11.7242 -11.7242 -11.5866 -11.5866 -11.4980 -11.4980 -11.4095 -11.4095 -0.4613 -0.4613 3.4190 3.4190 7.5789 7.5789 8.4063 8.4063 8.6730 8.6730 9.7205 9.7205 10.6853 10.6853 10.9137 10.9137 11.8258 11.8258 12.9930 12.9930 13.1145 13.1145 k = 0.0000 0.0000 0.0548 ( 2491 PWs) bands (ev): -31.9949 -31.9949 -31.9437 -31.9437 -13.0776 -13.0776 -12.9039 -12.9039 -11.7248 -11.7248 -11.5861 -11.5861 -11.4975 -11.4975 -11.4079 -11.4079 -0.4726 -0.4726 3.4169 3.4169 7.5700 7.5700 8.4109 8.4109 8.8004 8.8004 9.6150 9.6150 10.6917 10.6917 10.9629 10.9629 11.8437 11.8437 12.9864 12.9864 13.1835 13.1835 k = 0.0000 0.0000 0.0365 ( 2491 PWs) bands (ev): -31.9951 -31.9951 -31.9437 -31.9437 -13.0778 -13.0778 -12.9033 -12.9033 -11.7252 -11.7252 -11.5858 -11.5858 -11.4971 -11.4971 -11.4067 -11.4067 -0.4806 -0.4806 3.4152 3.4152 7.5637 7.5637 8.4141 8.4141 8.9206 8.9206 9.5109 9.5109 10.6960 10.6960 10.9996 10.9996 11.8569 11.8569 12.9817 12.9817 13.1743 13.1743 k = 0.0000 0.0000 0.0183 ( 2495 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0779 -13.0779 -12.9030 -12.9030 -11.7255 -11.7255 -11.5856 -11.5856 -11.4969 -11.4969 -11.4060 -11.4060 -0.4854 -0.4854 3.4142 3.4142 7.5598 7.5598 8.4160 8.4160 9.0222 9.0222 9.4191 9.4191 10.6984 10.6984 11.0224 11.0224 11.8650 11.8650 12.9790 12.9790 13.1609 13.1609 k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0779 -13.0779 -12.9029 -12.9029 -11.7256 -11.7256 -11.5855 -11.5855 -11.4969 -11.4969 -11.4058 -11.4058 -0.4870 -0.4870 3.4139 3.4139 7.5586 7.5586 8.4166 8.4166 9.0693 9.0693 9.3753 9.3753 10.6992 10.6992 11.0301 11.0301 11.8677 11.8677 12.9780 12.9780 13.1562 13.1562 k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0779 -13.0779 -12.9029 -12.9029 -11.7256 -11.7256 -11.5855 -11.5855 -11.4969 -11.4969 -11.4058 -11.4058 -0.4870 -0.4870 3.4139 3.4139 7.5586 7.5586 8.4166 8.4166 9.0693 9.0693 9.3753 9.3753 10.6992 10.6992 11.0301 11.0301 11.8677 11.8677 12.9780 12.9780 13.1562 13.1562 k =-0.0167 0.0066 0.0000 ( 2499 PWs) bands (ev): -31.9952 -31.9952 -31.9437 -31.9437 -13.0778 -13.0778 -12.9030 -12.9030 -11.7254 -11.7254 -11.5855 -11.5855 -11.4969 -11.4969 -11.4059 -11.4059 -0.4861 -0.4861 3.4124 3.4124 7.5602 7.5602 8.4173 8.4173 9.0686 9.0686 9.3762 9.3762 10.6967 10.6967 11.0313 11.0313 11.8684 11.8684 12.9685 12.9685 13.1661 13.1661 k =-0.0333 0.0133 0.0000 ( 2499 PWs) bands (ev): -31.9951 -31.9951 -31.9438 -31.9438 -13.0774 -13.0774 -12.9034 -12.9034 -11.7249 -11.7249 -11.5854 -11.5854 -11.4970 -11.4970 -11.4065 -11.4065 -0.4832 -0.4832 3.4082 3.4082 7.5652 7.5652 8.4194 8.4194 9.0663 9.0663 9.3790 9.3790 10.6894 10.6894 11.0349 11.0349 11.8705 11.8705 12.9447 12.9447 13.1897 13.1897 k =-0.0500 0.0199 0.0000 ( 2500 PWs) bands (ev): -31.9949 -31.9949 -31.9440 -31.9440 -13.0769 -13.0769 -12.9040 -12.9040 -11.7241 -11.7241 -11.5853 -11.5853 -11.4972 -11.4972 -11.4075 -11.4075 -0.4785 -0.4785 3.4011 3.4011 7.5734 7.5734 8.4228 8.4228 9.0626 9.0626 9.3833 9.3833 10.6775 10.6775 11.0409 11.0409 11.8740 11.8740 12.9136 12.9136 13.1584 13.1584 k =-0.0667 0.0266 0.0000 ( 2496 PWs) bands (ev): -31.9946 -31.9946 -31.9443 -31.9443 -13.0761 -13.0761 -12.9049 -12.9049 -11.7229 -11.7229 -11.5851 -11.5851 -11.4975 -11.4975 -11.4089 -11.4089 -0.4720 -0.4720 3.3913 3.3913 7.5849 7.5849 8.4276 8.4276 9.0575 9.0575 9.3889 9.3889 10.6618 10.6618 11.0493 11.0493 11.8791 11.8791 12.8794 12.8794 13.0809 13.0809 k =-0.0833 0.0332 0.0000 ( 2484 PWs) bands (ev): -31.9943 -31.9943 -31.9445 -31.9445 -13.0750 -13.0750 -12.9060 -12.9060 -11.7215 -11.7215 -11.5849 -11.5849 -11.4979 -11.4979 -11.4106 -11.4106 -0.4637 -0.4637 3.3790 3.3790 7.5996 7.5996 8.4336 8.4336 9.0510 9.0510 9.3951 9.3951 10.6432 10.6432 11.0601 11.0601 11.8858 11.8858 12.8441 12.8441 12.9926 12.9926 k =-0.1000 0.0399 0.0000 ( 2476 PWs) bands (ev): -31.9939 -31.9939 -31.9449 -31.9449 -13.0738 -13.0738 -12.9074 -12.9074 -11.7197 -11.7197 -11.5847 -11.5847 -11.4984 -11.4984 -11.4127 -11.4127 -0.4537 -0.4537 3.3641 3.3641 7.6174 7.6174 8.4409 8.4409 9.0433 9.0433 9.4016 9.4016 10.6224 10.6224 11.0733 11.0733 11.8942 11.8942 12.8085 12.8085 12.8971 12.8971 k =-0.1167 0.0465 0.0000 ( 2476 PWs) bands (ev): -31.9935 -31.9935 -31.9453 -31.9453 -13.0723 -13.0723 -12.9090 -12.9090 -11.7176 -11.7176 -11.5844 -11.5844 -11.4989 -11.4989 -11.4151 -11.4151 -0.4420 -0.4420 3.3470 3.3470 7.6381 7.6381 8.4495 8.4495 9.0345 9.0345 9.4074 9.4074 10.6006 10.6006 11.0888 11.0888 11.9045 11.9045 12.7733 12.7733 12.7970 12.7970 k =-0.1333 0.0531 0.0000 ( 2486 PWs) bands (ev): -31.9930 -31.9930 -31.9458 -31.9458 -13.0707 -13.0707 -12.9108 -12.9108 -11.7152 -11.7152 -11.5842 -11.5842 -11.4995 -11.4995 -11.4179 -11.4179 -0.4288 -0.4288 3.3277 3.3277 7.6617 7.6617 8.4591 8.4591 9.0246 9.0246 9.4119 9.4119 10.5788 10.5788 11.1065 11.1065 11.9168 11.9168 12.6945 12.6945 12.7389 12.7389 k =-0.1500 0.0598 0.0000 ( 2494 PWs) bands (ev): -31.9924 -31.9924 -31.9464 -31.9464 -13.0688 -13.0688 -12.9129 -12.9129 -11.7125 -11.7125 -11.5839 -11.5839 -11.5002 -11.5002 -11.4209 -11.4209 -0.4142 -0.4142 3.3065 3.3065 7.6881 7.6881 8.4698 8.4698 9.0138 9.0138 9.4142 9.4142 10.5578 10.5578 11.1266 11.1266 11.9312 11.9312 12.5917 12.5917 12.7053 12.7053 k =-0.1667 0.0664 0.0000 ( 2494 PWs) bands (ev): -31.9918 -31.9918 -31.9471 -31.9471 -13.0667 -13.0667 -12.9151 -12.9151 -11.7095 -11.7095 -11.5836 -11.5836 -11.5010 -11.5010 -11.4243 -11.4243 -0.3983 -0.3983 3.2836 3.2836 7.7170 7.7170 8.4814 8.4814 9.0023 9.0023 9.4138 9.4138 10.5382 10.5382 11.1488 11.1488 11.9477 11.9477 12.4907 12.4907 12.6727 12.6727 k =-0.1833 0.0731 0.0000 ( 2488 PWs) bands (ev): -31.9910 -31.9910 -31.9478 -31.9478 -13.0644 -13.0644 -12.9176 -12.9176 -11.7063 -11.7063 -11.5833 -11.5833 -11.5018 -11.5018 -11.4279 -11.4279 -0.3812 -0.3812 3.2593 3.2593 7.7483 7.7483 8.4939 8.4939 8.9901 8.9901 9.4101 9.4101 10.5202 10.5202 11.1732 11.1732 11.9663 11.9663 12.3935 12.3935 12.6413 12.6413 k =-0.2000 0.0797 0.0000 ( 2490 PWs) bands (ev): -31.9903 -31.9903 -31.9486 -31.9486 -13.0619 -13.0619 -12.9203 -12.9203 -11.7027 -11.7027 -11.5831 -11.5831 -11.5026 -11.5026 -11.4317 -11.4317 -0.3630 -0.3630 3.2338 3.2338 7.7819 7.7819 8.5071 8.5071 8.9774 8.9774 9.4029 9.4029 10.5034 10.5034 11.1997 11.1997 11.9872 11.9872 12.3021 12.3021 12.6111 12.6111 k =-0.2167 0.0864 0.0000 ( 2494 PWs) bands (ev): -31.9895 -31.9895 -31.9494 -31.9494 -13.0592 -13.0592 -12.9232 -12.9232 -11.6989 -11.6989 -11.5828 -11.5828 -11.5036 -11.5036 -11.4358 -11.4358 -0.3441 -0.3441 3.2073 3.2073 7.8174 7.8174 8.5210 8.5210 8.9645 8.9645 9.3923 9.3923 10.4870 10.4870 11.2282 11.2282 12.0100 12.0100 12.2189 12.2189 12.5823 12.5823 k =-0.2333 0.0930 0.0000 ( 2490 PWs) bands (ev): -31.9886 -31.9886 -31.9503 -31.9503 -13.0563 -13.0563 -12.9263 -12.9263 -11.6949 -11.6949 -11.5827 -11.5827 -11.5045 -11.5045 -11.4400 -11.4400 -0.3244 -0.3244 3.1801 3.1801 7.8545 7.8545 8.5353 8.5353 8.9513 8.9513 9.3787 9.3787 10.4694 10.4694 11.2587 11.2587 12.0348 12.0348 12.1460 12.1460 12.5549 12.5549 k =-0.2500 0.0996 0.0000 ( 2486 PWs) bands (ev): -31.9876 -31.9876 -31.9512 -31.9512 -13.0533 -13.0533 -12.9295 -12.9295 -11.6906 -11.6906 -11.5826 -11.5826 -11.5055 -11.5055 -11.4444 -11.4444 -0.3043 -0.3043 3.1526 3.1526 7.8931 7.8931 8.5500 8.5500 8.9382 8.9382 9.3629 9.3629 10.4490 10.4490 11.2910 11.2910 12.0591 12.0591 12.0877 12.0877 12.5289 12.5289 k =-0.2667 0.1063 0.0000 ( 2476 PWs) bands (ev): -31.9866 -31.9866 -31.9521 -31.9521 -13.0501 -13.0501 -12.9330 -12.9330 -11.6861 -11.6861 -11.5827 -11.5827 -11.5065 -11.5065 -11.4488 -11.4488 -0.2839 -0.2839 3.1250 3.1250 7.9327 7.9327 8.5649 8.5649 8.9252 8.9252 9.3456 9.3456 10.4237 10.4237 11.3251 11.3251 12.0358 12.0358 12.0929 12.0929 12.5044 12.5044 k =-0.2833 0.1129 0.0000 ( 2478 PWs) bands (ev): -31.9856 -31.9856 -31.9532 -31.9532 -13.0467 -13.0467 -12.9366 -12.9366 -11.6814 -11.6814 -11.5829 -11.5829 -11.5075 -11.5075 -11.4532 -11.4532 -0.2635 -0.2635 3.0975 3.0975 7.9729 7.9729 8.5798 8.5798 8.9124 8.9124 9.3281 9.3281 10.3919 10.3919 11.3608 11.3608 12.0052 12.0052 12.1223 12.1223 12.4815 12.4815 k =-0.3000 0.1196 0.0000 ( 2482 PWs) bands (ev): -31.9846 -31.9846 -31.9543 -31.9543 -13.0432 -13.0432 -12.9403 -12.9403 -11.6765 -11.6765 -11.5832 -11.5832 -11.5085 -11.5085 -11.4577 -11.4577 -0.2432 -0.2432 3.0706 3.0706 8.0132 8.0132 8.5946 8.5946 8.9001 8.9001 9.3116 9.3116 10.3524 10.3524 11.3980 11.3980 11.9898 11.9898 12.1536 12.1536 12.4602 12.4602 k =-0.3167 0.1262 0.0000 ( 2488 PWs) bands (ev): -31.9835 -31.9835 -31.9554 -31.9554 -13.0395 -13.0395 -12.9441 -12.9441 -11.6714 -11.6714 -11.5838 -11.5838 -11.5096 -11.5096 -11.4621 -11.4621 -0.2234 -0.2234 3.0444 3.0444 8.0530 8.0530 8.6091 8.6091 8.8883 8.8883 9.2972 9.2972 10.3049 10.3049 11.4365 11.4365 11.9900 11.9900 12.1860 12.1860 12.4406 12.4406 k =-0.3333 0.1328 0.0000 ( 2486 PWs) bands (ev): -31.9823 -31.9823 -31.9565 -31.9565 -13.0357 -13.0357 -12.9481 -12.9481 -11.6662 -11.6662 -11.5846 -11.5846 -11.5105 -11.5105 -11.4664 -11.4664 -0.2042 -0.2042 3.0192 3.0192 8.0918 8.0918 8.6231 8.6231 8.8772 8.8772 9.2863 9.2863 10.2496 10.2496 11.4761 11.4761 12.0043 12.0043 12.2187 12.2187 12.4226 12.4226 k =-0.3500 0.1395 0.0000 ( 2480 PWs) bands (ev): -31.9811 -31.9811 -31.9577 -31.9577 -13.0318 -13.0318 -12.9522 -12.9522 -11.6609 -11.6609 -11.5858 -11.5858 -11.5115 -11.5115 -11.4705 -11.4705 -0.1859 -0.1859 2.9954 2.9954 8.1288 8.1288 8.6364 8.6364 8.8669 8.8669 9.2799 9.2799 10.1875 10.1875 11.5166 11.5166 12.0310 12.0310 12.2515 12.2515 12.4065 12.4065 k =-0.3667 0.1461 0.0000 ( 2480 PWs) bands (ev): -31.9799 -31.9799 -31.9589 -31.9589 -13.0277 -13.0277 -12.9564 -12.9564 -11.6555 -11.6555 -11.5872 -11.5872 -11.5123 -11.5123 -11.4743 -11.4743 -0.1687 -0.1687 2.9733 2.9733 8.1635 8.1635 8.6489 8.6489 8.8574 8.8574 9.2793 9.2793 10.1201 10.1201 11.5575 11.5575 12.0674 12.0674 12.2835 12.2835 12.3923 12.3923 k =-0.3833 0.1528 0.0000 ( 2478 PWs) bands (ev): -31.9787 -31.9787 -31.9601 -31.9601 -13.0236 -13.0236 -12.9607 -12.9607 -11.6500 -11.6500 -11.5890 -11.5890 -11.5131 -11.5131 -11.4779 -11.4779 -0.1529 -0.1529 2.9530 2.9530 8.1951 8.1951 8.6605 8.6605 8.8488 8.8488 9.2854 9.2854 10.0486 10.0486 11.5985 11.5985 12.1106 12.1106 12.3137 12.3137 12.3805 12.3805 k =-0.4000 0.1594 0.0000 ( 2478 PWs) bands (ev): -31.9774 -31.9774 -31.9614 -31.9614 -13.0194 -13.0194 -12.9651 -12.9651 -11.6445 -11.6445 -11.5912 -11.5912 -11.5138 -11.5138 -11.4811 -11.4811 -0.1387 -0.1387 2.9348 2.9348 8.2230 8.2230 8.6708 8.6708 8.8413 8.8413 9.2988 9.2988 9.9746 9.9746 11.6390 11.6390 12.1576 12.1576 12.3397 12.3397 12.3730 12.3730 k =-0.4167 0.1661 0.0000 ( 2480 PWs) bands (ev): -31.9761 -31.9761 -31.9627 -31.9627 -13.0151 -13.0151 -12.9695 -12.9695 -11.6390 -11.6390 -11.5938 -11.5938 -11.5144 -11.5144 -11.4839 -11.4839 -0.1262 -0.1262 2.9190 2.9190 8.2469 8.2469 8.6798 8.6798 8.8348 8.8348 9.3202 9.3202 9.8996 9.8996 11.6779 11.6779 12.2049 12.2049 12.3505 12.3505 12.3801 12.3801 k =-0.4333 0.1727 0.0000 ( 2480 PWs) bands (ev): -31.9748 -31.9748 -31.9640 -31.9640 -13.0107 -13.0107 -12.9739 -12.9739 -11.6336 -11.6336 -11.5969 -11.5969 -11.5149 -11.5149 -11.4863 -11.4863 -0.1158 -0.1158 2.9058 2.9058 8.2664 8.2664 8.6874 8.6874 8.8294 8.8294 9.3495 9.3495 9.8248 9.8248 11.7142 11.7142 12.2489 12.2489 12.3482 12.3482 12.3994 12.3994 k =-0.4500 0.1793 0.0000 ( 2472 PWs) bands (ev): -31.9735 -31.9735 -31.9653 -31.9653 -13.0063 -13.0063 -12.9784 -12.9784 -11.6282 -11.6282 -11.6003 -11.6003 -11.5153 -11.5153 -11.4881 -11.4881 -0.1075 -0.1075 2.8954 2.8954 8.2815 8.2815 8.6934 8.6934 8.8251 8.8251 9.3866 9.3866 9.7516 9.7516 11.7461 11.7461 12.2854 12.2854 12.3465 12.3465 12.4175 12.4175 k =-0.4667 0.1860 0.0000 ( 2472 PWs) bands (ev): -31.9722 -31.9722 -31.9666 -31.9666 -13.0020 -13.0020 -12.9828 -12.9828 -11.6230 -11.6230 -11.6042 -11.6042 -11.5155 -11.5155 -11.4895 -11.4895 -0.1014 -0.1014 2.8878 2.8878 8.2922 8.2922 8.6978 8.6978 8.8221 8.8221 9.4306 9.4306 9.6813 9.6813 11.7715 11.7715 12.3087 12.3087 12.3504 12.3504 12.4310 12.4310 k =-0.4833 0.1926 0.0000 ( 2472 PWs) bands (ev): -31.9710 -31.9710 -31.9678 -31.9678 -12.9979 -12.9979 -12.9869 -12.9869 -11.6180 -11.6180 -11.6083 -11.6083 -11.5157 -11.5157 -11.4903 -11.4903 -0.0978 -0.0978 2.8832 2.8832 8.2985 8.2985 8.7004 8.7004 8.8202 8.8202 9.4793 9.4793 9.6168 9.6168 11.7881 11.7881 12.3174 12.3174 12.3592 12.3592 12.4234 12.4234 k =-0.5000 0.1993 0.0000 ( 2480 PWs) bands (ev): -31.9703 -31.9703 -31.9686 -31.9686 -12.9954 -12.9954 -12.9894 -12.9894 -11.6143 -11.6143 -11.6118 -11.6118 -11.5158 -11.5158 -11.4906 -11.4906 -0.0965 -0.0965 2.8817 2.8817 8.3006 8.3006 8.7013 8.7013 8.8196 8.8196 9.5139 9.5139 9.5769 9.5769 11.7939 11.7939 12.3191 12.3191 12.3636 12.3636 12.4156 12.4156 k =-0.5000 0.1993 0.0000 ( 2480 PWs) bands (ev): -31.9703 -31.9703 -31.9686 -31.9686 -12.9954 -12.9954 -12.9894 -12.9894 -11.6143 -11.6143 -11.6118 -11.6118 -11.5158 -11.5158 -11.4906 -11.4906 -0.0965 -0.0965 2.8817 2.8817 8.3006 8.3006 8.7013 8.7013 8.8196 8.8196 9.5139 9.5139 9.5769 9.5769 11.7939 11.7939 12.3191 12.3191 12.3636 12.3636 12.4156 12.4156 k =-0.4934 0.2158-0.0000 ( 2478 PWs) bands (ev): -31.9702 -31.9702 -31.9686 -31.9686 -12.9955 -12.9955 -12.9894 -12.9894 -11.6154 -11.6154 -11.6108 -11.6108 -11.5158 -11.5158 -11.4906 -11.4906 -0.0958 -0.0958 2.8831 2.8831 8.3003 8.3003 8.6896 8.6896 8.8181 8.8181 9.5232 9.5232 9.5784 9.5784 11.7949 11.7949 12.2605 12.2605 12.3374 12.3374 12.4336 12.4336 k =-0.4869 0.2322-0.0000 ( 2474 PWs) bands (ev): -31.9702 -31.9702 -31.9685 -31.9685 -12.9956 -12.9956 -12.9895 -12.9895 -11.6173 -11.6173 -11.6093 -11.6093 -11.5158 -11.5158 -11.4905 -11.4905 -0.0935 -0.0935 2.8873 2.8873 8.2992 8.2992 8.6563 8.6563 8.8133 8.8133 9.5492 9.5492 9.5832 9.5832 11.7978 11.7978 12.1342 12.1342 12.3409 12.3409 12.4162 12.4162 k =-0.4803 0.2487-0.0000 ( 2474 PWs) bands (ev): -31.9703 -31.9703 -31.9685 -31.9685 -12.9959 -12.9959 -12.9897 -12.9897 -11.6195 -11.6195 -11.6079 -11.6079 -11.5159 -11.5159 -11.4904 -11.4904 -0.0898 -0.0898 2.8942 2.8942 8.2970 8.2970 8.6054 8.6054 8.8053 8.8053 9.5825 9.5825 9.5972 9.5972 11.8025 11.8025 11.9931 11.9931 12.3491 12.3491 12.3884 12.3884 k =-0.4737 0.2652-0.0000 ( 2478 PWs) bands (ev): -31.9703 -31.9703 -31.9684 -31.9684 -12.9962 -12.9962 -12.9899 -12.9899 -11.6218 -11.6218 -11.6066 -11.6066 -11.5161 -11.5161 -11.4902 -11.4902 -0.0846 -0.0846 2.9040 2.9040 8.2930 8.2930 8.5422 8.5422 8.7941 8.7941 9.5967 9.5967 9.6424 9.6424 11.8062 11.8062 11.8479 11.8479 12.3402 12.3402 12.3717 12.3717 k =-0.4671 0.2817-0.0000 ( 2480 PWs) bands (ev): -31.9704 -31.9704 -31.9683 -31.9683 -12.9966 -12.9966 -12.9901 -12.9901 -11.6242 -11.6242 -11.6055 -11.6055 -11.5163 -11.5163 -11.4899 -11.4899 -0.0779 -0.0779 2.9165 2.9165 8.2851 8.2851 8.4722 8.4722 8.7799 8.7799 9.6091 9.6091 9.6980 9.6980 11.6903 11.6903 11.8206 11.8206 12.2952 12.2952 12.3863 12.3863 k =-0.4606 0.2982-0.0000 ( 2484 PWs) bands (ev): -31.9704 -31.9704 -31.9681 -31.9681 -12.9972 -12.9972 -12.9904 -12.9904 -11.6267 -11.6267 -11.6045 -11.6045 -11.5166 -11.5166 -11.4895 -11.4895 -0.0698 -0.0698 2.9317 2.9317 8.2667 8.2667 8.4049 8.4049 8.7629 8.7629 9.6233 9.6233 9.7577 9.7577 11.5375 11.5375 11.8310 11.8310 12.2405 12.2405 12.4068 12.4068 k =-0.4540 0.3147-0.0000 ( 2490 PWs) bands (ev): -31.9706 -31.9706 -31.9679 -31.9679 -12.9978 -12.9978 -12.9907 -12.9907 -11.6293 -11.6293 -11.6038 -11.6038 -11.5169 -11.5169 -11.4890 -11.4890 -0.0604 -0.0604 2.9495 2.9495 8.2226 8.2226 8.3573 8.3573 8.7435 8.7435 9.6393 9.6393 9.8196 9.8196 11.3847 11.3847 11.8437 11.8437 12.1803 12.1803 12.4306 12.4306 k =-0.4474 0.3312-0.0000 ( 2488 PWs) bands (ev): -31.9706 -31.9706 -31.9677 -31.9677 -12.9986 -12.9986 -12.9911 -12.9911 -11.6319 -11.6319 -11.6033 -11.6033 -11.5173 -11.5173 -11.4885 -11.4885 -0.0497 -0.0497 2.9700 2.9700 8.1485 8.1485 8.3353 8.3353 8.7218 8.7218 9.6566 9.6566 9.8825 9.8825 11.2336 11.2336 11.8579 11.8579 12.1165 12.1165 12.4568 12.4568 k =-0.4409 0.3477-0.0000 ( 2492 PWs) bands (ev): -31.9708 -31.9708 -31.9675 -31.9675 -12.9994 -12.9994 -12.9914 -12.9914 -11.6346 -11.6346 -11.6030 -11.6030 -11.5177 -11.5177 -11.4878 -11.4878 -0.0377 -0.0377 2.9931 2.9931 8.0586 8.0586 8.3257 8.3257 8.6982 8.6982 9.6744 9.6744 9.9457 9.9457 11.0858 11.0858 11.8722 11.8722 12.0520 12.0520 12.4849 12.4849 k =-0.4343 0.3642-0.0000 ( 2484 PWs) bands (ev): -31.9708 -31.9708 -31.9672 -31.9672 -13.0004 -13.0004 -12.9918 -12.9918 -11.6373 -11.6373 -11.6029 -11.6029 -11.5182 -11.5182 -11.4870 -11.4870 -0.0245 -0.0245 3.0186 3.0186 7.9618 7.9618 8.3206 8.3206 8.6730 8.6730 9.6917 9.6917 10.0089 10.0089 10.9427 10.9427 11.8809 11.8809 11.9935 11.9935 12.5141 12.5141 k =-0.4277 0.3807-0.0000 ( 2488 PWs) bands (ev): -31.9710 -31.9710 -31.9669 -31.9669 -13.0014 -13.0014 -12.9922 -12.9922 -11.6400 -11.6400 -11.6030 -11.6030 -11.5188 -11.5188 -11.4861 -11.4861 -0.0102 -0.0102 3.0466 3.0466 7.8613 7.8613 8.3173 8.3173 8.6464 8.6464 9.7067 9.7067 10.0716 10.0716 10.8066 10.8066 11.8619 11.8619 11.9642 11.9642 12.5436 12.5436 k =-0.4211 0.3971-0.0000 ( 2488 PWs) bands (ev): -31.9711 -31.9711 -31.9666 -31.9666 -13.0026 -13.0026 -12.9926 -12.9926 -11.6427 -11.6427 -11.6034 -11.6034 -11.5194 -11.5194 -11.4851 -11.4851 0.0051 0.0051 3.0769 3.0769 7.7586 7.7586 8.3150 8.3150 8.6189 8.6189 9.7168 9.7168 10.1338 10.1338 10.6804 10.6804 11.8068 11.8068 11.9731 11.9731 12.5723 12.5723 k =-0.4146 0.4136-0.0000 ( 2494 PWs) bands (ev): -31.9713 -31.9713 -31.9662 -31.9662 -13.0038 -13.0038 -12.9930 -12.9930 -11.6454 -11.6454 -11.6039 -11.6039 -11.5200 -11.5200 -11.4840 -11.4840 0.0213 0.0213 3.1095 3.1095 7.6548 7.6548 8.3131 8.3131 8.5907 8.5907 9.7179 9.7179 10.1955 10.1955 10.5682 10.5682 11.7399 11.7399 11.9966 11.9966 12.5971 12.5971 k =-0.4080 0.4301-0.0000 ( 2498 PWs) bands (ev): -31.9714 -31.9714 -31.9659 -31.9659 -13.0052 -13.0052 -12.9934 -12.9934 -11.6481 -11.6481 -11.6047 -11.6047 -11.5207 -11.5207 -11.4828 -11.4828 0.0384 0.0384 3.1442 3.1442 7.5504 7.5504 8.3115 8.3115 8.5621 8.5621 9.7046 9.7046 10.2566 10.2566 10.4758 10.4758 11.6706 11.6706 12.0259 12.0259 12.6085 12.6085 k =-0.4014 0.4466-0.0000 ( 2498 PWs) bands (ev): -31.9716 -31.9716 -31.9655 -31.9655 -13.0066 -13.0066 -12.9937 -12.9937 -11.6507 -11.6507 -11.6057 -11.6057 -11.5215 -11.5215 -11.4815 -11.4815 0.0562 0.0562 3.1810 3.1810 7.4459 7.4459 8.3100 8.3100 8.5336 8.5336 9.6711 9.6711 10.3173 10.3173 10.4090 10.4090 11.6012 11.6012 12.0591 12.0591 12.6057 12.6057 k =-0.3949 0.4631-0.0000 ( 2498 PWs) bands (ev): -31.9718 -31.9718 -31.9651 -31.9651 -13.0081 -13.0081 -12.9940 -12.9940 -11.6533 -11.6533 -11.6068 -11.6068 -11.5222 -11.5222 -11.4800 -11.4800 0.0746 0.0746 3.2197 3.2197 7.3419 7.3419 8.3083 8.3083 8.5055 8.5055 9.6143 9.6143 10.3711 10.3711 10.3775 10.3775 11.5327 11.5327 12.0955 12.0955 12.5981 12.5981 k =-0.3883 0.4796-0.0000 ( 2498 PWs) bands (ev): -31.9720 -31.9720 -31.9646 -31.9646 -13.0097 -13.0097 -12.9943 -12.9943 -11.6559 -11.6559 -11.6081 -11.6081 -11.5230 -11.5230 -11.4785 -11.4785 0.0935 0.0935 3.2603 3.2603 7.2386 7.2386 8.3064 8.3064 8.4782 8.4782 9.5360 9.5360 10.3605 10.3605 10.4373 10.4373 11.4656 11.4656 12.1348 12.1348 12.5887 12.5887 k =-0.3817 0.4961-0.0000 ( 2502 PWs) bands (ev): -31.9723 -31.9723 -31.9642 -31.9642 -13.0114 -13.0114 -12.9946 -12.9946 -11.6583 -11.6583 -11.6096 -11.6096 -11.5238 -11.5238 -11.4769 -11.4769 0.1128 0.1128 3.3024 3.3024 7.1365 7.1365 8.3040 8.3040 8.4523 8.4523 9.4417 9.4417 10.3716 10.3716 10.4969 10.4969 11.4004 11.4004 12.1768 12.1768 12.5780 12.5780 k =-0.3751 0.5126-0.0000 ( 2500 PWs) bands (ev): -31.9725 -31.9725 -31.9637 -31.9637 -13.0131 -13.0131 -12.9948 -12.9948 -11.6608 -11.6608 -11.6112 -11.6112 -11.5247 -11.5247 -11.4753 -11.4753 0.1323 0.1323 3.3461 3.3461 7.0358 7.0358 8.3004 8.3004 8.4285 8.4285 9.3372 9.3372 10.3988 10.3988 10.5563 10.5563 11.3373 11.3373 12.2213 12.2213 12.5665 12.5665 k =-0.3686 0.5291-0.0000 ( 2502 PWs) bands (ev): -31.9728 -31.9728 -31.9633 -31.9633 -13.0149 -13.0149 -12.9949 -12.9949 -11.6631 -11.6631 -11.6129 -11.6129 -11.5256 -11.5256 -11.4735 -11.4735 0.1518 0.1518 3.3911 3.3911 6.9369 6.9369 8.2951 8.2951 8.4077 8.4077 9.2272 9.2272 10.4375 10.4375 10.6155 10.6155 11.2766 11.2766 12.2679 12.2679 12.5543 12.5543 k =-0.3620 0.5455-0.0000 ( 2502 PWs) bands (ev): -31.9730 -31.9730 -31.9628 -31.9628 -13.0167 -13.0167 -12.9950 -12.9950 -11.6654 -11.6654 -11.6146 -11.6146 -11.5264 -11.5264 -11.4717 -11.4717 0.1713 0.1713 3.4372 3.4372 6.8401 6.8401 8.2871 8.2871 8.3910 8.3910 9.1147 9.1147 10.4846 10.4846 10.6747 10.6747 11.2183 11.2183 12.3162 12.3162 12.5419 12.5419 k =-0.3554 0.5620-0.0000 ( 2506 PWs) bands (ev): -31.9733 -31.9733 -31.9623 -31.9623 -13.0186 -13.0186 -12.9950 -12.9950 -11.6675 -11.6675 -11.6165 -11.6165 -11.5273 -11.5273 -11.4698 -11.4698 0.1906 0.1906 3.4843 3.4843 6.7457 6.7457 8.2760 8.2760 8.3790 8.3790 9.0021 9.0021 10.5381 10.5381 10.7339 10.7339 11.1628 11.1628 12.3651 12.3651 12.5303 12.5303 k =-0.3489 0.5785-0.0000 ( 2514 PWs) bands (ev): -31.9736 -31.9736 -31.9618 -31.9618 -13.0205 -13.0205 -12.9949 -12.9949 -11.6696 -11.6696 -11.6183 -11.6183 -11.5283 -11.5283 -11.4679 -11.4679 0.2095 0.2095 3.5320 3.5320 6.6539 6.6539 8.2619 8.2619 8.3718 8.3718 8.8906 8.8906 10.5965 10.5965 10.7931 10.7931 11.1101 11.1101 12.4118 12.4118 12.5221 12.5221 k =-0.3423 0.5950-0.0000 ( 2516 PWs) bands (ev): -31.9739 -31.9739 -31.9613 -31.9613 -13.0225 -13.0225 -12.9948 -12.9948 -11.6716 -11.6716 -11.6202 -11.6202 -11.5292 -11.5292 -11.4660 -11.4660 0.2278 0.2278 3.5803 3.5803 6.5651 6.5651 8.2458 8.2458 8.3684 8.3684 8.7816 8.7816 10.6589 10.6589 10.8523 10.8523 11.0605 11.0605 12.4456 12.4456 12.5276 12.5276 k =-0.3357 0.6115-0.0000 ( 2518 PWs) bands (ev): -31.9743 -31.9743 -31.9607 -31.9607 -13.0244 -13.0244 -12.9946 -12.9946 -11.6736 -11.6736 -11.6221 -11.6221 -11.5302 -11.5302 -11.4640 -11.4640 0.2454 0.2454 3.6287 3.6287 6.4795 6.4795 8.2288 8.2288 8.3678 8.3678 8.6758 8.6758 10.7244 10.7244 10.9111 10.9111 11.0147 11.0147 12.4522 12.4522 12.5611 12.5611 k =-0.3291 0.6280-0.0000 ( 2518 PWs) bands (ev): -31.9746 -31.9746 -31.9602 -31.9602 -13.0264 -13.0264 -12.9942 -12.9942 -11.6754 -11.6754 -11.6239 -11.6239 -11.5312 -11.5312 -11.4619 -11.4619 0.2621 0.2621 3.6771 3.6771 6.3973 6.3973 8.2117 8.2117 8.3691 8.3691 8.5744 8.5744 10.7923 10.7923 10.9573 10.9573 10.9849 10.9849 12.4428 12.4428 12.6104 12.6104 k =-0.3226 0.6445-0.0000 ( 2516 PWs) bands (ev): -31.9750 -31.9750 -31.9596 -31.9596 -13.0284 -13.0284 -12.9938 -12.9938 -11.6772 -11.6772 -11.6256 -11.6256 -11.5322 -11.5322 -11.4599 -11.4599 0.2777 0.2777 3.7251 3.7251 6.3189 6.3189 8.1949 8.1949 8.3705 8.3705 8.4792 8.4792 10.8605 10.8605 10.9292 10.9292 11.0347 11.0347 12.4281 12.4281 12.6423 12.6423 k =-0.3160 0.6610-0.0000 ( 2512 PWs) bands (ev): -31.9754 -31.9754 -31.9591 -31.9591 -13.0304 -13.0304 -12.9933 -12.9933 -11.6789 -11.6789 -11.6272 -11.6272 -11.5332 -11.5332 -11.4578 -11.4578 0.2921 0.2921 3.7724 3.7724 6.2445 6.2445 8.1781 8.1781 8.3596 8.3596 8.4035 8.4035 10.8839 10.8839 10.9414 10.9414 11.0942 11.0942 12.4112 12.4112 12.6148 12.6148 k =-0.3094 0.6775-0.0000 ( 2512 PWs) bands (ev): -31.9757 -31.9757 -31.9585 -31.9585 -13.0324 -13.0324 -12.9926 -12.9926 -11.6806 -11.6806 -11.6286 -11.6286 -11.5342 -11.5342 -11.4557 -11.4557 0.3050 0.3050 3.8187 3.8187 6.1743 6.1743 8.1600 8.1600 8.2940 8.2940 8.3916 8.3916 10.8530 10.8530 11.0119 11.0119 11.1544 11.1544 12.3927 12.3927 12.5817 12.5817 k =-0.3029 0.6939-0.0000 ( 2512 PWs) bands (ev): -31.9761 -31.9761 -31.9580 -31.9580 -13.0344 -13.0344 -12.9918 -12.9918 -11.6822 -11.6822 -11.6300 -11.6300 -11.5353 -11.5353 -11.4536 -11.4536 0.3164 0.3164 3.8635 3.8635 6.1085 6.1085 8.1351 8.1351 8.2268 8.2268 8.3966 8.3966 10.8227 10.8227 11.0860 11.0860 11.2150 11.2150 12.3729 12.3729 12.5456 12.5456 k =-0.2963 0.7104-0.0000 ( 2514 PWs) bands (ev): -31.9766 -31.9766 -31.9574 -31.9574 -13.0364 -13.0364 -12.9910 -12.9910 -11.6837 -11.6837 -11.6311 -11.6311 -11.5363 -11.5363 -11.4515 -11.4515 0.3261 0.3261 3.9066 3.9066 6.0473 6.0473 8.0918 8.0918 8.1843 8.1843 8.4041 8.4041 10.7953 10.7953 11.1609 11.1609 11.2759 11.2759 12.3517 12.3517 12.5070 12.5070 k =-0.2897 0.7269-0.0000 ( 2518 PWs) bands (ev): -31.9770 -31.9770 -31.9569 -31.9569 -13.0383 -13.0383 -12.9899 -12.9899 -11.6853 -11.6853 -11.6320 -11.6320 -11.5374 -11.5374 -11.4495 -11.4495 0.3338 0.3338 3.9474 3.9474 5.9911 5.9911 8.0336 8.0336 8.1646 8.1646 8.4130 8.4130 10.7712 10.7712 11.2361 11.2361 11.3369 11.3369 12.3289 12.3289 12.4665 12.4665 k =-0.2897 0.7269-0.0000 ( 2518 PWs) bands (ev): -31.9770 -31.9770 -31.9569 -31.9569 -13.0383 -13.0383 -12.9899 -12.9899 -11.6853 -11.6853 -11.6320 -11.6320 -11.5374 -11.5374 -11.4495 -11.4495 0.3338 0.3338 3.9474 3.9474 5.9911 5.9911 8.0336 8.0336 8.1646 8.1646 8.4130 8.4130 10.7712 10.7712 11.2361 11.2361 11.3369 11.3369 12.3289 12.3289 12.4665 12.4665 k =-0.2897 0.7269 0.0183 ( 2511 PWs) bands (ev): -31.9770 -31.9770 -31.9569 -31.9569 -13.0383 -13.0383 -12.9900 -12.9900 -11.6853 -11.6853 -11.6320 -11.6320 -11.5375 -11.5375 -11.4496 -11.4496 0.3349 0.3349 3.9460 3.9460 5.9927 5.9927 8.0261 8.0261 8.1688 8.1688 8.4125 8.4125 10.7635 10.7635 11.2400 11.2400 11.3442 11.3442 12.2993 12.2993 12.4973 12.4973 k =-0.2897 0.7269 0.0365 ( 2505 PWs) bands (ev): -31.9769 -31.9769 -31.9568 -31.9568 -13.0384 -13.0384 -12.9902 -12.9902 -11.6856 -11.6856 -11.6318 -11.6318 -11.5377 -11.5377 -11.4499 -11.4499 0.3379 0.3379 3.9420 3.9420 5.9976 5.9976 8.0057 8.0057 8.1794 8.1794 8.4113 8.4113 10.7418 10.7418 11.2514 11.2514 11.3645 11.3645 12.2428 12.2428 12.5578 12.5578 k =-0.2897 0.7269 0.0548 ( 2507 PWs) bands (ev): -31.9768 -31.9768 -31.9568 -31.9568 -13.0385 -13.0385 -12.9904 -12.9904 -11.6860 -11.6860 -11.6316 -11.6316 -11.5382 -11.5382 -11.4505 -11.4505 0.3431 0.3431 3.9351 3.9351 6.0057 6.0057 7.9759 7.9759 8.1931 8.1931 8.4091 8.4091 10.7089 10.7089 11.2693 11.2693 11.3951 11.3951 12.1821 12.1821 12.6256 12.6256 k =-0.2897 0.7269 0.0730 ( 2505 PWs) bands (ev): -31.9767 -31.9767 -31.9568 -31.9568 -13.0386 -13.0386 -12.9908 -12.9908 -11.6865 -11.6865 -11.6313 -11.6313 -11.5388 -11.5388 -11.4512 -11.4512 0.3502 0.3502 3.9255 3.9255 6.0171 6.0171 7.9395 7.9395 8.2080 8.2080 8.4062 8.4062 10.6682 10.6682 11.2919 11.2919 11.4325 11.4325 12.1234 12.1234 12.6957 12.6957 k =-0.2897 0.7269 0.0913 ( 2507 PWs) bands (ev): -31.9765 -31.9765 -31.9568 -31.9568 -13.0387 -13.0387 -12.9913 -12.9913 -11.6872 -11.6872 -11.6310 -11.6310 -11.5395 -11.5395 -11.4522 -11.4522 0.3594 0.3594 3.9130 3.9130 6.0316 6.0316 7.8978 7.8978 8.2233 8.2233 8.4024 8.4024 10.6224 10.6224 11.3167 11.3167 11.4738 11.4738 12.0699 12.0699 12.7661 12.7661 k =-0.2897 0.7269 0.1095 ( 2506 PWs) bands (ev): -31.9763 -31.9763 -31.9568 -31.9568 -13.0389 -13.0389 -12.9918 -12.9918 -11.6881 -11.6881 -11.6306 -11.6306 -11.5404 -11.5404 -11.4534 -11.4534 0.3707 0.3707 3.8976 3.8976 6.0492 6.0492 7.8521 7.8521 8.2387 8.2387 8.3979 8.3979 10.5738 10.5738 11.3398 11.3398 11.5169 11.5169 12.0249 12.0249 12.8360 12.8360 k =-0.2897 0.7269 0.1278 ( 2510 PWs) bands (ev): -31.9761 -31.9761 -31.9567 -31.9567 -13.0391 -13.0391 -12.9925 -12.9925 -11.6890 -11.6890 -11.6301 -11.6301 -11.5415 -11.5415 -11.4547 -11.4547 0.3840 0.3840 3.8792 3.8792 6.0699 6.0699 7.8031 7.8031 8.2540 8.2540 8.3928 8.3928 10.5240 10.5240 11.3569 11.3569 11.5602 11.5602 11.9920 11.9920 12.9040 12.9040 k =-0.2897 0.7269 0.1461 ( 2514 PWs) bands (ev): -31.9758 -31.9758 -31.9567 -31.9567 -13.0393 -13.0393 -12.9933 -12.9933 -11.6901 -11.6901 -11.6297 -11.6297 -11.5427 -11.5427 -11.4563 -11.4563 0.3993 0.3993 3.8577 3.8577 6.0934 6.0934 7.7519 7.7519 8.2690 8.2690 8.3873 8.3873 10.4740 10.4740 11.3632 11.3632 11.6026 11.6026 11.9749 11.9749 12.9667 12.9667 k =-0.2897 0.7269 0.1643 ( 2518 PWs) bands (ev): -31.9755 -31.9755 -31.9567 -31.9567 -13.0395 -13.0395 -12.9942 -12.9942 -11.6912 -11.6912 -11.6292 -11.6292 -11.5440 -11.5440 -11.4580 -11.4580 0.4167 0.4167 3.8330 3.8330 6.1199 6.1199 7.6992 7.6992 8.2832 8.2832 8.3821 8.3821 10.4247 10.4247 11.3553 11.3553 11.6435 11.6435 11.9760 11.9760 13.0139 13.0139 k =-0.2897 0.7269 0.1826 ( 2520 PWs) bands (ev): -31.9752 -31.9752 -31.9567 -31.9567 -13.0398 -13.0398 -12.9952 -12.9952 -11.6925 -11.6925 -11.6288 -11.6288 -11.5454 -11.5454 -11.4598 -11.4598 0.4361 0.4361 3.8052 3.8052 6.1490 6.1490 7.6457 7.6457 8.2953 8.2953 8.3783 8.3783 10.3769 10.3769 11.3328 11.3328 11.6821 11.6821 11.9949 11.9949 13.0477 13.0477 k =-0.2897 0.7269 0.2008 ( 2520 PWs) bands (ev): -31.9749 -31.9749 -31.9566 -31.9566 -13.0401 -13.0401 -12.9962 -12.9962 -11.6938 -11.6938 -11.6284 -11.6284 -11.5469 -11.5469 -11.4617 -11.4617 0.4575 0.4575 3.7740 3.7740 6.1807 6.1807 7.5924 7.5924 8.3030 8.3030 8.3781 8.3781 10.3310 10.3310 11.2980 11.2980 11.7179 11.7179 12.0285 12.0285 13.0804 13.0804 k =-0.2897 0.7269 0.2191 ( 2516 PWs) bands (ev): -31.9745 -31.9745 -31.9565 -31.9565 -13.0404 -13.0404 -12.9974 -12.9974 -11.6951 -11.6951 -11.6280 -11.6280 -11.5484 -11.5484 -11.4638 -11.4638 0.4809 0.4809 3.7395 3.7395 6.2148 6.2148 7.5397 7.5397 8.3042 8.3042 8.3838 8.3838 10.2875 10.2875 11.2540 11.2540 11.7509 11.7509 12.0729 12.0729 13.1158 13.1158 k =-0.2897 0.7269 0.2373 ( 2508 PWs) bands (ev): -31.9740 -31.9740 -31.9565 -31.9565 -13.0407 -13.0407 -12.9986 -12.9986 -11.6965 -11.6965 -11.6277 -11.6277 -11.5500 -11.5500 -11.4659 -11.4659 0.5063 0.5063 3.7017 3.7017 6.2512 6.2512 7.4883 7.4883 8.2988 8.2988 8.3953 8.3953 10.2466 10.2466 11.2040 11.2040 11.7808 11.7808 12.1245 12.1245 13.1549 13.1549 k =-0.2897 0.7269 0.2556 ( 2504 PWs) bands (ev): -31.9736 -31.9736 -31.9564 -31.9564 -13.0411 -13.0411 -12.9999 -12.9999 -11.6979 -11.6979 -11.6275 -11.6275 -11.5517 -11.5517 -11.4681 -11.4681 0.5337 0.5337 3.6605 3.6605 6.2897 6.2897 7.4387 7.4387 8.2887 8.2887 8.4105 8.4105 10.2087 10.2087 11.1504 11.1504 11.8081 11.8081 12.1803 12.1803 13.1979 13.1979 k =-0.2897 0.7269 0.2739 ( 2500 PWs) bands (ev): -31.9731 -31.9731 -31.9564 -31.9564 -13.0414 -13.0414 -13.0013 -13.0013 -11.6994 -11.6994 -11.6274 -11.6274 -11.5533 -11.5533 -11.4703 -11.4703 0.5631 0.5631 3.6159 3.6159 6.3300 6.3300 7.3913 7.3913 8.2756 8.2756 8.4278 8.4278 10.1740 10.1740 11.0946 11.0946 11.8329 11.8329 12.2384 12.2384 13.2446 13.2446 k =-0.2897 0.7269 0.2921 ( 2500 PWs) bands (ev): -31.9726 -31.9726 -31.9563 -31.9563 -13.0418 -13.0418 -13.0027 -13.0027 -11.7008 -11.7008 -11.6274 -11.6274 -11.5550 -11.5550 -11.4726 -11.4726 0.5945 0.5945 3.5681 3.5681 6.3720 6.3720 7.3463 7.3463 8.2606 8.2606 8.4461 8.4461 10.1425 10.1425 11.0380 11.0380 11.8558 11.8558 12.2972 12.2972 13.2949 13.2949 k =-0.2897 0.7269 0.3104 ( 2498 PWs) bands (ev): -31.9721 -31.9721 -31.9563 -31.9563 -13.0421 -13.0421 -13.0043 -13.0043 -11.7023 -11.7023 -11.6276 -11.6276 -11.5566 -11.5566 -11.4749 -11.4749 0.6278 0.6278 3.5171 3.5171 6.4153 6.4153 7.3042 7.3042 8.2441 8.2441 8.4646 8.4646 10.1143 10.1143 10.9814 10.9814 11.8770 11.8770 12.3558 12.3558 13.3483 13.3483 k =-0.2897 0.7269 0.3286 ( 2502 PWs) bands (ev): -31.9715 -31.9715 -31.9563 -31.9563 -13.0425 -13.0425 -13.0058 -13.0058 -11.7037 -11.7037 -11.6278 -11.6278 -11.5582 -11.5582 -11.4771 -11.4771 0.6631 0.6631 3.4630 3.4630 6.4598 6.4598 7.2650 7.2650 8.2267 8.2267 8.4828 8.4828 10.0894 10.0894 10.9254 10.9254 11.8972 11.8972 12.4135 12.4135 13.4044 13.4044 k =-0.2897 0.7269 0.3469 ( 2502 PWs) bands (ev): -31.9710 -31.9710 -31.9562 -31.9562 -13.0429 -13.0429 -13.0075 -13.0075 -11.7051 -11.7051 -11.6282 -11.6282 -11.5598 -11.5598 -11.4793 -11.4793 0.7003 0.7003 3.4059 3.4059 6.5050 6.5050 7.2289 7.2289 8.2088 8.2088 8.5005 8.5005 10.0678 10.0678 10.8704 10.8704 11.9168 11.9168 12.4700 12.4700 13.4629 13.4629 k =-0.2897 0.7269 0.3651 ( 2492 PWs) bands (ev): -31.9705 -31.9705 -31.9562 -31.9562 -13.0432 -13.0432 -13.0091 -13.0091 -11.7065 -11.7065 -11.6287 -11.6287 -11.5613 -11.5613 -11.4815 -11.4815 0.7395 0.7395 3.3461 3.3461 6.5507 6.5507 7.1959 7.1959 8.1908 8.1908 8.5171 8.5171 10.0495 10.0495 10.8169 10.8169 11.9363 11.9363 12.5249 12.5249 13.5233 13.5233 k =-0.2897 0.7269 0.3834 ( 2494 PWs) bands (ev): -31.9699 -31.9699 -31.9562 -31.9562 -13.0436 -13.0436 -13.0109 -13.0109 -11.7078 -11.7078 -11.6294 -11.6294 -11.5627 -11.5627 -11.4836 -11.4836 0.7806 0.7806 3.2836 3.2836 6.5966 6.5966 7.1660 7.1660 8.1730 8.1730 8.5324 8.5324 10.0343 10.0343 10.7650 10.7650 11.9560 11.9560 12.5781 12.5781 13.5851 13.5851 k =-0.2897 0.7269 0.4016 ( 2496 PWs) bands (ev): -31.9693 -31.9693 -31.9563 -31.9563 -13.0439 -13.0439 -13.0126 -13.0126 -11.7091 -11.7091 -11.6302 -11.6302 -11.5641 -11.5641 -11.4856 -11.4856 0.8235 0.8235 3.2188 3.2188 6.6421 6.6421 7.1393 7.1393 8.1559 8.1559 8.5460 8.5460 10.0222 10.0222 10.7150 10.7150 11.9764 11.9764 12.6296 12.6296 13.6479 13.6479 k =-0.2897 0.7269 0.4199 ( 2485 PWs) bands (ev): -31.9687 -31.9687 -31.9562 -31.9562 -13.0442 -13.0442 -13.0144 -13.0144 -11.7103 -11.7103 -11.6311 -11.6311 -11.5654 -11.5654 -11.4875 -11.4875 0.8683 0.8683 3.1518 3.1518 6.6869 6.6869 7.1156 7.1156 8.1400 8.1400 8.5575 8.5575 10.0129 10.0129 10.6670 10.6670 11.9978 11.9978 12.6790 12.6790 13.7112 13.7112 k =-0.2897 0.7269 0.4382 ( 2485 PWs) bands (ev): -31.9681 -31.9681 -31.9563 -31.9563 -13.0445 -13.0445 -13.0161 -13.0161 -11.7115 -11.7115 -11.6321 -11.6321 -11.5666 -11.5666 -11.4894 -11.4894 0.9150 0.9150 3.0828 3.0828 6.7305 6.7305 7.0949 7.0949 8.1256 8.1256 8.5668 8.5668 10.0064 10.0064 10.6213 10.6213 12.0205 12.0205 12.7263 12.7263 13.7734 13.7734 k =-0.2897 0.7269 0.4564 ( 2482 PWs) bands (ev): -31.9675 -31.9675 -31.9563 -31.9563 -13.0447 -13.0447 -13.0179 -13.0179 -11.7126 -11.7126 -11.6332 -11.6332 -11.5677 -11.5677 -11.4911 -11.4911 0.9635 0.9635 3.0121 3.0121 6.7725 6.7725 7.0771 7.0771 8.1132 8.1132 8.5734 8.5734 10.0024 10.0024 10.5778 10.5778 12.0448 12.0448 12.7708 12.7708 13.8064 13.8064 k =-0.2897 0.7269 0.4747 ( 2484 PWs) bands (ev): -31.9670 -31.9670 -31.9564 -31.9564 -13.0449 -13.0449 -13.0197 -13.0197 -11.7137 -11.7137 -11.6343 -11.6343 -11.5688 -11.5688 -11.4926 -11.4926 1.0138 1.0138 2.9400 2.9400 6.8124 6.8124 7.0619 7.0619 8.1035 8.1035 8.5772 8.5772 10.0009 10.0009 10.5365 10.5365 12.0708 12.0708 12.8119 12.8119 13.8023 13.8023 k =-0.2897 0.7269 0.4929 ( 2484 PWs) bands (ev): -31.9664 -31.9664 -31.9565 -31.9565 -13.0450 -13.0450 -13.0215 -13.0215 -11.7146 -11.7146 -11.6356 -11.6356 -11.5697 -11.5697 -11.4941 -11.4941 1.0659 1.0659 2.8665 2.8665 6.8495 6.8495 7.0494 7.0494 8.0967 8.0967 8.5781 8.5781 10.0016 10.0016 10.4976 10.4976 12.0987 12.0987 12.8486 12.8486 13.7954 13.7954 k =-0.2897 0.7269 0.5112 ( 2492 PWs) bands (ev): -31.9658 -31.9658 -31.9567 -31.9567 -13.0451 -13.0451 -13.0232 -13.0232 -11.7155 -11.7155 -11.6368 -11.6368 -11.5706 -11.5706 -11.4954 -11.4954 1.1198 1.1198 2.7921 2.7921 6.8836 6.8836 7.0394 7.0394 8.0933 8.0933 8.5757 8.5757 10.0043 10.0043 10.4609 10.4609 12.1286 12.1286 12.8797 12.8797 13.7901 13.7901 k =-0.2897 0.7269 0.5294 ( 2490 PWs) bands (ev): -31.9652 -31.9652 -31.9568 -31.9568 -13.0451 -13.0451 -13.0249 -13.0249 -11.7164 -11.7164 -11.6380 -11.6380 -11.5714 -11.5714 -11.4966 -11.4966 1.1754 1.1754 2.7168 2.7168 6.9139 6.9139 7.0319 7.0319 8.0936 8.0936 8.5701 8.5701 10.0090 10.0090 10.4263 10.4263 12.1607 12.1607 12.9036 12.9036 13.7895 13.7895 k =-0.2897 0.7269 0.5477 ( 2490 PWs) bands (ev): -31.9647 -31.9647 -31.9570 -31.9570 -13.0451 -13.0451 -13.0266 -13.0266 -11.7171 -11.7171 -11.6393 -11.6393 -11.5722 -11.5722 -11.4977 -11.4977 1.2326 1.2326 2.6409 2.6409 6.9401 6.9401 7.0268 7.0268 8.0980 8.0980 8.5612 8.5612 10.0155 10.0155 10.3939 10.3939 12.1949 12.1949 12.9189 12.9189 13.7962 13.7962 k =-0.2897 0.7269 0.5660 ( 2485 PWs) bands (ev): -31.9641 -31.9641 -31.9571 -31.9571 -13.0450 -13.0450 -13.0282 -13.0282 -11.7178 -11.7178 -11.6405 -11.6405 -11.5729 -11.5729 -11.4987 -11.4987 1.2915 1.2915 2.5647 2.5647 6.9617 6.9617 7.0243 7.0243 8.1066 8.1066 8.5491 8.5491 10.0236 10.0236 10.3634 10.3634 12.2312 12.2312 12.9244 12.9244 13.8120 13.8120 k =-0.2897 0.7269 0.5842 ( 2487 PWs) bands (ev): -31.9636 -31.9636 -31.9573 -31.9573 -13.0448 -13.0448 -13.0298 -13.0298 -11.7184 -11.7184 -11.6416 -11.6416 -11.5735 -11.5735 -11.4995 -11.4995 1.3521 1.3521 2.4882 2.4882 6.9780 6.9780 7.0248 7.0248 8.1193 8.1193 8.5338 8.5338 10.0332 10.0332 10.3346 10.3346 12.2697 12.2697 12.9198 12.9198 13.8379 13.8379 k =-0.2897 0.7269 0.6025 ( 2489 PWs) bands (ev): -31.9630 -31.9630 -31.9576 -31.9576 -13.0446 -13.0446 -13.0314 -13.0314 -11.7189 -11.7189 -11.6426 -11.6426 -11.5741 -11.5741 -11.5002 -11.5002 1.4142 1.4142 2.4117 2.4117 6.9889 6.9889 7.0283 7.0283 8.1359 8.1359 8.5155 8.5155 10.0442 10.0442 10.3076 10.3076 12.3101 12.3101 12.9052 12.9052 13.8738 13.8738 k =-0.2897 0.7269 0.6207 ( 2493 PWs) bands (ev): -31.9625 -31.9625 -31.9578 -31.9578 -13.0443 -13.0443 -13.0328 -13.0328 -11.7194 -11.7194 -11.6436 -11.6436 -11.5746 -11.5746 -11.5008 -11.5008 1.4778 1.4778 2.3354 2.3354 6.9954 6.9954 7.0337 7.0337 8.1562 8.1562 8.4944 8.4944 10.0564 10.0564 10.2820 10.2820 12.3524 12.3524 12.8819 12.8819 13.9188 13.9188 k =-0.2897 0.7269 0.6390 ( 2491 PWs) bands (ev): -31.9620 -31.9620 -31.9581 -31.9581 -13.0438 -13.0438 -13.0342 -13.0342 -11.7197 -11.7197 -11.6444 -11.6444 -11.5750 -11.5750 -11.5014 -11.5014 1.5429 1.5429 2.2593 2.2593 6.9995 6.9995 7.0392 7.0392 8.1797 8.1797 8.4708 8.4708 10.0698 10.0698 10.2578 10.2578 12.3965 12.3965 12.8512 12.8512 13.9712 13.9712 k =-0.2897 0.7269 0.6572 ( 2486 PWs) bands (ev): -31.9615 -31.9615 -31.9584 -31.9584 -13.0434 -13.0434 -13.0355 -13.0355 -11.7201 -11.7201 -11.6451 -11.6451 -11.5753 -11.5753 -11.5018 -11.5018 1.6094 1.6094 2.1838 2.1838 7.0024 7.0024 7.0438 7.0438 8.2059 8.2059 8.4449 8.4449 10.0843 10.0843 10.2348 10.2348 12.4420 12.4420 12.8146 12.8146 14.0288 14.0288 k =-0.2897 0.7269 0.6755 ( 2482 PWs) bands (ev): -31.9611 -31.9611 -31.9587 -31.9587 -13.0428 -13.0428 -13.0367 -13.0367 -11.7203 -11.7203 -11.6457 -11.6457 -11.5756 -11.5756 -11.5021 -11.5021 1.6772 1.6772 2.1088 2.1088 7.0047 7.0047 7.0471 7.0471 8.2342 8.2342 8.4171 8.4171 10.0997 10.0997 10.2130 10.2130 12.4886 12.4886 12.7737 12.7737 14.0890 14.0890 k =-0.2897 0.7269 0.6938 ( 2486 PWs) bands (ev): -31.9606 -31.9606 -31.9590 -31.9590 -13.0422 -13.0422 -13.0377 -13.0377 -11.7205 -11.7205 -11.6461 -11.6461 -11.5758 -11.5758 -11.5023 -11.5023 1.7463 1.7463 2.0346 2.0346 7.0065 7.0065 7.0491 7.0491 8.2641 8.2641 8.3877 8.3877 10.1159 10.1159 10.1923 10.1923 12.5359 12.5359 12.7298 12.7298 14.1488 14.1488 k =-0.2897 0.7269 0.7120 ( 2486 PWs) bands (ev): -31.9602 -31.9602 -31.9594 -31.9594 -13.0416 -13.0416 -13.0386 -13.0386 -11.7206 -11.7206 -11.6463 -11.6463 -11.5759 -11.5759 -11.5024 -11.5024 1.8165 1.8165 1.9613 1.9613 7.0077 7.0077 7.0502 7.0502 8.2949 8.2949 8.3573 8.3573 10.1326 10.1326 10.1730 10.1730 12.5828 12.5828 12.6847 12.6847 14.2041 14.2041 k =-0.2897 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7206 -11.7206 -11.6464 -11.6464 -11.5759 -11.5759 -11.5025 -11.5025 1.8805 1.8805 1.8963 1.8963 7.0081 7.0081 7.0505 7.0505 8.3256 8.3256 8.3268 8.3268 10.1446 10.1446 10.1601 10.1601 12.6171 12.6171 12.6510 12.6510 14.2392 14.2392 k =-0.2897 0.7269 0.7303 ( 2488 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0414 -13.0414 -13.0389 -13.0389 -11.7206 -11.7206 -11.6464 -11.6464 -11.5759 -11.5759 -11.5025 -11.5025 1.8805 1.8805 1.8963 1.8963 7.0081 7.0081 7.0505 7.0505 8.3256 8.3256 8.3268 8.3268 10.1446 10.1446 10.1601 10.1601 12.6171 12.6171 12.6510 12.6510 14.2392 14.2392 k =-0.2963 0.7104 0.7303 ( 2484 PWs) bands (ev): -31.9598 -31.9598 -31.9598 -31.9598 -13.0412 -13.0412 -13.0390 -13.0390 -11.7215 -11.7215 -11.6482 -11.6482 -11.5732 -11.5732 -11.5004 -11.5004 1.8880 1.8880 1.9044 1.9044 6.9669 6.9669 7.0083 7.0083 8.3431 8.3431 8.3450 8.3450 10.1690 10.1690 10.1833 10.1833 12.5207 12.5207 12.5543 12.5543 14.3435 14.3435 k =-0.3029 0.6939 0.7303 ( 2484 PWs) bands (ev): -31.9599 -31.9599 -31.9599 -31.9599 -13.0411 -13.0411 -13.0391 -13.0391 -11.7222 -11.7222 -11.6501 -11.6501 -11.5705 -11.5705 -11.4984 -11.4984 1.8957 1.8957 1.9126 1.9126 6.9257 6.9257 6.9661 6.9661 8.3603 8.3603 8.3629 8.3629 10.1959 10.1959 10.2092 10.2092 12.4229 12.4229 12.4563 12.4563 14.4402 14.4402 k =-0.3094 0.6775 0.7303 ( 2484 PWs) bands (ev): -31.9600 -31.9600 -31.9600 -31.9600 -13.0409 -13.0409 -13.0391 -13.0391 -11.7228 -11.7228 -11.6519 -11.6519 -11.5676 -11.5676 -11.4965 -11.4965 1.9035 1.9035 1.9209 1.9209 6.8847 6.8847 6.9239 6.9239 8.3772 8.3772 8.3805 8.3805 10.2257 10.2257 10.2381 10.2381 12.3245 12.3245 12.3577 12.3577 14.5222 14.5222 k =-0.3160 0.6610 0.7303 ( 2484 PWs) bands (ev): -31.9600 -31.9600 -31.9600 -31.9600 -13.0407 -13.0407 -13.0390 -13.0390 -11.7233 -11.7233 -11.6537 -11.6537 -11.5646 -11.5646 -11.4946 -11.4946 1.9114 1.9114 1.9291 1.9291 6.8439 6.8439 6.8821 6.8821 8.3937 8.3937 8.3977 8.3977 10.2585 10.2585 10.2703 10.2703 12.2258 12.2258 12.2587 12.2587 14.5838 14.5838 k =-0.3226 0.6445 0.7303 ( 2482 PWs) bands (ev): -31.9601 -31.9601 -31.9601 -31.9601 -13.0404 -13.0404 -13.0390 -13.0390 -11.7237 -11.7237 -11.6555 -11.6555 -11.5616 -11.5616 -11.4927 -11.4927 1.9194 1.9194 1.9374 1.9374 6.8036 6.8036 6.8408 6.8408 8.4098 8.4098 8.4146 8.4146 10.2946 10.2946 10.3057 10.3057 12.1272 12.1272 12.1599 12.1599 14.6232 14.6232 k =-0.3291 0.6280 0.7303 ( 2486 PWs) bands (ev): -31.9602 -31.9602 -31.9602 -31.9602 -13.0402 -13.0402 -13.0389 -13.0389 -11.7239 -11.7239 -11.6572 -11.6572 -11.5584 -11.5584 -11.4909 -11.4909 1.9273 1.9273 1.9456 1.9456 6.7639 6.7639 6.8000 6.8000 8.4256 8.4256 8.4311 8.4311 10.3341 10.3341 10.3447 10.3447 12.0290 12.0290 12.0614 12.0614 14.6440 14.6440 k =-0.3357 0.6115 0.7303 ( 2486 PWs) bands (ev): -31.9603 -31.9603 -31.9603 -31.9603 -13.0399 -13.0399 -13.0388 -13.0388 -11.7240 -11.7240 -11.6590 -11.6590 -11.5552 -11.5552 -11.4891 -11.4891 1.9351 1.9351 1.9536 1.9536 6.7249 6.7249 6.7601 6.7601 8.4412 8.4412 8.4474 8.4474 10.3770 10.3770 10.3873 10.3873 11.9314 11.9314 11.9634 11.9634 14.6512 14.6512 k =-0.3423 0.5950 0.7303 ( 2486 PWs) bands (ev): -31.9604 -31.9604 -31.9604 -31.9604 -13.0396 -13.0396 -13.0386 -13.0386 -11.7240 -11.7240 -11.6607 -11.6607 -11.5520 -11.5520 -11.4874 -11.4874 1.9429 1.9429 1.9616 1.9616 6.6869 6.6869 6.7210 6.7210 8.4565 8.4565 8.4634 8.4634 10.4235 10.4235 10.4335 10.4335 11.8346 11.8346 11.8662 11.8662 14.6487 14.6487 k =-0.3489 0.5785 0.7303 ( 2486 PWs) bands (ev): -31.9605 -31.9605 -31.9605 -31.9605 -13.0393 -13.0393 -13.0385 -13.0385 -11.7239 -11.7239 -11.6625 -11.6625 -11.5487 -11.5487 -11.4858 -11.4858 1.9506 1.9506 1.9693 1.9693 6.6499 6.6499 6.6829 6.6829 8.4718 8.4718 8.4793 8.4793 10.4736 10.4736 10.4834 10.4834 11.7388 11.7388 11.7699 11.7699 14.6388 14.6388 k =-0.3554 0.5620 0.7303 ( 2490 PWs) bands (ev): -31.9606 -31.9606 -31.9606 -31.9606 -13.0390 -13.0390 -13.0383 -13.0383 -11.7236 -11.7236 -11.6642 -11.6642 -11.5453 -11.5453 -11.4842 -11.4842 1.9581 1.9581 1.9768 1.9768 6.6140 6.6140 6.6460 6.6460 8.4870 8.4870 8.4952 8.4952 10.5272 10.5272 10.5369 10.5369 11.6441 11.6441 11.6746 11.6746 14.6229 14.6229 k =-0.3620 0.5455 0.7303 ( 2486 PWs) bands (ev): -31.9607 -31.9607 -31.9607 -31.9607 -13.0386 -13.0386 -13.0381 -13.0381 -11.7233 -11.7233 -11.6659 -11.6659 -11.5419 -11.5419 -11.4828 -11.4828 1.9654 1.9654 1.9840 1.9840 6.5794 6.5794 6.6103 6.6103 8.5023 8.5023 8.5111 8.5111 10.5844 10.5844 10.5942 10.5942 11.5507 11.5507 11.5806 11.5806 14.6011 14.6012 k =-0.3686 0.5291 0.7303 ( 2482 PWs) bands (ev): -31.9608 -31.9608 -31.9608 -31.9608 -13.0383 -13.0383 -13.0379 -13.0379 -11.7228 -11.7228 -11.6676 -11.6676 -11.5385 -11.5385 -11.4814 -11.4814 1.9724 1.9724 1.9909 1.9909 6.5461 6.5461 6.5759 6.5759 8.5178 8.5178 8.5272 8.5272 10.6451 10.6451 10.6551 10.6551 11.4588 11.4588 11.4880 11.4880 14.5733 14.5733 k =-0.3751 0.5126 0.7303 ( 2470 PWs) bands (ev): -31.9609 -31.9609 -31.9609 -31.9609 -13.0380 -13.0380 -13.0377 -13.0377 -11.7223 -11.7223 -11.6693 -11.6693 -11.5351 -11.5351 -11.4801 -11.4801 1.9793 1.9793 1.9975 1.9975 6.5142 6.5142 6.5429 6.5429 8.5336 8.5336 8.5436 8.5436 10.7092 10.7092 10.7195 10.7195 11.3686 11.3686 11.3970 11.3970 14.5372 14.5372 k =-0.3817 0.4961 0.7303 ( 2474 PWs) bands (ev): -31.9610 -31.9610 -31.9610 -31.9610 -13.0377 -13.0377 -13.0374 -13.0374 -11.7216 -11.7216 -11.6709 -11.6709 -11.5317 -11.5317 -11.4789 -11.4789 1.9858 1.9858 2.0037 2.0037 6.4839 6.4839 6.5114 6.5114 8.5498 8.5498 8.5603 8.5603 10.7764 10.7764 10.7873 10.7873 11.2805 11.2805 11.3077 11.3077 14.4915 14.4915 k =-0.3883 0.4796 0.7303 ( 2478 PWs) bands (ev): -31.9611 -31.9611 -31.9611 -31.9611 -13.0373 -13.0373 -13.0372 -13.0372 -11.7209 -11.7209 -11.6726 -11.6726 -11.5283 -11.5283 -11.4778 -11.4778 1.9921 1.9921 2.0096 2.0096 6.4551 6.4551 6.4814 6.4814 8.5665 8.5665 8.5774 8.5774 10.8462 10.8462 10.8584 10.8584 11.1951 11.1951 11.2205 11.2205 14.4364 14.4364 k =-0.3949 0.4631 0.7303 ( 2478 PWs) bands (ev): -31.9613 -31.9613 -31.9613 -31.9613 -13.0370 -13.0370 -13.0370 -13.0370 -11.7201 -11.7201 -11.6743 -11.6743 -11.5248 -11.5248 -11.4769 -11.4769 1.9980 1.9980 2.0150 2.0150 6.4279 6.4279 6.4530 6.4530 8.5837 8.5837 8.5949 8.5949 10.9168 10.9168 10.9319 10.9319 11.1144 11.1144 11.1363 11.1363 14.3707 14.3707 k =-0.4014 0.4466 0.7303 ( 2474 PWs) bands (ev): -31.9613 -31.9613 -31.9613 -31.9613 -13.0367 -13.0367 -13.0367 -13.0367 -11.7192 -11.7192 -11.6759 -11.6759 -11.5215 -11.5215 -11.4760 -11.4760 2.0036 2.0036 2.0200 2.0200 6.4024 6.4024 6.4262 6.4262 8.6014 8.6014 8.6129 8.6129 10.9703 10.9703 11.0000 11.0000 11.0562 11.0562 11.0629 11.0629 14.2942 14.2942 k =-0.4080 0.4301 0.7303 ( 2470 PWs) bands (ev): -31.9614 -31.9614 -31.9614 -31.9614 -13.0365 -13.0365 -13.0364 -13.0364 -11.7183 -11.7183 -11.6776 -11.6776 -11.5181 -11.5181 -11.4753 -11.4753 2.0089 2.0089 2.0247 2.0247 6.3786 6.3786 6.4010 6.4010 8.6197 8.6197 8.6315 8.6315 10.9309 10.9309 10.9636 10.9636 11.0967 11.0967 11.0997 11.0997 14.2075 14.2075 k =-0.4146 0.4136 0.7303 ( 2462 PWs) bands (ev): -31.9615 -31.9615 -31.9615 -31.9615 -13.0363 -13.0363 -13.0362 -13.0362 -11.7172 -11.7172 -11.6792 -11.6792 -11.5149 -11.5149 -11.4747 -11.4747 2.0138 2.0138 2.0288 2.0288 6.3565 6.3565 6.3776 6.3776 8.6385 8.6385 8.6504 8.6504 10.8593 10.8593 10.8881 10.8881 11.1750 11.1750 11.1813 11.1813 14.1119 14.1119 k =-0.4211 0.3971 0.7303 ( 2474 PWs) bands (ev): -31.9616 -31.9616 -31.9616 -31.9616 -13.0361 -13.0361 -13.0359 -13.0359 -11.7162 -11.7162 -11.6808 -11.6808 -11.5116 -11.5116 -11.4743 -11.4743 2.0184 2.0184 2.0326 2.0326 6.3361 6.3361 6.3558 6.3558 8.6578 8.6578 8.6697 8.6697 10.7871 10.7871 10.8136 10.8136 11.2601 11.2601 11.2678 11.2678 14.0092 14.0092 k =-0.4277 0.3807 0.7303 ( 2478 PWs) bands (ev): -31.9617 -31.9617 -31.9617 -31.9617 -13.0359 -13.0359 -13.0357 -13.0357 -11.7150 -11.7150 -11.6824 -11.6824 -11.5085 -11.5085 -11.4740 -11.4740 2.0226 2.0226 2.0359 2.0359 6.3175 6.3175 6.3357 6.3357 8.6774 8.6774 8.6892 8.6892 10.7173 10.7173 10.7421 10.7421 11.3488 11.3488 11.3574 11.3574 13.9009 13.9009 k =-0.4343 0.3642 0.7303 ( 2478 PWs) bands (ev): -31.9618 -31.9618 -31.9618 -31.9618 -13.0357 -13.0357 -13.0355 -13.0355 -11.7138 -11.7138 -11.6840 -11.6840 -11.5054 -11.5054 -11.4739 -11.4739 2.0265 2.0265 2.0389 2.0389 6.3006 6.3006 6.3173 6.3173 8.6972 8.6972 8.7088 8.7088 10.6509 10.6509 10.6740 10.6740 11.4404 11.4404 11.4496 11.4496 13.7887 13.7887 k =-0.4409 0.3477 0.7303 ( 2478 PWs) bands (ev): -31.9619 -31.9619 -31.9619 -31.9619 -13.0355 -13.0355 -13.0353 -13.0353 -11.7126 -11.7126 -11.6857 -11.6857 -11.5025 -11.5025 -11.4739 -11.4739 2.0301 2.0301 2.0414 2.0414 6.2855 6.2855 6.3006 6.3006 8.7169 8.7169 8.7281 8.7281 10.5885 10.5885 10.6100 10.6100 11.5345 11.5345 11.5442 11.5442 13.6738 13.6738 k =-0.4474 0.3312 0.7303 ( 2478 PWs) bands (ev): -31.9620 -31.9620 -31.9620 -31.9620 -13.0353 -13.0353 -13.0351 -13.0351 -11.7113 -11.7113 -11.6873 -11.6873 -11.4996 -11.4996 -11.4740 -11.4740 2.0333 2.0333 2.0435 2.0435 6.2720 6.2720 6.2856 6.2856 8.7363 8.7363 8.7470 8.7470 10.5307 10.5307 10.5504 10.5504 11.6307 11.6307 11.6409 11.6409 13.5573 13.5573 k =-0.4540 0.3147 0.7303 ( 2474 PWs) bands (ev): -31.9620 -31.9620 -31.9620 -31.9620 -13.0351 -13.0351 -13.0349 -13.0349 -11.7099 -11.7099 -11.6889 -11.6889 -11.4969 -11.4969 -11.4744 -11.4744 2.0362 2.0362 2.0453 2.0453 6.2603 6.2603 6.2723 6.2723 8.7550 8.7550 8.7650 8.7650 10.4780 10.4780 10.4958 10.4958 11.7286 11.7286 11.7392 11.7392 13.4405 13.4405 k =-0.4606 0.2982 0.7303 ( 2474 PWs) bands (ev): -31.9621 -31.9621 -31.9621 -31.9621 -13.0350 -13.0350 -13.0348 -13.0348 -11.7086 -11.7086 -11.6904 -11.6904 -11.4942 -11.4942 -11.4749 -11.4749 2.0388 2.0388 2.0467 2.0467 6.2504 6.2504 6.2607 6.2607 8.7727 8.7727 8.7818 8.7818 10.4309 10.4309 10.4467 10.4467 11.8276 11.8276 11.8385 11.8385 13.3243 13.3243 k =-0.4671 0.2817 0.7303 ( 2478 PWs) bands (ev): -31.9622 -31.9622 -31.9621 -31.9621 -13.0348 -13.0348 -13.0347 -13.0347 -11.7072 -11.7072 -11.6920 -11.6920 -11.4918 -11.4918 -11.4756 -11.4756 2.0411 2.0411 2.0477 2.0477 6.2421 6.2421 6.2508 6.2508 8.7890 8.7890 8.7970 8.7970 10.3900 10.3900 10.4035 10.4035 11.9269 11.9269 11.9379 11.9379 13.2101 13.2101 k =-0.4737 0.2652 0.7303 ( 2480 PWs) bands (ev): -31.9622 -31.9622 -31.9622 -31.9622 -13.0347 -13.0347 -13.0346 -13.0346 -11.7057 -11.7057 -11.6936 -11.6936 -11.4894 -11.4894 -11.4764 -11.4764 2.0430 2.0430 2.0484 2.0484 6.2355 6.2355 6.2425 6.2425 8.8033 8.8033 8.8100 8.8100 10.3559 10.3559 10.3670 10.3670 12.0250 12.0250 12.0359 12.0359 13.0997 13.0997 k =-0.4803 0.2487 0.7303 ( 2480 PWs) bands (ev): -31.9622 -31.9622 -31.9622 -31.9622 -13.0346 -13.0346 -13.0345 -13.0345 -11.7043 -11.7043 -11.6952 -11.6952 -11.4872 -11.4872 -11.4775 -11.4775 2.0447 2.0447 2.0488 2.0488 6.2306 6.2306 6.2358 6.2358 8.8153 8.8153 8.8205 8.8205 10.3291 10.3291 10.3375 10.3375 12.1193 12.1193 12.1297 12.1297 12.9963 12.9963 k =-0.4869 0.2322 0.7303 ( 2484 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0346 -13.0346 -13.0345 -13.0345 -11.7028 -11.7028 -11.6967 -11.6967 -11.4852 -11.4852 -11.4787 -11.4787 2.0461 2.0461 2.0488 2.0488 6.2273 6.2273 6.2308 6.2308 8.8244 8.8244 8.8280 8.8280 10.3099 10.3099 10.3157 10.3157 12.2044 12.2044 12.2134 12.2134 12.9057 12.9057 k =-0.4934 0.2158 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0345 -13.0345 -13.0345 -13.0345 -11.7013 -11.7013 -11.6983 -11.6983 -11.4833 -11.4833 -11.4800 -11.4800 2.0472 2.0472 2.0486 2.0486 6.2257 6.2257 6.2275 6.2275 8.8305 8.8305 8.8323 8.8323 10.2989 10.2989 10.3018 10.3018 12.2699 12.2699 12.2755 12.2755 12.8396 12.8396 k =-0.5000 0.1993 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0345 -13.0345 -13.0345 -13.0345 -11.6998 -11.6998 -11.6998 -11.6998 -11.4816 -11.4816 -11.4816 -11.4816 2.0481 2.0481 2.0481 2.0481 6.2258 6.2258 6.2258 6.2258 8.8331 8.8331 8.8331 8.8331 10.2962 10.2962 10.2962 10.2962 12.2977 12.2977 12.2977 12.2977 12.8164 12.8164 k =-0.5000 0.1993 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0345 -13.0345 -13.0345 -13.0345 -11.6998 -11.6998 -11.6998 -11.6998 -11.4816 -11.4816 -11.4816 -11.4816 2.0481 2.0481 2.0481 2.0481 6.2258 6.2258 6.2258 6.2258 8.8331 8.8331 8.8331 8.8331 10.2962 10.2962 10.2962 10.2962 12.2977 12.2977 12.2977 12.2977 12.8164 12.8164 k =-0.5000 0.1993 0.7120 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9622 -31.9622 -13.0347 -13.0347 -13.0341 -13.0341 -11.7015 -11.7015 -11.6979 -11.6979 -11.4831 -11.4831 -11.4802 -11.4802 1.9552 1.9552 2.1411 2.1411 6.1417 6.1417 6.3133 6.3133 8.8076 8.8076 8.8612 8.8612 10.2478 10.2478 10.3450 10.3450 12.2291 12.2291 12.3682 12.3682 12.7664 12.7664 k =-0.5000 0.1993 0.6938 ( 2484 PWs) bands (ev): -31.9624 -31.9624 -31.9622 -31.9622 -13.0348 -13.0348 -13.0336 -13.0336 -11.7029 -11.7029 -11.6957 -11.6957 -11.4847 -11.4847 -11.4788 -11.4788 1.8628 1.8628 2.2340 2.2340 6.0615 6.0615 6.4036 6.4036 8.7848 8.7848 8.8921 8.8921 10.2000 10.2000 10.3944 10.3944 12.1628 12.1628 12.4407 12.4407 12.7196 12.7196 k =-0.5000 0.1993 0.6755 ( 2476 PWs) bands (ev): -31.9625 -31.9625 -31.9622 -31.9622 -13.0348 -13.0348 -13.0329 -13.0329 -11.7041 -11.7041 -11.6932 -11.6932 -11.4863 -11.4863 -11.4776 -11.4776 1.7712 1.7712 2.3262 2.3262 5.9857 5.9857 6.4965 6.4965 8.7643 8.7643 8.9258 8.9258 10.1528 10.1528 10.4442 10.4442 12.0987 12.0987 12.5148 12.5148 12.6759 12.6759 k =-0.5000 0.1993 0.6572 ( 2476 PWs) bands (ev): -31.9626 -31.9626 -31.9623 -31.9623 -13.0346 -13.0346 -13.0321 -13.0321 -11.7049 -11.7049 -11.6905 -11.6905 -11.4881 -11.4881 -11.4764 -11.4764 1.6807 1.6807 2.4173 2.4173 5.9149 5.9149 6.5913 6.5913 8.7463 8.7463 8.9623 8.9623 10.1063 10.1063 10.4945 10.4945 12.0372 12.0372 12.5900 12.5900 12.6356 12.6356 k =-0.5000 0.1993 0.6390 ( 2472 PWs) bands (ev): -31.9627 -31.9627 -31.9623 -31.9623 -13.0343 -13.0343 -13.0312 -13.0312 -11.7056 -11.7056 -11.6876 -11.6876 -11.4899 -11.4899 -11.4753 -11.4753 1.5913 1.5913 2.5068 2.5068 5.8499 5.8499 6.6878 6.6878 8.7305 8.7305 9.0018 9.0018 10.0606 10.0606 10.5453 10.5453 11.9782 11.9782 12.5962 12.5962 12.6685 12.6685 k =-0.5000 0.1993 0.6207 ( 2472 PWs) bands (ev): -31.9629 -31.9629 -31.9624 -31.9624 -13.0338 -13.0338 -13.0302 -13.0302 -11.7059 -11.7059 -11.6844 -11.6844 -11.4918 -11.4918 -11.4743 -11.4743 1.5034 1.5034 2.5939 2.5939 5.7913 5.7913 6.7854 6.7854 8.7169 8.7169 9.0442 9.0442 10.0158 10.0158 10.5966 10.5966 11.9220 11.9220 12.5605 12.5605 12.7466 12.7466 k =-0.5000 0.1993 0.6025 ( 2472 PWs) bands (ev): -31.9630 -31.9630 -31.9625 -31.9625 -13.0332 -13.0332 -13.0290 -13.0290 -11.7060 -11.7060 -11.6810 -11.6810 -11.4937 -11.4937 -11.4733 -11.4733 1.4170 1.4170 2.6779 2.6779 5.7400 5.7400 6.8839 6.8839 8.7054 8.7054 9.0897 9.0897 9.9721 9.9721 10.6484 10.6484 11.8687 11.8687 12.5263 12.5263 12.8261 12.8261 k =-0.5000 0.1993 0.5842 ( 2472 PWs) bands (ev): -31.9632 -31.9632 -31.9627 -31.9627 -13.0325 -13.0325 -13.0278 -13.0278 -11.7058 -11.7058 -11.6774 -11.6774 -11.4957 -11.4957 -11.4725 -11.4725 1.3322 1.3322 2.7581 2.7581 5.6969 5.6969 6.9827 6.9827 8.6957 8.6957 9.1383 9.1383 9.9296 9.9296 10.7007 10.7007 11.8184 11.8184 12.4931 12.4931 12.9064 12.9064 k =-0.5000 0.1993 0.5660 ( 2466 PWs) bands (ev): -31.9634 -31.9634 -31.9628 -31.9628 -13.0317 -13.0317 -13.0264 -13.0264 -11.7054 -11.7054 -11.6736 -11.6736 -11.4978 -11.4978 -11.4717 -11.4717 1.2493 1.2493 2.8335 2.8335 5.6628 5.6628 7.0814 7.0814 8.6878 8.6878 9.1900 9.1900 9.8885 9.8885 10.7535 10.7535 11.7712 11.7712 12.4602 12.4602 12.9875 12.9875 k =-0.5000 0.1993 0.5477 ( 2468 PWs) bands (ev): -31.9636 -31.9636 -31.9629 -31.9629 -13.0307 -13.0307 -13.0250 -13.0250 -11.7047 -11.7047 -11.6697 -11.6697 -11.4999 -11.4999 -11.4711 -11.4711 1.1683 1.1683 2.9033 2.9033 5.6388 5.6388 7.1795 7.1795 8.6816 8.6816 9.2448 9.2448 9.8490 9.8490 10.8067 10.8067 11.7273 11.7273 12.4270 12.4270 13.0691 13.0691 k =-0.5000 0.1993 0.5294 ( 2472 PWs) bands (ev): -31.9639 -31.9639 -31.9631 -31.9631 -13.0297 -13.0297 -13.0235 -13.0235 -11.7038 -11.7038 -11.6655 -11.6655 -11.5021 -11.5021 -11.4705 -11.4705 1.0894 1.0894 2.9665 2.9665 5.6258 5.6258 7.2766 7.2766 8.6769 8.6769 9.3029 9.3029 9.8114 9.8114 10.8604 10.8604 11.6869 11.6869 12.3925 12.3925 13.1507 13.1507 k =-0.5000 0.1993 0.5112 ( 2478 PWs) bands (ev): -31.9641 -31.9641 -31.9633 -31.9633 -13.0285 -13.0285 -13.0219 -13.0219 -11.7026 -11.7026 -11.6612 -11.6612 -11.5043 -11.5043 -11.4700 -11.4700 1.0125 1.0125 3.0225 3.0225 5.6247 5.6247 7.3721 7.3721 8.6736 8.6736 9.3641 9.3641 9.7759 9.7759 10.9144 10.9144 11.6499 11.6499 12.3561 12.3561 13.2258 13.2258 k =-0.5000 0.1993 0.4929 ( 2484 PWs) bands (ev): -31.9644 -31.9644 -31.9636 -31.9636 -13.0273 -13.0273 -13.0203 -13.0203 -11.7011 -11.7011 -11.6568 -11.6568 -11.5066 -11.5066 -11.4696 -11.4696 0.9378 0.9378 3.0705 3.0705 5.6361 5.6361 7.4654 7.4654 8.6714 8.6714 9.4284 9.4284 9.7427 9.7427 10.9686 10.9686 11.6166 11.6166 12.3176 12.3176 13.1680 13.1680 k =-0.5000 0.1993 0.4747 ( 2488 PWs) bands (ev): -31.9647 -31.9647 -31.9638 -31.9638 -13.0259 -13.0259 -13.0186 -13.0186 -11.6995 -11.6995 -11.6522 -11.6522 -11.5089 -11.5089 -11.4692 -11.4692 0.8653 0.8653 3.1100 3.1100 5.6606 5.6606 7.5560 7.5560 8.6703 8.6703 9.4959 9.4959 9.7122 9.7122 11.0227 11.0227 11.5870 11.5870 12.2768 12.2768 13.0804 13.0804 k =-0.5000 0.1993 0.4564 ( 2490 PWs) bands (ev): -31.9650 -31.9650 -31.9640 -31.9640 -13.0245 -13.0245 -13.0169 -13.0169 -11.6976 -11.6976 -11.6475 -11.6475 -11.5113 -11.5113 -11.4690 -11.4690 0.7952 0.7952 3.1410 3.1410 5.6983 5.6983 7.6433 7.6433 8.6702 8.6702 9.5661 9.5661 9.6850 9.6850 11.0766 11.0766 11.5612 11.5612 12.2341 12.2341 12.9837 12.9837 k =-0.5000 0.1993 0.4382 ( 2494 PWs) bands (ev): -31.9653 -31.9653 -31.9643 -31.9643 -13.0231 -13.0231 -13.0152 -13.0152 -11.6955 -11.6955 -11.6428 -11.6428 -11.5136 -11.5136 -11.4689 -11.4689 0.7274 0.7274 3.1634 3.1634 5.7492 5.7492 7.7265 7.7265 8.6707 8.6707 9.6333 9.6333 9.6671 9.6671 11.1297 11.1297 11.5394 11.5394 12.1904 12.1904 12.8825 12.8825 k =-0.5000 0.1993 0.4199 ( 2490 PWs) bands (ev): -31.9656 -31.9656 -31.9645 -31.9645 -13.0215 -13.0215 -13.0134 -13.0134 -11.6932 -11.6932 -11.6380 -11.6380 -11.5160 -11.5160 -11.4688 -11.4688 0.6620 0.6620 3.1779 3.1779 5.8129 5.8129 7.8052 7.8052 8.6720 8.6720 9.6336 9.6336 9.7225 9.7225 11.1814 11.1814 11.5215 11.5215 12.1469 12.1469 12.7796 12.7796 k =-0.5000 0.1993 0.4016 ( 2486 PWs) bands (ev): -31.9659 -31.9659 -31.9647 -31.9647 -13.0200 -13.0200 -13.0117 -13.0117 -11.6907 -11.6907 -11.6332 -11.6332 -11.5183 -11.5183 -11.4689 -11.4689 0.5991 0.5991 3.1848 3.1848 5.8888 5.8888 7.8786 7.8786 8.6737 8.6737 9.6163 9.6163 9.8020 9.8020 11.2309 11.2309 11.5077 11.5077 12.1048 12.1048 12.6773 12.6773 k =-0.5000 0.1993 0.3834 ( 2482 PWs) bands (ev): -31.9662 -31.9662 -31.9649 -31.9649 -13.0184 -13.0184 -13.0099 -13.0099 -11.6880 -11.6880 -11.6284 -11.6284 -11.5206 -11.5206 -11.4690 -11.4690 0.5388 0.5388 3.1851 3.1851 5.9760 5.9760 7.9462 7.9462 8.6757 8.6757 9.6014 9.6014 9.8857 9.8857 11.2768 11.2768 11.4979 11.4979 12.0655 12.0655 12.5776 12.5776 k =-0.5000 0.1993 0.3651 ( 2486 PWs) bands (ev): -31.9665 -31.9665 -31.9652 -31.9652 -13.0168 -13.0168 -13.0082 -13.0082 -11.6852 -11.6852 -11.6236 -11.6236 -11.5229 -11.5229 -11.4692 -11.4692 0.4809 0.4809 3.1798 3.1798 6.0737 6.0737 8.0077 8.0077 8.6780 8.6780 9.5894 9.5894 9.9729 9.9729 11.3174 11.3174 11.4922 11.4922 12.0306 12.0306 12.4826 12.4826 k =-0.5000 0.1993 0.3469 ( 2486 PWs) bands (ev): -31.9668 -31.9668 -31.9655 -31.9655 -13.0152 -13.0152 -13.0066 -13.0066 -11.6822 -11.6822 -11.6189 -11.6189 -11.5251 -11.5251 -11.4696 -11.4696 0.4256 0.4256 3.1696 3.1696 6.1809 6.1809 8.0626 8.0626 8.6804 8.6804 9.5803 9.5803 10.0634 10.0634 11.3500 11.3500 11.4903 11.4903 12.0011 12.0011 12.3948 12.3948 k =-0.5000 0.1993 0.3286 ( 2486 PWs) bands (ev): -31.9671 -31.9671 -31.9658 -31.9658 -13.0136 -13.0136 -13.0049 -13.0049 -11.6790 -11.6790 -11.6144 -11.6144 -11.5272 -11.5272 -11.4700 -11.4700 0.3730 0.3730 3.1555 3.1555 6.2967 6.2967 8.1108 8.1108 8.6829 8.6829 9.5737 9.5737 10.1572 10.1572 11.3712 11.3712 11.4919 11.4919 11.9782 11.9782 12.3178 12.3178 k =-0.5000 0.1993 0.3104 ( 2484 PWs) bands (ev): -31.9674 -31.9674 -31.9660 -31.9660 -13.0120 -13.0120 -13.0033 -13.0033 -11.6758 -11.6758 -11.6101 -11.6101 -11.5292 -11.5292 -11.4705 -11.4705 0.3230 0.3230 3.1384 3.1384 6.4202 6.4202 8.1525 8.1525 8.6854 8.6854 9.5692 9.5692 10.2542 10.2542 11.3768 11.3768 11.4966 11.4966 11.9628 11.9628 12.2557 12.2557 k =-0.5000 0.1993 0.2921 ( 2480 PWs) bands (ev): -31.9676 -31.9676 -31.9663 -31.9663 -13.0104 -13.0104 -13.0018 -13.0018 -11.6724 -11.6724 -11.6060 -11.6060 -11.5309 -11.5309 -11.4712 -11.4712 0.2758 0.2758 3.1191 3.1191 6.5505 6.5505 8.1877 8.1877 8.6877 8.6877 9.5663 9.5663 10.3544 10.3544 11.3620 11.3620 11.5042 11.5042 11.9553 11.9553 12.2127 12.2127 k =-0.5000 0.1993 0.2739 ( 2490 PWs) bands (ev): -31.9680 -31.9680 -31.9665 -31.9665 -13.0088 -13.0088 -13.0004 -13.0004 -11.6689 -11.6689 -11.6023 -11.6023 -11.5324 -11.5324 -11.4720 -11.4720 0.2312 0.2312 3.0983 3.0983 6.6869 6.6869 8.2169 8.2169 8.6899 8.6899 9.5643 9.5643 10.4577 10.4577 11.3233 11.3233 11.5153 11.5153 11.9563 11.9563 12.1907 12.1907 k =-0.5000 0.1993 0.2556 ( 2486 PWs) bands (ev): -31.9682 -31.9682 -31.9668 -31.9668 -13.0073 -13.0073 -12.9990 -12.9990 -11.6653 -11.6653 -11.5990 -11.5990 -11.5335 -11.5335 -11.4728 -11.4728 0.1894 0.1894 3.0766 3.0766 6.8287 6.8287 8.2406 8.2406 8.6919 8.6919 9.5626 9.5626 10.5640 10.5640 11.2609 11.2609 11.5299 11.5299 11.9658 11.9658 12.1884 12.1884 k =-0.5000 0.1993 0.2373 ( 2488 PWs) bands (ev): -31.9685 -31.9685 -31.9670 -31.9670 -13.0059 -13.0059 -12.9977 -12.9977 -11.6616 -11.6616 -11.5963 -11.5963 -11.5342 -11.5342 -11.4738 -11.4738 0.1503 0.1503 3.0546 3.0546 6.9751 6.9751 8.2595 8.2595 8.6937 8.6937 9.5608 9.5608 10.6729 10.6729 11.1782 11.1782 11.5476 11.5476 11.9838 11.9838 12.2014 12.2014 k =-0.5000 0.1993 0.2191 ( 2496 PWs) bands (ev): -31.9687 -31.9687 -31.9673 -31.9673 -13.0045 -13.0045 -12.9965 -12.9965 -11.6579 -11.6579 -11.5942 -11.5942 -11.5344 -11.5344 -11.4749 -11.4749 0.1141 0.1141 3.0327 3.0327 7.1257 7.1257 8.2741 8.2741 8.6953 8.6953 9.5586 9.5586 10.7833 10.7833 11.0803 11.0803 11.5679 11.5679 12.0097 12.0097 12.2247 12.2247 k =-0.5000 0.1993 0.2008 ( 2500 PWs) bands (ev): -31.9690 -31.9690 -31.9675 -31.9675 -13.0032 -13.0032 -12.9953 -12.9953 -11.6541 -11.6541 -11.5929 -11.5929 -11.5341 -11.5341 -11.4761 -11.4761 0.0806 0.0806 3.0113 3.0113 7.2797 7.2797 8.2852 8.2852 8.6967 8.6967 9.5556 9.5556 10.8824 10.8824 10.9836 10.9836 11.5904 11.5904 12.0427 12.0427 12.2533 12.2533 k =-0.5000 0.1993 0.1826 ( 2490 PWs) bands (ev): -31.9692 -31.9692 -31.9677 -31.9677 -13.0019 -13.0019 -12.9943 -12.9943 -11.6503 -11.6503 -11.5922 -11.5922 -11.5332 -11.5332 -11.4774 -11.4774 0.0501 0.0501 2.9908 2.9908 7.4366 7.4366 8.2933 8.2933 8.6979 8.6979 9.5519 9.5519 10.8272 10.8272 11.0340 11.0340 11.6145 11.6145 12.0817 12.0817 12.2832 12.2832 k =-0.5000 0.1993 0.1643 ( 2486 PWs) bands (ev): -31.9694 -31.9694 -31.9678 -31.9678 -13.0008 -13.0008 -12.9934 -12.9934 -11.6465 -11.6465 -11.5923 -11.5923 -11.5319 -11.5319 -11.4788 -11.4788 0.0223 0.0223 2.9715 2.9715 7.5957 7.5957 8.2992 8.2992 8.6989 8.6989 9.5475 9.5475 10.7001 10.7001 11.1511 11.1511 11.6396 11.6396 12.1255 12.1255 12.3108 12.3108 k =-0.5000 0.1993 0.1461 ( 2486 PWs) bands (ev): -31.9695 -31.9695 -31.9680 -31.9680 -12.9997 -12.9997 -12.9925 -12.9925 -11.6426 -11.6426 -11.5930 -11.5930 -11.5301 -11.5301 -11.4803 -11.4803 -0.0025 -0.0025 2.9537 2.9537 7.7563 7.7563 8.3034 8.3034 8.6998 8.6998 9.5425 9.5425 10.5629 10.5629 11.2746 11.2746 11.6651 11.6651 12.1724 12.1724 12.3337 12.3337 k =-0.5000 0.1993 0.1278 ( 2482 PWs) bands (ev): -31.9697 -31.9697 -31.9681 -31.9681 -12.9987 -12.9987 -12.9918 -12.9918 -11.6388 -11.6388 -11.5943 -11.5943 -11.5279 -11.5279 -11.4819 -11.4819 -0.0245 -0.0245 2.9374 2.9374 7.9173 7.9173 8.3067 8.3067 8.7004 8.7004 9.5372 9.5372 10.4199 10.4199 11.4019 11.4019 11.6903 11.6903 12.2206 12.2206 12.3503 12.3503 k =-0.5000 0.1993 0.1095 ( 2484 PWs) bands (ev): -31.9698 -31.9698 -31.9683 -31.9683 -12.9979 -12.9979 -12.9911 -12.9911 -11.6350 -11.6350 -11.5960 -11.5960 -11.5256 -11.5256 -11.4836 -11.4836 -0.0436 -0.0436 2.9231 2.9231 8.0765 8.0765 8.3104 8.3104 8.7010 8.7010 9.5319 9.5319 10.2733 10.2733 11.5321 11.5321 11.7145 11.7145 12.2682 12.2682 12.3603 12.3603 k =-0.5000 0.1993 0.0913 ( 2480 PWs) bands (ev): -31.9699 -31.9699 -31.9684 -31.9684 -12.9972 -12.9972 -12.9906 -12.9906 -11.6312 -11.6312 -11.5982 -11.5982 -11.5233 -11.5233 -11.4852 -11.4852 -0.0598 -0.0598 2.9106 2.9106 8.2247 8.2247 8.3229 8.3229 8.7014 8.7014 9.5269 9.5269 10.1252 10.1252 11.6648 11.6648 11.7373 11.7373 12.3125 12.3125 12.3653 12.3653 k =-0.5000 0.1993 0.0730 ( 2480 PWs) bands (ev): -31.9700 -31.9700 -31.9685 -31.9685 -12.9965 -12.9965 -12.9902 -12.9902 -11.6274 -11.6274 -11.6007 -11.6007 -11.5210 -11.5210 -11.4868 -11.4868 -0.0730 -0.0730 2.9003 2.9003 8.2908 8.2908 8.4129 8.4129 8.7018 8.7018 9.5224 9.5224 9.9783 9.9783 11.7544 11.7544 11.8031 11.8031 12.3467 12.3467 12.3718 12.3718 k =-0.5000 0.1993 0.0548 ( 2480 PWs) bands (ev): -31.9701 -31.9701 -31.9685 -31.9685 -12.9961 -12.9961 -12.9898 -12.9898 -11.6237 -11.6237 -11.6035 -11.6035 -11.5189 -11.5189 -11.4883 -11.4883 -0.0833 -0.0833 2.8922 2.8922 8.2982 8.2982 8.5531 8.5531 8.7022 8.7022 9.5186 9.5186 9.8372 9.8372 11.7716 11.7716 11.9405 11.9405 12.3548 12.3548 12.3957 12.3957 k =-0.5000 0.1993 0.0365 ( 2476 PWs) bands (ev): -31.9702 -31.9702 -31.9685 -31.9685 -12.9957 -12.9957 -12.9896 -12.9896 -11.6201 -11.6201 -11.6064 -11.6064 -11.5173 -11.5173 -11.4895 -11.4895 -0.0907 -0.0907 2.8864 2.8864 8.2999 8.2999 8.6798 8.6798 8.7051 8.7051 9.5158 9.5158 9.7104 9.7104 11.7839 11.7839 12.0806 12.0806 12.3532 12.3532 12.4203 12.4203 k =-0.5000 0.1993 0.0183 ( 2476 PWs) bands (ev): -31.9702 -31.9702 -31.9686 -31.9686 -12.9955 -12.9955 -12.9894 -12.9894 -11.6167 -11.6167 -11.6095 -11.6095 -11.5161 -11.5161 -11.4903 -11.4903 -0.0951 -0.0951 2.8828 2.8828 8.3005 8.3005 8.7010 8.7010 8.7817 8.7817 9.5142 9.5142 9.6146 9.6146 11.7914 11.7914 12.2205 12.2205 12.3520 12.3520 12.4362 12.4362 k =-0.5000 0.1993 0.0000 ( 2480 PWs) bands (ev): -31.9703 -31.9703 -31.9686 -31.9686 -12.9954 -12.9954 -12.9894 -12.9894 -11.6143 -11.6143 -11.6118 -11.6118 -11.5158 -11.5158 -11.4906 -11.4906 -0.0965 -0.0965 2.8817 2.8817 8.3006 8.3006 8.7013 8.7013 8.8196 8.8196 9.5139 9.5139 9.5769 9.5769 11.7939 11.7939 12.3191 12.3191 12.3636 12.3636 12.4156 12.4156 k = 0.0000 0.0000 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0203 -13.0203 -13.0203 -13.0203 -11.6276 -11.6276 -11.6276 -11.6276 -11.5676 -11.5676 -11.5676 -11.5676 1.7815 1.7815 1.7815 1.7815 7.2863 7.2863 7.2863 7.2863 8.4130 8.4130 8.4130 8.4130 9.3262 9.3262 9.3262 9.3262 13.2154 13.2154 13.2154 13.2154 14.1619 14.1619 k =-0.0167 0.0066 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0203 -13.0203 -13.0203 -13.0203 -11.6281 -11.6281 -11.6281 -11.6281 -11.5671 -11.5671 -11.5671 -11.5671 1.7821 1.7821 1.7821 1.7821 7.2827 7.2827 7.2827 7.2827 8.4140 8.4140 8.4140 8.4140 9.3289 9.3289 9.3289 9.3289 13.2186 13.2186 13.2186 13.2186 14.1527 14.1527 k =-0.0333 0.0133 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0204 -13.0204 -13.0204 -13.0204 -11.6295 -11.6295 -11.6295 -11.6295 -11.5655 -11.5655 -11.5655 -11.5655 1.7841 1.7841 1.7841 1.7841 7.2720 7.2720 7.2720 7.2720 8.4168 8.4168 8.4168 8.4168 9.3367 9.3367 9.3367 9.3367 13.2282 13.2282 13.2282 13.2282 14.1256 14.1256 k =-0.0500 0.0199 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0206 -13.0206 -13.0206 -13.0206 -11.6316 -11.6316 -11.6316 -11.6316 -11.5632 -11.5632 -11.5632 -11.5632 1.7873 1.7873 1.7873 1.7873 7.2543 7.2543 7.2543 7.2543 8.4215 8.4215 8.4215 8.4215 9.3496 9.3496 9.3496 9.3496 13.2439 13.2439 13.2439 13.2439 14.0824 14.0824 k =-0.0667 0.0266 0.7303 ( 2490 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0209 -13.0209 -13.0209 -13.0209 -11.6344 -11.6344 -11.6344 -11.6344 -11.5602 -11.5602 -11.5602 -11.5602 1.7918 1.7918 1.7918 1.7918 7.2302 7.2302 7.2302 7.2302 8.4281 8.4281 8.4281 8.4281 9.3673 9.3673 9.3673 9.3673 13.2653 13.2653 13.2653 13.2653 14.0254 14.0254 k =-0.0833 0.0332 0.7303 ( 2486 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0212 -13.0212 -13.0212 -13.0212 -11.6376 -11.6376 -11.6376 -11.6376 -11.5566 -11.5566 -11.5566 -11.5566 1.7975 1.7975 1.7975 1.7975 7.2001 7.2001 7.2001 7.2001 8.4364 8.4364 8.4364 8.4364 9.3896 9.3896 9.3896 9.3896 13.2918 13.2918 13.2918 13.2918 13.9570 13.9570 k =-0.1000 0.0399 0.7303 ( 2486 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0216 -13.0216 -13.0216 -13.0216 -11.6412 -11.6412 -11.6412 -11.6412 -11.5527 -11.5527 -11.5527 -11.5527 1.8044 1.8044 1.8044 1.8044 7.1645 7.1645 7.1645 7.1645 8.4466 8.4466 8.4466 8.4466 9.4159 9.4159 9.4159 9.4159 13.3227 13.3227 13.3227 13.3227 13.8798 13.8798 k =-0.1167 0.0465 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0221 -13.0221 -13.0221 -13.0221 -11.6449 -11.6449 -11.6449 -11.6449 -11.5485 -11.5485 -11.5485 -11.5485 1.8124 1.8124 1.8124 1.8124 7.1242 7.1242 7.1242 7.1242 8.4584 8.4584 8.4584 8.4584 9.4460 9.4460 9.4460 9.4460 13.3570 13.3570 13.3570 13.3570 13.7959 13.7959 k =-0.1333 0.0531 0.7303 ( 2482 PWs) bands (ev): -31.9624 -31.9624 -31.9624 -31.9624 -13.0226 -13.0226 -13.0226 -13.0226 -11.6487 -11.6487 -11.6487 -11.6487 -11.5442 -11.5442 -11.5442 -11.5442 1.8214 1.8214 1.8214 1.8214 7.0799 7.0799 7.0799 7.0799 8.4718 8.4718 8.4718 8.4718 9.4794 9.4794 9.4794 9.4794 13.3933 13.3933 13.3933 13.3933 13.7074 13.7074 k =-0.1500 0.0598 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0232 -13.0232 -13.0232 -13.0232 -11.6525 -11.6525 -11.6525 -11.6525 -11.5398 -11.5398 -11.5398 -11.5398 1.8314 1.8314 1.8314 1.8314 7.0321 7.0321 7.0321 7.0321 8.4868 8.4868 8.4868 8.4868 9.5158 9.5158 9.5158 9.5158 13.4299 13.4299 13.4299 13.4299 13.6160 13.6160 k =-0.1667 0.0664 0.7303 ( 2482 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0239 -13.0239 -13.0239 -13.0239 -11.6564 -11.6564 -11.6564 -11.6564 -11.5353 -11.5353 -11.5353 -11.5353 1.8424 1.8424 1.8424 1.8424 6.9817 6.9817 6.9817 6.9817 8.5032 8.5032 8.5032 8.5032 9.5549 9.5549 9.5549 9.5549 13.4628 13.4628 13.4628 13.4628 13.5247 13.5247 k =-0.1833 0.0731 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0245 -13.0245 -13.0245 -13.0245 -11.6602 -11.6602 -11.6602 -11.6602 -11.5309 -11.5309 -11.5309 -11.5309 1.8541 1.8541 1.8541 1.8541 6.9293 6.9293 6.9293 6.9293 8.5209 8.5209 8.5209 8.5209 9.5962 9.5962 9.5962 9.5962 13.4237 13.4237 13.4237 13.4237 13.5003 13.5003 k =-0.2000 0.0797 0.7303 ( 2476 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0252 -13.0252 -13.0252 -13.0252 -11.6639 -11.6639 -11.6639 -11.6639 -11.5265 -11.5265 -11.5265 -11.5265 1.8665 1.8665 1.8665 1.8665 6.8754 6.8754 6.8754 6.8754 8.5397 8.5397 8.5397 8.5397 9.6395 9.6395 9.6395 9.6395 13.3310 13.3310 13.3310 13.3310 13.5219 13.5219 k =-0.2167 0.0864 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0259 -13.0259 -13.0259 -13.0259 -11.6675 -11.6675 -11.6675 -11.6675 -11.5222 -11.5222 -11.5222 -11.5222 1.8795 1.8795 1.8795 1.8795 6.8208 6.8208 6.8208 6.8208 8.5596 8.5596 8.5596 8.5596 9.6844 9.6844 9.6844 9.6844 13.2380 13.2380 13.2380 13.2380 13.5336 13.5336 k =-0.2333 0.0930 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0267 -13.0267 -13.0267 -13.0267 -11.6709 -11.6709 -11.6709 -11.6709 -11.5181 -11.5181 -11.5181 -11.5181 1.8930 1.8930 1.8930 1.8930 6.7660 6.7660 6.7660 6.7660 8.5803 8.5803 8.5803 8.5803 9.7307 9.7307 9.7307 9.7307 13.1464 13.1464 13.1464 13.1464 13.5308 13.5308 k =-0.2500 0.0996 0.7303 ( 2476 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0274 -13.0274 -13.0274 -13.0274 -11.6742 -11.6742 -11.6742 -11.6742 -11.5140 -11.5140 -11.5140 -11.5140 1.9067 1.9067 1.9067 1.9067 6.7116 6.7116 6.7116 6.7116 8.6017 8.6017 8.6017 8.6017 9.7779 9.7779 9.7779 9.7779 13.0569 13.0569 13.0569 13.0569 13.5116 13.5116 k =-0.2667 0.1063 0.7303 ( 2472 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0282 -13.0282 -13.0282 -13.0282 -11.6774 -11.6774 -11.6774 -11.6774 -11.5102 -11.5102 -11.5102 -11.5102 1.9207 1.9207 1.9207 1.9207 6.6580 6.6580 6.6580 6.6580 8.6235 8.6235 8.6235 8.6235 9.8258 9.8258 9.8258 9.8258 12.9702 12.9702 12.9702 12.9702 13.4764 13.4764 k =-0.2833 0.1129 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0289 -13.0289 -13.0289 -13.0289 -11.6804 -11.6804 -11.6804 -11.6804 -11.5065 -11.5065 -11.5065 -11.5065 1.9346 1.9346 1.9346 1.9346 6.6058 6.6058 6.6058 6.6058 8.6456 8.6456 8.6456 8.6456 9.8740 9.8740 9.8740 9.8740 12.8868 12.8868 12.8868 12.8868 13.4278 13.4278 k =-0.3000 0.1196 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0296 -13.0296 -13.0296 -13.0296 -11.6831 -11.6831 -11.6831 -11.6831 -11.5030 -11.5030 -11.5030 -11.5030 1.9485 1.9485 1.9485 1.9485 6.5555 6.5555 6.5555 6.5555 8.6676 8.6676 8.6676 8.6676 9.9221 9.9221 9.9221 9.9221 12.8071 12.8071 12.8071 12.8071 13.3697 13.3697 k =-0.3167 0.1262 0.7303 ( 2474 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0303 -13.0303 -13.0303 -13.0303 -11.6857 -11.6857 -11.6857 -11.6857 -11.4997 -11.4997 -11.4997 -11.4997 1.9620 1.9620 1.9620 1.9620 6.5074 6.5074 6.5074 6.5074 8.6894 8.6894 8.6894 8.6894 9.9698 9.9698 9.9698 9.9698 12.7318 12.7318 12.7318 12.7318 13.3056 13.3056 k =-0.3333 0.1328 0.7303 ( 2470 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0310 -13.0310 -13.0310 -13.0310 -11.6881 -11.6881 -11.6881 -11.6881 -11.4967 -11.4967 -11.4967 -11.4967 1.9751 1.9751 1.9751 1.9751 6.4621 6.4621 6.4621 6.4621 8.7106 8.7106 8.7106 8.7106 10.0164 10.0164 10.0164 10.0164 12.6612 12.6612 12.6612 12.6612 13.2388 13.2388 k =-0.3500 0.1395 0.7303 ( 2474 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0316 -13.0316 -13.0316 -13.0316 -11.6903 -11.6903 -11.6903 -11.6903 -11.4939 -11.4939 -11.4939 -11.4939 1.9875 1.9875 1.9875 1.9875 6.4198 6.4198 6.4198 6.4198 8.7310 8.7310 8.7310 8.7310 10.0616 10.0616 10.0616 10.0616 12.5957 12.5957 12.5957 12.5957 13.1718 13.1718 k =-0.3667 0.1461 0.7303 ( 2474 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0322 -13.0322 -13.0322 -13.0322 -11.6923 -11.6923 -11.6923 -11.6923 -11.4914 -11.4914 -11.4914 -11.4914 1.9992 1.9992 1.9992 1.9992 6.3810 6.3810 6.3810 6.3810 8.7503 8.7503 8.7503 8.7503 10.1047 10.1047 10.1047 10.1047 12.5357 12.5357 12.5357 12.5357 13.1067 13.1067 k =-0.3833 0.1528 0.7303 ( 2474 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0327 -13.0327 -13.0327 -13.0327 -11.6940 -11.6940 -11.6940 -11.6940 -11.4891 -11.4891 -11.4891 -11.4891 2.0099 2.0099 2.0099 2.0099 6.3459 6.3459 6.3459 6.3459 8.7682 8.7682 8.7682 8.7682 10.1450 10.1450 10.1450 10.1450 12.4818 12.4818 12.4818 12.4818 13.0453 13.0453 k =-0.4000 0.1594 0.7303 ( 2478 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0331 -13.0331 -13.0331 -13.0331 -11.6956 -11.6956 -11.6956 -11.6956 -11.4871 -11.4871 -11.4871 -11.4871 2.0196 2.0196 2.0196 2.0196 6.3149 6.3149 6.3149 6.3149 8.7845 8.7845 8.7845 8.7845 10.1820 10.1820 10.1820 10.1820 12.4341 12.4341 12.4341 12.4341 12.9889 12.9889 k =-0.4167 0.1661 0.7303 ( 2486 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0336 -13.0336 -13.0336 -13.0336 -11.6968 -11.6968 -11.6968 -11.6968 -11.4855 -11.4855 -11.4855 -11.4855 2.0280 2.0280 2.0280 2.0280 6.2881 6.2881 6.2881 6.2881 8.7987 8.7987 8.7987 8.7987 10.2149 10.2149 10.2149 10.2149 12.3931 12.3931 12.3931 12.3931 12.9388 12.9388 k =-0.4333 0.1727 0.7303 ( 2490 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0339 -13.0339 -13.0339 -13.0339 -11.6979 -11.6979 -11.6979 -11.6979 -11.4841 -11.4841 -11.4841 -11.4841 2.0351 2.0351 2.0351 2.0351 6.2660 6.2660 6.2660 6.2660 8.8108 8.8108 8.8108 8.8108 10.2431 10.2431 10.2431 10.2431 12.3592 12.3592 12.3592 12.3592 12.8961 12.8961 k =-0.4500 0.1793 0.7303 ( 2486 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0342 -13.0342 -13.0342 -13.0342 -11.6987 -11.6987 -11.6987 -11.6987 -11.4830 -11.4830 -11.4830 -11.4830 2.0407 2.0407 2.0407 2.0407 6.2485 6.2485 6.2485 6.2485 8.8204 8.8204 8.8204 8.8204 10.2658 10.2658 10.2658 10.2658 12.3324 12.3324 12.3324 12.3324 12.8619 12.8619 k =-0.4667 0.1860 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0343 -13.0343 -13.0343 -13.0343 -11.6993 -11.6993 -11.6993 -11.6993 -11.4822 -11.4822 -11.4822 -11.4822 2.0448 2.0448 2.0448 2.0448 6.2359 6.2359 6.2359 6.2359 8.8274 8.8274 8.8274 8.8274 10.2825 10.2825 10.2825 10.2825 12.3132 12.3132 12.3132 12.3132 12.8368 12.8368 k =-0.4833 0.1926 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0345 -13.0345 -13.0345 -13.0345 -11.6997 -11.6997 -11.6997 -11.6997 -11.4817 -11.4817 -11.4817 -11.4817 2.0472 2.0472 2.0472 2.0472 6.2283 6.2283 6.2283 6.2283 8.8317 8.8317 8.8317 8.8317 10.2927 10.2927 10.2927 10.2927 12.3015 12.3015 12.3015 12.3015 12.8215 12.8215 k =-0.5000 0.1993 0.7303 ( 2480 PWs) bands (ev): -31.9623 -31.9623 -31.9623 -31.9623 -13.0345 -13.0345 -13.0345 -13.0345 -11.6998 -11.6998 -11.6998 -11.6998 -11.4816 -11.4816 -11.4816 -11.4816 2.0481 2.0481 2.0481 2.0481 6.2258 6.2258 6.2258 6.2258 8.8331 8.8331 8.8331 8.8331 10.2962 10.2962 10.2962 10.2962 12.2977 12.2977 12.2977 12.2977 12.8164 12.8164 Writing output data file YGe.save init_run : 2.88s CPU 13.11s WALL ( 1 calls) electrons : 492.87s CPU 498.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.61s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 492.85s CPU 498.68s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.76s WALL ( 1 calls) v_h : 0.05s CPU 0.09s WALL ( 1 calls) v_xc : 0.15s CPU 0.52s WALL ( 1 calls) newd : 0.33s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.11s WALL ( 414 calls) cegterg : 426.17s CPU 429.29s WALL ( 1213 calls) Called by sum_band: Called by *egterg: h_psi : 193.29s CPU 202.99s WALL ( 21368 calls) s_psi : 16.07s CPU 16.84s WALL ( 21368 calls) g_psi : 0.24s CPU 0.37s WALL ( 19741 calls) cdiaghg : 169.34s CPU 164.33s WALL ( 20155 calls) cegterg:over : 31.17s CPU 27.49s WALL ( 19741 calls) cegterg:upda : 2.59s CPU 6.17s WALL ( 19741 calls) cegterg:last : 2.84s CPU 3.77s WALL ( 2461 calls) Called by h_psi: h_psi:vloc : 159.37s CPU 168.72s WALL ( 21368 calls) h_psi:vnl : 33.79s CPU 33.84s WALL ( 21368 calls) add_vuspsi : 9.00s CPU 12.98s WALL ( 21368 calls) General routines calbec : 24.73s CPU 20.65s WALL ( 21368 calls) fft : 0.54s CPU 1.69s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 152.67s CPU 159.19s WALL ( 1191840 calls) interpolate : 0.18s CPU 0.19s WALL ( 4 calls) davcio : 0.02s CPU 1.65s WALL ( 828 calls) Parallel routines fft_scatter : 91.91s CPU 95.78s WALL ( 1191863 calls) PWSCF : 8m55.46s CPU 10m49.23s WALL This run was terminated on: 7:17:54 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=