Program PWSCF v.5.1.1 starts on 3Jun2016 at 17:27:38 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: ./KNbO3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 18 5 896 404 67 Max 31 19 6 903 417 72 Sum 1481 877 261 43187 19685 3295 bravais-lattice index = 14 lattice parameter (alat) = 7.5532 a.u. unit-cell volume = 438.0378 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.553235 celldm(2)= 1.000000 celldm(3)= 1.016512 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.016512 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.983756 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) K 9.00 39.09830 K( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_4v (4mm) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2s_v 2s_d -C2 -2s_v -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C4 3 4 2s_v-2s_v 5 -5 6 -6 2s_d-2s_d 7 -7 -8 8 -E -1 -2C4 -3 -4 Cartesian axes number of k points= 398 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0025126 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0025126 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0025126 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0025126 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0025126 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0025126 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025126 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0025126 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025126 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0025126 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0025126 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0025126 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0025126 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025126 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0025126 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0025126 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0025126 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025126 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0025126 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0025126 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0025126 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025126 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0025126 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0025126 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0025126 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0025126 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0025126 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0025126 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025126 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0025126 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0025126 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0025126 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0025126 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0025126 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0025126 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0025126 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0025126 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0025126 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0025126 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0025126 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0025126 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0025126 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0025126 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0025126 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0025126 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0025126 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0025126 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0025126 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0025126 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0025126 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0025126 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025126 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0025126 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0025126 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0025126 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0025126 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0025126 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0025126 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025126 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0025126 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0025126 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0025126 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0025126 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0025126 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0025126 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025126 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0025126 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0025126 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0025126 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0025126 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025126 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0025126 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025126 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0025126 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0025126 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0025126 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0025126 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0025126 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0025126 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025126 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0025126 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0025126 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0025126 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0025126 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0025126 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0025126 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 141) = ( 0.0000000 0.0000000 0.0126123), wk = 0.0025126 k( 142) = ( 0.0000000 0.0000000 0.0252245), wk = 0.0025126 k( 143) = ( 0.0000000 0.0000000 0.0378368), wk = 0.0025126 k( 144) = ( 0.0000000 0.0000000 0.0504490), wk = 0.0025126 k( 145) = ( 0.0000000 0.0000000 0.0630613), wk = 0.0025126 k( 146) = ( 0.0000000 0.0000000 0.0756735), wk = 0.0025126 k( 147) = ( 0.0000000 0.0000000 0.0882858), wk = 0.0025126 k( 148) = ( 0.0000000 0.0000000 0.1008980), wk = 0.0025126 k( 149) = ( 0.0000000 0.0000000 0.1135103), wk = 0.0025126 k( 150) = ( 0.0000000 0.0000000 0.1261225), wk = 0.0025126 k( 151) = ( 0.0000000 0.0000000 0.1387348), wk = 0.0025126 k( 152) = ( 0.0000000 0.0000000 0.1513470), wk = 0.0025126 k( 153) = ( 0.0000000 0.0000000 0.1639593), wk = 0.0025126 k( 154) = ( 0.0000000 0.0000000 0.1765716), wk = 0.0025126 k( 155) = ( 0.0000000 0.0000000 0.1891838), wk = 0.0025126 k( 156) = ( 0.0000000 0.0000000 0.2017961), wk = 0.0025126 k( 157) = ( 0.0000000 0.0000000 0.2144083), wk = 0.0025126 k( 158) = ( 0.0000000 0.0000000 0.2270206), wk = 0.0025126 k( 159) = ( 0.0000000 0.0000000 0.2396328), wk = 0.0025126 k( 160) = ( 0.0000000 0.0000000 0.2522451), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.2648573), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.2774696), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.2900818), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.3026941), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.3153064), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.3279186), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.3405309), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.3531431), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3657554), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3783676), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3909799), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4035921), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4162044), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4288167), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.4414289), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.4540412), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.4666534), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.4792657), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.4918779), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.4918779), wk = 0.0025126 k( 181) = ( 0.0000000 0.0125000 0.4918779), wk = 0.0025126 k( 182) = ( 0.0000000 0.0250000 0.4918779), wk = 0.0025126 k( 183) = ( 0.0000000 0.0375000 0.4918779), wk = 0.0025126 k( 184) = ( 0.0000000 0.0500000 0.4918779), wk = 0.0025126 k( 185) = ( 0.0000000 0.0625000 0.4918779), wk = 0.0025126 k( 186) = ( 0.0000000 0.0750000 0.4918779), wk = 0.0025126 k( 187) = ( 0.0000000 0.0875000 0.4918779), wk = 0.0025126 k( 188) = ( 0.0000000 0.1000000 0.4918779), wk = 0.0025126 k( 189) = ( 0.0000000 0.1125000 0.4918779), wk = 0.0025126 k( 190) = ( 0.0000000 0.1250000 0.4918779), wk = 0.0025126 k( 191) = ( 0.0000000 0.1375000 0.4918779), wk = 0.0025126 k( 192) = ( 0.0000000 0.1500000 0.4918779), wk = 0.0025126 k( 193) = ( 0.0000000 0.1625000 0.4918779), wk = 0.0025126 k( 194) = ( 0.0000000 0.1750000 0.4918779), wk = 0.0025126 k( 195) = ( 0.0000000 0.1875000 0.4918779), wk = 0.0025126 k( 196) = ( 0.0000000 0.2000000 0.4918779), wk = 0.0025126 k( 197) = ( 0.0000000 0.2125000 0.4918779), wk = 0.0025126 k( 198) = ( 0.0000000 0.2250000 0.4918779), wk = 0.0025126 k( 199) = ( 0.0000000 0.2375000 0.4918779), wk = 0.0025126 k( 200) = ( 0.0000000 0.2500000 0.4918779), wk = 0.0025126 k( 201) = ( 0.0000000 0.2625000 0.4918779), wk = 0.0025126 k( 202) = ( 0.0000000 0.2750000 0.4918779), wk = 0.0025126 k( 203) = ( 0.0000000 0.2875000 0.4918779), wk = 0.0025126 k( 204) = ( 0.0000000 0.3000000 0.4918779), wk = 0.0025126 k( 205) = ( 0.0000000 0.3125000 0.4918779), wk = 0.0025126 k( 206) = ( 0.0000000 0.3250000 0.4918779), wk = 0.0025126 k( 207) = ( 0.0000000 0.3375000 0.4918779), wk = 0.0025126 k( 208) = ( 0.0000000 0.3500000 0.4918779), wk = 0.0025126 k( 209) = ( 0.0000000 0.3625000 0.4918779), wk = 0.0025126 k( 210) = ( 0.0000000 0.3750000 0.4918779), wk = 0.0025126 k( 211) = ( 0.0000000 0.3875000 0.4918779), wk = 0.0025126 k( 212) = ( 0.0000000 0.4000000 0.4918779), wk = 0.0025126 k( 213) = ( 0.0000000 0.4125000 0.4918779), wk = 0.0025126 k( 214) = ( 0.0000000 0.4250000 0.4918779), wk = 0.0025126 k( 215) = ( 0.0000000 0.4375000 0.4918779), wk = 0.0025126 k( 216) = ( 0.0000000 0.4500000 0.4918779), wk = 0.0025126 k( 217) = ( 0.0000000 0.4625000 0.4918779), wk = 0.0025126 k( 218) = ( 0.0000000 0.4750000 0.4918779), wk = 0.0025126 k( 219) = ( 0.0000000 0.4875000 0.4918779), wk = 0.0025126 k( 220) = ( 0.0000000 0.5000000 0.4918779), wk = 0.0025126 k( 221) = ( 0.0000000 0.5000000 0.4918779), wk = 0.0025126 k( 222) = ( 0.0125000 0.5000000 0.4918779), wk = 0.0025126 k( 223) = ( 0.0250000 0.5000000 0.4918779), wk = 0.0025126 k( 224) = ( 0.0375000 0.5000000 0.4918779), wk = 0.0025126 k( 225) = ( 0.0500000 0.5000000 0.4918779), wk = 0.0025126 k( 226) = ( 0.0625000 0.5000000 0.4918779), wk = 0.0025126 k( 227) = ( 0.0750000 0.5000000 0.4918779), wk = 0.0025126 k( 228) = ( 0.0875000 0.5000000 0.4918779), wk = 0.0025126 k( 229) = ( 0.1000000 0.5000000 0.4918779), wk = 0.0025126 k( 230) = ( 0.1125000 0.5000000 0.4918779), wk = 0.0025126 k( 231) = ( 0.1250000 0.5000000 0.4918779), wk = 0.0025126 k( 232) = ( 0.1375000 0.5000000 0.4918779), wk = 0.0025126 k( 233) = ( 0.1500000 0.5000000 0.4918779), wk = 0.0025126 k( 234) = ( 0.1625000 0.5000000 0.4918779), wk = 0.0025126 k( 235) = ( 0.1750000 0.5000000 0.4918779), wk = 0.0025126 k( 236) = ( 0.1875000 0.5000000 0.4918779), wk = 0.0025126 k( 237) = ( 0.2000000 0.5000000 0.4918779), wk = 0.0025126 k( 238) = ( 0.2125000 0.5000000 0.4918779), wk = 0.0025126 k( 239) = ( 0.2250000 0.5000000 0.4918779), wk = 0.0025126 k( 240) = ( 0.2375000 0.5000000 0.4918779), wk = 0.0025126 k( 241) = ( 0.2500000 0.5000000 0.4918779), wk = 0.0025126 k( 242) = ( 0.2625000 0.5000000 0.4918779), wk = 0.0025126 k( 243) = ( 0.2750000 0.5000000 0.4918779), wk = 0.0025126 k( 244) = ( 0.2875000 0.5000000 0.4918779), wk = 0.0025126 k( 245) = ( 0.3000000 0.5000000 0.4918779), wk = 0.0025126 k( 246) = ( 0.3125000 0.5000000 0.4918779), wk = 0.0025126 k( 247) = ( 0.3250000 0.5000000 0.4918779), wk = 0.0025126 k( 248) = ( 0.3375000 0.5000000 0.4918779), wk = 0.0025126 k( 249) = ( 0.3500000 0.5000000 0.4918779), wk = 0.0025126 k( 250) = ( 0.3625000 0.5000000 0.4918779), wk = 0.0025126 k( 251) = ( 0.3750000 0.5000000 0.4918779), wk = 0.0025126 k( 252) = ( 0.3875000 0.5000000 0.4918779), wk = 0.0025126 k( 253) = ( 0.4000000 0.5000000 0.4918779), wk = 0.0025126 k( 254) = ( 0.4125000 0.5000000 0.4918779), wk = 0.0025126 k( 255) = ( 0.4250000 0.5000000 0.4918779), wk = 0.0025126 k( 256) = ( 0.4375000 0.5000000 0.4918779), wk = 0.0025126 k( 257) = ( 0.4500000 0.5000000 0.4918779), wk = 0.0025126 k( 258) = ( 0.4625000 0.5000000 0.4918779), wk = 0.0025126 k( 259) = ( 0.4750000 0.5000000 0.4918779), wk = 0.0025126 k( 260) = ( 0.4875000 0.5000000 0.4918779), wk = 0.0025126 k( 261) = ( 0.5000000 0.5000000 0.4918779), wk = 0.0025126 k( 262) = ( 0.5000000 0.5000000 0.4918779), wk = 0.0025126 k( 263) = ( 0.4910714 0.4910714 0.4918779), wk = 0.0025126 k( 264) = ( 0.4821429 0.4821429 0.4918779), wk = 0.0025126 k( 265) = ( 0.4732143 0.4732143 0.4918779), wk = 0.0025126 k( 266) = ( 0.4642857 0.4642857 0.4918779), wk = 0.0025126 k( 267) = ( 0.4553571 0.4553571 0.4918779), wk = 0.0025126 k( 268) = ( 0.4464286 0.4464286 0.4918779), wk = 0.0025126 k( 269) = ( 0.4375000 0.4375000 0.4918779), wk = 0.0025126 k( 270) = ( 0.4285714 0.4285714 0.4918779), wk = 0.0025126 k( 271) = ( 0.4196429 0.4196429 0.4918779), wk = 0.0025126 k( 272) = ( 0.4107143 0.4107143 0.4918779), wk = 0.0025126 k( 273) = ( 0.4017857 0.4017857 0.4918779), wk = 0.0025126 k( 274) = ( 0.3928571 0.3928571 0.4918779), wk = 0.0025126 k( 275) = ( 0.3839286 0.3839286 0.4918779), wk = 0.0025126 k( 276) = ( 0.3750000 0.3750000 0.4918779), wk = 0.0025126 k( 277) = ( 0.3660714 0.3660714 0.4918779), wk = 0.0025126 k( 278) = ( 0.3571429 0.3571429 0.4918779), wk = 0.0025126 k( 279) = ( 0.3482143 0.3482143 0.4918779), wk = 0.0025126 k( 280) = ( 0.3392857 0.3392857 0.4918779), wk = 0.0025126 k( 281) = ( 0.3303571 0.3303571 0.4918779), wk = 0.0025126 k( 282) = ( 0.3214286 0.3214286 0.4918779), wk = 0.0025126 k( 283) = ( 0.3125000 0.3125000 0.4918779), wk = 0.0025126 k( 284) = ( 0.3035714 0.3035714 0.4918779), wk = 0.0025126 k( 285) = ( 0.2946429 0.2946429 0.4918779), wk = 0.0025126 k( 286) = ( 0.2857143 0.2857143 0.4918779), wk = 0.0025126 k( 287) = ( 0.2767857 0.2767857 0.4918779), wk = 0.0025126 k( 288) = ( 0.2678571 0.2678571 0.4918779), wk = 0.0025126 k( 289) = ( 0.2589286 0.2589286 0.4918779), wk = 0.0025126 k( 290) = ( 0.2500000 0.2500000 0.4918779), wk = 0.0025126 k( 291) = ( 0.2410714 0.2410714 0.4918779), wk = 0.0025126 k( 292) = ( 0.2321429 0.2321429 0.4918779), wk = 0.0025126 k( 293) = ( 0.2232143 0.2232143 0.4918779), wk = 0.0025126 k( 294) = ( 0.2142857 0.2142857 0.4918779), wk = 0.0025126 k( 295) = ( 0.2053571 0.2053571 0.4918779), wk = 0.0025126 k( 296) = ( 0.1964286 0.1964286 0.4918779), wk = 0.0025126 k( 297) = ( 0.1875000 0.1875000 0.4918779), wk = 0.0025126 k( 298) = ( 0.1785714 0.1785714 0.4918779), wk = 0.0025126 k( 299) = ( 0.1696429 0.1696429 0.4918779), wk = 0.0025126 k( 300) = ( 0.1607143 0.1607143 0.4918779), wk = 0.0025126 k( 301) = ( 0.1517857 0.1517857 0.4918779), wk = 0.0025126 k( 302) = ( 0.1428571 0.1428571 0.4918779), wk = 0.0025126 k( 303) = ( 0.1339286 0.1339286 0.4918779), wk = 0.0025126 k( 304) = ( 0.1250000 0.1250000 0.4918779), wk = 0.0025126 k( 305) = ( 0.1160714 0.1160714 0.4918779), wk = 0.0025126 k( 306) = ( 0.1071429 0.1071429 0.4918779), wk = 0.0025126 k( 307) = ( 0.0982143 0.0982143 0.4918779), wk = 0.0025126 k( 308) = ( 0.0892857 0.0892857 0.4918779), wk = 0.0025126 k( 309) = ( 0.0803571 0.0803571 0.4918779), wk = 0.0025126 k( 310) = ( 0.0714286 0.0714286 0.4918779), wk = 0.0025126 k( 311) = ( 0.0625000 0.0625000 0.4918779), wk = 0.0025126 k( 312) = ( 0.0535714 0.0535714 0.4918779), wk = 0.0025126 k( 313) = ( 0.0446429 0.0446429 0.4918779), wk = 0.0025126 k( 314) = ( 0.0357143 0.0357143 0.4918779), wk = 0.0025126 k( 315) = ( 0.0267857 0.0267857 0.4918779), wk = 0.0025126 k( 316) = ( 0.0178571 0.0178571 0.4918779), wk = 0.0025126 k( 317) = ( 0.0089286 0.0089286 0.4918779), wk = 0.0025126 k( 318) = ( 0.0000000 0.0000000 0.4918779), wk = 0.0025126 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 320) = ( 0.0000000 0.5000000 0.0126123), wk = 0.0025126 k( 321) = ( 0.0000000 0.5000000 0.0252245), wk = 0.0025126 k( 322) = ( 0.0000000 0.5000000 0.0378368), wk = 0.0025126 k( 323) = ( 0.0000000 0.5000000 0.0504490), wk = 0.0025126 k( 324) = ( 0.0000000 0.5000000 0.0630613), wk = 0.0025126 k( 325) = ( 0.0000000 0.5000000 0.0756735), wk = 0.0025126 k( 326) = ( 0.0000000 0.5000000 0.0882858), wk = 0.0025126 k( 327) = ( 0.0000000 0.5000000 0.1008980), wk = 0.0025126 k( 328) = ( 0.0000000 0.5000000 0.1135103), wk = 0.0025126 k( 329) = ( 0.0000000 0.5000000 0.1261225), wk = 0.0025126 k( 330) = ( 0.0000000 0.5000000 0.1387348), wk = 0.0025126 k( 331) = ( 0.0000000 0.5000000 0.1513470), wk = 0.0025126 k( 332) = ( 0.0000000 0.5000000 0.1639593), wk = 0.0025126 k( 333) = ( 0.0000000 0.5000000 0.1765716), wk = 0.0025126 k( 334) = ( 0.0000000 0.5000000 0.1891838), wk = 0.0025126 k( 335) = ( 0.0000000 0.5000000 0.2017961), wk = 0.0025126 k( 336) = ( 0.0000000 0.5000000 0.2144083), wk = 0.0025126 k( 337) = ( 0.0000000 0.5000000 0.2270206), wk = 0.0025126 k( 338) = ( 0.0000000 0.5000000 0.2396328), wk = 0.0025126 k( 339) = ( 0.0000000 0.5000000 0.2522451), wk = 0.0025126 k( 340) = ( 0.0000000 0.5000000 0.2648573), wk = 0.0025126 k( 341) = ( 0.0000000 0.5000000 0.2774696), wk = 0.0025126 k( 342) = ( 0.0000000 0.5000000 0.2900818), wk = 0.0025126 k( 343) = ( 0.0000000 0.5000000 0.3026941), wk = 0.0025126 k( 344) = ( 0.0000000 0.5000000 0.3153064), wk = 0.0025126 k( 345) = ( 0.0000000 0.5000000 0.3279186), wk = 0.0025126 k( 346) = ( 0.0000000 0.5000000 0.3405309), wk = 0.0025126 k( 347) = ( 0.0000000 0.5000000 0.3531431), wk = 0.0025126 k( 348) = ( 0.0000000 0.5000000 0.3657554), wk = 0.0025126 k( 349) = ( 0.0000000 0.5000000 0.3783676), wk = 0.0025126 k( 350) = ( 0.0000000 0.5000000 0.3909799), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 0.4035921), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.4162044), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.4288167), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.4414289), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.4540412), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.4666534), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.4792657), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.4918779), wk = 0.0025126 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 360) = ( 0.5000000 0.5000000 0.0126123), wk = 0.0025126 k( 361) = ( 0.5000000 0.5000000 0.0252245), wk = 0.0025126 k( 362) = ( 0.5000000 0.5000000 0.0378368), wk = 0.0025126 k( 363) = ( 0.5000000 0.5000000 0.0504490), wk = 0.0025126 k( 364) = ( 0.5000000 0.5000000 0.0630613), wk = 0.0025126 k( 365) = ( 0.5000000 0.5000000 0.0756735), wk = 0.0025126 k( 366) = ( 0.5000000 0.5000000 0.0882858), wk = 0.0025126 k( 367) = ( 0.5000000 0.5000000 0.1008980), wk = 0.0025126 k( 368) = ( 0.5000000 0.5000000 0.1135103), wk = 0.0025126 k( 369) = ( 0.5000000 0.5000000 0.1261225), wk = 0.0025126 k( 370) = ( 0.5000000 0.5000000 0.1387348), wk = 0.0025126 k( 371) = ( 0.5000000 0.5000000 0.1513470), wk = 0.0025126 k( 372) = ( 0.5000000 0.5000000 0.1639593), wk = 0.0025126 k( 373) = ( 0.5000000 0.5000000 0.1765716), wk = 0.0025126 k( 374) = ( 0.5000000 0.5000000 0.1891838), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 0.2017961), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.2144083), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.2270206), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.2396328), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.2522451), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.2648573), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.2774696), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.2900818), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.3026941), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.3153064), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.3279186), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.3405309), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.3531431), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.3657554), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3783676), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3909799), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.4035921), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.4162044), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.4288167), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4414289), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4540412), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4666534), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4792657), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.4918779), wk = 0.0025126 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0025126 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0025126 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0025126 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0025126 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0025126 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0025126 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0025126 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0025126 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025126 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0025126 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0025126 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0025126 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0025126 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025126 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0025126 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0025126 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0025126 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025126 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0025126 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0025126 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0025126 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025126 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0025126 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0025126 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0025126 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0025126 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0025126 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0025126 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025126 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0025126 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0025126 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0025126 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0025126 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0025126 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0025126 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0025126 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0025126 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0025126 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0025126 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0025126 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0025126 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0025126 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0025126 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0025126 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0025126 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0025126 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0025126 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0025126 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0025126 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0025126 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0025126 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025126 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0025126 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0025126 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0025126 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0025126 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0025126 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0025126 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025126 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0025126 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0025126 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0025126 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0025126 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0025126 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0025126 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025126 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0025126 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0025126 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0025126 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0025126 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025126 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0025126 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025126 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0025126 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0025126 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0025126 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0025126 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0025126 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0025126 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025126 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0025126 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0025126 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0025126 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0025126 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0025126 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0025126 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 141) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025126 k( 142) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025126 k( 143) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025126 k( 144) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0025126 k( 145) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025126 k( 146) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025126 k( 147) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025126 k( 148) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025126 k( 149) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025126 k( 150) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025126 k( 151) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025126 k( 152) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025126 k( 153) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025126 k( 154) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025126 k( 155) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025126 k( 156) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025126 k( 157) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025126 k( 158) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025126 k( 159) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025126 k( 160) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 181) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0025126 k( 182) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0025126 k( 183) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0025126 k( 184) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025126 k( 185) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0025126 k( 186) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0025126 k( 187) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0025126 k( 188) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025126 k( 189) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0025126 k( 190) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025126 k( 191) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0025126 k( 192) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025126 k( 193) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0025126 k( 194) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0025126 k( 195) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0025126 k( 196) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025126 k( 197) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0025126 k( 198) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0025126 k( 199) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0025126 k( 200) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025126 k( 201) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0025126 k( 202) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0025126 k( 203) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0025126 k( 204) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025126 k( 205) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0025126 k( 206) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0025126 k( 207) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0025126 k( 208) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025126 k( 209) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0025126 k( 210) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025126 k( 211) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0025126 k( 212) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025126 k( 213) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0025126 k( 214) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0025126 k( 215) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0025126 k( 216) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025126 k( 217) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0025126 k( 218) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0025126 k( 219) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0025126 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 221) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 222) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0025126 k( 223) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0025126 k( 224) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0025126 k( 225) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0025126 k( 226) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0025126 k( 227) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0025126 k( 228) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0025126 k( 229) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0025126 k( 230) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0025126 k( 231) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025126 k( 232) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0025126 k( 233) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0025126 k( 234) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0025126 k( 235) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0025126 k( 236) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0025126 k( 237) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0025126 k( 238) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0025126 k( 239) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0025126 k( 240) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0025126 k( 241) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025126 k( 242) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0025126 k( 243) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0025126 k( 244) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0025126 k( 245) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0025126 k( 246) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0025126 k( 247) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0025126 k( 248) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0025126 k( 249) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0025126 k( 250) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0025126 k( 251) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025126 k( 252) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0025126 k( 253) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0025126 k( 254) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0025126 k( 255) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0025126 k( 256) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0025126 k( 257) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0025126 k( 258) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0025126 k( 259) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0025126 k( 260) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0025126 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 263) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0025126 k( 264) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0025126 k( 265) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0025126 k( 266) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0025126 k( 267) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0025126 k( 268) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0025126 k( 269) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0025126 k( 270) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0025126 k( 271) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0025126 k( 272) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0025126 k( 273) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0025126 k( 274) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0025126 k( 275) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0025126 k( 276) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025126 k( 277) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0025126 k( 278) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0025126 k( 279) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0025126 k( 280) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0025126 k( 281) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0025126 k( 282) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0025126 k( 283) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0025126 k( 284) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0025126 k( 285) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0025126 k( 286) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0025126 k( 287) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0025126 k( 288) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0025126 k( 289) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0025126 k( 290) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025126 k( 291) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0025126 k( 292) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0025126 k( 293) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0025126 k( 294) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0025126 k( 295) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0025126 k( 296) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0025126 k( 297) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0025126 k( 298) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0025126 k( 299) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0025126 k( 300) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0025126 k( 301) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0025126 k( 302) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0025126 k( 303) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0025126 k( 304) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025126 k( 305) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0025126 k( 306) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0025126 k( 307) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0025126 k( 308) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0025126 k( 309) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0025126 k( 310) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0025126 k( 311) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0025126 k( 312) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0025126 k( 313) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0025126 k( 314) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0025126 k( 315) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0025126 k( 316) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0025126 k( 317) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0025126 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 320) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0025126 k( 321) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0025126 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025126 k( 323) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0025126 k( 324) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0025126 k( 325) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025126 k( 326) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0025126 k( 327) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0025126 k( 328) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025126 k( 329) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0025126 k( 330) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0025126 k( 331) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025126 k( 332) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025126 k( 333) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0025126 k( 334) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025126 k( 335) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0025126 k( 336) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0025126 k( 337) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025126 k( 338) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0025126 k( 339) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0025126 k( 340) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025126 k( 341) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0025126 k( 342) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0025126 k( 343) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025126 k( 344) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0025126 k( 345) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025126 k( 346) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025126 k( 347) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0025126 k( 348) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0025126 k( 349) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025126 k( 350) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 360) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0025126 k( 361) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0025126 k( 362) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025126 k( 363) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0025126 k( 364) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0025126 k( 365) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025126 k( 366) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0025126 k( 367) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0025126 k( 368) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025126 k( 369) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0025126 k( 370) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0025126 k( 371) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025126 k( 372) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025126 k( 373) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0025126 k( 374) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 Dense grid: 43187 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19685 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 104, 48) NL pseudopotentials 0.09 Mb ( 52, 110) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 898) G-vector shells 0.00 Mb ( 450) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 104, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KNbO3.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 21.7 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.5 secs Computing kpt #: 3 total cpu time spent up to now is 25.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.0 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 33.8 secs Computing kpt #: 6 total cpu time spent up to now is 34.8 secs Computing kpt #: 7 total cpu time spent up to now is 35.8 secs Computing kpt #: 8 total cpu time spent up to now is 36.7 secs Computing kpt #: 9 total cpu time spent up to now is 37.6 secs Computing kpt #: 10 total cpu time spent up to now is 38.5 secs Computing kpt #: 11 total cpu time spent up to now is 39.3 secs Computing kpt #: 12 total cpu time spent up to now is 40.2 secs Computing kpt #: 13 total cpu time spent up to now is 41.0 secs Computing kpt #: 14 total cpu time spent up to now is 41.8 secs Computing kpt #: 15 total cpu time spent up to now is 42.6 secs Computing kpt #: 16 total cpu time spent up to now is 43.4 secs Computing kpt #: 17 total cpu time spent up to now is 44.2 secs Computing kpt #: 18 total cpu time spent up to now is 45.0 secs Computing kpt #: 19 total cpu time spent up to now is 45.7 secs Computing kpt #: 20 total cpu time spent up to now is 46.5 secs Computing kpt #: 21 total cpu time spent up to now is 47.2 secs Computing kpt #: 22 total cpu time spent up to now is 48.0 secs Computing kpt #: 23 total cpu time spent up to now is 48.8 secs Computing kpt #: 24 total cpu time spent up to now is 49.5 secs Computing kpt #: 25 total cpu time spent up to now is 50.1 secs Computing kpt #: 26 total cpu time spent up to now is 51.2 secs Computing kpt #: 27 total cpu time spent up to now is 54.6 secs Computing kpt #: 28 total cpu time spent up to now is 55.2 secs Computing kpt #: 29 total cpu time spent up to now is 55.8 secs Computing kpt #: 30 total cpu time spent up to now is 56.5 secs Computing kpt #: 31 total cpu time spent up to now is 57.1 secs Computing kpt #: 32 total cpu time spent up to now is 57.7 secs Computing kpt #: 33 total cpu time spent up to now is 58.3 secs Computing kpt #: 34 total cpu time spent up to now is 58.8 secs Computing kpt #: 35 total cpu time spent up to now is 59.4 secs Computing kpt #: 36 total cpu time spent up to now is 60.0 secs Computing kpt #: 37 total cpu time spent up to now is 60.5 secs Computing kpt #: 38 total cpu time spent up to now is 61.1 secs Computing kpt #: 39 total cpu time spent up to now is 61.7 secs Computing kpt #: 40 total cpu time spent up to now is 62.2 secs Computing kpt #: 41 total cpu time spent up to now is 62.8 secs Computing kpt #: 42 total cpu time spent up to now is 63.4 secs Computing kpt #: 43 total cpu time spent up to now is 63.9 secs Computing kpt #: 44 total cpu time spent up to now is 64.5 secs Computing kpt #: 45 total cpu time spent up to now is 65.1 secs Computing kpt #: 46 total cpu time spent up to now is 65.7 secs Computing kpt #: 47 total cpu time spent up to now is 66.2 secs Computing kpt #: 48 total cpu time spent up to now is 66.8 secs Computing kpt #: 49 total cpu time spent up to now is 67.3 secs Computing kpt #: 50 total cpu time spent up to now is 67.9 secs Computing kpt #: 51 total cpu time spent up to now is 68.5 secs Computing kpt #: 52 total cpu time spent up to now is 69.0 secs Computing kpt #: 53 total cpu time spent up to now is 69.6 secs Computing kpt #: 54 total cpu time spent up to now is 70.1 secs Computing kpt #: 55 total cpu time spent up to now is 70.7 secs Computing kpt #: 56 total cpu time spent up to now is 71.3 secs Computing kpt #: 57 total cpu time spent up to now is 71.8 secs Computing kpt #: 58 total cpu time spent up to now is 72.4 secs Computing kpt #: 59 total cpu time spent up to now is 73.0 secs Computing kpt #: 60 total cpu time spent up to now is 73.5 secs Computing kpt #: 61 total cpu time spent up to now is 74.1 secs Computing kpt #: 62 total cpu time spent up to now is 74.7 secs Computing kpt #: 63 total cpu time spent up to now is 75.2 secs Computing kpt #: 64 total cpu time spent up to now is 75.8 secs Computing kpt #: 65 total cpu time spent up to now is 76.4 secs Computing kpt #: 66 total cpu time spent up to now is 76.9 secs Computing kpt #: 67 total cpu time spent up to now is 77.5 secs Computing kpt #: 68 total cpu time spent up to now is 78.0 secs Computing kpt #: 69 total cpu time spent up to now is 78.6 secs Computing kpt #: 70 total cpu time spent up to now is 79.1 secs Computing kpt #: 71 total cpu time spent up to now is 79.7 secs Computing kpt #: 72 total cpu time spent up to now is 80.2 secs Computing kpt #: 73 total cpu time spent up to now is 80.8 secs Computing kpt #: 74 total cpu time spent up to now is 81.3 secs Computing kpt #: 75 total cpu time spent up to now is 81.9 secs Computing kpt #: 76 total cpu time spent up to now is 82.4 secs Computing kpt #: 77 total cpu time spent up to now is 82.9 secs Computing kpt #: 78 total cpu time spent up to now is 83.5 secs Computing kpt #: 79 total cpu time spent up to now is 84.0 secs Computing kpt #: 80 total cpu time spent up to now is 84.5 secs Computing kpt #: 81 total cpu time spent up to now is 85.1 secs Computing kpt #: 82 total cpu time spent up to now is 85.6 secs Computing kpt #: 83 total cpu time spent up to now is 86.2 secs Computing kpt #: 84 total cpu time spent up to now is 86.7 secs Computing kpt #: 85 total cpu time spent up to now is 87.2 secs Computing kpt #: 86 total cpu time spent up to now is 87.8 secs Computing kpt #: 87 total cpu time spent up to now is 88.3 secs Computing kpt #: 88 total cpu time spent up to now is 88.9 secs Computing kpt #: 89 total cpu time spent up to now is 89.4 secs Computing kpt #: 90 total cpu time spent up to now is 89.9 secs Computing kpt #: 91 total cpu time spent up to now is 90.5 secs Computing kpt #: 92 total cpu time spent up to now is 91.1 secs Computing kpt #: 93 total cpu time spent up to now is 91.7 secs Computing kpt #: 94 total cpu time spent up to now is 92.2 secs Computing kpt #: 95 total cpu time spent up to now is 92.8 secs Computing kpt #: 96 total cpu time spent up to now is 93.3 secs Computing kpt #: 97 total cpu time spent up to now is 93.9 secs Computing kpt #: 98 total cpu time spent up to now is 94.4 secs Computing kpt #: 99 total cpu time spent up to now is 95.0 secs Computing kpt #: 100 total cpu time spent up to now is 95.6 secs Computing kpt #: 101 total cpu time spent up to now is 96.1 secs Computing kpt #: 102 total cpu time spent up to now is 96.7 secs Computing kpt #: 103 total cpu time spent up to now is 97.2 secs Computing kpt #: 104 total cpu time spent up to now is 97.8 secs Computing kpt #: 105 total cpu time spent up to now is 98.4 secs Computing kpt #: 106 total cpu time spent up to now is 98.9 secs Computing kpt #: 107 total cpu time spent up to now is 99.5 secs Computing kpt #: 108 total cpu time spent up to now is 100.1 secs Computing kpt #: 109 total cpu time spent up to now is 100.7 secs Computing kpt #: 110 total cpu time spent up to now is 101.3 secs Computing kpt #: 111 total cpu time spent up to now is 101.9 secs Computing kpt #: 112 total cpu time spent up to now is 102.5 secs Computing kpt #: 113 total cpu time spent up to now is 103.1 secs Computing kpt #: 114 total cpu time spent up to now is 103.8 secs Computing kpt #: 115 total cpu time spent up to now is 104.5 secs Computing kpt #: 116 total cpu time spent up to now is 105.1 secs Computing kpt #: 117 total cpu time spent up to now is 105.9 secs Computing kpt #: 118 total cpu time spent up to now is 106.7 secs Computing kpt #: 119 total cpu time spent up to now is 107.4 secs Computing kpt #: 120 total cpu time spent up to now is 108.2 secs Computing kpt #: 121 total cpu time spent up to now is 109.0 secs Computing kpt #: 122 total cpu time spent up to now is 109.7 secs Computing kpt #: 123 total cpu time spent up to now is 110.5 secs Computing kpt #: 124 total cpu time spent up to now is 111.4 secs Computing kpt #: 125 total cpu time spent up to now is 112.3 secs Computing kpt #: 126 total cpu time spent up to now is 113.3 secs Computing kpt #: 127 total cpu time spent up to now is 114.1 secs Computing kpt #: 128 total cpu time spent up to now is 115.0 secs Computing kpt #: 129 total cpu time spent up to now is 116.0 secs Computing kpt #: 130 total cpu time spent up to now is 116.9 secs Computing kpt #: 131 total cpu time spent up to now is 117.9 secs Computing kpt #: 132 total cpu time spent up to now is 118.9 secs Computing kpt #: 133 total cpu time spent up to now is 120.0 secs Computing kpt #: 134 total cpu time spent up to now is 127.8 secs Computing kpt #: 135 total cpu time spent up to now is 129.3 secs Computing kpt #: 136 total cpu time spent up to now is 130.3 secs Computing kpt #: 137 total cpu time spent up to now is 131.7 secs Computing kpt #: 138 total cpu time spent up to now is 132.7 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 140 total cpu time spent up to now is 135.3 secs Computing kpt #: 141 total cpu time spent up to now is 136.3 secs Computing kpt #: 142 total cpu time spent up to now is 137.3 secs Computing kpt #: 143 total cpu time spent up to now is 138.2 secs Computing kpt #: 144 total cpu time spent up to now is 139.1 secs Computing kpt #: 145 total cpu time spent up to now is 140.0 secs Computing kpt #: 146 total cpu time spent up to now is 140.9 secs Computing kpt #: 147 total cpu time spent up to now is 141.7 secs Computing kpt #: 148 total cpu time spent up to now is 142.6 secs Computing kpt #: 149 total cpu time spent up to now is 143.4 secs Computing kpt #: 150 total cpu time spent up to now is 144.2 secs Computing kpt #: 151 total cpu time spent up to now is 145.1 secs Computing kpt #: 152 total cpu time spent up to now is 146.0 secs Computing kpt #: 153 total cpu time spent up to now is 146.8 secs Computing kpt #: 154 total cpu time spent up to now is 147.7 secs Computing kpt #: 155 total cpu time spent up to now is 148.4 secs Computing kpt #: 156 total cpu time spent up to now is 149.2 secs Computing kpt #: 157 total cpu time spent up to now is 149.9 secs Computing kpt #: 158 total cpu time spent up to now is 150.6 secs Computing kpt #: 159 total cpu time spent up to now is 151.3 secs Computing kpt #: 160 total cpu time spent up to now is 152.0 secs Computing kpt #: 161 total cpu time spent up to now is 152.7 secs Computing kpt #: 162 total cpu time spent up to now is 153.4 secs Computing kpt #: 163 total cpu time spent up to now is 154.1 secs Computing kpt #: 164 total cpu time spent up to now is 154.7 secs Computing kpt #: 165 total cpu time spent up to now is 155.4 secs Computing kpt #: 166 total cpu time spent up to now is 161.6 secs Computing kpt #: 167 total cpu time spent up to now is 162.3 secs Computing kpt #: 168 total cpu time spent up to now is 162.9 secs Computing kpt #: 169 total cpu time spent up to now is 163.6 secs Computing kpt #: 170 total cpu time spent up to now is 164.1 secs Computing kpt #: 171 total cpu time spent up to now is 164.7 secs Computing kpt #: 172 total cpu time spent up to now is 165.3 secs Computing kpt #: 173 total cpu time spent up to now is 165.9 secs Computing kpt #: 174 total cpu time spent up to now is 166.6 secs Computing kpt #: 175 total cpu time spent up to now is 167.1 secs Computing kpt #: 176 total cpu time spent up to now is 167.7 secs Computing kpt #: 177 total cpu time spent up to now is 168.4 secs Computing kpt #: 178 total cpu time spent up to now is 169.0 secs Computing kpt #: 179 total cpu time spent up to now is 169.6 secs Computing kpt #: 180 total cpu time spent up to now is 170.1 secs Computing kpt #: 181 total cpu time spent up to now is 170.7 secs Computing kpt #: 182 total cpu time spent up to now is 171.3 secs Computing kpt #: 183 total cpu time spent up to now is 171.8 secs Computing kpt #: 184 total cpu time spent up to now is 172.4 secs Computing kpt #: 185 total cpu time spent up to now is 173.0 secs Computing kpt #: 186 total cpu time spent up to now is 173.7 secs Computing kpt #: 187 total cpu time spent up to now is 174.3 secs Computing kpt #: 188 total cpu time spent up to now is 174.9 secs Computing kpt #: 189 total cpu time spent up to now is 175.4 secs Computing kpt #: 190 total cpu time spent up to now is 176.0 secs Computing kpt #: 191 total cpu time spent up to now is 176.6 secs Computing kpt #: 192 total cpu time spent up to now is 177.1 secs Computing kpt #: 193 total cpu time spent up to now is 177.7 secs Computing kpt #: 194 total cpu time spent up to now is 178.4 secs Computing kpt #: 195 total cpu time spent up to now is 179.0 secs Computing kpt #: 196 total cpu time spent up to now is 179.6 secs Computing kpt #: 197 total cpu time spent up to now is 180.1 secs Computing kpt #: 198 total cpu time spent up to now is 180.7 secs Computing kpt #: 199 total cpu time spent up to now is 181.3 secs Computing kpt #: 200 total cpu time spent up to now is 181.8 secs Computing kpt #: 201 total cpu time spent up to now is 182.4 secs Computing kpt #: 202 total cpu time spent up to now is 183.0 secs Computing kpt #: 203 total cpu time spent up to now is 183.5 secs Computing kpt #: 204 total cpu time spent up to now is 184.1 secs Computing kpt #: 205 total cpu time spent up to now is 184.6 secs Computing kpt #: 206 total cpu time spent up to now is 185.2 secs Computing kpt #: 207 total cpu time spent up to now is 185.7 secs Computing kpt #: 208 total cpu time spent up to now is 186.3 secs Computing kpt #: 209 total cpu time spent up to now is 186.9 secs Computing kpt #: 210 total cpu time spent up to now is 187.4 secs Computing kpt #: 211 total cpu time spent up to now is 188.0 secs Computing kpt #: 212 total cpu time spent up to now is 188.6 secs Computing kpt #: 213 total cpu time spent up to now is 189.1 secs Computing kpt #: 214 total cpu time spent up to now is 189.7 secs Computing kpt #: 215 total cpu time spent up to now is 190.3 secs Computing kpt #: 216 total cpu time spent up to now is 190.9 secs Computing kpt #: 217 total cpu time spent up to now is 191.4 secs Computing kpt #: 218 total cpu time spent up to now is 192.0 secs Computing kpt #: 219 total cpu time spent up to now is 192.5 secs Computing kpt #: 220 total cpu time spent up to now is 193.1 secs Computing kpt #: 221 total cpu time spent up to now is 193.7 secs Computing kpt #: 222 total cpu time spent up to now is 194.2 secs Computing kpt #: 223 total cpu time spent up to now is 194.8 secs Computing kpt #: 224 total cpu time spent up to now is 195.4 secs Computing kpt #: 225 total cpu time spent up to now is 196.0 secs Computing kpt #: 226 total cpu time spent up to now is 196.8 secs Computing kpt #: 227 total cpu time spent up to now is 197.4 secs Computing kpt #: 228 total cpu time spent up to now is 198.0 secs Computing kpt #: 229 total cpu time spent up to now is 198.6 secs Computing kpt #: 230 total cpu time spent up to now is 199.2 secs Computing kpt #: 231 total cpu time spent up to now is 199.8 secs Computing kpt #: 232 total cpu time spent up to now is 200.4 secs Computing kpt #: 233 total cpu time spent up to now is 201.0 secs Computing kpt #: 234 total cpu time spent up to now is 201.6 secs Computing kpt #: 235 total cpu time spent up to now is 202.2 secs Computing kpt #: 236 total cpu time spent up to now is 202.9 secs Computing kpt #: 237 total cpu time spent up to now is 203.6 secs Computing kpt #: 238 total cpu time spent up to now is 204.3 secs Computing kpt #: 239 total cpu time spent up to now is 204.9 secs Computing kpt #: 240 total cpu time spent up to now is 205.6 secs Computing kpt #: 241 total cpu time spent up to now is 206.3 secs Computing kpt #: 242 total cpu time spent up to now is 207.0 secs Computing kpt #: 243 total cpu time spent up to now is 207.7 secs Computing kpt #: 244 total cpu time spent up to now is 208.5 secs Computing kpt #: 245 total cpu time spent up to now is 209.3 secs Computing kpt #: 246 total cpu time spent up to now is 210.1 secs Computing kpt #: 247 total cpu time spent up to now is 211.0 secs Computing kpt #: 248 total cpu time spent up to now is 211.8 secs Computing kpt #: 249 total cpu time spent up to now is 212.6 secs Computing kpt #: 250 total cpu time spent up to now is 213.5 secs Computing kpt #: 251 total cpu time spent up to now is 214.4 secs Computing kpt #: 252 total cpu time spent up to now is 215.3 secs Computing kpt #: 253 total cpu time spent up to now is 216.1 secs Computing kpt #: 254 total cpu time spent up to now is 217.0 secs Computing kpt #: 255 total cpu time spent up to now is 217.9 secs Computing kpt #: 256 total cpu time spent up to now is 218.7 secs Computing kpt #: 257 total cpu time spent up to now is 219.6 secs Computing kpt #: 258 total cpu time spent up to now is 220.5 secs Computing kpt #: 259 total cpu time spent up to now is 221.3 secs Computing kpt #: 260 total cpu time spent up to now is 222.1 secs Computing kpt #: 261 total cpu time spent up to now is 222.8 secs Computing kpt #: 262 total cpu time spent up to now is 223.6 secs Computing kpt #: 263 total cpu time spent up to now is 224.4 secs Computing kpt #: 264 total cpu time spent up to now is 225.3 secs Computing kpt #: 265 total cpu time spent up to now is 226.2 secs Computing kpt #: 266 total cpu time spent up to now is 227.1 secs Computing kpt #: 267 total cpu time spent up to now is 228.0 secs Computing kpt #: 268 total cpu time spent up to now is 228.8 secs Computing kpt #: 269 total cpu time spent up to now is 229.7 secs Computing kpt #: 270 total cpu time spent up to now is 230.6 secs Computing kpt #: 271 total cpu time spent up to now is 231.5 secs Computing kpt #: 272 total cpu time spent up to now is 232.4 secs Computing kpt #: 273 total cpu time spent up to now is 233.4 secs Computing kpt #: 274 total cpu time spent up to now is 234.3 secs Computing kpt #: 275 total cpu time spent up to now is 235.2 secs Computing kpt #: 276 total cpu time spent up to now is 236.0 secs Computing kpt #: 277 total cpu time spent up to now is 237.0 secs Computing kpt #: 278 total cpu time spent up to now is 237.9 secs Computing kpt #: 279 total cpu time spent up to now is 238.8 secs Computing kpt #: 280 total cpu time spent up to now is 240.0 secs Computing kpt #: 281 total cpu time spent up to now is 241.0 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.7 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.4 secs Computing kpt #: 284 total cpu time spent up to now is 245.8 secs Computing kpt #: 285 total cpu time spent up to now is 247.0 secs Computing kpt #: 286 total cpu time spent up to now is 247.9 secs Computing kpt #: 287 total cpu time spent up to now is 248.8 secs Computing kpt #: 288 total cpu time spent up to now is 249.4 secs Computing kpt #: 289 total cpu time spent up to now is 250.1 secs Computing kpt #: 290 total cpu time spent up to now is 250.8 secs Computing kpt #: 291 total cpu time spent up to now is 251.6 secs Computing kpt #: 292 total cpu time spent up to now is 252.3 secs Computing kpt #: 293 total cpu time spent up to now is 252.9 secs Computing kpt #: 294 total cpu time spent up to now is 253.5 secs Computing kpt #: 295 total cpu time spent up to now is 254.1 secs Computing kpt #: 296 total cpu time spent up to now is 254.7 secs Computing kpt #: 297 total cpu time spent up to now is 255.5 secs Computing kpt #: 298 total cpu time spent up to now is 256.2 secs Computing kpt #: 299 total cpu time spent up to now is 256.8 secs Computing kpt #: 300 total cpu time spent up to now is 257.3 secs Computing kpt #: 301 total cpu time spent up to now is 258.0 secs Computing kpt #: 302 total cpu time spent up to now is 258.7 secs Computing kpt #: 303 total cpu time spent up to now is 259.3 secs Computing kpt #: 304 total cpu time spent up to now is 259.9 secs Computing kpt #: 305 total cpu time spent up to now is 260.5 secs Computing kpt #: 306 total cpu time spent up to now is 262.4 secs Computing kpt #: 307 total cpu time spent up to now is 263.0 secs Computing kpt #: 308 total cpu time spent up to now is 263.7 secs Computing kpt #: 309 total cpu time spent up to now is 264.3 secs Computing kpt #: 310 total cpu time spent up to now is 265.0 secs Computing kpt #: 311 total cpu time spent up to now is 265.6 secs Computing kpt #: 312 total cpu time spent up to now is 266.2 secs Computing kpt #: 313 total cpu time spent up to now is 266.7 secs Computing kpt #: 314 total cpu time spent up to now is 267.3 secs Computing kpt #: 315 total cpu time spent up to now is 267.8 secs Computing kpt #: 316 total cpu time spent up to now is 268.4 secs Computing kpt #: 317 total cpu time spent up to now is 268.9 secs Computing kpt #: 318 total cpu time spent up to now is 269.5 secs Computing kpt #: 319 total cpu time spent up to now is 270.0 secs Computing kpt #: 320 total cpu time spent up to now is 270.6 secs Computing kpt #: 321 total cpu time spent up to now is 271.2 secs Computing kpt #: 322 total cpu time spent up to now is 271.7 secs Computing kpt #: 323 total cpu time spent up to now is 272.3 secs Computing kpt #: 324 total cpu time spent up to now is 272.9 secs Computing kpt #: 325 total cpu time spent up to now is 273.5 secs Computing kpt #: 326 total cpu time spent up to now is 274.1 secs Computing kpt #: 327 total cpu time spent up to now is 274.6 secs Computing kpt #: 328 total cpu time spent up to now is 275.2 secs Computing kpt #: 329 total cpu time spent up to now is 275.8 secs Computing kpt #: 330 total cpu time spent up to now is 276.3 secs Computing kpt #: 331 total cpu time spent up to now is 276.9 secs Computing kpt #: 332 total cpu time spent up to now is 277.5 secs Computing kpt #: 333 total cpu time spent up to now is 278.1 secs Computing kpt #: 334 total cpu time spent up to now is 278.6 secs Computing kpt #: 335 total cpu time spent up to now is 279.2 secs Computing kpt #: 336 total cpu time spent up to now is 279.8 secs Computing kpt #: 337 total cpu time spent up to now is 280.4 secs Computing kpt #: 338 total cpu time spent up to now is 281.0 secs Computing kpt #: 339 total cpu time spent up to now is 281.5 secs Computing kpt #: 340 total cpu time spent up to now is 282.1 secs Computing kpt #: 341 total cpu time spent up to now is 282.7 secs Computing kpt #: 342 total cpu time spent up to now is 283.2 secs Computing kpt #: 343 total cpu time spent up to now is 283.8 secs Computing kpt #: 344 total cpu time spent up to now is 284.4 secs Computing kpt #: 345 total cpu time spent up to now is 284.9 secs Computing kpt #: 346 total cpu time spent up to now is 285.5 secs Computing kpt #: 347 total cpu time spent up to now is 286.1 secs Computing kpt #: 348 total cpu time spent up to now is 286.6 secs Computing kpt #: 349 total cpu time spent up to now is 287.2 secs Computing kpt #: 350 total cpu time spent up to now is 287.8 secs Computing kpt #: 351 total cpu time spent up to now is 288.4 secs Computing kpt #: 352 total cpu time spent up to now is 288.9 secs Computing kpt #: 353 total cpu time spent up to now is 289.5 secs Computing kpt #: 354 total cpu time spent up to now is 290.0 secs Computing kpt #: 355 total cpu time spent up to now is 290.6 secs Computing kpt #: 356 total cpu time spent up to now is 291.2 secs Computing kpt #: 357 total cpu time spent up to now is 291.7 secs Computing kpt #: 358 total cpu time spent up to now is 292.3 secs Computing kpt #: 359 total cpu time spent up to now is 292.9 secs Computing kpt #: 360 total cpu time spent up to now is 293.4 secs Computing kpt #: 361 total cpu time spent up to now is 293.9 secs Computing kpt #: 362 total cpu time spent up to now is 294.5 secs Computing kpt #: 363 total cpu time spent up to now is 295.0 secs Computing kpt #: 364 total cpu time spent up to now is 295.6 secs Computing kpt #: 365 total cpu time spent up to now is 296.2 secs Computing kpt #: 366 total cpu time spent up to now is 296.7 secs Computing kpt #: 367 total cpu time spent up to now is 297.3 secs Computing kpt #: 368 total cpu time spent up to now is 297.8 secs Computing kpt #: 369 total cpu time spent up to now is 298.4 secs Computing kpt #: 370 total cpu time spent up to now is 299.0 secs Computing kpt #: 371 total cpu time spent up to now is 299.6 secs Computing kpt #: 372 total cpu time spent up to now is 300.2 secs Computing kpt #: 373 total cpu time spent up to now is 300.8 secs Computing kpt #: 374 total cpu time spent up to now is 301.4 secs Computing kpt #: 375 total cpu time spent up to now is 302.0 secs Computing kpt #: 376 total cpu time spent up to now is 302.7 secs Computing kpt #: 377 total cpu time spent up to now is 303.3 secs Computing kpt #: 378 total cpu time spent up to now is 303.9 secs Computing kpt #: 379 total cpu time spent up to now is 304.6 secs Computing kpt #: 380 total cpu time spent up to now is 305.3 secs Computing kpt #: 381 total cpu time spent up to now is 305.9 secs Computing kpt #: 382 total cpu time spent up to now is 306.7 secs Computing kpt #: 383 total cpu time spent up to now is 307.4 secs Computing kpt #: 384 total cpu time spent up to now is 308.2 secs Computing kpt #: 385 total cpu time spent up to now is 308.8 secs Computing kpt #: 386 total cpu time spent up to now is 309.6 secs Computing kpt #: 387 total cpu time spent up to now is 310.3 secs Computing kpt #: 388 total cpu time spent up to now is 311.0 secs Computing kpt #: 389 total cpu time spent up to now is 311.7 secs Computing kpt #: 390 total cpu time spent up to now is 312.4 secs Computing kpt #: 391 total cpu time spent up to now is 313.1 secs Computing kpt #: 392 total cpu time spent up to now is 313.8 secs Computing kpt #: 393 total cpu time spent up to now is 314.5 secs Computing kpt #: 394 total cpu time spent up to now is 315.2 secs Computing kpt #: 395 total cpu time spent up to now is 316.0 secs Computing kpt #: 396 total cpu time spent up to now is 316.7 secs Computing kpt #: 397 total cpu time spent up to now is 317.5 secs Computing kpt #: 398 total cpu time spent up to now is 318.2 secs ethr = 2.50E-11, avg # of iterations = 29.0 total cpu time spent up to now is 318.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0169 -24.0169 -21.9594 -21.9594 -21.8918 -21.8918 -19.0353 -19.0353 -8.7981 -8.7981 -8.3501 -8.3501 -8.3383 -8.3383 -2.7514 -2.7514 -2.4918 -2.4918 -2.4880 -2.4880 5.9594 5.9594 6.1606 6.1606 6.1666 6.1666 6.8729 6.8729 6.8959 6.8959 7.2240 7.2240 7.3951 7.3951 7.5365 7.5365 7.5747 7.5747 9.9641 9.9641 10.5471 10.5471 10.6278 10.6278 13.8520 13.8520 k = 0.0000 0.0125-0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0171 -24.0168 -21.9596 -21.9593 -21.8920 -21.8920 -19.0353 -19.0353 -8.7979 -8.7973 -8.3504 -8.3493 -8.3377 -8.3376 -2.7515 -2.7511 -2.4919 -2.4915 -2.4878 -2.4878 5.9572 5.9588 6.1569 6.1613 6.1648 6.1652 6.8696 6.8710 6.8931 6.8941 7.2227 7.2255 7.3907 7.3956 7.5308 7.5393 7.5730 7.5741 9.9691 9.9697 10.5457 10.5493 10.6259 10.6306 13.8566 13.8588 k = 0.0000 0.0250-0.0000 ( 2493 PWs) bands (ev): -46.4389 -46.4389 -24.0173 -24.0169 -21.9599 -21.9592 -21.8923 -21.8923 -19.0352 -19.0351 -8.7967 -8.7956 -8.3503 -8.3483 -8.3358 -8.3354 -2.7513 -2.7506 -2.4919 -2.4911 -2.4874 -2.4874 5.9520 5.9552 6.1476 6.1583 6.1610 6.1633 6.8596 6.8627 6.8878 6.8892 7.2215 7.2268 7.3829 7.3922 7.5224 7.5362 7.5691 7.5736 9.9846 9.9860 10.5455 10.5525 10.6248 10.6343 13.8714 13.8749 k = 0.0000 0.0375-0.0000 ( 2489 PWs) bands (ev): -46.4389 -46.4389 -24.0177 -24.0170 -21.9602 -21.9592 -21.8929 -21.8929 -19.0350 -19.0349 -8.7947 -8.7931 -8.3499 -8.3475 -8.3326 -8.3313 -2.7510 -2.7499 -2.4917 -2.4907 -2.4868 -2.4866 5.9430 5.9480 6.1327 6.1473 6.1597 6.1614 6.8416 6.8458 6.8824 6.8840 7.2202 7.2277 7.3727 7.3856 7.5092 7.5242 7.5641 7.5751 10.0103 10.0124 10.5466 10.5567 10.6248 10.6393 13.8902 13.8935 k = 0.0000 0.0500-0.0000 ( 2489 PWs) bands (ev): -46.4388 -46.4388 -24.0181 -24.0172 -21.9607 -21.9593 -21.8937 -21.8937 -19.0347 -19.0346 -8.7920 -8.7898 -8.3492 -8.3468 -8.3278 -8.3253 -2.7505 -2.7491 -2.4913 -2.4902 -2.4860 -2.4856 5.9292 5.9360 6.1135 6.1325 6.1578 6.1592 6.8169 6.8211 6.8770 6.8790 7.2184 7.2276 7.3607 7.3765 7.4897 7.5044 7.5587 7.5767 10.0454 10.0485 10.5496 10.5621 10.6265 10.6461 13.9039 13.9064 k = 0.0000 0.0625-0.0000 ( 2481 PWs) bands (ev): -46.4387 -46.4387 -24.0186 -24.0175 -21.9612 -21.9594 -21.8948 -21.8947 -19.0344 -19.0342 -8.7885 -8.7858 -8.3485 -8.3463 -8.3211 -8.3173 -2.7497 -2.7480 -2.4908 -2.4895 -2.4849 -2.4842 5.9090 5.9175 6.0921 6.1155 6.1552 6.1565 6.7876 6.7910 6.8710 6.8736 7.2158 7.2262 7.3474 7.3658 7.4642 7.4787 7.5519 7.5760 10.0893 10.0936 10.5547 10.5689 10.6304 10.6557 13.9106 13.9132 k = 0.0000 0.0750-0.0000 ( 2477 PWs) bands (ev): -46.4386 -46.4386 -24.0192 -24.0179 -21.9618 -21.9597 -21.8960 -21.8959 -19.0339 -19.0337 -8.7846 -8.7813 -8.3478 -8.3458 -8.3125 -8.3072 -2.7488 -2.7468 -2.4902 -2.4889 -2.4836 -2.4826 5.8807 5.8898 6.0708 6.0979 6.1520 6.1533 6.7553 6.7572 6.8639 6.8671 7.2120 7.2233 7.3330 7.3540 7.4338 7.4486 7.5425 7.5715 10.1409 10.1468 10.5618 10.5769 10.6376 10.6691 13.9138 13.9168 k = 0.0000 0.0875-0.0000 ( 2471 PWs) bands (ev): -46.4385 -46.4385 -24.0199 -24.0185 -21.9626 -21.9601 -21.8974 -21.8972 -19.0334 -19.0332 -8.7802 -8.7764 -8.3470 -8.3453 -8.3017 -8.2951 -2.7477 -2.7454 -2.4894 -2.4882 -2.4820 -2.4806 5.8427 5.8511 6.0518 6.0814 6.1482 6.1496 6.7212 6.7213 6.8555 6.8593 7.2068 7.2186 7.3174 7.3409 7.3996 7.4153 7.5297 7.5627 10.1991 10.2072 10.5702 10.5862 10.6499 10.6876 13.9154 13.9190 k = 0.0000 0.1000-0.0000 ( 2465 PWs) bands (ev): -46.4383 -46.4383 -24.0207 -24.0190 -21.9634 -21.9605 -21.8990 -21.8987 -19.0328 -19.0326 -8.7757 -8.7714 -8.3463 -8.3448 -8.2887 -8.2809 -2.7465 -2.7439 -2.4886 -2.4873 -2.4802 -2.4784 5.7943 5.8006 6.0360 6.0667 6.1437 6.1452 6.6842 6.6867 6.8456 6.8501 7.2001 7.2121 7.3005 7.3266 7.3629 7.3800 7.5133 7.5494 10.2625 10.2739 10.5789 10.5966 10.6690 10.7123 13.9163 13.9206 k = 0.0000 0.1125-0.0000 ( 2465 PWs) bands (ev): -46.4383 -46.4383 -24.0216 -24.0197 -21.9644 -21.9611 -21.9008 -21.9004 -19.0322 -19.0319 -8.7711 -8.7663 -8.3456 -8.3442 -8.2735 -8.2645 -2.7451 -2.7422 -2.4876 -2.4864 -2.4781 -2.4760 5.7357 5.7393 6.0229 6.0542 6.1385 6.1403 6.6469 6.6522 6.8338 6.8390 7.1918 7.2037 7.2816 7.3104 7.3247 7.3439 7.4938 7.5320 10.3294 10.3459 10.5870 10.6089 10.6963 10.7440 13.9168 13.9217 k = 0.0000 0.1250-0.0000 ( 2467 PWs) bands (ev): -46.4382 -46.4382 -24.0225 -24.0205 -21.9655 -21.9618 -21.9026 -21.9021 -19.0315 -19.0311 -8.7666 -8.7615 -8.3448 -8.3436 -8.2559 -8.2458 -2.7435 -2.7404 -2.4866 -2.4855 -2.4758 -2.4733 5.6676 5.6683 6.0117 6.0434 6.1327 6.1347 6.6100 6.6181 6.8200 6.8259 7.1818 7.1932 7.2601 7.2858 7.2916 7.3082 7.4721 7.5116 10.3969 10.4218 10.5949 10.6251 10.7323 10.7828 13.9170 13.9225 k = 0.0000 0.1375-0.0000 ( 2467 PWs) bands (ev): -46.4382 -46.4382 -24.0235 -24.0214 -21.9667 -21.9627 -21.9045 -21.9038 -19.0307 -19.0303 -8.7623 -8.7569 -8.3441 -8.3429 -8.2360 -8.2249 -2.7418 -2.7384 -2.4855 -2.4844 -2.4733 -2.4704 5.5891 5.5913 6.0017 6.0339 6.1261 6.1284 6.5738 6.5849 6.8039 6.8104 7.1703 7.1806 7.2354 7.2477 7.2691 7.2737 7.4499 7.4893 10.4600 10.4989 10.6049 10.6495 10.7767 10.8289 13.9171 13.9232 k = 0.0000 0.1500-0.0000 ( 2471 PWs) bands (ev): -46.4382 -46.4382 -24.0246 -24.0223 -21.9682 -21.9637 -21.9065 -21.9056 -19.0299 -19.0295 -8.7585 -8.7528 -8.3433 -8.3423 -8.2136 -8.2017 -2.7400 -2.7364 -2.4843 -2.4833 -2.4705 -2.4674 5.5030 5.5077 5.9923 6.0252 6.1188 6.1215 6.5385 6.5525 6.7853 6.7923 7.1571 7.1653 7.2083 7.2109 7.2406 7.2423 7.4286 7.4666 10.5110 10.5644 10.6292 10.6891 10.8287 10.8817 13.9170 13.9238 k = 0.0000 0.1625-0.0000 ( 2471 PWs) bands (ev): -46.4381 -46.4381 -24.0257 -24.0233 -21.9697 -21.9650 -21.9085 -21.9074 -19.0290 -19.0286 -8.7550 -8.7491 -8.3424 -8.3415 -8.1889 -8.1763 -2.7380 -2.7343 -2.4831 -2.4821 -2.4676 -2.4642 5.4111 5.4179 5.9832 6.0170 6.1106 6.1140 6.5043 6.5213 6.7639 6.7714 7.1421 7.1465 7.1761 7.1806 7.2081 7.2110 7.4094 7.4448 10.5453 10.5914 10.6945 10.7483 10.8878 10.9409 13.9168 13.9242 k = 0.0000 0.1750-0.0000 ( 2471 PWs) bands (ev): -46.4380 -46.4380 -24.0268 -24.0243 -21.9715 -21.9663 -21.9104 -21.9091 -19.0280 -19.0277 -8.7520 -8.7460 -8.3416 -8.3408 -8.1619 -8.1487 -2.7360 -2.7321 -2.4818 -2.4809 -2.4645 -2.4608 5.3143 5.3230 5.9739 6.0090 6.1015 6.1057 6.4712 6.4911 6.7398 6.7476 7.1223 7.1243 7.1440 7.1547 7.1763 7.1765 7.3928 7.4248 10.5665 10.6010 10.7792 10.8226 10.9532 11.0057 13.9166 13.9246 k = 0.0000 0.1875-0.0000 ( 2467 PWs) bands (ev): -46.4379 -46.4379 -24.0280 -24.0254 -21.9734 -21.9679 -21.9123 -21.9108 -19.0271 -19.0267 -8.7496 -8.7436 -8.3407 -8.3400 -8.1328 -8.1191 -2.7338 -2.7298 -2.4804 -2.4796 -2.4611 -2.4572 5.2135 5.2238 5.9644 6.0010 6.0916 6.0966 6.4393 6.4622 6.7130 6.7210 7.0915 7.0996 7.1164 7.1298 7.1424 7.1477 7.3789 7.4071 10.5805 10.6072 10.8688 10.9058 11.0242 11.0757 13.9162 13.9249 k = 0.0000 0.2000-0.0000 ( 2467 PWs) bands (ev): -46.4378 -46.4378 -24.0293 -24.0266 -21.9755 -21.9697 -21.9140 -21.9124 -19.0261 -19.0257 -8.7477 -8.7417 -8.3398 -8.3392 -8.1017 -8.0877 -2.7316 -2.7275 -2.4790 -2.4782 -2.4577 -2.4536 5.1097 5.1213 5.9545 5.9928 6.0807 6.0868 6.4088 6.4346 6.6838 6.6919 7.0544 7.0642 7.0930 7.1050 7.1142 7.1243 7.3671 7.3918 10.5908 10.6124 10.9604 10.9938 11.1000 11.1501 13.9158 13.9250 k = 0.0000 0.2125-0.0000 ( 2465 PWs) bands (ev): -46.4377 -46.4377 -24.0305 -24.0278 -21.9777 -21.9717 -21.9157 -21.9140 -19.0251 -19.0246 -8.7464 -8.7404 -8.3389 -8.3383 -8.0688 -8.0545 -2.7293 -2.7251 -2.4776 -2.4769 -2.4541 -2.4498 5.0036 5.0162 5.9441 5.9843 6.0689 6.0763 6.3798 6.4083 6.6527 6.6606 7.0121 7.0214 7.0714 7.0822 7.0921 7.1038 7.3570 7.3785 10.5992 10.6172 11.0530 11.0845 11.1797 11.2282 13.9153 13.9251 k = 0.0000 0.2250-0.0000 ( 2463 PWs) bands (ev): -46.4375 -46.4375 -24.0318 -24.0290 -21.9801 -21.9740 -21.9172 -21.9154 -19.0240 -19.0236 -8.7455 -8.7397 -8.3380 -8.3375 -8.0343 -8.0198 -2.7270 -2.7228 -2.4761 -2.4754 -2.4504 -2.4460 4.8959 4.9093 5.9331 5.9753 6.0561 6.0651 6.3523 6.3835 6.6201 6.6279 6.9664 6.9748 7.0522 7.0622 7.0727 7.0845 7.3482 7.3670 10.6065 10.6219 11.1461 11.1765 11.2628 11.3093 13.9147 13.9251 k = 0.0000 0.2375-0.0000 ( 2457 PWs) bands (ev): -46.4374 -46.4374 -24.0331 -24.0303 -21.9826 -21.9763 -21.9186 -21.9167 -19.0230 -19.0225 -8.7452 -8.7394 -8.3371 -8.3366 -7.9984 -7.9839 -2.7247 -2.7204 -2.4746 -2.4740 -2.4466 -2.4421 4.7874 4.8014 5.9214 5.9656 6.0426 6.0531 6.3266 6.3603 6.5866 6.5943 6.9191 6.9268 7.0355 7.0449 7.0542 7.0655 7.3405 7.3570 10.6131 10.6264 11.2391 11.2690 11.3482 11.3928 13.9139 13.9250 k = 0.0000 0.2500-0.0000 ( 2453 PWs) bands (ev): -46.4372 -46.4372 -24.0344 -24.0315 -21.9853 -21.9789 -21.9199 -21.9179 -19.0219 -19.0215 -8.7452 -8.7397 -8.3362 -8.3357 -7.9615 -7.9469 -2.7223 -2.7180 -2.4731 -2.4726 -2.4427 -2.4382 4.6787 4.6931 5.9090 5.9550 6.0284 6.0406 6.3027 6.3388 6.5528 6.5604 6.8711 6.8786 7.0210 7.0299 7.0361 7.0468 7.3336 7.3481 10.6191 10.6309 11.3318 11.3613 11.4353 11.4779 13.9131 13.9247 k = 0.0000 0.2625-0.0000 ( 2453 PWs) bands (ev): -46.4371 -46.4371 -24.0357 -24.0328 -21.9880 -21.9816 -21.9210 -21.9190 -19.0208 -19.0204 -8.7456 -8.7403 -8.3353 -8.3348 -7.9236 -7.9092 -2.7199 -2.7157 -2.4716 -2.4711 -2.4388 -2.4343 4.5706 4.5852 5.8959 5.9432 6.0138 6.0275 6.2807 6.3189 6.5192 6.5268 6.8233 6.8310 7.0081 7.0167 7.0185 7.0284 7.3273 7.3402 10.6249 10.6353 11.4237 11.4529 11.5233 11.5640 13.9122 13.9243 k = 0.0000 0.2750-0.0000 ( 2447 PWs) bands (ev): -46.4370 -46.4370 -24.0369 -24.0341 -21.9907 -21.9844 -21.9220 -21.9199 -19.0198 -19.0193 -8.7464 -8.7413 -8.3344 -8.3340 -7.8852 -7.8710 -2.7176 -2.7134 -2.4702 -2.4697 -2.4349 -2.4304 4.4636 4.4784 5.8821 5.9301 5.9992 6.0140 6.2607 6.3007 6.4863 6.4940 6.7763 6.7843 6.9960 7.0020 7.0049 7.0105 7.3216 7.3330 10.6303 10.6396 11.5146 11.5433 11.6114 11.6505 13.9111 13.9237 k = 0.0000 0.2875-0.0000 ( 2453 PWs) bands (ev): -46.4370 -46.4370 -24.0382 -24.0354 -21.9936 -21.9873 -21.9228 -21.9208 -19.0187 -19.0183 -8.7474 -8.7426 -8.3335 -8.3331 -7.8466 -7.8327 -2.7153 -2.7112 -2.4687 -2.4683 -2.4310 -2.4266 4.3584 4.3731 5.8675 5.9155 5.9849 6.0003 6.2424 6.2843 6.4545 6.4624 6.7304 6.7391 6.9816 6.9896 6.9914 6.9960 7.3163 7.3265 10.6355 10.6439 11.6040 11.6320 11.6990 11.7366 13.9099 13.9229 k = 0.0000 0.3000-0.0000 ( 2457 PWs) bands (ev): -46.4369 -46.4369 -24.0394 -24.0367 -21.9964 -21.9903 -21.9235 -21.9216 -19.0177 -19.0173 -8.7487 -8.7441 -8.3326 -8.3322 -7.8079 -7.7944 -2.7130 -2.7090 -2.4673 -2.4669 -2.4272 -2.4228 4.2557 4.2702 5.8524 5.8993 5.9712 5.9864 6.2260 6.2694 6.4240 6.4325 6.6861 6.6955 6.9654 6.9744 6.9804 6.9865 7.3115 7.3206 10.6406 10.6481 11.6915 11.7186 11.7855 11.8219 13.9086 13.9220 k = 0.0000 0.3125-0.0000 ( 2459 PWs) bands (ev): -46.4369 -46.4369 -24.0406 -24.0380 -21.9991 -21.9933 -21.9241 -21.9223 -19.0167 -19.0163 -8.7501 -8.7458 -8.3317 -8.3314 -7.7696 -7.7565 -2.7108 -2.7069 -2.4659 -2.4655 -2.4234 -2.4191 4.1559 4.1701 5.8369 5.8819 5.9582 5.9725 6.2112 6.2560 6.3953 6.4044 6.6435 6.6537 6.9492 6.9576 6.9727 6.9784 7.3070 7.3152 10.6454 10.6522 11.7768 11.8026 11.8703 11.9057 13.9072 13.9209 k = 0.0000 0.3250-0.0000 ( 2463 PWs) bands (ev): -46.4368 -46.4368 -24.0417 -24.0392 -22.0019 -21.9962 -21.9246 -21.9229 -19.0158 -19.0154 -8.7516 -8.7476 -8.3309 -8.3306 -7.7319 -7.7192 -2.7086 -2.7049 -2.4645 -2.4642 -2.4197 -2.4156 4.0596 4.0735 5.8211 5.8635 5.9457 5.9587 6.1979 6.2441 6.3685 6.3785 6.6029 6.6140 6.9336 6.9414 6.9660 6.9713 7.3028 7.3102 10.6500 10.6561 11.8594 11.8837 11.9529 11.9874 13.9057 13.9196 k = 0.0000 0.3375-0.0000 ( 2462 PWs) bands (ev): -46.4367 -46.4367 -24.0428 -24.0404 -22.0045 -21.9991 -21.9251 -21.9234 -19.0149 -19.0145 -8.7532 -8.7495 -8.3301 -8.3299 -7.6951 -7.6830 -2.7065 -2.7030 -2.4632 -2.4629 -2.4162 -2.4121 3.9675 3.9808 5.8053 5.8445 5.9338 5.9452 6.1862 6.2334 6.3438 6.3548 6.5644 6.5763 6.9186 6.9258 6.9600 6.9648 7.2990 7.3056 10.6543 10.6599 11.9388 11.9614 12.0329 12.0665 13.9041 13.9182 k = 0.0000 0.3500-0.0000 ( 2462 PWs) bands (ev): -46.4367 -46.4367 -24.0439 -24.0416 -22.0070 -22.0020 -21.9254 -21.9239 -19.0140 -19.0136 -8.7549 -8.7514 -8.3293 -8.3291 -7.6595 -7.6480 -2.7045 -2.7012 -2.4620 -2.4617 -2.4127 -2.4089 3.8800 3.8926 5.7897 5.8256 5.9224 5.9320 6.1758 6.2238 6.3214 6.3335 6.5281 6.5408 6.9044 6.9110 6.9547 6.9591 7.2955 7.3014 10.6585 10.6635 12.0146 12.0354 12.1098 12.1425 13.9024 13.9165 k = 0.0000 0.3625-0.0000 ( 2466 PWs) bands (ev): -46.4366 -46.4366 -24.0448 -24.0427 -22.0094 -22.0047 -21.9257 -21.9243 -19.0131 -19.0128 -8.7565 -8.7534 -8.3286 -8.3284 -7.6254 -7.6146 -2.7027 -2.6996 -2.4608 -2.4605 -2.4094 -2.4058 3.7975 3.8095 5.7744 5.8069 5.9114 5.9193 6.1667 6.2152 6.3015 6.3145 6.4940 6.5074 6.8911 6.8971 6.9499 6.9540 7.2922 7.2975 10.6624 10.6669 12.0863 12.1051 12.1831 12.2147 13.9007 13.9146 k = 0.0000 0.3750-0.0000 ( 2458 PWs) bands (ev): -46.4365 -46.4365 -24.0457 -24.0437 -22.0117 -22.0073 -21.9259 -21.9246 -19.0123 -19.0120 -8.7582 -8.7553 -8.3280 -8.3278 -7.5930 -7.5830 -2.7009 -2.6980 -2.4597 -2.4594 -2.4063 -2.4029 3.7206 3.7318 5.7598 5.7889 5.9008 5.9071 6.1589 6.2072 6.2842 6.2980 6.4624 6.4763 6.8786 6.8841 6.9458 6.9494 7.2893 7.2940 10.6661 10.6700 12.1534 12.1703 12.2524 12.2828 13.8989 13.9126 k = 0.0000 0.3875-0.0000 ( 2458 PWs) bands (ev): -46.4364 -46.4364 -24.0465 -24.0447 -22.0137 -22.0097 -21.9261 -21.9249 -19.0116 -19.0113 -8.7597 -8.7571 -8.3273 -8.3272 -7.5628 -7.5536 -2.6992 -2.6966 -2.4587 -2.4584 -2.4034 -2.4003 3.6497 3.6600 5.7461 5.7718 5.8907 5.8957 6.1523 6.1997 6.2697 6.2838 6.4331 6.4474 6.8672 6.8721 6.9421 6.9454 7.2867 7.2908 10.6694 10.6730 12.2156 12.2305 12.3171 12.3461 13.8971 13.9104 k = 0.0000 0.4000-0.0000 ( 2458 PWs) bands (ev): -46.4363 -46.4363 -24.0473 -24.0456 -22.0156 -22.0120 -21.9263 -21.9252 -19.0110 -19.0107 -8.7612 -8.7589 -8.3268 -8.3266 -7.5349 -7.5265 -2.6977 -2.6953 -2.4577 -2.4575 -2.4007 -2.3979 3.5852 3.5946 5.7334 5.7558 5.8812 5.8850 6.1469 6.1924 6.2580 6.2718 6.4063 6.4208 6.8568 6.8612 6.9390 6.9418 7.2844 7.2880 10.6725 10.6756 12.2724 12.2854 12.3770 12.4041 13.8955 13.9080 k = 0.0000 0.4125-0.0000 ( 2458 PWs) bands (ev): -46.4363 -46.4363 -24.0479 -24.0464 -22.0173 -22.0141 -21.9264 -21.9254 -19.0104 -19.0101 -8.7625 -8.7605 -8.3263 -8.3261 -7.5095 -7.5021 -2.6963 -2.6942 -2.4569 -2.4567 -2.3983 -2.3958 3.5275 3.5358 5.7219 5.7412 5.8725 5.8753 6.1427 6.1851 6.2492 6.2621 6.3821 6.3965 6.8475 6.8514 6.9362 6.9387 7.2823 7.2855 10.6753 10.6780 12.3235 12.3346 12.4315 12.4564 13.8939 13.9056 k = 0.0000 0.4250-0.0000 ( 2454 PWs) bands (ev): -46.4362 -46.4362 -24.0485 -24.0472 -22.0187 -22.0159 -21.9264 -21.9256 -19.0098 -19.0096 -8.7637 -8.7620 -8.3258 -8.3257 -7.4869 -7.4805 -2.6951 -2.6933 -2.4561 -2.4560 -2.3961 -2.3939 3.4768 3.4840 5.7119 5.7281 5.8645 5.8666 6.1396 6.1779 6.2433 6.2544 6.3604 6.3744 6.8394 6.8427 6.9339 6.9360 7.2806 7.2832 10.6778 10.6800 12.3686 12.3779 12.4802 12.5025 13.8926 13.9032 k = 0.0000 0.4375-0.0000 ( 2450 PWs) bands (ev): -46.4361 -46.4361 -24.0489 -24.0478 -22.0199 -22.0176 -21.9265 -21.9258 -19.0094 -19.0092 -8.7647 -8.7633 -8.3254 -8.3253 -7.4674 -7.4620 -2.6940 -2.6925 -2.4555 -2.4554 -2.3942 -2.3924 3.4335 3.4396 5.7033 5.7167 5.8576 5.8590 6.1377 6.1709 6.2397 6.2487 6.3415 6.3547 6.8325 6.8353 6.9320 6.9338 7.2792 7.2813 10.6799 10.6818 12.4073 12.4148 12.5226 12.5420 13.8914 13.9007 k = 0.0000 0.4500-0.0000 ( 2446 PWs) bands (ev): -46.4360 -46.4360 -24.0493 -24.0484 -22.0208 -22.0190 -21.9265 -21.9259 -19.0090 -19.0089 -8.7655 -8.7644 -8.3251 -8.3250 -7.4510 -7.4467 -2.6931 -2.6918 -2.4549 -2.4548 -2.3926 -2.3911 3.3979 3.4028 5.6964 5.7070 5.8517 5.8527 6.1368 6.1642 6.2383 6.2448 6.3255 6.3374 6.8269 6.8291 6.9305 6.9319 7.2780 7.2797 10.6818 10.6832 12.4394 12.4453 12.5584 12.5744 13.8906 13.8984 k = 0.0000 0.4625-0.0000 ( 2446 PWs) bands (ev): -46.4360 -46.4360 -24.0495 -24.0488 -22.0215 -22.0201 -21.9265 -21.9261 -19.0087 -19.0086 -8.7661 -8.7653 -8.3248 -8.3248 -7.4380 -7.4347 -2.6923 -2.6914 -2.4545 -2.4544 -2.3913 -2.3902 3.3701 3.3738 5.6912 5.6990 5.8470 5.8477 6.1370 6.1579 6.2383 6.2425 6.3126 6.3226 6.8225 6.8242 6.9294 6.9304 7.2772 7.2785 10.6832 10.6843 12.4647 12.4691 12.5871 12.5995 13.8902 13.8962 k = 0.0000 0.4750-0.0000 ( 2458 PWs) bands (ev): -46.4361 -46.4361 -24.0497 -24.0492 -22.0220 -22.0210 -21.9265 -21.9262 -19.0085 -19.0084 -8.7666 -8.7660 -8.3247 -8.3246 -7.4285 -7.4263 -2.6918 -2.6911 -2.4542 -2.4542 -2.3903 -2.3896 3.3503 3.3528 5.6878 5.6930 5.8436 5.8440 6.1383 6.1524 6.2392 6.2414 6.3034 6.3108 6.8195 6.8206 6.9286 6.9293 7.2766 7.2775 10.6843 10.6850 12.4831 12.4860 12.6085 12.6169 13.8901 13.8942 k = 0.0000 0.4875-0.0000 ( 2464 PWs) bands (ev): -46.4362 -46.4362 -24.0497 -24.0495 -22.0222 -22.0217 -21.9264 -21.9263 -19.0084 -19.0083 -8.7667 -8.7665 -8.3246 -8.3245 -7.4225 -7.4214 -2.6913 -2.6910 -2.4540 -2.4540 -2.3897 -2.3893 3.3386 3.3399 5.6862 5.6888 5.8416 5.8418 6.1405 6.1476 6.2403 6.2411 6.2984 6.3024 6.8178 6.8183 6.9282 6.9286 7.2764 7.2768 10.6850 10.6854 12.4944 12.4959 12.6224 12.6266 13.8905 13.8926 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4362 -46.4362 -24.0497 -24.0497 -22.0220 -22.0220 -21.9264 -21.9264 -19.0083 -19.0083 -8.7667 -8.7667 -8.3245 -8.3245 -7.4201 -7.4201 -2.6911 -2.6911 -2.4540 -2.4540 -2.3893 -2.3893 3.3351 3.3351 5.6865 5.6865 5.8410 5.8410 6.1436 6.1436 6.2409 6.2409 6.2981 6.2981 6.8174 6.8174 6.9282 6.9282 7.2765 7.2765 10.6854 10.6854 12.4987 12.4987 12.6284 12.6284 13.8913 13.8913 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4362 -46.4362 -24.0497 -24.0497 -22.0220 -22.0220 -21.9264 -21.9264 -19.0083 -19.0083 -8.7667 -8.7667 -8.3245 -8.3245 -7.4201 -7.4201 -2.6911 -2.6911 -2.4540 -2.4540 -2.3893 -2.3893 3.3351 3.3351 5.6865 5.6865 5.8410 5.8410 6.1436 6.1436 6.2409 6.2409 6.2981 6.2981 6.8174 6.8174 6.9282 6.9282 7.2765 7.2765 10.6854 10.6854 12.4987 12.4987 12.6284 12.6284 13.8913 13.8913 k = 0.0125 0.5000-0.0000 ( 2462 PWs) bands (ev): -46.4362 -46.4362 -24.0498 -24.0496 -22.0221 -22.0220 -21.9267 -21.9263 -19.0083 -19.0083 -8.7664 -8.7653 -8.3248 -8.3229 -7.4202 -7.4202 -2.6918 -2.6905 -2.4548 -2.4531 -2.3897 -2.3893 3.3350 3.3351 5.6829 5.6877 5.8254 5.8331 6.1416 6.1425 6.2389 6.2393 6.3046 6.3082 6.8214 6.8223 6.9119 6.9273 7.2736 7.2906 10.6820 10.6899 12.4972 12.5018 12.6264 12.6308 13.8947 13.8977 k = 0.0250 0.5000-0.0000 ( 2462 PWs) bands (ev): -46.4362 -46.4362 -24.0501 -24.0496 -22.0221 -22.0219 -21.9274 -21.9265 -19.0082 -19.0082 -8.7644 -8.7621 -8.3237 -8.3199 -7.4205 -7.4204 -2.6926 -2.6900 -2.4557 -2.4524 -2.3905 -2.3897 3.3348 3.3351 5.6753 5.6865 5.7897 5.8059 6.1356 6.1382 6.2327 6.2346 6.3254 6.3318 6.8345 6.8362 6.8824 6.9093 7.2818 7.3123 10.6799 10.6956 12.4972 12.5066 12.6248 12.6336 13.9078 13.9135 k = 0.0375 0.5000-0.0000 ( 2462 PWs) bands (ev): -46.4362 -46.4362 -24.0504 -24.0497 -22.0222 -22.0218 -21.9285 -21.9271 -19.0082 -19.0082 -8.7608 -8.7572 -8.3212 -8.3155 -7.4209 -7.4207 -2.6935 -2.6897 -2.4565 -2.4516 -2.3916 -2.3905 3.3345 3.3349 5.6593 5.6799 5.7434 5.7702 6.1243 6.1300 6.2216 6.2272 6.3545 6.3626 6.8439 6.8579 6.8588 6.8791 7.2972 7.3370 10.6797 10.7028 12.4986 12.5130 12.6235 12.6370 13.9299 13.9383 k = 0.0500 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4362 -46.4362 -24.0508 -24.0500 -22.0222 -22.0217 -21.9298 -21.9279 -19.0081 -19.0081 -8.7555 -8.7508 -8.3173 -8.3097 -7.4214 -7.4212 -2.6944 -2.6894 -2.4574 -2.4509 -2.3931 -2.3917 3.3342 3.3346 5.6269 5.6515 5.7085 5.7397 6.1061 6.1169 6.2052 6.2176 6.3862 6.3953 6.8042 6.8405 6.8891 6.8921 7.3151 7.3609 10.6820 10.7122 12.5013 12.5211 12.6224 12.6410 13.9600 13.9708 k = 0.0625 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4363 -46.4363 -24.0513 -24.0503 -22.0222 -22.0216 -21.9314 -21.9291 -19.0079 -19.0079 -8.7488 -8.7429 -8.3119 -8.3024 -7.4221 -7.4218 -2.6955 -2.6893 -2.4583 -2.4502 -2.3949 -2.3932 3.3337 3.3343 5.5754 5.5925 5.6975 5.7213 6.0798 6.0970 6.1844 6.2061 6.4167 6.4262 6.7649 6.8009 6.9299 6.9330 7.3318 7.3816 10.6878 10.7245 12.5053 12.5310 12.6216 12.6459 13.9970 14.0101 k = 0.0750 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4362 -46.4362 -24.0519 -24.0506 -22.0222 -22.0215 -21.9333 -21.9305 -19.0078 -19.0078 -8.7408 -8.7336 -8.3050 -8.2935 -7.4229 -7.4226 -2.6966 -2.6893 -2.4592 -2.4495 -2.3971 -2.3950 3.3331 3.3338 5.5118 5.5230 5.6926 5.7107 6.0441 6.0668 6.1615 6.1931 6.4443 6.4538 6.7293 6.7625 6.9787 6.9819 7.3452 7.3976 10.6979 10.7406 12.5104 12.5427 12.6210 12.6517 14.0395 14.0545 k = 0.0875 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4361 -46.4361 -24.0526 -24.0511 -22.0222 -22.0214 -21.9354 -21.9322 -19.0076 -19.0076 -8.7315 -8.7231 -8.2963 -8.2830 -7.4238 -7.4235 -2.6978 -2.6894 -2.4600 -2.4489 -2.3996 -2.3971 3.3325 3.3333 5.4420 5.4498 5.6888 5.7034 5.9979 6.0230 6.1393 6.1786 6.4685 6.4779 6.6994 6.7280 7.0343 7.0373 7.3540 7.4080 10.7132 10.7612 12.5165 12.5564 12.6206 12.6587 14.0860 14.1027 k = 0.1000 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4360 -46.4360 -24.0533 -24.0516 -22.0221 -22.0213 -21.9378 -21.9342 -19.0073 -19.0073 -8.7213 -8.7117 -8.2859 -8.2707 -7.4249 -7.4245 -2.6991 -2.6897 -2.4608 -2.4484 -2.4024 -2.3995 3.3317 3.3327 5.3693 5.3750 5.6849 5.6973 5.9411 5.9650 6.1188 6.1630 6.4897 6.4987 6.6758 6.6986 7.0949 7.0978 7.3574 7.4125 10.7344 10.7870 12.5233 12.5720 12.6204 12.6671 14.1349 14.1530 k = 0.1125 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4360 -46.4360 -24.0541 -24.0523 -22.0221 -22.0212 -21.9404 -21.9365 -19.0071 -19.0071 -8.7102 -8.6995 -8.2735 -8.2566 -7.4261 -7.4256 -2.7005 -2.6901 -2.4616 -2.4479 -2.4054 -2.4022 3.3308 3.3319 5.2951 5.2995 5.6807 5.6916 5.8740 5.8943 6.0994 6.1460 6.5083 6.5170 6.6582 6.6750 7.1592 7.1618 7.3555 7.4110 10.7620 10.8186 12.5306 12.5896 12.6204 12.6771 14.1848 14.2041 k = 0.1250 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4359 -46.4359 -24.0549 -24.0530 -22.0221 -22.0210 -21.9433 -21.9389 -19.0068 -19.0068 -8.6986 -8.6868 -8.2592 -8.2406 -7.4274 -7.4268 -2.7019 -2.6907 -2.4624 -2.4475 -2.4086 -2.4051 3.3299 3.3311 5.2206 5.2241 5.6759 5.6859 5.7976 5.8135 6.0802 6.1279 6.5250 6.5334 6.6459 6.6569 7.2258 7.2282 7.3485 7.4038 10.7962 10.8563 12.5382 12.6089 12.6209 12.6892 14.2344 14.2547 k = 0.1375 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4358 -46.4358 -24.0559 -24.0537 -22.0221 -22.0209 -21.9463 -21.9416 -19.0065 -19.0065 -8.6866 -8.6738 -8.2428 -8.2226 -7.4288 -7.4281 -2.7034 -2.6914 -2.4631 -2.4472 -2.4120 -2.4082 3.3288 3.3302 5.1463 5.1490 5.6694 5.6788 5.7143 5.7255 6.0606 6.1085 6.5403 6.5484 6.6380 6.6437 7.2936 7.2957 7.3366 7.3915 10.8372 10.9000 12.5457 12.6196 12.6322 12.7036 14.2826 14.3038 k = 0.1500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4358 -46.4358 -24.0568 -24.0546 -22.0221 -22.0208 -21.9495 -21.9445 -19.0062 -19.0062 -8.6743 -8.6608 -8.2241 -8.2026 -7.4302 -7.4296 -2.7050 -2.6924 -2.4639 -2.4471 -2.4154 -2.4114 3.3276 3.3291 5.0726 5.0749 5.6191 5.6231 5.6704 5.6764 6.0403 6.0878 6.5546 6.5625 6.6335 6.6348 7.3206 7.3616 7.3638 7.3746 10.8847 10.9497 12.5530 12.6203 12.6557 12.7204 14.3285 14.3505 k = 0.1625 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4358 -46.4358 -24.0579 -24.0555 -22.0221 -22.0207 -21.9528 -21.9475 -19.0059 -19.0059 -8.6621 -8.6479 -8.2032 -8.1805 -7.4318 -7.4310 -2.7066 -2.6934 -2.4647 -2.4472 -2.4188 -2.4148 3.3262 3.3279 4.9999 5.0018 5.5224 5.5239 5.6626 5.6695 6.0193 6.0659 6.5681 6.5760 6.6294 6.6318 7.3011 7.3535 7.4296 7.4314 10.9386 11.0053 12.5599 12.6208 12.6818 12.7400 14.3715 14.3941 k = 0.1750 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4357 -46.4357 -24.0589 -24.0564 -22.0221 -22.0206 -21.9563 -21.9506 -19.0055 -19.0055 -8.6501 -8.6353 -8.1801 -8.1563 -7.4334 -7.4326 -2.7083 -2.6946 -2.4655 -2.4476 -2.4221 -2.4181 3.3247 3.3266 4.9285 4.9301 5.4187 5.4206 5.6562 5.6630 5.9975 6.0429 6.5810 6.5891 6.6269 6.6321 7.2789 7.3296 7.4965 7.4982 10.9982 11.0662 12.5663 12.6213 12.7102 12.7624 14.4111 14.4344 k = 0.1875 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4355 -46.4355 -24.0600 -24.0574 -22.0222 -22.0205 -21.9598 -21.9539 -19.0051 -19.0051 -8.6383 -8.6231 -8.1547 -8.1302 -7.4351 -7.4342 -2.7100 -2.6960 -2.4663 -2.4484 -2.4250 -2.4214 3.3231 3.3251 4.8586 4.8599 5.3103 5.3152 5.6498 5.6563 5.9748 6.0188 6.5932 6.6019 6.6270 6.6341 7.2546 7.3033 7.5620 7.5636 11.0632 11.1320 12.5721 12.6219 12.7407 12.7875 14.4471 14.4710 k = 0.2000 0.5000-0.0000 ( 2466 PWs) bands (ev): -46.4354 -46.4354 -24.0611 -24.0585 -22.0223 -22.0205 -21.9634 -21.9572 -19.0047 -19.0047 -8.6269 -8.6116 -8.1272 -8.1021 -7.4368 -7.4358 -2.7117 -2.6975 -2.4673 -2.4499 -2.4274 -2.4246 3.3213 3.3234 4.7903 4.7915 5.1996 5.2071 5.6432 5.6493 5.9513 5.9936 6.6044 6.6144 6.6297 6.6374 7.2290 7.2753 7.6259 7.6273 11.1328 11.2021 12.5774 12.6225 12.7734 12.8154 14.4794 14.5040 k = 0.2125 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4354 -46.4353 -24.0623 -24.0596 -22.0224 -22.0205 -21.9670 -21.9606 -19.0044 -19.0044 -8.6160 -8.6007 -8.0978 -8.0722 -7.4386 -7.4375 -2.7136 -2.6992 -2.4684 -2.4521 -2.4292 -2.4276 3.3192 3.3216 4.7239 4.7249 5.0875 5.0972 5.6363 5.6422 5.9271 5.9675 6.6141 6.6266 6.6352 6.6420 7.2026 7.2464 7.6876 7.6890 11.2064 11.2759 12.5822 12.6232 12.8080 12.8459 14.5080 14.5332 k = 0.2250 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4353 -46.4353 -24.0635 -24.0607 -22.0226 -22.0206 -21.9706 -21.9641 -19.0040 -19.0040 -8.6057 -8.5904 -8.0665 -8.0408 -7.4404 -7.4391 -2.7154 -2.7010 -2.4697 -2.4549 -2.4304 -2.4304 3.3170 3.3195 4.6595 4.6603 4.9749 4.9864 5.6292 5.6348 5.9023 5.9407 6.6219 6.6381 6.6437 6.6480 7.1760 7.2170 7.7471 7.7484 11.2833 11.3528 12.5866 12.6239 12.8446 12.8787 14.5331 14.5588 k = 0.2375 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4353 -46.4353 -24.0647 -24.0619 -22.0228 -22.0207 -21.9742 -21.9675 -19.0036 -19.0036 -8.5959 -8.5809 -8.0337 -8.0080 -7.4421 -7.4408 -2.7173 -2.7029 -2.4713 -2.4583 -2.4327 -2.4310 3.3145 3.3172 4.5971 4.5979 4.8623 4.8754 5.6220 5.6273 5.8770 5.9133 6.6284 6.6476 6.6542 6.6565 7.1496 7.1877 7.8041 7.8053 11.3630 11.4322 12.5906 12.6247 12.8830 12.9138 14.5548 14.5811 k = 0.2500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4351 -46.4351 -24.0658 -24.0630 -22.0231 -22.0209 -21.9776 -21.9709 -19.0032 -19.0032 -8.5866 -8.5721 -7.9995 -7.9740 -7.4438 -7.4424 -2.7191 -2.7049 -2.4731 -2.4620 -2.4347 -2.4313 3.3116 3.3146 4.5370 4.5377 4.7505 4.7650 5.6146 5.6197 5.8514 5.8855 6.6346 6.6550 6.6657 6.6675 7.1237 7.1588 7.8584 7.8596 11.4447 11.5134 12.5943 12.6256 12.9231 12.9509 14.5733 14.6001 k = 0.2625 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4350 -46.4350 -24.0670 -24.0642 -22.0235 -22.0212 -21.9810 -21.9742 -19.0028 -19.0028 -8.5779 -8.5639 -7.9644 -7.9392 -7.4455 -7.4440 -2.7210 -2.7070 -2.4752 -2.4660 -2.4362 -2.4312 3.3084 3.3116 4.4792 4.4799 4.6402 4.6557 5.6071 5.6120 5.8256 5.8574 6.6408 6.6619 6.6776 6.6793 7.0987 7.1306 7.9100 7.9111 11.5278 11.5957 12.5977 12.6264 12.9646 12.9898 14.5889 14.6162 k = 0.2750 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4350 -46.4350 -24.0682 -24.0654 -22.0239 -22.0216 -21.9842 -21.9774 -19.0024 -19.0024 -8.5698 -8.5564 -7.9285 -7.9037 -7.4471 -7.4454 -2.7228 -2.7092 -2.4776 -2.4701 -2.4374 -2.4310 3.3048 3.3081 4.4238 4.4244 4.5321 4.5485 5.5996 5.6043 5.7997 5.8294 6.6473 6.6687 6.6896 6.6913 7.0746 7.1035 7.9587 7.9598 11.6116 11.6787 12.6009 12.6273 13.0071 13.0300 14.6018 14.6295 k = 0.2875 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4349 -46.4349 -24.0693 -24.0666 -22.0245 -22.0222 -21.9871 -21.9804 -19.0020 -19.0020 -8.5623 -8.5494 -7.8922 -7.8680 -7.4486 -7.4468 -2.7247 -2.7114 -2.4803 -2.4741 -2.4380 -2.4307 3.3006 3.3042 4.3705 4.3712 4.4271 4.4441 5.5921 5.5966 5.7741 5.8015 6.6539 6.6757 6.7016 6.7031 7.0516 7.0774 8.0046 8.0056 11.6956 11.7616 12.6038 12.6283 13.0506 13.0713 14.6122 14.6402 k = 0.3000 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4348 -46.4348 -24.0705 -24.0678 -22.0251 -22.0229 -21.9899 -21.9833 -19.0016 -19.0016 -8.5552 -8.5430 -7.8558 -7.8323 -7.4500 -7.4480 -2.7265 -2.7137 -2.4831 -2.4782 -2.4384 -2.4303 3.2959 3.2996 4.3159 4.3180 4.3303 4.3450 5.5847 5.5890 5.7488 5.7740 6.6608 6.6828 6.7134 6.7148 7.0299 7.0526 8.0474 8.0484 11.7792 11.8438 12.6066 12.6292 13.0948 13.1135 14.6204 14.6486 k = 0.3125 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4347 -46.4347 -24.0715 -24.0689 -22.0259 -22.0238 -21.9923 -21.9860 -19.0012 -19.0012 -8.5486 -8.5372 -7.8197 -7.7969 -7.4512 -7.4491 -2.7282 -2.7160 -2.4860 -2.4821 -2.4384 -2.4298 3.2903 3.2943 4.2254 4.2412 4.2755 4.2767 5.5774 5.5815 5.7241 5.7471 6.6679 6.6900 6.7249 6.7262 7.0093 7.0291 8.0874 8.0883 11.8618 11.9249 12.6092 12.6302 13.1391 13.1561 14.6266 14.6548 k = 0.3250 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4346 -46.4346 -24.0726 -24.0701 -22.0268 -22.0248 -21.9944 -21.9884 -19.0008 -19.0008 -8.5425 -8.5318 -7.7843 -7.7623 -7.4521 -7.4499 -2.7299 -2.7183 -2.4889 -2.4859 -2.4382 -2.4294 3.2839 3.2880 4.1329 4.1497 4.2302 4.2305 5.5702 5.5742 5.7002 5.7210 6.6752 6.6972 6.7361 6.7372 6.9900 7.0068 8.1243 8.1252 11.9429 12.0041 12.6117 12.6312 13.1833 13.1987 14.6308 14.6589 k = 0.3375 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4345 -46.4345 -24.0736 -24.0712 -22.0278 -22.0260 -21.9963 -21.9906 -19.0005 -19.0005 -8.5369 -8.5270 -7.7498 -7.7287 -7.4528 -7.4504 -2.7315 -2.7206 -2.4918 -2.4895 -2.4377 -2.4289 3.2764 3.2806 4.0456 4.0624 4.1882 4.1883 5.5633 5.5671 5.6772 5.6959 6.6826 6.7046 6.7469 6.7478 6.9718 6.9859 8.1584 8.1592 12.0217 12.0810 12.6141 12.6322 13.2270 13.2409 14.6336 14.6614 k = 0.3500 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4345 -46.4345 -24.0745 -24.0722 -22.0289 -22.0274 -21.9978 -21.9926 -19.0001 -19.0001 -8.5317 -8.5225 -7.7166 -7.6966 -7.4531 -7.4506 -2.7330 -2.7228 -2.4947 -2.4929 -2.4372 -2.4285 3.2677 3.2720 3.9644 3.9809 4.1491 4.1491 5.5566 5.5603 5.6552 5.6719 6.6902 6.7120 6.7571 6.7579 6.9548 6.9662 8.1896 8.1904 12.0979 12.1549 12.6164 12.6332 13.2698 13.2823 14.6349 14.6622 k = 0.3625 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4344 -46.4344 -24.0754 -24.0733 -22.0301 -22.0288 -21.9990 -21.9943 -18.9998 -18.9998 -8.5270 -8.5185 -7.6852 -7.6663 -7.4530 -7.4504 -2.7344 -2.7249 -2.4974 -2.4961 -2.4365 -2.4281 3.2576 3.2618 3.8900 3.9059 4.1129 4.1129 5.5502 5.5538 5.6346 5.6493 6.6979 6.7194 6.7669 6.7674 6.9388 6.9477 8.2180 8.2187 12.1708 12.2252 12.6186 12.6343 13.3113 13.3224 14.6352 14.6617 k = 0.3750 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4344 -46.4344 -24.0762 -24.0742 -22.0313 -22.0303 -22.0000 -21.9958 -18.9995 -18.9995 -8.5226 -8.5150 -7.6559 -7.6381 -7.4523 -7.4496 -2.7357 -2.7270 -2.5000 -2.4990 -2.4357 -2.4278 3.2459 3.2499 3.8231 3.8382 4.0798 4.0798 5.5441 5.5476 5.6154 5.6282 6.7057 6.7269 6.7760 6.7762 6.9239 6.9303 8.2436 8.2442 12.2398 12.2914 12.6208 12.6354 13.3510 13.3609 14.6344 14.6600 k = 0.3875 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4343 -46.4343 -24.0769 -24.0751 -22.0326 -22.0318 -22.0008 -21.9970 -18.9992 -18.9992 -8.5187 -8.5118 -7.6290 -7.6127 -7.4509 -7.4482 -2.7369 -2.7290 -2.5024 -2.5017 -2.4348 -2.4275 3.2326 3.2364 3.7641 3.7782 4.0497 4.0497 5.5383 5.5418 5.5977 5.6088 6.7136 6.7343 6.7844 6.7844 6.9099 6.9141 8.2665 8.2671 12.3044 12.3528 12.6231 12.6367 13.3885 13.3973 14.6330 14.6572 k = 0.4000 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4342 -46.4342 -24.0776 -24.0760 -22.0338 -22.0333 -22.0014 -21.9981 -18.9990 -18.9990 -8.5151 -8.5090 -7.6051 -7.5902 -7.4486 -7.4461 -2.7379 -2.7308 -2.5046 -2.5042 -2.4340 -2.4272 3.2178 3.2212 3.7133 3.7261 4.0226 4.0226 5.5329 5.5364 5.5819 5.5911 6.7216 6.7418 6.7918 6.7921 6.8968 6.8989 8.2868 8.2873 12.3640 12.4089 12.6255 12.6381 13.4235 13.4311 14.6311 14.6537 k = 0.4125 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4341 -46.4341 -24.0782 -24.0767 -22.0350 -22.0347 -22.0018 -21.9990 -18.9987 -18.9987 -8.5120 -8.5066 -7.5843 -7.5711 -7.4453 -7.4431 -2.7388 -2.7325 -2.5066 -2.5063 -2.4331 -2.4270 3.2019 3.2048 3.6708 3.6821 3.9987 3.9987 5.5279 5.5313 5.5679 5.5754 6.7298 6.7493 6.7983 6.7991 6.8844 6.8847 8.3045 8.3050 12.4179 12.4589 12.6283 12.6399 13.4554 13.4619 14.6289 14.6497 k = 0.4250 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4341 -46.4341 -24.0787 -24.0774 -22.0362 -22.0359 -22.0021 -21.9998 -18.9986 -18.9985 -8.5092 -8.5046 -7.5669 -7.5557 -7.4410 -7.4393 -2.7395 -2.7341 -2.5084 -2.5082 -2.4322 -2.4269 3.1854 3.1878 3.6361 3.6458 3.9779 3.9779 5.5231 5.5266 5.5560 5.5617 6.7380 6.7567 6.8040 6.8052 6.8716 6.8729 8.3197 8.3201 12.4655 12.5020 12.6316 12.6421 13.4840 13.4895 14.6267 14.6453 k = 0.4375 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4340 -46.4340 -24.0791 -24.0780 -22.0372 -22.0370 -22.0023 -22.0004 -18.9984 -18.9984 -8.5068 -8.5030 -7.5530 -7.5438 -7.4360 -7.4348 -2.7400 -2.7355 -2.5099 -2.5098 -2.4314 -2.4269 3.1692 3.1710 3.6086 3.6166 3.9602 3.9602 5.5187 5.5222 5.5463 5.5504 6.7462 6.7641 6.8086 6.8104 6.8595 6.8621 8.3325 8.3328 12.5060 12.5372 12.6362 12.6450 13.5088 13.5134 14.6247 14.6408 k = 0.4500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4340 -46.4340 -24.0794 -24.0785 -22.0380 -22.0379 -22.0024 -22.0009 -18.9982 -18.9982 -8.5047 -8.5017 -7.5423 -7.5352 -7.4307 -7.4300 -2.7404 -2.7368 -2.5111 -2.5111 -2.4306 -2.4270 3.1543 3.1556 3.5877 3.5941 3.9458 3.9458 5.5146 5.5180 5.5387 5.5414 6.7545 6.7713 6.8120 6.8147 6.8488 6.8521 8.3429 8.3432 12.5388 12.5637 12.6424 12.6490 13.5297 13.5333 14.6231 14.6363 k = 0.4625 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4339 -46.4339 -24.0796 -24.0790 -22.0387 -22.0387 -22.0024 -22.0013 -18.9981 -18.9981 -8.5031 -8.5008 -7.5345 -7.5293 -7.4257 -7.4254 -2.7406 -2.7379 -2.5121 -2.5121 -2.4299 -2.4271 3.1415 3.1424 3.5725 3.5772 3.9345 3.9345 5.5111 5.5141 5.5333 5.5348 6.7628 6.7779 6.8140 6.8178 6.8398 6.8430 8.3509 8.3511 12.5633 12.5810 12.6503 12.6541 13.5463 13.5490 14.6221 14.6323 k = 0.4750 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4339 -46.4339 -24.0798 -24.0793 -22.0392 -22.0392 -22.0024 -22.0017 -18.9980 -18.9980 -8.5018 -8.5003 -7.5291 -7.5258 -7.4217 -7.4216 -2.7406 -2.7388 -2.5128 -2.5128 -2.4292 -2.4274 3.1318 3.1324 3.5624 3.5655 3.9264 3.9264 5.5085 5.5107 5.5297 5.5305 6.7708 6.7834 6.8142 6.8196 6.8335 6.8353 8.3566 8.3568 12.5798 12.5906 12.6583 12.6596 13.5584 13.5602 14.6218 14.6287 k = 0.4875 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4339 -46.4339 -24.0798 -24.0796 -22.0395 -22.0395 -22.0023 -22.0020 -18.9980 -18.9980 -8.5008 -8.5001 -7.5258 -7.5242 -7.4191 -7.4191 -2.7404 -2.7395 -2.5133 -2.5133 -2.4286 -2.4277 3.1258 3.1260 3.5569 3.5584 3.9216 3.9216 5.5070 5.5082 5.5277 5.5280 6.7782 6.7859 6.8139 6.8187 6.8304 6.8306 8.3601 8.3601 12.5895 12.5945 12.6641 12.6642 13.5659 13.5668 14.6223 14.6258 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4338 -46.4338 -24.0797 -24.0797 -22.0396 -22.0396 -22.0022 -22.0022 -18.9980 -18.9980 -8.5003 -8.5003 -7.5242 -7.5242 -7.4182 -7.4182 -2.7401 -2.7401 -2.5134 -2.5134 -2.4281 -2.4281 3.1238 3.1238 3.5556 3.5556 3.9200 3.9200 5.5069 5.5069 5.5271 5.5271 6.7839 6.7839 6.8157 6.8157 6.8294 6.8294 8.3612 8.3612 12.5941 12.5941 12.6661 12.6661 13.5688 13.5688 14.6236 14.6236 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4338 -46.4338 -24.0797 -24.0797 -22.0396 -22.0396 -22.0022 -22.0022 -18.9980 -18.9980 -8.5003 -8.5003 -7.5242 -7.5242 -7.4182 -7.4182 -2.7401 -2.7401 -2.5134 -2.5134 -2.4281 -2.4281 3.1238 3.1238 3.5556 3.5556 3.9200 3.9200 5.5069 5.5069 5.5271 5.5271 6.7839 6.7839 6.8157 6.8157 6.8294 6.8294 8.3612 8.3612 12.5941 12.5941 12.6661 12.6661 13.5688 13.5688 14.6236 14.6236 k = 0.4911 0.4911-0.0000 ( 2466 PWs) bands (ev): -46.4339 -46.4339 -24.0798 -24.0796 -22.0395 -22.0395 -22.0023 -22.0020 -18.9980 -18.9980 -8.5009 -8.5001 -7.5258 -7.5242 -7.4191 -7.4191 -2.7404 -2.7395 -2.5133 -2.5133 -2.4287 -2.4277 3.1258 3.1261 3.5569 3.5585 3.9216 3.9216 5.5070 5.5082 5.5277 5.5280 6.7781 6.7859 6.8139 6.8190 6.8302 6.8306 8.3600 8.3601 12.5896 12.5944 12.6640 12.6641 13.5659 13.5668 14.6223 14.6258 k = 0.4821 0.4821-0.0000 ( 2470 PWs) bands (ev): -46.4339 -46.4339 -24.0798 -24.0793 -22.0392 -22.0392 -22.0024 -22.0017 -18.9981 -18.9981 -8.5018 -8.5003 -7.5290 -7.5258 -7.4218 -7.4218 -2.7406 -2.7388 -2.5128 -2.5128 -2.4293 -2.4274 3.1322 3.1327 3.5624 3.5655 3.9266 3.9266 5.5085 5.5110 5.5297 5.5304 6.7702 6.7830 6.8150 6.8217 6.8327 6.8342 8.3565 8.3567 12.5808 12.5907 12.6579 12.6582 13.5582 13.5600 14.6218 14.6288 k = 0.4732 0.4732-0.0000 ( 2470 PWs) bands (ev): -46.4340 -46.4340 -24.0796 -24.0790 -22.0387 -22.0387 -22.0024 -22.0014 -18.9981 -18.9981 -8.5031 -8.5008 -7.5339 -7.5290 -7.4264 -7.4263 -2.7406 -2.7379 -2.5121 -2.5121 -2.4299 -2.4271 3.1429 3.1436 3.5722 3.5768 3.9348 3.9348 5.5113 5.5151 5.5332 5.5344 6.7611 6.7763 6.8177 6.8234 6.8372 6.8398 8.3508 8.3510 12.5677 12.5829 12.6477 12.6486 13.5457 13.5484 14.6221 14.6325 k = 0.4643 0.4643-0.0000 ( 2474 PWs) bands (ev): -46.4340 -46.4340 -24.0794 -24.0785 -22.0379 -22.0379 -22.0024 -22.0010 -18.9983 -18.9983 -8.5048 -8.5017 -7.5404 -7.5338 -7.4327 -7.4326 -2.7404 -2.7368 -2.5112 -2.5110 -2.4307 -2.4269 3.1578 3.1588 3.5860 3.5921 3.9464 3.9464 5.5152 5.5205 5.5382 5.5400 6.7510 6.7675 6.8204 6.8247 6.8434 6.8463 8.3427 8.3430 12.5502 12.5711 12.6334 12.6355 13.5284 13.5321 14.6233 14.6369 k = 0.4554 0.4554-0.0000 ( 2468 PWs) bands (ev): -46.4340 -46.4340 -24.0791 -24.0780 -22.0369 -22.0369 -22.0023 -22.0005 -18.9984 -18.9984 -8.5068 -8.5030 -7.5484 -7.5402 -7.4408 -7.4407 -2.7400 -2.7356 -2.5099 -2.5097 -2.4316 -2.4267 3.1770 3.1782 3.6039 3.6115 3.9613 3.9613 5.5202 5.5270 5.5449 5.5473 6.7402 6.7574 6.8229 6.8262 6.8511 6.8535 8.3325 8.3329 12.5284 12.5554 12.6153 12.6192 13.5065 13.5111 14.6251 14.6418 k = 0.4464 0.4464-0.0000 ( 2472 PWs) bands (ev): -46.4341 -46.4341 -24.0786 -24.0773 -22.0358 -22.0357 -22.0021 -22.0000 -18.9986 -18.9986 -8.5091 -8.5046 -7.5581 -7.5482 -7.4507 -7.4504 -2.7395 -2.7343 -2.5085 -2.5080 -2.4325 -2.4267 3.2004 3.2018 3.6258 3.6348 3.9795 3.9795 5.5261 5.5344 5.5535 5.5565 6.7286 6.7462 6.8253 6.8279 6.8599 6.8611 8.3201 8.3206 12.5021 12.5355 12.5935 12.5996 13.4800 13.4855 14.6275 14.6471 k = 0.4375 0.4375-0.0000 ( 2472 PWs) bands (ev): -46.4341 -46.4341 -24.0781 -24.0766 -22.0344 -22.0344 -22.0019 -21.9995 -18.9988 -18.9988 -8.5118 -8.5065 -7.5692 -7.5576 -7.4621 -7.4617 -2.7388 -2.7329 -2.5068 -2.5061 -2.4335 -2.4266 3.2278 3.2296 3.6515 3.6619 4.0011 4.0012 5.5329 5.5426 5.5641 5.5675 6.7164 6.7342 6.8277 6.8299 6.8692 6.8695 8.3057 8.3062 12.4717 12.5114 12.5685 12.5771 13.4490 13.4555 14.6303 14.6526 k = 0.4286 0.4286-0.0000 ( 2468 PWs) bands (ev): -46.4341 -46.4341 -24.0775 -24.0758 -22.0328 -22.0328 -22.0016 -21.9988 -18.9991 -18.9990 -8.5148 -8.5088 -7.5819 -7.5686 -7.4752 -7.4745 -2.7381 -2.7314 -2.5050 -2.5039 -2.4346 -2.4265 3.2594 3.2614 3.6809 3.6927 4.0262 4.0262 5.5405 5.5514 5.5767 5.5804 6.7036 6.7215 6.8304 6.8321 6.8778 6.8799 8.2892 8.2897 12.4371 12.4832 12.5405 12.5517 13.4137 13.4211 14.6335 14.6582 k = 0.4196 0.4196-0.0000 ( 2468 PWs) bands (ev): -46.4342 -46.4342 -24.0768 -24.0749 -22.0310 -22.0310 -22.0012 -21.9982 -18.9993 -18.9993 -8.5181 -8.5114 -7.5960 -7.5810 -7.4898 -7.4889 -2.7372 -2.7298 -2.5030 -2.5014 -2.4357 -2.4264 3.2949 3.2971 3.7139 3.7269 4.0546 4.0547 5.5489 5.5610 5.5913 5.5952 6.6902 6.7081 6.8333 6.8348 6.8870 6.8910 8.2708 8.2714 12.3987 12.4507 12.5098 12.5235 13.3741 13.3824 14.6367 14.6637 k = 0.4107 0.4107-0.0000 ( 2472 PWs) bands (ev): -46.4343 -46.4343 -24.0760 -24.0739 -22.0290 -22.0290 -22.0008 -21.9974 -18.9997 -18.9997 -8.5217 -8.5142 -7.6115 -7.5948 -7.5059 -7.5046 -2.7362 -2.7283 -2.5009 -2.4987 -2.4368 -2.4263 3.3342 3.3368 3.7504 3.7645 4.0866 4.0868 5.5581 5.5712 5.6077 5.6117 6.6763 6.6942 6.8366 6.8378 6.8968 6.9029 8.2506 8.2512 12.3567 12.4141 12.4765 12.4926 13.3304 13.3397 14.6399 14.6688 k = 0.4018 0.4018-0.0000 ( 2480 PWs) bands (ev): -46.4345 -46.4345 -24.0752 -24.0729 -22.0269 -22.0268 -22.0003 -21.9967 -19.0001 -19.0000 -8.5255 -8.5174 -7.6284 -7.6100 -7.5233 -7.5216 -2.7353 -2.7268 -2.4988 -2.4959 -2.4380 -2.4262 3.3773 3.3801 3.7900 3.8052 4.1220 4.1224 5.5680 5.5821 5.6260 5.6300 6.6621 6.6799 6.8402 6.8412 6.9073 6.9156 8.2286 8.2294 12.3114 12.3735 12.4410 12.4589 13.2828 13.2930 14.6429 14.6736 k = 0.3929 0.3929-0.0000 ( 2482 PWs) bands (ev): -46.4346 -46.4346 -24.0742 -24.0717 -22.0245 -22.0244 -21.9998 -21.9959 -19.0005 -19.0004 -8.5295 -8.5208 -7.6465 -7.6264 -7.5419 -7.5399 -2.7342 -2.7253 -2.4966 -2.4929 -2.4391 -2.4260 3.4241 3.4272 3.8326 3.8487 4.1611 4.1616 5.5786 5.5937 5.6460 5.6500 6.6476 6.6653 6.8441 6.8451 6.9186 6.9291 8.2050 8.2059 12.2630 12.3294 12.4031 12.4227 13.2314 13.2427 14.6456 14.6777 k = 0.3839 0.3839-0.0000 ( 2482 PWs) bands (ev): -46.4347 -46.4347 -24.0731 -24.0705 -22.0220 -22.0219 -21.9991 -21.9950 -19.0009 -19.0009 -8.5338 -8.5244 -7.6660 -7.6442 -7.5617 -7.5593 -2.7332 -2.7239 -2.4945 -2.4898 -2.4401 -2.4256 3.4744 3.4777 3.8780 3.8950 4.2038 4.2045 5.5899 5.6060 5.6677 5.6717 6.6329 6.6505 6.8485 6.8493 6.9307 6.9434 8.1800 8.1809 12.2118 12.2819 12.3630 12.3839 13.1765 13.1887 14.6477 14.6811 k = 0.3750 0.3750-0.0000 ( 2474 PWs) bands (ev): -46.4347 -46.4347 -24.0720 -24.0692 -22.0193 -22.0192 -21.9985 -21.9941 -19.0014 -19.0013 -8.5383 -8.5282 -7.6865 -7.6631 -7.5826 -7.5796 -2.7322 -2.7225 -2.4924 -2.4867 -2.4410 -2.4252 3.5280 3.5317 3.9260 3.9436 4.2502 4.2512 5.6019 5.6190 5.6911 5.6950 6.6183 6.6357 6.8533 6.8540 6.9436 6.9586 8.1536 8.1545 12.1581 12.2315 12.3206 12.3427 13.1182 13.1314 14.6491 14.6836 k = 0.3661 0.3661-0.0000 ( 2480 PWs) bands (ev): -46.4349 -46.4349 -24.0708 -24.0679 -22.0165 -22.0163 -21.9977 -21.9932 -19.0019 -19.0019 -8.5429 -8.5322 -7.7082 -7.6832 -7.6044 -7.6010 -2.7312 -2.7212 -2.4905 -2.4837 -2.4418 -2.4246 3.5849 3.5889 3.9763 3.9943 4.3003 4.3017 5.6145 5.6326 5.7159 5.7198 6.6038 6.6209 6.8586 6.8593 6.9573 6.9746 8.1259 8.1269 12.1021 12.1784 12.2760 12.2992 13.0567 13.0708 14.6497 14.6851 k = 0.3571 0.3571-0.0000 ( 2476 PWs) bands (ev): -46.4349 -46.4349 -24.0696 -24.0664 -22.0135 -22.0133 -21.9969 -21.9922 -19.0025 -19.0024 -8.5478 -8.5365 -7.7308 -7.7043 -7.6270 -7.6231 -2.7302 -2.7200 -2.4887 -2.4809 -2.4423 -2.4238 3.6450 3.6493 4.0287 4.0470 4.3541 4.3560 5.6276 5.6468 5.7423 5.7462 6.5895 6.6065 6.8643 6.8650 6.9720 6.9915 8.0971 8.0982 12.0441 12.1231 12.2293 12.2534 12.9923 13.0073 14.6492 14.6853 k = 0.3482 0.3482-0.0000 ( 2464 PWs) bands (ev): -46.4349 -46.4349 -24.0682 -24.0650 -22.0105 -22.0101 -21.9959 -21.9911 -19.0031 -19.0030 -8.5527 -8.5408 -7.7544 -7.7264 -7.6502 -7.6460 -2.7293 -2.7190 -2.4872 -2.4784 -2.4425 -2.4229 3.7079 3.7126 4.0830 4.1014 4.4116 4.4141 5.6414 5.6615 5.7701 5.7740 6.5756 6.5924 6.8707 6.8713 6.9876 7.0093 8.0674 8.0685 11.9845 12.0657 12.1804 12.2054 12.9250 12.9410 14.6478 14.6844 k = 0.3393 0.3393-0.0000 ( 2464 PWs) bands (ev): -46.4350 -46.4350 -24.0668 -24.0634 -22.0073 -22.0068 -21.9949 -21.9900 -19.0038 -19.0036 -8.5578 -8.5454 -7.7788 -7.7495 -7.6741 -7.6695 -2.7285 -2.7181 -2.4859 -2.4763 -2.4424 -2.4218 3.7737 3.7786 4.1390 4.1574 4.4729 4.4760 5.6556 5.6768 5.7993 5.8031 6.5623 6.5788 6.8776 6.8782 7.0040 7.0279 8.0368 8.0380 11.9233 12.0066 12.1296 12.1554 12.8550 12.8720 14.6452 14.6822 k = 0.3304 0.3304-0.0000 ( 2464 PWs) bands (ev): -46.4351 -46.4351 -24.0654 -24.0619 -22.0041 -22.0034 -21.9938 -21.9889 -19.0045 -19.0043 -8.5631 -8.5501 -7.8039 -7.7734 -7.6985 -7.6935 -2.7278 -2.7173 -2.4848 -2.4747 -2.4419 -2.4207 3.8421 3.8473 4.1965 4.2147 4.5377 4.5416 5.6703 5.6925 5.8297 5.8335 6.5497 6.5659 6.8852 6.8858 7.0214 7.0474 8.0056 8.0068 11.8610 11.9461 12.0769 12.1036 12.7826 12.8005 14.6413 14.6785 k = 0.3214 0.3214-0.0000 ( 2462 PWs) bands (ev): -46.4352 -46.4352 -24.0638 -24.0602 -22.0009 -21.9998 -21.9925 -21.9878 -19.0052 -19.0050 -8.5684 -8.5549 -7.8296 -7.7980 -7.7233 -7.7180 -2.7271 -2.7166 -2.4840 -2.4737 -2.4409 -2.4195 3.9129 3.9185 4.2554 4.2732 4.6061 4.6108 5.6855 5.7087 5.8613 5.8650 6.5378 6.5538 6.8934 6.8941 7.0396 7.0677 7.9738 7.9750 11.7976 11.8845 12.0225 12.0499 12.7079 12.7267 14.6360 14.6733 k = 0.3125 0.3125-0.0000 ( 2458 PWs) bands (ev): -46.4352 -46.4352 -24.0623 -24.0586 -21.9978 -21.9962 -21.9908 -21.9865 -19.0060 -19.0058 -8.5739 -8.5599 -7.8557 -7.8232 -7.7483 -7.7429 -2.7266 -2.7161 -2.4834 -2.4732 -2.4396 -2.4183 3.9860 3.9919 4.3156 4.3329 4.6779 4.6834 5.7011 5.7253 5.8940 5.8976 6.5269 6.5426 6.9024 6.9031 7.0586 7.0888 7.9416 7.9428 11.7336 11.8219 11.9665 11.9947 12.6311 12.6508 14.6293 14.6665 k = 0.3036 0.3036-0.0000 ( 2472 PWs) bands (ev): -46.4356 -46.4356 -24.0607 -24.0569 -21.9952 -21.9926 -21.9887 -21.9853 -19.0068 -19.0066 -8.5794 -8.5650 -7.8822 -7.8490 -7.7736 -7.7680 -2.7262 -2.7157 -2.4831 -2.4732 -2.4381 -2.4172 4.0611 4.0674 4.3770 4.3936 4.7529 4.7592 5.7170 5.7423 5.9276 5.9312 6.5170 6.5323 6.9122 6.9129 7.0785 7.1106 7.9091 7.9104 11.6690 11.7586 11.9090 11.9379 12.5523 12.5729 14.6211 14.6582 k = 0.2946 0.2946-0.0000 ( 2474 PWs) bands (ev): -46.4357 -46.4357 -24.0591 -24.0552 -21.9930 -21.9890 -21.9859 -21.9838 -19.0077 -19.0075 -8.5851 -8.5702 -7.9090 -7.8751 -7.7989 -7.7934 -2.7258 -2.7155 -2.4829 -2.4735 -2.4365 -2.4161 4.1381 4.1447 4.4395 4.4554 4.8310 4.8381 5.7334 5.7596 5.9620 5.9655 6.5082 6.5233 6.9229 6.9236 7.0991 7.1331 7.8766 7.8779 11.6042 11.6950 11.8502 11.8799 12.4718 12.4933 14.6114 14.6482 k = 0.2857 0.2857-0.0000 ( 2470 PWs) bands (ev): -46.4358 -46.4358 -24.0574 -24.0535 -21.9913 -21.9858 -21.9826 -21.9819 -19.0086 -19.0083 -8.5908 -8.5756 -7.9358 -7.9014 -7.8244 -7.8188 -2.7256 -2.7154 -2.4829 -2.4741 -2.4350 -2.4152 4.2167 4.2237 4.5031 4.5181 4.9120 4.9198 5.7500 5.7773 5.9971 6.0006 6.5007 6.5154 6.9345 6.9353 7.1204 7.1563 7.8441 7.8454 11.5394 11.6312 11.7902 11.8207 12.3897 12.4120 14.6003 14.6367 k = 0.2768 0.2768-0.0000 ( 2464 PWs) bands (ev): -46.4358 -46.4358 -24.0557 -24.0517 -21.9898 -21.9835 -21.9790 -21.9790 -19.0095 -19.0093 -8.5967 -8.5811 -7.9626 -7.9279 -7.8498 -7.8443 -2.7254 -2.7154 -2.4830 -2.4748 -2.4335 -2.4146 4.2968 4.3041 4.5676 4.5816 4.9956 5.0041 5.7669 5.7952 6.0327 6.0361 6.4946 6.5088 6.9470 6.9479 7.1424 7.1799 7.8118 7.8131 11.4748 11.5676 11.7293 11.7606 12.3061 12.3294 14.5875 14.6235 k = 0.2679 0.2679-0.0000 ( 2464 PWs) bands (ev): -46.4360 -46.4359 -24.0539 -24.0500 -21.9884 -21.9818 -21.9754 -21.9752 -19.0105 -19.0102 -8.6027 -8.5868 -7.9892 -7.9544 -7.8751 -7.8698 -2.7254 -2.7156 -2.4832 -2.4757 -2.4323 -2.4142 4.3780 4.3857 4.6329 4.6460 5.0816 5.0907 5.7841 5.8133 6.0686 6.0720 6.4898 6.5036 6.9607 6.9617 7.1649 7.2041 7.7799 7.7811 11.4106 11.5043 11.6676 11.6997 12.2212 12.2453 14.5733 14.6087 k = 0.2589 0.2589-0.0000 ( 2464 PWs) bands (ev): -46.4361 -46.4361 -24.0522 -24.0482 -21.9870 -21.9804 -21.9716 -21.9712 -19.0115 -19.0112 -8.6088 -8.5927 -8.0156 -7.9806 -7.9003 -7.8951 -2.7255 -2.7159 -2.4836 -2.4767 -2.4314 -2.4141 4.4602 4.4682 4.6992 4.7111 5.1698 5.1794 5.8015 5.8317 6.1048 6.1081 6.4866 6.4998 6.9754 6.9766 7.1878 7.2285 7.7484 7.7497 11.3472 11.4415 11.6054 11.6382 12.1351 12.1601 14.5575 14.5923 k = 0.2500 0.2500-0.0000 ( 2464 PWs) bands (ev): -46.4362 -46.4362 -24.0504 -24.0464 -21.9857 -21.9790 -21.9675 -21.9672 -19.0125 -19.0122 -8.6151 -8.5988 -8.0414 -8.0066 -7.9253 -7.9203 -2.7257 -2.7163 -2.4840 -2.4777 -2.4308 -2.4144 4.5430 4.5515 4.7662 4.7769 5.2599 5.2699 5.8191 5.8503 6.1408 6.1441 6.4849 6.4976 6.9913 6.9927 7.2110 7.2532 7.7176 7.7188 11.2846 11.3796 11.5428 11.5763 12.0480 12.0739 14.5402 14.5744 k = 0.2411 0.2411-0.0000 ( 2458 PWs) bands (ev): -46.4363 -46.4363 -24.0486 -24.0447 -21.9844 -21.9778 -21.9635 -21.9632 -19.0136 -19.0132 -8.6215 -8.6051 -8.0668 -8.0322 -7.9500 -7.9453 -2.7260 -2.7169 -2.4844 -2.4787 -2.4307 -2.4150 4.6262 4.6351 4.8339 4.8434 5.3518 5.3620 5.8369 5.8690 6.1767 6.1799 6.4849 6.4970 7.0084 7.0100 7.2344 7.2779 7.6877 7.6888 11.2231 11.3187 11.4800 11.5142 11.9599 11.9868 14.5215 14.5549 k = 0.2321 0.2321-0.0000 ( 2464 PWs) bands (ev): -46.4365 -46.4365 -24.0469 -24.0429 -21.9831 -21.9765 -21.9594 -21.9591 -19.0147 -19.0143 -8.6282 -8.6117 -8.0914 -8.0571 -7.9744 -7.9699 -2.7265 -2.7176 -2.4849 -2.4798 -2.4309 -2.4160 4.7095 4.7189 4.9022 4.9103 5.4450 5.4553 5.8548 5.8880 6.2121 6.2152 6.4866 6.4980 7.0267 7.0286 7.2578 7.3025 7.6587 7.6597 11.1630 11.2590 11.4172 11.4522 11.8711 11.8990 14.5014 14.5340 k = 0.2232 0.2232-0.0000 ( 2464 PWs) bands (ev): -46.4366 -46.4366 -24.0451 -24.0412 -21.9818 -21.9753 -21.9553 -21.9550 -19.0158 -19.0154 -8.6350 -8.6185 -8.1152 -8.0814 -7.9984 -7.9942 -2.7270 -2.7184 -2.4854 -2.4807 -2.4316 -2.4174 4.7926 4.8024 4.9711 4.9778 5.5394 5.5495 5.8728 5.9073 6.2468 6.2500 6.4900 6.5007 7.0462 7.0484 7.2812 7.3269 7.6309 7.6317 11.1044 11.2007 11.3549 11.3905 11.7816 11.8106 14.4800 14.5118 k = 0.2143 0.2143-0.0000 ( 2452 PWs) bands (ev): -46.4366 -46.4366 -24.0433 -24.0395 -21.9805 -21.9741 -21.9512 -21.9510 -19.0169 -19.0165 -8.6420 -8.6257 -8.1381 -8.1049 -8.0220 -8.0181 -2.7276 -2.7193 -2.4858 -2.4817 -2.4326 -2.4192 4.8751 4.8854 5.0406 5.0456 5.6344 5.6439 5.8913 5.9273 6.2808 6.2839 6.4953 6.5051 7.0668 7.0694 7.3042 7.3508 7.6044 7.6051 11.0475 11.1442 11.2931 11.3293 11.6917 11.7218 14.4573 14.4882 k = 0.2054 0.2054-0.0000 ( 2444 PWs) bands (ev): -46.4366 -46.4366 -24.0416 -24.0378 -21.9792 -21.9730 -21.9471 -21.9469 -19.0180 -19.0176 -8.6493 -8.6332 -8.1599 -8.1275 -8.0451 -8.0414 -2.7284 -2.7203 -2.4863 -2.4826 -2.4340 -2.4214 4.9567 4.9674 5.1104 5.1139 5.7292 5.7372 5.9106 5.9489 6.3139 6.3169 6.5024 6.5112 7.0883 7.0914 7.3267 7.3742 7.5796 7.5800 10.9926 11.0894 11.2321 11.2688 11.6013 11.6328 14.4335 14.4635 k = 0.1964 0.1964-0.0000 ( 2444 PWs) bands (ev): -46.4367 -46.4367 -24.0399 -24.0361 -21.9779 -21.9718 -21.9431 -21.9430 -19.0191 -19.0187 -8.6568 -8.6410 -8.1806 -8.1490 -8.0676 -8.0643 -2.7292 -2.7214 -2.4868 -2.4834 -2.4359 -2.4239 5.0369 5.0479 5.1805 5.1824 5.8211 5.8264 5.9333 5.9749 6.3459 6.3489 6.5114 6.5192 7.1104 7.1142 7.3486 7.3967 7.5566 7.5568 10.9396 11.0367 11.1723 11.2093 11.5108 11.5438 14.4086 14.4376 k = 0.1875 0.1875-0.0000 ( 2446 PWs) bands (ev): -46.4369 -46.4369 -24.0382 -24.0345 -21.9767 -21.9707 -21.9392 -21.9390 -19.0203 -19.0199 -8.6646 -8.6492 -8.2001 -8.1695 -8.0896 -8.0865 -2.7302 -2.7227 -2.4872 -2.4842 -2.4381 -2.4268 5.1154 5.1266 5.2509 5.2512 5.8973 5.9022 5.9718 6.0143 6.3768 6.3799 6.5222 6.5289 7.1328 7.1373 7.3695 7.4182 7.5356 7.5359 10.8889 10.9860 11.1140 11.1510 11.4203 11.4550 14.3827 14.4108 k = 0.1786 0.1786-0.0000 ( 2446 PWs) bands (ev): -46.4370 -46.4370 -24.0365 -24.0329 -21.9754 -21.9696 -21.9353 -21.9352 -19.0214 -19.0210 -8.6726 -8.6577 -8.2183 -8.1888 -8.1108 -8.1080 -2.7312 -2.7240 -2.4876 -2.4850 -2.4406 -2.4300 5.1918 5.2030 5.3202 5.3214 5.9367 5.9508 6.0469 6.0806 6.4066 6.4097 6.5348 6.5404 7.1549 7.1604 7.3893 7.4385 7.5171 7.5177 10.8404 10.9375 11.0574 11.0942 11.3301 11.3668 14.3560 14.3831 k = 0.1696 0.1696-0.0000 ( 2446 PWs) bands (ev): -46.4371 -46.4371 -24.0349 -24.0314 -21.9742 -21.9686 -21.9315 -21.9314 -19.0225 -19.0221 -8.6809 -8.6666 -8.2351 -8.2069 -8.1314 -8.1289 -2.7323 -2.7255 -2.4880 -2.4857 -2.4434 -2.4335 5.2657 5.2766 5.3892 5.3917 5.9584 5.9790 6.1391 6.1667 6.4355 6.4384 6.5492 6.5537 7.1761 7.1827 7.4075 7.4573 7.5017 7.5026 10.7942 10.8910 11.0030 11.0389 11.2405 11.2797 14.3287 14.3546 k = 0.1607 0.1607-0.0000 ( 2444 PWs) bands (ev): -46.4372 -46.4372 -24.0333 -24.0299 -21.9730 -21.9676 -21.9279 -21.9278 -19.0236 -19.0232 -8.6893 -8.6757 -8.2507 -8.2238 -8.1513 -8.1489 -2.7335 -2.7270 -2.4883 -2.4863 -2.4464 -2.4371 5.3369 5.3470 5.4581 5.4616 5.9756 5.9993 6.2349 6.2598 6.4634 6.4663 6.5653 6.5686 7.1955 7.2034 7.4239 7.4743 7.4902 7.4913 10.7502 10.8465 10.9511 10.9854 11.1519 11.1942 14.3008 14.3256 k = 0.1518 0.1518-0.0000 ( 2452 PWs) bands (ev): -46.4374 -46.4374 -24.0318 -24.0285 -21.9718 -21.9666 -21.9243 -21.9243 -19.0247 -19.0243 -8.6979 -8.6851 -8.2648 -8.2394 -8.1703 -8.1682 -2.7348 -2.7286 -2.4887 -2.4869 -2.4496 -2.4410 5.4051 5.4141 5.5264 5.5305 5.9910 6.0162 6.3313 6.3550 6.4907 6.4936 6.5829 6.5852 7.2122 7.2214 7.4374 7.4824 7.4841 7.4914 10.7082 10.8034 10.9021 10.9334 11.0650 11.1113 14.2724 14.2962 k = 0.1429 0.1429-0.0000 ( 2452 PWs) bands (ev): -46.4375 -46.4375 -24.0303 -24.0272 -21.9707 -21.9657 -21.9209 -21.9208 -19.0258 -19.0254 -8.7066 -8.6946 -8.2777 -8.2537 -8.1885 -8.1866 -2.7361 -2.7303 -2.4890 -2.4874 -2.4530 -2.4450 5.4702 5.4777 5.5936 5.5980 6.0054 6.0312 6.4269 6.4503 6.5175 6.5207 6.6021 6.6033 7.2254 7.2360 7.4473 7.4803 7.4844 7.5043 10.6677 10.7609 10.8566 10.8828 10.9810 11.0323 14.2439 14.2665 k = 0.1339 0.1339-0.0000 ( 2452 PWs) bands (ev): -46.4376 -46.4376 -24.0289 -24.0259 -21.9696 -21.9648 -21.9176 -21.9176 -19.0268 -19.0264 -8.7154 -8.7043 -8.2892 -8.2668 -8.2058 -8.2041 -2.7374 -2.7320 -2.4892 -2.4879 -2.4564 -2.4490 5.5321 5.5377 5.6590 5.6634 6.0190 6.0450 6.5177 6.5419 6.5469 6.5513 6.6229 6.6232 7.2346 7.2463 7.4543 7.4822 7.4907 7.5158 10.6278 10.7171 10.8150 10.8328 10.9015 10.9593 14.2153 14.2368 k = 0.1250 0.1250-0.0000 ( 2448 PWs) bands (ev): -46.4376 -46.4376 -24.0275 -24.0247 -21.9685 -21.9640 -21.9145 -21.9145 -19.0278 -19.0274 -8.7242 -8.7139 -8.2994 -8.2787 -8.2222 -8.2207 -2.7388 -2.7337 -2.4894 -2.4883 -2.4599 -2.4531 5.5905 5.5941 5.7221 5.7263 6.0319 6.0579 6.5672 6.5704 6.6207 6.6297 6.6448 6.6536 7.2399 7.2524 7.4604 7.4882 7.5002 7.5252 10.5871 10.6692 10.7778 10.7831 10.8296 10.8949 14.1869 14.2072 k = 0.1161 0.1161-0.0000 ( 2452 PWs) bands (ev): -46.4378 -46.4378 -24.0262 -24.0236 -21.9675 -21.9633 -21.9115 -21.9115 -19.0288 -19.0284 -8.7328 -8.7235 -8.3085 -8.2895 -8.2376 -8.2363 -2.7402 -2.7355 -2.4896 -2.4887 -2.4633 -2.4571 5.6453 5.6468 5.7821 5.7859 6.0444 6.0700 6.5953 6.5972 6.6627 6.6641 6.7133 6.7352 7.2418 7.2548 7.4668 7.4972 7.5107 7.5325 10.5435 10.6139 10.7343 10.7452 10.7689 10.8408 14.1589 14.1779 k = 0.1071 0.1071-0.0000 ( 2453 PWs) bands (ev): -46.4379 -46.4379 -24.0250 -24.0225 -21.9665 -21.9626 -21.9087 -21.9087 -19.0297 -19.0293 -8.7413 -8.7328 -8.3165 -8.2991 -8.2521 -8.2510 -2.7416 -2.7373 -2.4898 -2.4891 -2.4667 -2.4611 5.6956 5.6961 5.8387 5.8419 6.0564 6.0815 6.6224 6.6243 6.6864 6.6869 6.8023 6.8243 7.2412 7.2545 7.4730 7.5079 7.5216 7.5378 10.4948 10.5503 10.6893 10.7155 10.7226 10.7968 14.1315 14.1492 k = 0.0982 0.0982-0.0000 ( 2453 PWs) bands (ev): -46.4380 -46.4380 -24.0238 -24.0215 -21.9655 -21.9619 -21.9061 -21.9061 -19.0305 -19.0302 -8.7494 -8.7419 -8.3234 -8.3076 -8.2655 -8.2645 -2.7430 -2.7390 -2.4899 -2.4894 -2.4699 -2.4649 5.7403 5.7429 5.8912 5.8936 6.0683 6.0925 6.6498 6.6518 6.7100 6.7100 6.8888 6.9113 7.2390 7.2523 7.4781 7.5191 7.5321 7.5412 10.4399 10.4809 10.6512 10.6812 10.6960 10.7613 14.1048 14.1213 k = 0.0893 0.0893-0.0000 ( 2461 PWs) bands (ev): -46.4381 -46.4381 -24.0228 -24.0206 -21.9647 -21.9613 -21.9037 -21.9037 -19.0313 -19.0310 -8.7573 -8.7506 -8.3294 -8.3152 -8.2778 -8.2770 -2.7443 -2.7407 -2.4901 -2.4897 -2.4731 -2.4686 5.7808 5.7851 5.9394 5.9409 6.0800 6.1030 6.6776 6.6798 6.7332 6.7336 6.9718 6.9948 7.2360 7.2492 7.4817 7.5296 7.5420 7.5429 10.3801 10.4095 10.6211 10.6515 10.6767 10.7324 14.0793 14.0944 k = 0.0804 0.0804-0.0000 ( 2465 PWs) bands (ev): -46.4383 -46.4383 -24.0218 -24.0198 -21.9638 -21.9608 -21.9015 -21.9015 -19.0321 -19.0318 -8.7646 -8.7587 -8.3345 -8.3219 -8.2890 -8.2884 -2.7456 -2.7424 -2.4902 -2.4900 -2.4759 -2.4721 5.8169 5.8227 5.9829 5.9835 6.0917 6.1130 6.7057 6.7081 6.7565 6.7571 7.0503 7.0739 7.2326 7.2456 7.4839 7.5379 7.5441 7.5506 10.3178 10.3386 10.5981 10.6274 10.6613 10.7089 14.0551 14.0689 k = 0.0714 0.0714-0.0000 ( 2467 PWs) bands (ev): -46.4384 -46.4384 -24.0209 -24.0191 -21.9631 -21.9604 -21.8995 -21.8995 -19.0328 -19.0325 -8.7714 -8.7663 -8.3387 -8.3277 -8.2992 -8.2987 -2.7468 -2.7440 -2.4903 -2.4903 -2.4786 -2.4753 5.8486 5.8554 6.0214 6.0218 6.1032 6.1226 6.7339 6.7363 6.7795 6.7800 7.1233 7.1477 7.2294 7.2421 7.4849 7.5403 7.5485 7.5577 10.2555 10.2704 10.5809 10.6079 10.6492 10.6898 14.0325 14.0449 k = 0.0625 0.0625-0.0000 ( 2469 PWs) bands (ev): -46.4384 -46.4384 -24.0200 -24.0185 -21.9624 -21.9600 -21.8978 -21.8977 -19.0334 -19.0331 -8.7776 -8.7732 -8.3422 -8.3327 -8.3082 -8.3078 -2.7479 -2.7454 -2.4906 -2.4904 -2.4809 -2.4782 5.8759 5.8831 6.0544 6.0559 6.1147 6.1316 6.7614 6.7639 6.8018 6.8021 7.1893 7.2145 7.2268 7.2390 7.4855 7.5396 7.5538 7.5629 10.1956 10.2061 10.5681 10.5923 10.6399 10.6744 14.0118 14.0228 k = 0.0536 0.0536-0.0000 ( 2469 PWs) bands (ev): -46.4385 -46.4385 -24.0193 -24.0180 -21.9617 -21.9597 -21.8962 -21.8962 -19.0339 -19.0337 -8.7830 -8.7794 -8.3450 -8.3370 -8.3160 -8.3158 -2.7489 -2.7468 -2.4908 -2.4904 -2.4829 -2.4808 5.8988 5.9060 6.0828 6.0852 6.1257 6.1399 6.7875 6.7902 6.8229 6.8231 7.2231 7.2353 7.2492 7.2741 7.4869 7.5387 7.5575 7.5663 10.1397 10.1471 10.5589 10.5799 10.6332 10.6621 13.9932 14.0027 k = 0.0446 0.0446-0.0000 ( 2473 PWs) bands (ev): -46.4386 -46.4386 -24.0187 -24.0175 -21.9612 -21.9594 -21.8949 -21.8949 -19.0343 -19.0342 -8.7877 -8.7848 -8.3472 -8.3407 -8.3228 -8.3226 -2.7498 -2.7480 -2.4911 -2.4905 -2.4845 -2.4831 5.9176 5.9242 6.1066 6.1099 6.1361 6.1472 6.8114 6.8143 6.8420 6.8429 7.2220 7.2329 7.2975 7.3223 7.4904 7.5388 7.5601 7.5684 10.0894 10.0946 10.5525 10.5702 10.6286 10.6525 13.9769 13.9846 k = 0.0357 0.0357-0.0000 ( 2473 PWs) bands (ev): -46.4386 -46.4386 -24.0181 -24.0172 -21.9607 -21.9593 -21.8938 -21.8938 -19.0347 -19.0346 -8.7916 -8.7893 -8.3488 -8.3436 -8.3283 -8.3282 -2.7504 -2.7490 -2.4914 -2.4907 -2.4858 -2.4849 5.9325 5.9382 6.1260 6.1299 6.1456 6.1534 6.8322 6.8353 6.8591 6.8607 7.2212 7.2307 7.3357 7.3578 7.4978 7.5400 7.5622 7.5695 10.0460 10.0496 10.5484 10.5627 10.6259 10.6449 13.9416 13.9496 k = 0.0268 0.0268-0.0000 ( 2493 PWs) bands (ev): -46.4389 -46.4389 -24.0177 -24.0170 -21.9602 -21.9592 -21.8929 -21.8929 -19.0350 -19.0349 -8.7946 -8.7929 -8.3499 -8.3460 -8.3326 -8.3326 -2.7510 -2.7499 -2.4917 -2.4909 -2.4868 -2.4864 5.9439 5.9484 6.1407 6.1453 6.1539 6.1582 6.8491 6.8521 6.8737 6.8757 7.2211 7.2288 7.3629 7.3801 7.5090 7.5414 7.5651 7.5705 10.0108 10.0132 10.5461 10.5570 10.6247 10.6389 13.9019 13.9084 k = 0.0179 0.0179-0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0173 -24.0169 -21.9599 -21.9592 -21.8923 -21.8923 -19.0352 -19.0351 -8.7967 -8.7956 -8.3504 -8.3479 -8.3358 -8.3358 -2.7513 -2.7506 -2.4919 -2.4912 -2.4875 -2.4873 5.9521 5.9551 6.1510 6.1560 6.1606 6.1617 6.8617 6.8641 6.8852 6.8871 7.2216 7.2271 7.3804 7.3914 7.5210 7.5415 7.5692 7.5721 9.9849 9.9863 10.5454 10.5526 10.6247 10.6343 13.8735 13.8780 k = 0.0089 0.0089-0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0171 -24.0168 -21.9596 -21.9593 -21.8920 -21.8920 -19.0353 -19.0353 -8.7978 -8.7973 -8.3505 -8.3492 -8.3377 -8.3377 -2.7515 -2.7511 -2.4919 -2.4915 -2.4878 -2.4878 5.9572 5.9588 6.1574 6.1608 6.1648 6.1652 6.8697 6.8710 6.8929 6.8939 7.2227 7.2255 7.3904 7.3956 7.5304 7.5399 7.5730 7.5739 9.9692 9.9698 10.5457 10.5494 10.6258 10.6306 13.8568 13.8591 k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0169 -24.0169 -21.9594 -21.9594 -21.8918 -21.8918 -19.0353 -19.0353 -8.7981 -8.7981 -8.3501 -8.3501 -8.3383 -8.3383 -2.7514 -2.7514 -2.4918 -2.4918 -2.4880 -2.4880 5.9594 5.9594 6.1606 6.1606 6.1666 6.1666 6.8729 6.8729 6.8959 6.8959 7.2240 7.2240 7.3951 7.3951 7.5365 7.5365 7.5747 7.5747 9.9641 9.9641 10.5471 10.5471 10.6278 10.6278 13.8520 13.8520 k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0169 -24.0169 -21.9594 -21.9594 -21.8918 -21.8918 -19.0353 -19.0353 -8.7981 -8.7981 -8.3501 -8.3501 -8.3383 -8.3383 -2.7514 -2.7514 -2.4918 -2.4918 -2.4880 -2.4880 5.9594 5.9594 6.1606 6.1606 6.1666 6.1666 6.8729 6.8729 6.8959 6.8959 7.2240 7.2240 7.3951 7.3951 7.5365 7.5365 7.5747 7.5747 9.9641 9.9641 10.5471 10.5471 10.6278 10.6278 13.8520 13.8520 k = 0.0000 0.0000 0.0126 ( 2501 PWs) bands (ev): -46.4391 -46.4391 -24.0169 -24.0169 -21.9595 -21.9595 -21.8918 -21.8918 -19.0353 -19.0353 -8.7975 -8.7975 -8.3494 -8.3494 -8.3383 -8.3383 -2.7513 -2.7513 -2.4916 -2.4916 -2.4879 -2.4879 5.9575 5.9575 6.1575 6.1575 6.1657 6.1657 6.8710 6.8710 6.8942 6.8942 7.2233 7.2233 7.3913 7.3913 7.5366 7.5366 7.5750 7.5750 9.9642 9.9642 10.5507 10.5507 10.6313 10.6313 13.8520 13.8520 k = 0.0000 0.0000 0.0252 ( 2493 PWs) bands (ev): -46.4390 -46.4390 -24.0171 -24.0171 -21.9599 -21.9599 -21.8918 -21.8918 -19.0352 -19.0352 -8.7960 -8.7960 -8.3473 -8.3473 -8.3382 -8.3382 -2.7509 -2.7509 -2.4911 -2.4911 -2.4878 -2.4878 5.9517 5.9517 6.1484 6.1484 6.1629 6.1629 6.8657 6.8657 6.8891 6.8891 7.2212 7.2212 7.3800 7.3800 7.5371 7.5371 7.5760 7.5760 9.9648 9.9648 10.5613 10.5613 10.6419 10.6419 13.8522 13.8522 k = 0.0000 0.0000 0.0378 ( 2497 PWs) bands (ev): -46.4390 -46.4390 -24.0173 -24.0173 -21.9606 -21.9606 -21.8918 -21.8918 -19.0350 -19.0350 -8.7936 -8.7936 -8.3438 -8.3438 -8.3380 -8.3380 -2.7504 -2.7504 -2.4903 -2.4903 -2.4875 -2.4875 5.9413 5.9413 6.1337 6.1337 6.1581 6.1581 6.8568 6.8568 6.8808 6.8808 7.2177 7.2177 7.3614 7.3614 7.5379 7.5379 7.5777 7.5777 9.9657 9.9657 10.5789 10.5789 10.6593 10.6593 13.8524 13.8524 k = 0.0000 0.0000 0.0504 ( 2489 PWs) bands (ev): -46.4389 -46.4389 -24.0176 -24.0176 -21.9616 -21.9616 -21.8917 -21.8917 -19.0347 -19.0347 -8.7903 -8.7903 -8.3388 -8.3388 -8.3378 -8.3378 -2.7496 -2.7496 -2.4891 -2.4891 -2.4872 -2.4872 5.9255 5.9255 6.1143 6.1143 6.1515 6.1515 6.8448 6.8448 6.8696 6.8696 7.2128 7.2128 7.3364 7.3364 7.5391 7.5391 7.5798 7.5798 9.9670 9.9670 10.6033 10.6033 10.6835 10.6835 13.8527 13.8527 k = 0.0000 0.0000 0.0631 ( 2497 PWs) bands (ev): -46.4389 -46.4389 -24.0181 -24.0181 -21.9628 -21.9628 -21.8917 -21.8917 -19.0344 -19.0344 -8.7862 -8.7862 -8.3375 -8.3375 -8.3323 -8.3323 -2.7487 -2.7487 -2.4877 -2.4877 -2.4868 -2.4868 5.9028 5.9028 6.0916 6.0916 6.1430 6.1430 6.8299 6.8299 6.8558 6.8558 7.2066 7.2066 7.3055 7.3055 7.5405 7.5405 7.5823 7.5823 9.9685 9.9685 10.6342 10.6342 10.7141 10.7141 13.8531 13.8531 k = 0.0000 0.0000 0.0757 ( 2497 PWs) bands (ev): -46.4389 -46.4389 -24.0186 -24.0186 -21.9643 -21.9643 -21.8916 -21.8916 -19.0339 -19.0339 -8.7815 -8.7815 -8.3372 -8.3372 -8.3241 -8.3241 -2.7475 -2.7475 -2.4863 -2.4863 -2.4859 -2.4859 5.8715 5.8715 6.0673 6.0673 6.1325 6.1325 6.8126 6.8126 6.8397 6.8397 7.1991 7.1991 7.2699 7.2699 7.5421 7.5421 7.5850 7.5850 9.9704 9.9704 10.6714 10.6714 10.7509 10.7509 13.8536 13.8536 k = 0.0000 0.0000 0.0883 ( 2497 PWs) bands (ev): -46.4389 -46.4389 -24.0192 -24.0192 -21.9661 -21.9661 -21.8915 -21.8915 -19.0334 -19.0334 -8.7764 -8.7764 -8.3368 -8.3368 -8.3141 -8.3141 -2.7462 -2.7462 -2.4857 -2.4857 -2.4838 -2.4838 5.8301 5.8301 6.0431 6.0431 6.1202 6.1202 6.7931 6.7931 6.8219 6.8219 7.1904 7.1904 7.2306 7.2306 7.5439 7.5439 7.5879 7.5879 9.9726 9.9726 10.7145 10.7145 10.7937 10.7937 13.8542 13.8542 k = 0.0000 0.0000 0.1009 ( 2501 PWs) bands (ev): -46.4389 -46.4389 -24.0199 -24.0199 -21.9680 -21.9680 -21.8914 -21.8914 -19.0329 -19.0329 -8.7711 -8.7711 -8.3364 -8.3364 -8.3023 -8.3023 -2.7447 -2.7447 -2.4851 -2.4851 -2.4815 -2.4815 5.7778 5.7778 6.0198 6.0198 6.1060 6.1060 6.7719 6.7719 6.8025 6.8025 7.1805 7.1805 7.1886 7.1886 7.5456 7.5456 7.5909 7.5909 9.9751 9.9751 10.7631 10.7631 10.8420 10.8420 13.8549 13.8549 k = 0.0000 0.0000 0.1135 ( 2493 PWs) bands (ev): -46.4387 -46.4387 -24.0206 -24.0206 -21.9702 -21.9702 -21.8913 -21.8913 -19.0322 -19.0322 -8.7656 -8.7656 -8.3358 -8.3358 -8.2885 -8.2885 -2.7430 -2.7430 -2.4843 -2.4843 -2.4788 -2.4788 5.7146 5.7146 5.9975 5.9975 6.0899 6.0899 6.7494 6.7494 6.7822 6.7822 7.1449 7.1449 7.1696 7.1696 7.5473 7.5473 7.5937 7.5937 9.9779 9.9779 10.8168 10.8168 10.8954 10.8954 13.8556 13.8556 k = 0.0000 0.0000 0.1261 ( 2477 PWs) bands (ev): -46.4384 -46.4384 -24.0214 -24.0214 -21.9726 -21.9726 -21.8911 -21.8911 -19.0315 -19.0315 -8.7603 -8.7603 -8.3353 -8.3353 -8.2726 -8.2726 -2.7411 -2.7411 -2.4835 -2.4835 -2.4758 -2.4758 5.6416 5.6416 5.9761 5.9761 6.0721 6.0721 6.7260 6.7260 6.7613 6.7613 7.1003 7.1003 7.1576 7.1576 7.5488 7.5488 7.5964 7.5964 9.9809 9.9809 10.8752 10.8752 10.9535 10.9535 13.8565 13.8565 k = 0.0000 0.0000 0.1387 ( 2481 PWs) bands (ev): -46.4384 -46.4384 -24.0223 -24.0223 -21.9752 -21.9752 -21.8910 -21.8910 -19.0308 -19.0308 -8.7552 -8.7552 -8.3347 -8.3347 -8.2547 -8.2547 -2.7392 -2.7392 -2.4826 -2.4826 -2.4727 -2.4727 5.5596 5.5596 5.9549 5.9549 6.0525 6.0525 6.7021 6.7021 6.7400 6.7400 7.0555 7.0555 7.1448 7.1448 7.5500 7.5500 7.5989 7.5989 9.9842 9.9842 10.9378 10.9378 11.0158 11.0158 13.8573 13.8573 k = 0.0000 0.0000 0.1513 ( 2473 PWs) bands (ev): -46.4383 -46.4383 -24.0233 -24.0233 -21.9779 -21.9779 -21.8909 -21.8909 -19.0300 -19.0300 -8.7504 -8.7504 -8.3341 -8.3341 -8.2345 -8.2345 -2.7371 -2.7371 -2.4817 -2.4817 -2.4692 -2.4692 5.4699 5.4699 5.9336 5.9336 6.0314 6.0314 6.6779 6.6779 6.7188 6.7188 7.0110 7.0110 7.1312 7.1312 7.5511 7.5511 7.6011 7.6011 9.9876 9.9876 11.0042 11.0042 11.0820 11.0820 13.8581 13.8581 k = 0.0000 0.0000 0.1640 ( 2465 PWs) bands (ev): -46.4381 -46.4381 -24.0243 -24.0243 -21.9808 -21.9808 -21.8907 -21.8907 -19.0291 -19.0291 -8.7462 -8.7462 -8.3334 -8.3334 -8.2123 -8.2123 -2.7349 -2.7349 -2.4807 -2.4807 -2.4655 -2.4655 5.3735 5.3735 5.9120 5.9120 6.0088 6.0088 6.6537 6.6537 6.6978 6.6978 6.9673 6.9673 7.1169 7.1169 7.5519 7.5519 7.6031 7.6031 9.9912 9.9912 11.0738 11.0738 11.1515 11.1515 13.8590 13.8590 k = 0.0000 0.0000 0.1766 ( 2473 PWs) bands (ev): -46.4382 -46.4382 -24.0254 -24.0254 -21.9838 -21.9838 -21.8906 -21.8906 -19.0283 -19.0283 -8.7425 -8.7425 -8.3327 -8.3327 -8.1881 -8.1881 -2.7327 -2.7327 -2.4797 -2.4797 -2.4617 -2.4617 5.2717 5.2717 5.8898 5.8898 5.9849 5.9849 6.6299 6.6299 6.6772 6.6772 6.9245 6.9245 7.1019 7.1019 7.5524 7.5524 7.6048 7.6048 9.9950 9.9950 11.1463 11.1463 11.2238 11.2238 13.8599 13.8599 k = 0.0000 0.0000 0.1892 ( 2465 PWs) bands (ev): -46.4380 -46.4380 -24.0265 -24.0265 -21.9869 -21.9869 -21.8904 -21.8904 -19.0273 -19.0273 -8.7394 -8.7394 -8.3320 -8.3320 -8.1619 -8.1619 -2.7304 -2.7304 -2.4786 -2.4786 -2.4576 -2.4576 5.1654 5.1654 5.8671 5.8671 5.9598 5.9598 6.6065 6.6065 6.6572 6.6572 6.8829 6.8829 7.0865 7.0865 7.5527 7.5527 7.6063 7.6063 9.9990 9.9990 11.2211 11.2211 11.2986 11.2986 13.8609 13.8609 k = 0.0000 0.0000 0.2018 ( 2465 PWs) bands (ev): -46.4379 -46.4379 -24.0276 -24.0276 -21.9901 -21.9901 -21.8902 -21.8902 -19.0264 -19.0264 -8.7369 -8.7369 -8.3313 -8.3313 -8.1339 -8.1339 -2.7281 -2.7281 -2.4775 -2.4775 -2.4534 -2.4534 5.0557 5.0557 5.8438 5.8438 5.9338 5.9338 6.5838 6.5838 6.6379 6.6379 6.8426 6.8426 7.0707 7.0707 7.5528 7.5528 7.6074 7.6074 10.0030 10.0030 11.2979 11.2979 11.3753 11.3753 13.8619 13.8619 k = 0.0000 0.0000 0.2144 ( 2469 PWs) bands (ev): -46.4379 -46.4379 -24.0288 -24.0288 -21.9934 -21.9934 -21.8901 -21.8901 -19.0255 -19.0255 -8.7350 -8.7350 -8.3305 -8.3305 -8.1042 -8.1042 -2.7257 -2.7257 -2.4764 -2.4764 -2.4491 -2.4491 4.9437 4.9437 5.8200 5.8200 5.9071 5.9071 6.5619 6.5619 6.6194 6.6194 6.8036 6.8036 7.0546 7.0546 7.5526 7.5526 7.6083 7.6083 10.0072 10.0072 11.3760 11.3760 11.4535 11.4535 13.8628 13.8628 k = 0.0000 0.0000 0.2270 ( 2477 PWs) bands (ev): -46.4379 -46.4379 -24.0301 -24.0301 -21.9968 -21.9968 -21.8899 -21.8899 -19.0245 -19.0245 -8.7337 -8.7337 -8.3297 -8.3297 -8.0732 -8.0732 -2.7233 -2.7233 -2.4753 -2.4753 -2.4447 -2.4447 4.8302 4.8302 5.7959 5.7959 5.8799 5.8799 6.5408 6.5408 6.6018 6.6018 6.7660 6.7660 7.0383 7.0383 7.5522 7.5522 7.6090 7.6090 10.0113 10.0113 11.4551 11.4551 11.5326 11.5326 13.8638 13.8638 k = 0.0000 0.0000 0.2396 ( 2469 PWs) bands (ev): -46.4377 -46.4377 -24.0313 -24.0313 -22.0001 -22.0001 -21.8897 -21.8897 -19.0235 -19.0235 -8.7329 -8.7329 -8.3290 -8.3290 -8.0409 -8.0409 -2.7209 -2.7209 -2.4741 -2.4741 -2.4402 -2.4402 4.7161 4.7161 5.7715 5.7715 5.8524 5.8524 6.5207 6.5207 6.5850 6.5850 6.7298 6.7298 7.0220 7.0220 7.5517 7.5517 7.6095 7.6095 10.0157 10.0157 11.5348 11.5348 11.6124 11.6124 13.8648 13.8648 k = 0.0000 0.0000 0.2522 ( 2469 PWs) bands (ev): -46.4376 -46.4376 -24.0325 -24.0325 -22.0034 -22.0034 -21.8895 -21.8895 -19.0225 -19.0225 -8.7326 -8.7326 -8.3282 -8.3282 -8.0077 -8.0077 -2.7186 -2.7186 -2.4730 -2.4730 -2.4356 -2.4356 4.6024 4.6024 5.7471 5.7471 5.8249 5.8249 6.5016 6.5016 6.5690 6.5690 6.6951 6.6951 7.0058 7.0058 7.5510 7.5510 7.6098 7.6098 10.0199 10.0199 11.6144 11.6144 11.6922 11.6922 13.8657 13.8657 k = 0.0000 0.0000 0.2649 ( 2469 PWs) bands (ev): -46.4376 -46.4376 -24.0337 -24.0337 -22.0068 -22.0068 -21.8894 -21.8894 -19.0215 -19.0215 -8.7327 -8.7327 -8.3274 -8.3274 -7.9738 -7.9738 -2.7162 -2.7162 -2.4718 -2.4718 -2.4310 -2.4310 4.4897 4.4897 5.7227 5.7227 5.7976 5.7976 6.4834 6.4834 6.5540 6.5540 6.6619 6.6619 6.9897 6.9897 7.5501 7.5501 7.6099 7.6099 10.0242 10.0242 11.6937 11.6937 11.7716 11.7716 13.8667 13.8667 k = 0.0000 0.0000 0.2775 ( 2469 PWs) bands (ev): -46.4375 -46.4375 -24.0349 -24.0349 -22.0100 -22.0100 -21.8892 -21.8892 -19.0206 -19.0206 -8.7332 -8.7332 -8.3266 -8.3266 -7.9395 -7.9395 -2.7140 -2.7140 -2.4707 -2.4707 -2.4264 -2.4264 4.3789 4.3789 5.6986 5.6986 5.7706 5.7706 6.4662 6.4662 6.5398 6.5398 6.6302 6.6302 6.9738 6.9738 7.5492 7.5492 7.6099 7.6099 10.0284 10.0284 11.7721 11.7721 11.8502 11.8502 13.8676 13.8676 k = 0.0000 0.0000 0.2901 ( 2465 PWs) bands (ev): -46.4374 -46.4374 -24.0361 -24.0361 -22.0132 -22.0132 -21.8890 -21.8890 -19.0196 -19.0196 -8.7340 -8.7340 -8.3259 -8.3259 -7.9051 -7.9051 -2.7117 -2.7117 -2.4696 -2.4696 -2.4219 -2.4219 4.2706 4.2706 5.6749 5.6749 5.7442 5.7442 6.4499 6.4499 6.5264 6.5264 6.6001 6.6001 6.9583 6.9583 7.5482 7.5482 7.6097 7.6097 10.0326 10.0326 11.8492 11.8492 11.9275 11.9275 13.8685 13.8685 k = 0.0000 0.0000 0.3027 ( 2473 PWs) bands (ev): -46.4374 -46.4374 -24.0373 -24.0373 -22.0164 -22.0164 -21.8889 -21.8889 -19.0187 -19.0187 -8.7350 -8.7350 -8.3251 -8.3251 -7.8708 -7.8708 -2.7096 -2.7096 -2.4685 -2.4685 -2.4174 -2.4174 4.1655 4.1655 5.6518 5.6518 5.7186 5.7186 6.4346 6.4346 6.5139 6.5139 6.5717 6.5717 6.9432 6.9432 7.5471 7.5471 7.6095 7.6095 10.0366 10.0366 11.9244 11.9244 12.0030 12.0030 13.8694 13.8694 k = 0.0000 0.0000 0.3153 ( 2473 PWs) bands (ev): -46.4373 -46.4373 -24.0384 -24.0384 -22.0194 -22.0194 -21.8887 -21.8887 -19.0178 -19.0178 -8.7363 -8.7363 -8.3244 -8.3244 -7.8370 -7.8370 -2.7075 -2.7075 -2.4674 -2.4674 -2.4131 -2.4131 4.0642 4.0642 5.6294 5.6294 5.6939 5.6939 6.4201 6.4201 6.5022 6.5022 6.5449 6.5449 6.9287 6.9287 7.5460 7.5460 7.6092 7.6092 10.0406 10.0406 11.9975 11.9975 12.0763 12.0763 13.8702 13.8702 k = 0.0000 0.0000 0.3279 ( 2473 PWs) bands (ev): -46.4373 -46.4373 -24.0395 -24.0395 -22.0223 -22.0223 -21.8885 -21.8885 -19.0170 -19.0170 -8.7377 -8.7377 -8.3237 -8.3237 -7.8040 -7.8040 -2.7056 -2.7056 -2.4664 -2.4664 -2.4088 -2.4088 3.9673 3.9673 5.6079 5.6079 5.6703 5.6703 6.4065 6.4065 6.4913 6.4913 6.5200 6.5200 6.9148 6.9148 7.5449 7.5449 7.6088 7.6088 10.0444 10.0444 12.0680 12.0680 12.1470 12.1470 13.8710 13.8710 k = 0.0000 0.0000 0.3405 ( 2469 PWs) bands (ev): -46.4371 -46.4371 -24.0406 -24.0406 -22.0251 -22.0251 -21.8884 -21.8884 -19.0161 -19.0161 -8.7392 -8.7392 -8.3230 -8.3230 -7.7719 -7.7719 -2.7037 -2.7037 -2.4654 -2.4654 -2.4048 -2.4048 3.8753 3.8753 5.5875 5.5875 5.6479 5.6479 6.3937 6.3937 6.4813 6.4813 6.4968 6.4968 6.9016 6.9016 7.5439 7.5439 7.6084 7.6084 10.0480 10.0480 12.1353 12.1353 12.2146 12.2146 13.8718 13.8718 k = 0.0000 0.0000 0.3531 ( 2457 PWs) bands (ev): -46.4369 -46.4369 -24.0416 -24.0416 -22.0276 -22.0276 -21.8883 -21.8883 -19.0153 -19.0153 -8.7407 -8.7407 -8.3224 -8.3224 -7.7412 -7.7412 -2.7019 -2.7019 -2.4645 -2.4645 -2.4009 -2.4009 3.7887 3.7887 5.5683 5.5683 5.6269 5.6269 6.3817 6.3817 6.4720 6.4720 6.4756 6.4756 6.8891 6.8891 7.5428 7.5428 7.6080 7.6080 10.0515 10.0515 12.1992 12.1992 12.2788 12.2788 13.8726 13.8726 k = 0.0000 0.0000 0.3658 ( 2465 PWs) bands (ev): -46.4370 -46.4370 -24.0425 -24.0425 -22.0301 -22.0301 -21.8881 -21.8881 -19.0146 -19.0146 -8.7422 -8.7422 -8.3218 -8.3218 -7.7121 -7.7121 -2.7003 -2.7003 -2.4636 -2.4636 -2.3972 -2.3972 3.7079 3.7079 5.5504 5.5504 5.6073 5.6073 6.3704 6.3704 6.4565 6.4565 6.4635 6.4635 6.8775 6.8775 7.5418 7.5418 7.6075 7.6075 10.0547 10.0547 12.2591 12.2591 12.3389 12.3389 13.8732 13.8732 k = 0.0000 0.0000 0.3784 ( 2465 PWs) bands (ev): -46.4369 -46.4369 -24.0434 -24.0434 -22.0323 -22.0323 -21.8880 -21.8880 -19.0139 -19.0139 -8.7437 -8.7437 -8.3213 -8.3213 -7.6848 -7.6848 -2.6988 -2.6988 -2.4628 -2.4628 -2.3939 -2.3939 3.6335 3.6335 5.5338 5.5338 5.5893 5.5893 6.3598 6.3598 6.4393 6.4393 6.4559 6.4559 6.8668 6.8668 7.5408 7.5408 7.6071 7.6071 10.0577 10.0577 12.3147 12.3147 12.3947 12.3947 13.8739 13.8739 k = 0.0000 0.0000 0.3910 ( 2465 PWs) bands (ev): -46.4369 -46.4369 -24.0442 -24.0442 -22.0344 -22.0344 -21.8879 -21.8879 -19.0133 -19.0133 -8.7452 -8.7452 -8.3208 -8.3208 -7.6597 -7.6597 -2.6975 -2.6975 -2.4621 -2.4621 -2.3908 -2.3908 3.5658 3.5658 5.5188 5.5188 5.5730 5.5730 6.3499 6.3499 6.4242 6.4242 6.4490 6.4490 6.8571 6.8571 7.5399 7.5399 7.6067 7.6067 10.0604 10.0604 12.3655 12.3655 12.4459 12.4459 13.8745 13.8745 k = 0.0000 0.0000 0.4036 ( 2461 PWs) bands (ev): -46.4368 -46.4368 -24.0449 -24.0449 -22.0362 -22.0362 -21.8878 -21.8878 -19.0128 -19.0128 -8.7465 -8.7465 -8.3203 -8.3203 -7.6369 -7.6369 -2.6963 -2.6963 -2.4614 -2.4614 -2.3879 -2.3879 3.5052 3.5052 5.5053 5.5053 5.5584 5.5584 6.3408 6.3408 6.4112 6.4112 6.4429 6.4429 6.8484 6.8484 7.5391 7.5391 7.6063 7.6063 10.0629 10.0629 12.4114 12.4114 12.4919 12.4919 13.8750 13.8750 k = 0.0000 0.0000 0.4162 ( 2457 PWs) bands (ev): -46.4367 -46.4367 -24.0455 -24.0455 -22.0378 -22.0378 -21.8877 -21.8877 -19.0123 -19.0123 -8.7477 -8.7477 -8.3199 -8.3199 -7.6166 -7.6166 -2.6952 -2.6952 -2.4609 -2.4609 -2.3854 -2.3854 3.4520 3.4520 5.4935 5.4935 5.5457 5.5457 6.3326 6.3326 6.4002 6.4002 6.4377 6.4377 6.8408 6.8408 7.5384 7.5384 7.6059 7.6059 10.0651 10.0651 12.4518 12.4518 12.5325 12.5325 13.8754 13.8754 k = 0.0000 0.0000 0.4288 ( 2445 PWs) bands (ev): -46.4365 -46.4365 -24.0460 -24.0460 -22.0392 -22.0392 -21.8876 -21.8876 -19.0118 -19.0118 -8.7488 -8.7488 -8.3196 -8.3196 -7.5991 -7.5991 -2.6943 -2.6943 -2.4603 -2.4603 -2.3833 -2.3833 3.4065 3.4065 5.4834 5.4834 5.5348 5.5348 6.3253 6.3253 6.3912 6.3912 6.4332 6.4332 6.8342 6.8342 7.5378 7.5378 7.6056 7.6056 10.0670 10.0670 12.4866 12.4866 12.5675 12.5675 13.8759 13.8759 k = 0.0000 0.0000 0.4414 ( 2445 PWs) bands (ev): -46.4364 -46.4364 -24.0465 -24.0465 -22.0403 -22.0403 -21.8876 -21.8876 -19.0115 -19.0115 -8.7497 -8.7497 -8.3193 -8.3193 -7.5846 -7.5846 -2.6935 -2.6935 -2.4599 -2.4599 -2.3815 -2.3815 3.3689 3.3689 5.4750 5.4750 5.5258 5.5258 6.3191 6.3191 6.3840 6.3840 6.4295 6.4295 6.8289 6.8289 7.5373 7.5373 7.6053 7.6053 10.0685 10.0685 12.5154 12.5154 12.5964 12.5964 13.8762 13.8762 k = 0.0000 0.0000 0.4540 ( 2437 PWs) bands (ev): -46.4363 -46.4363 -24.0468 -24.0468 -22.0412 -22.0412 -21.8875 -21.8875 -19.0112 -19.0112 -8.7504 -8.7504 -8.3191 -8.3191 -7.5731 -7.5731 -2.6929 -2.6929 -2.4596 -2.4596 -2.3801 -2.3801 3.3395 3.3395 5.4685 5.4685 5.5188 5.5188 6.3141 6.3141 6.3785 6.3785 6.4267 6.4267 6.8246 6.8246 7.5369 7.5369 7.6051 7.6051 10.0697 10.0697 12.5381 12.5381 12.6192 12.6192 13.8765 13.8765 k = 0.0000 0.0000 0.4667 ( 2424 PWs) bands (ev): -46.4361 -46.4361 -24.0470 -24.0470 -22.0418 -22.0418 -21.8874 -21.8874 -19.0110 -19.0110 -8.7509 -8.7509 -8.3189 -8.3189 -7.5648 -7.5648 -2.6925 -2.6925 -2.4593 -2.4593 -2.3791 -2.3791 3.3183 3.3183 5.4638 5.4638 5.5138 5.5138 6.3105 6.3105 6.3747 6.3747 6.4246 6.4246 6.8216 6.8216 7.5366 7.5366 7.6050 7.6050 10.0706 10.0706 12.5545 12.5545 12.6357 12.6357 13.8768 13.8768 k = 0.0000 0.0000 0.4793 ( 2424 PWs) bands (ev): -46.4361 -46.4361 -24.0472 -24.0472 -22.0422 -22.0422 -21.8874 -21.8874 -19.0109 -19.0109 -8.7512 -8.7512 -8.3188 -8.3188 -7.5598 -7.5598 -2.6922 -2.6922 -2.4592 -2.4592 -2.3785 -2.3785 3.3056 3.3056 5.4610 5.4610 5.5108 5.5108 6.3083 6.3083 6.3724 6.3724 6.4234 6.4234 6.8198 6.8198 7.5364 7.5364 7.6049 7.6049 10.0711 10.0711 12.5643 12.5643 12.6455 12.6455 13.8769 13.8769 k = 0.0000 0.0000 0.4919 ( 2432 PWs) bands (ev): -46.4362 -46.4362 -24.0472 -24.0472 -22.0424 -22.0424 -21.8874 -21.8874 -19.0109 -19.0109 -8.7513 -8.7513 -8.3188 -8.3188 -7.5582 -7.5582 -2.6922 -2.6922 -2.4592 -2.4592 -2.3783 -2.3783 3.3013 3.3013 5.4601 5.4601 5.5098 5.5098 6.3075 6.3075 6.3716 6.3716 6.4230 6.4230 6.8192 6.8192 7.5363 7.5363 7.6048 7.6048 10.0713 10.0713 12.5676 12.5676 12.6488 12.6488 13.8769 13.8769 k = 0.0000 0.0000 0.4919 ( 2432 PWs) bands (ev): -46.4362 -46.4362 -24.0472 -24.0472 -22.0424 -22.0424 -21.8874 -21.8874 -19.0109 -19.0109 -8.7513 -8.7513 -8.3188 -8.3188 -7.5582 -7.5582 -2.6922 -2.6922 -2.4592 -2.4592 -2.3783 -2.3783 3.3013 3.3013 5.4601 5.4601 5.5098 5.5098 6.3075 6.3075 6.3716 6.3716 6.4230 6.4230 6.8192 6.8192 7.5363 7.5363 7.6048 7.6048 10.0713 10.0713 12.5676 12.5676 12.6488 12.6488 13.8769 13.8769 k = 0.0000 0.0125 0.4919 ( 2428 PWs) bands (ev): -46.4362 -46.4362 -24.0474 -24.0472 -22.0426 -22.0422 -21.8875 -21.8875 -19.0109 -19.0108 -8.7508 -8.7500 -8.3182 -8.3182 -7.5584 -7.5581 -2.6923 -2.6921 -2.4591 -2.4591 -2.3785 -2.3784 3.3012 3.3014 5.4544 5.4576 5.5058 5.5062 6.2905 6.3250 6.3562 6.3859 6.4239 6.4260 6.8220 6.8226 7.5329 7.5330 7.6012 7.6013 10.0764 10.0764 12.5666 12.5680 12.6460 12.6511 13.8806 13.8853 k = 0.0000 0.0250 0.4919 ( 2432 PWs) bands (ev): -46.4362 -46.4362 -24.0477 -24.0472 -22.0429 -22.0421 -21.8879 -21.8879 -19.0108 -19.0108 -8.7485 -8.7469 -8.3163 -8.3163 -7.5588 -7.5582 -2.6924 -2.6922 -2.4591 -2.4591 -2.3791 -2.3788 3.3011 3.3014 5.4381 5.4450 5.4970 5.4987 6.2744 6.3307 6.3509 6.3931 6.4285 6.4375 6.8312 6.8323 7.5226 7.5229 7.5904 7.5907 10.0915 10.0916 12.5650 12.5679 12.6428 12.6528 13.8964 13.9055 k = 0.0000 0.0375 0.4919 ( 2436 PWs) bands (ev): -46.4362 -46.4362 -24.0480 -24.0473 -22.0432 -22.0421 -21.8885 -21.8885 -19.0108 -19.0107 -8.7445 -8.7421 -8.3131 -8.3131 -7.5593 -7.5585 -2.6926 -2.6922 -2.4591 -2.4591 -2.3800 -2.3796 3.3009 3.3014 5.4081 5.4181 5.4890 5.4919 6.2579 6.3145 6.3603 6.3918 6.4402 6.4581 6.8471 6.8486 7.5057 7.5061 7.5734 7.5738 10.1164 10.1165 12.5630 12.5675 12.6397 12.6538 13.9235 13.9366 k = 0.0000 0.0500 0.4919 ( 2438 PWs) bands (ev): -46.4362 -46.4362 -24.0484 -24.0475 -22.0437 -22.0422 -21.8893 -21.8893 -19.0107 -19.0106 -8.7387 -8.7356 -8.3086 -8.3085 -7.5600 -7.5589 -2.6929 -2.6924 -2.4590 -2.4590 -2.3812 -2.3807 3.3008 3.3014 5.3658 5.3776 5.4835 5.4867 6.2391 6.2929 6.3632 6.3855 6.4605 6.4833 6.8700 6.8719 7.4824 7.4829 7.5512 7.5516 10.1506 10.1508 12.5608 12.5670 12.6370 12.6545 13.9610 13.9773 k = 0.0000 0.0625 0.4919 ( 2444 PWs) bands (ev): -46.4363 -46.4363 -24.0489 -24.0478 -22.0442 -22.0423 -21.8903 -21.8903 -19.0105 -19.0104 -8.7314 -8.7276 -8.3027 -8.3026 -7.5609 -7.5595 -2.6933 -2.6926 -2.4590 -2.4589 -2.3828 -2.3821 3.3005 3.3013 5.3144 5.3271 5.4791 5.4825 6.2164 6.2669 6.3590 6.3760 6.4859 6.5097 6.9002 6.9023 7.4530 7.4537 7.5251 7.5256 10.1935 10.1937 12.5589 12.5666 12.6349 12.6552 14.0075 14.0262 k = 0.0000 0.0750 0.4919 ( 2440 PWs) bands (ev): -46.4362 -46.4362 -24.0495 -24.0481 -22.0447 -22.0425 -21.8916 -21.8915 -19.0104 -19.0102 -8.7227 -8.7182 -8.2953 -8.2951 -7.5619 -7.5603 -2.6936 -2.6928 -2.4589 -2.4588 -2.3846 -2.3838 3.3003 3.3012 5.2563 5.2696 5.4748 5.4784 6.1884 6.2358 6.3502 6.3641 6.5124 6.5353 6.9376 6.9397 7.4185 7.4193 7.4961 7.4967 10.2445 10.2447 12.5577 12.5668 12.6336 12.6561 14.0613 14.0818 k = 0.0000 0.0875 0.4919 ( 2444 PWs) bands (ev): -46.4362 -46.4362 -24.0502 -24.0486 -22.0454 -22.0428 -21.8930 -21.8929 -19.0102 -19.0100 -8.7127 -8.7076 -8.2864 -8.2861 -7.5631 -7.5612 -2.6941 -2.6931 -2.4588 -2.4587 -2.3867 -2.3858 3.3000 3.3011 5.1936 5.2072 5.4705 5.4741 6.1540 6.1986 6.3381 6.3500 6.5379 6.5592 6.9814 6.9836 7.3803 7.3812 7.4653 7.4658 10.3027 10.3029 12.5577 12.5676 12.6331 12.6576 14.1208 14.1422 k = 0.0000 0.1000 0.4919 ( 2448 PWs) bands (ev): -46.4362 -46.4362 -24.0509 -24.0492 -22.0461 -22.0431 -21.8946 -21.8945 -19.0100 -19.0098 -8.7016 -8.6960 -8.2758 -8.2753 -7.5644 -7.5622 -2.6946 -2.6935 -2.4586 -2.4585 -2.3891 -2.3881 3.2997 3.3010 5.1276 5.1414 5.4658 5.4696 6.1123 6.1543 6.3234 6.3340 6.5614 6.5811 7.0306 7.0327 7.3400 7.3411 7.4333 7.4338 10.3674 10.3676 12.5593 12.5695 12.6336 12.6600 14.1843 14.2061 k = 0.0000 0.1125 0.4919 ( 2452 PWs) bands (ev): -46.4362 -46.4362 -24.0517 -24.0498 -22.0469 -22.0436 -21.8964 -21.8962 -19.0097 -19.0096 -8.6897 -8.6836 -8.2635 -8.2627 -7.5659 -7.5633 -2.6952 -2.6939 -2.4585 -2.4583 -2.3917 -2.3906 3.2993 3.3008 5.0595 5.0733 5.4607 5.4647 6.0626 6.1023 6.3065 6.3160 6.5830 6.6011 7.0835 7.0857 7.2996 7.3008 7.4006 7.4012 10.4379 10.4381 12.5627 12.5724 12.6350 12.6636 14.2502 14.2718 k = 0.0000 0.1250 0.4919 ( 2464 PWs) bands (ev): -46.4363 -46.4363 -24.0526 -24.0505 -22.0477 -22.0441 -21.8983 -21.8981 -19.0095 -19.0093 -8.6771 -8.6707 -8.2493 -8.2481 -7.5674 -7.5646 -2.6959 -2.6945 -2.4584 -2.4582 -2.3945 -2.3933 3.2989 3.3005 4.9901 5.0038 5.4553 5.4595 6.0044 6.0422 6.2875 6.2963 6.6027 6.6195 7.1376 7.1398 7.2619 7.2635 7.3678 7.3684 10.5134 10.5136 12.5678 12.5762 12.6377 12.6688 14.3170 14.3381 k = 0.0000 0.1375 0.4919 ( 2466 PWs) bands (ev): -46.4363 -46.4363 -24.0536 -24.0513 -22.0487 -22.0447 -21.9004 -21.9001 -19.0092 -19.0090 -8.6642 -8.6574 -8.2331 -8.2314 -7.5691 -7.5659 -2.6966 -2.6950 -2.4583 -2.4579 -2.3975 -2.3962 3.2985 3.3003 4.9199 4.9335 5.4495 5.4540 5.9378 5.9738 6.2666 6.2748 6.6211 6.6368 7.1802 7.1823 7.2396 7.2418 7.3353 7.3362 10.5933 10.5934 12.5745 12.5810 12.6420 12.6759 14.3836 14.4037 k = 0.0000 0.1500 0.4919 ( 2466 PWs) bands (ev): -46.4362 -46.4362 -24.0546 -24.0521 -22.0497 -22.0454 -21.9025 -21.9021 -19.0089 -19.0087 -8.6511 -8.6441 -8.2148 -8.2126 -7.5709 -7.5674 -2.6975 -2.6957 -2.4582 -2.4577 -2.4006 -2.3992 3.2980 3.3000 4.8495 4.8630 5.4433 5.4481 5.8628 5.8973 6.2439 6.2517 6.6384 6.6531 7.1707 7.1727 7.2712 7.2761 7.3036 7.3069 10.6769 10.6769 12.5822 12.5863 12.6488 12.6855 14.4487 14.4677 k = 0.0000 0.1625 0.4919 ( 2462 PWs) bands (ev): -46.4361 -46.4361 -24.0556 -24.0530 -22.0508 -22.0462 -21.9048 -21.9043 -19.0085 -19.0083 -8.6380 -8.6310 -8.1944 -8.1916 -7.5728 -7.5689 -2.6983 -2.6964 -2.4581 -2.4575 -2.4037 -2.4023 3.2974 3.2996 4.7792 4.7926 5.4368 5.4419 5.7801 5.8133 6.2194 6.2269 6.6549 6.6688 7.1425 7.1447 7.2703 7.2724 7.3329 7.3334 10.7634 10.7635 12.5900 12.5917 12.6588 12.6981 14.5115 14.5291 k = 0.0000 0.1750 0.4919 ( 2462 PWs) bands (ev): -46.4360 -46.4360 -24.0566 -24.0539 -22.0519 -22.0471 -21.9071 -21.9065 -19.0082 -19.0079 -8.6251 -8.6181 -8.1719 -8.1684 -7.5747 -7.5705 -2.6993 -2.6971 -2.4580 -2.4573 -2.4069 -2.4055 3.2968 3.2991 4.7094 4.7226 5.4299 5.4354 5.6907 5.7225 6.1933 6.2007 6.6709 6.6841 7.1149 7.1175 7.2418 7.2429 7.3913 7.3919 10.8523 10.8525 12.5969 12.5970 12.6730 12.7139 14.5712 14.5875 k = 0.0000 0.1875 0.4919 ( 2462 PWs) bands (ev): -46.4359 -46.4359 -24.0577 -24.0549 -22.0532 -22.0481 -21.9094 -21.9087 -19.0078 -19.0076 -8.6127 -8.6058 -8.1472 -8.1430 -7.5767 -7.5721 -2.7003 -2.6980 -2.4581 -2.4572 -2.4101 -2.4087 3.2961 3.2986 4.6403 4.6533 5.4225 5.4287 5.5956 5.6261 6.1658 6.1730 6.6865 6.6992 7.0901 7.0931 7.2139 7.2148 7.4500 7.4508 10.9431 10.9434 12.6018 12.6026 12.6916 12.7332 14.6274 14.6422 k = 0.0000 0.2000 0.4919 ( 2460 PWs) bands (ev): -46.4358 -46.4358 -24.0589 -24.0560 -22.0545 -22.0491 -21.9118 -21.9110 -19.0074 -19.0072 -8.6008 -8.5940 -8.1206 -8.1155 -7.5788 -7.5737 -2.7014 -2.6989 -2.4583 -2.4571 -2.4131 -2.4118 3.2953 3.2980 4.5721 4.5850 5.4133 5.4215 5.4974 5.5252 6.1369 6.1441 6.7018 6.7140 7.0684 7.0717 7.1875 7.1883 7.5078 7.5087 11.0353 11.0358 12.6062 12.6072 12.7146 12.7561 14.6798 14.6932 k = 0.0000 0.2125 0.4919 ( 2460 PWs) bands (ev): -46.4357 -46.4357 -24.0600 -24.0571 -22.0558 -22.0503 -21.9141 -21.9132 -19.0070 -19.0068 -8.5895 -8.5829 -8.0920 -8.0861 -7.5809 -7.5753 -2.7025 -2.6999 -2.4587 -2.4572 -2.4160 -2.4148 3.2944 3.2973 4.5050 4.5177 5.3788 5.4081 5.4208 5.4271 6.1070 6.1141 6.7168 6.7286 7.0497 7.0533 7.1628 7.1636 7.5642 7.5649 11.1283 11.1290 12.6100 12.6108 12.7415 12.7823 14.7282 14.7402 k = 0.0000 0.2250 0.4919 ( 2468 PWs) bands (ev): -46.4357 -46.4357 -24.0612 -24.0582 -22.0573 -22.0516 -21.9165 -21.9154 -19.0066 -19.0064 -8.5788 -8.5725 -8.0617 -8.0549 -7.5830 -7.5769 -2.7037 -2.7010 -2.4593 -2.4574 -2.4186 -2.4177 3.2934 3.2965 4.4391 4.4516 5.2801 5.3117 5.4059 5.4095 6.0761 6.0832 6.7316 6.7431 7.0335 7.0375 7.1398 7.1406 7.6186 7.6193 11.2217 11.2225 12.6135 12.6137 12.7720 12.8117 14.7726 14.7833 k = 0.0000 0.2375 0.4919 ( 2468 PWs) bands (ev): -46.4356 -46.4356 -24.0624 -24.0594 -22.0588 -22.0529 -21.9187 -21.9176 -19.0062 -19.0060 -8.5688 -8.5629 -8.0300 -8.0221 -7.5851 -7.5784 -2.7050 -2.7021 -2.4601 -2.4579 -2.4209 -2.4203 3.2922 3.2955 4.3744 4.3867 5.1737 5.2040 5.3976 5.4021 6.0446 6.0517 6.7462 6.7575 7.0197 7.0240 7.1185 7.1193 7.6708 7.6715 11.3150 11.3160 12.6163 12.6166 12.8055 12.8440 14.8131 14.8226 k = 0.0000 0.2500 0.4919 ( 2472 PWs) bands (ev): -46.4356 -46.4356 -24.0636 -24.0605 -22.0603 -22.0544 -21.9210 -21.9198 -19.0058 -19.0056 -8.5595 -8.5539 -7.9970 -7.9881 -7.5871 -7.5799 -2.7063 -2.7033 -2.4613 -2.4586 -2.4229 -2.4225 3.2908 3.2944 4.3111 4.3232 5.0665 5.0959 5.3901 5.3950 6.0126 6.0198 6.7606 6.7716 7.0080 7.0126 7.0990 7.0998 7.7207 7.7213 11.4077 11.4090 12.6185 12.6194 12.8418 12.8789 14.8499 14.8583 k = 0.0000 0.2625 0.4919 ( 2464 PWs) bands (ev): -46.4354 -46.4354 -24.0648 -24.0617 -22.0619 -22.0559 -21.9231 -21.9219 -19.0054 -19.0051 -8.5509 -8.5456 -7.9631 -7.9531 -7.5891 -7.5811 -2.7076 -2.7045 -2.4627 -2.4596 -2.4244 -2.4243 3.2892 3.2930 4.2492 4.2610 4.9601 4.9887 5.3830 5.3882 5.9805 5.9877 6.7747 6.7856 6.9980 7.0030 7.0812 7.0819 7.7681 7.7686 11.4994 11.5010 12.6205 12.6220 12.8804 12.9161 14.8833 14.8907 k = 0.0000 0.2750 0.4919 ( 2460 PWs) bands (ev): -46.4352 -46.4352 -24.0659 -24.0629 -22.0635 -22.0575 -21.9252 -21.9238 -19.0050 -19.0047 -8.5429 -8.5379 -7.9286 -7.9175 -7.5910 -7.5821 -2.7089 -2.7057 -2.4645 -2.4610 -2.4257 -2.4256 3.2874 3.2913 4.1887 4.2001 4.8556 4.8835 5.3761 5.3815 5.9484 5.9556 6.7885 6.7993 6.9895 6.9949 7.0650 7.0657 7.8128 7.8133 11.5898 11.5917 12.6224 12.6244 12.9210 12.9553 14.9133 14.9198 k = 0.0000 0.2875 0.4919 ( 2460 PWs) bands (ev): -46.4352 -46.4352 -24.0671 -24.0641 -22.0651 -22.0591 -21.9271 -21.9257 -19.0046 -19.0043 -8.5355 -8.5309 -7.8939 -7.8816 -7.5927 -7.5829 -2.7103 -2.7070 -2.4665 -2.4627 -2.4267 -2.4263 3.2852 3.2894 4.1296 4.1406 4.7542 4.7813 5.3694 5.3750 5.9166 5.9238 6.8020 6.8126 6.9822 6.9881 7.0502 7.0509 7.8549 7.8553 11.6783 11.6805 12.6241 12.6267 12.9632 12.9960 14.9403 14.9459 k = 0.0000 0.3000 0.4919 ( 2468 PWs) bands (ev): -46.4352 -46.4352 -24.0682 -24.0653 -22.0667 -22.0608 -21.9290 -21.9276 -19.0042 -19.0039 -8.5287 -8.5244 -7.8594 -7.8457 -7.5942 -7.5833 -2.7117 -2.7083 -2.4687 -2.4646 -2.4274 -2.4267 3.2827 3.2870 4.0720 4.0824 4.6566 4.6829 5.3631 5.3688 5.8853 5.8925 6.8150 6.8256 6.9761 6.9824 7.0369 7.0375 7.8941 7.8945 11.7645 11.7670 12.6257 12.6288 13.0066 13.0378 14.9645 14.9693 k = 0.0000 0.3125 0.4919 ( 2464 PWs) bands (ev): -46.4350 -46.4350 -24.0693 -24.0664 -22.0683 -22.0625 -21.9307 -21.9293 -19.0038 -19.0035 -8.5224 -8.5184 -7.8255 -7.8103 -7.5953 -7.5831 -2.7130 -2.7096 -2.4710 -2.4668 -2.4276 -2.4269 3.2797 3.2842 4.0158 4.0256 4.5639 4.5891 5.3571 5.3629 5.8548 5.8619 6.8275 6.8382 6.9708 6.9776 7.0250 7.0254 7.9307 7.9309 11.8480 11.8509 12.6272 12.6309 13.0509 13.0805 14.9861 14.9903 k = 0.0000 0.3250 0.4919 ( 2458 PWs) bands (ev): -46.4349 -46.4349 -24.0703 -24.0676 -22.0699 -22.0643 -21.9323 -21.9309 -19.0034 -19.0032 -8.5167 -8.5130 -7.7927 -7.7758 -7.5959 -7.5821 -2.7143 -2.7109 -2.4734 -2.4691 -2.4276 -2.4268 3.2761 3.2807 3.9612 3.9702 4.4768 4.5008 5.3515 5.3573 5.8251 5.8322 6.8395 6.8503 6.9663 6.9736 7.0143 7.0146 7.9645 7.9647 11.9284 11.9317 12.6286 12.6329 13.0955 13.1235 15.0054 15.0090 k = 0.0000 0.3375 0.4919 ( 2454 PWs) bands (ev): -46.4347 -46.4347 -24.0713 -24.0687 -22.0715 -22.0660 -21.9338 -21.9324 -19.0030 -19.0028 -8.5114 -8.5080 -7.7617 -7.7429 -7.5958 -7.5801 -2.7155 -2.7121 -2.4757 -2.4714 -2.4274 -2.4265 3.2718 3.2766 3.9083 3.9164 4.3959 4.4185 5.3463 5.3521 5.7966 5.8036 6.8510 6.8618 6.9625 6.9703 7.0048 7.0050 7.9956 7.9957 12.0053 12.0091 12.6300 12.6348 13.1401 13.1663 15.0225 15.0256 k = 0.0000 0.3500 0.4919 ( 2454 PWs) bands (ev): -46.4346 -46.4346 -24.0722 -24.0697 -22.0729 -22.0677 -21.9351 -21.9337 -19.0027 -19.0025 -8.5066 -8.5035 -7.7332 -7.7123 -7.5943 -7.5765 -2.7167 -2.7134 -2.4781 -2.4738 -2.4270 -2.4261 3.2667 3.2716 3.8574 3.8645 4.3217 4.3427 5.3416 5.3474 5.7694 5.7763 6.8617 6.8727 6.9591 6.9676 6.9964 6.9965 8.0240 8.0241 12.0783 12.0826 12.6313 12.6366 13.1840 13.2085 15.0377 15.0403 k = 0.0000 0.3625 0.4919 ( 2462 PWs) bands (ev): -46.4347 -46.4347 -24.0731 -24.0708 -22.0743 -22.0694 -21.9364 -21.9350 -19.0023 -19.0022 -8.5022 -8.4994 -7.7081 -7.6853 -7.5905 -7.5709 -2.7179 -2.7147 -2.4803 -2.4762 -2.4265 -2.4256 3.2607 3.2656 3.8089 3.8148 4.2544 4.2738 5.3373 5.3430 5.7437 5.7503 6.8717 6.8829 6.9562 6.9654 6.9889 6.9892 8.0498 8.0498 12.1469 12.1517 12.6325 12.6384 13.2269 13.2496 15.0511 15.0533 k = 0.0000 0.3750 0.4919 ( 2462 PWs) bands (ev): -46.4346 -46.4346 -24.0739 -24.0717 -22.0757 -22.0710 -21.9375 -21.9362 -19.0020 -19.0019 -8.4982 -8.4957 -7.6872 -7.6638 -7.5830 -7.5626 -2.7189 -2.7159 -2.4824 -2.4785 -2.4259 -2.4251 3.2537 3.2585 3.7633 3.7680 4.1943 4.2118 5.3336 5.3391 5.7196 5.7259 6.8809 6.8924 6.9536 6.9635 6.9823 6.9829 8.0730 8.0730 12.2109 12.2163 12.6337 12.6402 13.2682 13.2891 15.0629 15.0647 k = 0.0000 0.3875 0.4919 ( 2458 PWs) bands (ev): -46.4345 -46.4345 -24.0746 -24.0726 -22.0769 -22.0726 -21.9384 -21.9372 -19.0017 -19.0016 -8.4947 -8.4924 -7.6709 -7.6491 -7.5704 -7.5514 -2.7199 -2.7170 -2.4843 -2.4806 -2.4253 -2.4245 3.2456 3.2503 3.7212 3.7248 4.1411 4.1567 5.3303 5.3357 5.6972 5.7033 6.8893 6.9010 6.9513 6.9620 6.9768 6.9776 8.0937 8.0938 12.2699 12.2759 12.6349 12.6420 13.3076 13.3265 15.0731 15.0746 k = 0.0000 0.4000 0.4919 ( 2458 PWs) bands (ev): -46.4344 -46.4344 -24.0753 -24.0735 -22.0780 -22.0741 -21.9393 -21.9382 -19.0015 -19.0013 -8.4915 -8.4895 -7.6592 -7.6406 -7.5538 -7.5378 -2.7207 -2.7181 -2.4861 -2.4826 -2.4247 -2.4240 3.2364 3.2409 3.6832 3.6858 4.0946 4.1083 5.3276 5.3326 5.6768 5.6825 6.8968 6.9086 6.9494 6.9607 6.9721 6.9732 8.1121 8.1121 12.3235 12.3301 12.6361 12.6437 13.3444 13.3614 15.0820 15.0832 k = 0.0000 0.4125 0.4919 ( 2458 PWs) bands (ev): -46.4344 -46.4344 -24.0759 -24.0743 -22.0789 -22.0755 -21.9400 -21.9390 -19.0012 -19.0011 -8.4887 -8.4870 -7.6512 -7.6363 -7.5354 -7.5229 -2.7215 -2.7191 -2.4876 -2.4845 -2.4241 -2.4235 3.2263 3.2305 3.6497 3.6515 4.0547 4.0664 5.3254 5.3301 5.6584 5.6637 6.9033 6.9151 6.9480 6.9596 6.9684 6.9696 8.1280 8.1280 12.3714 12.3785 12.6373 12.6453 13.3783 13.3932 15.0896 15.0906 k = 0.0000 0.4250 0.4919 ( 2464 PWs) bands (ev): -46.4344 -46.4344 -24.0764 -24.0750 -22.0798 -22.0767 -21.9406 -21.9398 -19.0010 -19.0009 -8.4863 -8.4848 -7.6458 -7.6342 -7.5173 -7.5079 -2.7221 -2.7200 -2.4889 -2.4861 -2.4236 -2.4230 3.2157 3.2195 3.6211 3.6222 4.0209 4.0308 5.3237 5.3279 5.6422 5.6469 6.9088 6.9203 6.9472 6.9587 6.9655 6.9667 8.1417 8.1417 12.4134 12.4209 12.6387 12.6470 13.4088 13.4217 15.0960 15.0967 k = 0.0000 0.4375 0.4919 ( 2460 PWs) bands (ev): -46.4343 -46.4343 -24.0768 -24.0756 -22.0804 -22.0779 -21.9411 -21.9404 -19.0008 -19.0008 -8.4842 -8.4830 -7.6421 -7.6332 -7.5009 -7.4939 -2.7227 -2.7208 -2.4900 -2.4876 -2.4231 -2.4226 3.2051 3.2083 3.5975 3.5982 3.9929 4.0010 5.3224 5.3261 5.6283 5.6324 6.9133 6.9238 6.9474 6.9577 6.9635 6.9644 8.1532 8.1532 12.4492 12.4568 12.6402 12.6485 13.4355 13.4463 15.1013 15.1019 k = 0.0000 0.4500 0.4919 ( 2456 PWs) bands (ev): -46.4343 -46.4343 -24.0771 -24.0761 -22.0809 -22.0789 -21.9415 -21.9409 -19.0007 -19.0006 -8.4825 -8.4815 -7.6395 -7.6330 -7.4867 -7.4817 -2.7230 -2.7215 -2.4908 -2.4889 -2.4227 -2.4223 3.1952 3.1978 3.5788 3.5792 3.9705 3.9769 5.3215 5.3246 5.6169 5.6203 6.9170 6.9258 6.9484 6.9570 6.9621 6.9626 8.1625 8.1625 12.4787 12.4861 12.6420 12.6499 13.4581 13.4667 15.1055 15.1060 k = 0.0000 0.4625 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0773 -24.0766 -22.0813 -22.0797 -21.9418 -21.9413 -19.0006 -19.0005 -8.4812 -8.4804 -7.6377 -7.6331 -7.4753 -7.4718 -2.7233 -2.7221 -2.4914 -2.4899 -2.4223 -2.4220 3.1865 3.1885 3.5647 3.5649 3.9534 3.9582 5.3210 5.3234 5.6080 5.6106 6.9198 6.9265 6.9501 6.9563 6.9611 6.9612 8.1697 8.1697 12.5019 12.5083 12.6440 12.6509 13.4762 13.4827 15.1088 15.1091 k = 0.0000 0.4750 0.4919 ( 2460 PWs) bands (ev): -46.4343 -46.4343 -24.0774 -24.0769 -22.0815 -22.0804 -21.9420 -21.9417 -19.0005 -19.0004 -8.4802 -8.4797 -7.6364 -7.6334 -7.4669 -7.4647 -2.7234 -2.7226 -2.4918 -2.4908 -2.4220 -2.4218 3.1799 3.1812 3.5550 3.5551 3.9416 3.9447 5.3208 5.3225 5.6017 5.6035 6.9219 6.9264 6.9519 6.9559 6.9602 6.9604 8.1748 8.1748 12.5187 12.5236 12.6462 12.6514 13.4896 13.4940 15.1111 15.1113 k = 0.0000 0.4875 0.4919 ( 2460 PWs) bands (ev): -46.4343 -46.4343 -24.0774 -24.0772 -22.0815 -22.0809 -21.9420 -21.9419 -19.0004 -19.0004 -8.4795 -8.4793 -7.6354 -7.6339 -7.4615 -7.4605 -2.7234 -2.7230 -2.4919 -2.4914 -2.4218 -2.4217 3.1758 3.1765 3.5493 3.5493 3.9348 3.9364 5.3209 5.3217 5.5981 5.5990 6.9236 6.9258 6.9536 6.9554 6.9597 6.9598 8.1779 8.1779 12.5294 12.5321 12.6484 12.6512 13.4982 13.5003 15.1125 15.1126 k = 0.0000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0774 -24.0774 -22.0813 -22.0813 -21.9420 -21.9420 -19.0004 -19.0004 -8.4792 -8.4792 -7.6346 -7.6346 -7.4594 -7.4594 -2.7233 -2.7233 -2.4917 -2.4917 -2.4217 -2.4217 3.1746 3.1746 3.5474 3.5474 3.9331 3.9331 5.3212 5.3212 5.5972 5.5972 6.9248 6.9248 6.9547 6.9547 6.9595 6.9595 8.1789 8.1789 12.5339 12.5339 12.6501 12.6501 13.5018 13.5018 15.1129 15.1129 k = 0.0000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0774 -24.0774 -22.0813 -22.0813 -21.9420 -21.9420 -19.0004 -19.0004 -8.4792 -8.4792 -7.6346 -7.6346 -7.4594 -7.4594 -2.7233 -2.7233 -2.4917 -2.4917 -2.4217 -2.4217 3.1746 3.1746 3.5474 3.5474 3.9331 3.9331 5.3212 5.3212 5.5972 5.5972 6.9248 6.9248 6.9547 6.9547 6.9595 6.9595 8.1789 8.1789 12.5339 12.5339 12.6501 12.6501 13.5018 13.5018 15.1129 15.1129 k = 0.0125 0.5000 0.4919 ( 2464 PWs) bands (ev): -46.4343 -46.4343 -24.0775 -24.0773 -22.0813 -22.0812 -21.9423 -21.9420 -19.0004 -19.0004 -8.4783 -8.4772 -7.6348 -7.6341 -7.4594 -7.4593 -2.7243 -2.7231 -2.4922 -2.4920 -2.4230 -2.4215 3.1746 3.1747 3.5473 3.5474 3.9340 3.9341 5.3177 5.3187 5.5934 5.5935 6.9251 6.9255 6.9523 6.9549 6.9616 6.9620 8.1789 8.1789 12.5340 12.5357 12.6489 12.6517 13.5017 13.5021 15.1187 15.1229 k = 0.0250 0.5000 0.4919 ( 2464 PWs) bands (ev): -46.4343 -46.4343 -24.0778 -24.0773 -22.0814 -22.0812 -21.9429 -21.9424 -19.0003 -19.0003 -8.4744 -8.4723 -7.6347 -7.6334 -7.4591 -7.4589 -2.7260 -2.7236 -2.4934 -2.4930 -2.4253 -2.4222 3.1747 3.1748 3.5472 3.5475 3.9367 3.9369 5.3082 5.3102 5.5825 5.5825 6.9172 6.9179 6.9527 6.9561 6.9733 6.9737 8.1791 8.1791 12.5362 12.5397 12.6482 12.6536 13.5020 13.5028 15.1401 15.1485 k = 0.0375 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0781 -24.0774 -22.0814 -22.0811 -21.9438 -21.9430 -19.0002 -19.0002 -8.4677 -8.4646 -7.6344 -7.6325 -7.4585 -7.4582 -2.7285 -2.7249 -2.4954 -2.4946 -2.4285 -2.4240 3.1748 3.1750 3.5471 3.5475 3.9413 3.9416 5.2929 5.2960 5.5647 5.5647 6.8898 6.8927 6.9667 6.9697 6.9932 6.9936 8.1794 8.1794 12.5403 12.5457 12.6484 12.6560 13.5026 13.5038 15.1767 15.1890 k = 0.0500 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0785 -24.0776 -22.0814 -22.0810 -21.9450 -21.9440 -19.0000 -19.0000 -8.4581 -8.4539 -7.6339 -7.6313 -7.4578 -7.4574 -2.7317 -2.7269 -2.4980 -2.4970 -2.4328 -2.4267 3.1750 3.1752 3.5469 3.5474 3.9477 3.9480 5.2724 5.2764 5.5408 5.5408 6.8484 6.8532 6.9892 6.9921 7.0204 7.0208 8.1798 8.1798 12.5463 12.5538 12.6498 12.6590 13.5035 13.5051 15.2279 15.2437 k = 0.0625 0.5000 0.4919 ( 2460 PWs) bands (ev): -46.4342 -46.4342 -24.0790 -24.0779 -22.0815 -22.0809 -21.9466 -21.9453 -18.9998 -18.9998 -8.4457 -8.4404 -7.6331 -7.6299 -7.4568 -7.4563 -2.7357 -2.7297 -2.5013 -2.5001 -2.4380 -2.4305 3.1753 3.1755 3.5467 3.5474 3.9558 3.9563 5.2472 5.2520 5.5117 5.5117 6.7955 6.8019 7.0177 7.0206 7.0543 7.0547 8.1802 8.1803 12.5541 12.5640 12.6528 12.6629 13.5047 13.5066 15.2927 15.3115 k = 0.0750 0.5000 0.4919 ( 2464 PWs) bands (ev): -46.4342 -46.4342 -24.0796 -24.0782 -22.0815 -22.0808 -21.9484 -21.9468 -18.9996 -18.9996 -8.4305 -8.4242 -7.6321 -7.6282 -7.4556 -7.4551 -2.7403 -2.7332 -2.5053 -2.5038 -2.4441 -2.4351 3.1756 3.1758 3.5465 3.5472 3.9657 3.9662 5.2177 5.2233 5.4781 5.4781 6.7322 6.7400 7.0512 7.0542 7.0938 7.0942 8.1808 8.1809 12.5636 12.5763 12.6580 12.6682 13.5061 13.5085 15.3698 15.3911 k = 0.0875 0.5000 0.4919 ( 2460 PWs) bands (ev): -46.4341 -46.4341 -24.0802 -24.0786 -22.0815 -22.0806 -21.9504 -21.9487 -18.9993 -18.9993 -8.4127 -8.4053 -7.6309 -7.6263 -7.4543 -7.4536 -2.7456 -2.7374 -2.5100 -2.5082 -2.4510 -2.4407 3.1759 3.1762 3.5461 3.5470 3.9772 3.9778 5.1845 5.1909 5.4410 5.4411 6.6593 6.6687 7.0889 7.0919 7.1381 7.1385 8.1815 8.1816 12.5748 12.5907 12.6658 12.6751 13.5079 13.5107 15.4581 15.4813 k = 0.1000 0.5000 0.4919 ( 2464 PWs) bands (ev): -46.4341 -46.4341 -24.0809 -24.0791 -22.0815 -22.0805 -21.9528 -21.9508 -18.9990 -18.9990 -8.3922 -8.3838 -7.6295 -7.6242 -7.4527 -7.4519 -2.7515 -2.7422 -2.5152 -2.5132 -2.4588 -2.4471 3.1763 3.1766 3.5457 3.5467 3.9902 3.9909 5.1482 5.1554 5.4012 5.4012 6.5779 6.5887 7.1302 7.1332 7.1863 7.1866 8.1823 8.1825 12.5877 12.6071 12.6764 12.6842 13.5099 13.5131 15.5561 15.5808 k = 0.1125 0.5000 0.4919 ( 2464 PWs) bands (ev): -46.4340 -46.4340 -24.0817 -24.0797 -22.0815 -22.0804 -21.9553 -21.9532 -18.9987 -18.9987 -8.3693 -8.3598 -7.6279 -7.6218 -7.4509 -7.4500 -2.7580 -2.7477 -2.5211 -2.5188 -2.4673 -2.4543 3.1768 3.1771 3.5451 3.5462 4.0048 4.0056 5.1094 5.1172 5.3593 5.3593 6.4889 6.5011 7.1743 7.1773 7.2375 7.2377 8.1832 8.1834 12.6023 12.6254 12.6901 12.6956 13.5122 13.5158 15.6623 15.6879 k = 0.1250 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4338 -46.4338 -24.0825 -24.0804 -22.0814 -22.0803 -21.9581 -21.9558 -18.9983 -18.9983 -8.3440 -8.3334 -7.6261 -7.6192 -7.4490 -7.4480 -2.7650 -2.7538 -2.5275 -2.5249 -2.4765 -2.4622 3.1773 3.1777 3.5443 3.5456 4.0207 4.0216 5.0684 5.0768 5.3159 5.3159 6.3934 6.4069 7.2208 7.2237 7.2910 7.2912 8.1842 8.1844 12.6188 12.6457 12.7069 12.7097 13.5147 13.5187 15.7754 15.8013 k = 0.1375 0.5000 0.4919 ( 2452 PWs) bands (ev): -46.4337 -46.4337 -24.0834 -24.0811 -22.0814 -22.0801 -21.9611 -21.9587 -18.9978 -18.9978 -8.3164 -8.3047 -7.6241 -7.6164 -7.4468 -7.4458 -2.7726 -2.7605 -2.5345 -2.5316 -2.4864 -2.4708 3.1778 3.1782 3.5434 3.5448 4.0379 4.0388 5.0256 5.0346 5.2716 5.2717 6.2923 6.3071 7.2691 7.2719 7.3462 7.3464 8.1853 8.1855 12.6374 12.6678 12.7266 12.7267 13.5175 13.5219 15.8937 15.9195 k = 0.1500 0.5000 0.4919 ( 2452 PWs) bands (ev): -46.4336 -46.4336 -24.0843 -24.0819 -22.0814 -22.0800 -21.9642 -21.9617 -18.9974 -18.9974 -8.2867 -8.2739 -7.6219 -7.6134 -7.4445 -7.4434 -2.7807 -2.7677 -2.5419 -2.5387 -2.4968 -2.4800 3.1784 3.1788 3.5422 3.5437 4.0563 4.0573 4.9814 4.9910 5.2269 5.2269 6.1868 6.2028 7.3187 7.3214 7.4026 7.4028 8.1864 8.1866 12.6580 12.6917 12.7466 12.7495 13.5204 13.5252 16.0158 16.0408 k = 0.1625 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4334 -46.4334 -24.0853 -24.0827 -22.0814 -22.0799 -21.9675 -21.9649 -18.9969 -18.9969 -8.2550 -8.2411 -7.6196 -7.6102 -7.4421 -7.4408 -2.7891 -2.7753 -2.5497 -2.5462 -2.5077 -2.4897 3.1790 3.1795 3.5407 3.5424 4.0757 4.0767 4.9360 4.9461 5.1820 5.1821 6.0780 6.0951 7.3691 7.3717 7.4596 7.4598 8.1876 8.1879 12.6810 12.7174 12.7695 12.7750 13.5235 13.5288 16.1400 16.1638 k = 0.1750 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4334 -46.4334 -24.0863 -24.0836 -22.0814 -22.0797 -21.9710 -21.9683 -18.9964 -18.9964 -8.2216 -8.2065 -7.6171 -7.6067 -7.4396 -7.4382 -2.7979 -2.7835 -2.5580 -2.5541 -2.5190 -2.5000 3.1796 3.1802 3.5389 3.5407 4.0961 4.0971 4.8896 4.9001 5.1374 5.1375 5.9668 5.9851 7.4200 7.4224 7.5169 7.5171 8.1889 8.1892 12.7064 12.7448 12.7953 12.8031 13.5268 13.5325 16.2645 16.2865 k = 0.1875 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4333 -46.4333 -24.0873 -24.0846 -22.0814 -22.0796 -21.9745 -21.9718 -18.9959 -18.9959 -8.1866 -8.1702 -7.6145 -7.6030 -7.4369 -7.4354 -2.8070 -2.7920 -2.5665 -2.5623 -2.5306 -2.5106 3.1803 3.1809 3.5366 3.5386 4.1172 4.1183 4.8423 4.8532 5.0933 5.0934 5.8544 5.8738 7.4710 7.4732 7.5740 7.5743 8.1902 8.1905 12.7341 12.7740 12.8239 12.8336 13.5302 13.5364 16.3875 16.4072 k = 0.2000 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4333 -46.4333 -24.0884 -24.0856 -22.0814 -22.0795 -21.9781 -21.9754 -18.9953 -18.9953 -8.1501 -8.1325 -7.6118 -7.5992 -7.4341 -7.4325 -2.8164 -2.8008 -2.5754 -2.5708 -2.5425 -2.5217 3.1810 3.1816 3.5338 3.5360 4.1390 4.1401 4.7941 4.8054 5.0499 5.0500 5.7419 5.7622 7.5218 7.5238 7.6307 7.6309 8.1915 8.1919 12.7642 12.8051 12.8551 12.8664 13.5338 13.5404 16.5071 16.5236 k = 0.2125 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4332 -46.4332 -24.0895 -24.0866 -22.0814 -22.0794 -21.9818 -21.9791 -18.9948 -18.9948 -8.1125 -8.0936 -7.6090 -7.5951 -7.4312 -7.4295 -2.8260 -2.8100 -2.5845 -2.5795 -2.5546 -2.5329 3.1817 3.1823 3.5305 3.5327 4.1613 4.1624 4.7450 4.7566 5.0075 5.0075 5.6305 5.6516 7.5720 7.5739 7.6866 7.6868 8.1929 8.1934 12.7967 12.8380 12.8887 12.9012 13.5374 13.5445 16.6208 16.6336 k = 0.2250 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4330 -46.4330 -24.0906 -24.0877 -22.0815 -22.0793 -21.9855 -21.9828 -18.9942 -18.9942 -8.0740 -8.0536 -7.6061 -7.5907 -7.4283 -7.4264 -2.8357 -2.8193 -2.5937 -2.5884 -2.5668 -2.5443 3.1824 3.1831 3.5263 3.5288 4.1840 4.1851 4.6950 4.7068 4.9661 4.9662 5.5212 5.5430 7.6214 7.6231 7.7414 7.7417 8.1944 8.1949 12.8313 12.8727 12.9243 12.9379 13.5411 13.5488 16.7263 16.7346 k = 0.2375 0.5000 0.4919 ( 2440 PWs) bands (ev): -46.4329 -46.4329 -24.0918 -24.0888 -22.0815 -22.0793 -21.9892 -21.9866 -18.9936 -18.9936 -8.0347 -8.0128 -7.6030 -7.5862 -7.4253 -7.4233 -2.8454 -2.8288 -2.6031 -2.5974 -2.5790 -2.5559 3.1831 3.1838 3.5213 3.5239 4.2069 4.2081 4.6439 4.6558 4.9260 4.9260 5.4153 5.4375 7.6697 7.6713 7.7949 7.7953 8.1958 8.1964 12.8680 12.9091 12.9618 12.9762 13.5449 13.5531 16.8209 16.8239 k = 0.2500 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4328 -46.4328 -24.0929 -24.0899 -22.0816 -22.0792 -21.9929 -21.9904 -18.9931 -18.9931 -7.9951 -7.9715 -7.5999 -7.5813 -7.4223 -7.4201 -2.8552 -2.8385 -2.6126 -2.6064 -2.5911 -2.5675 3.1838 3.1846 3.5153 3.5180 4.2300 4.2311 4.5917 4.6035 4.8872 4.8872 5.3138 5.3362 7.7168 7.7182 7.8469 7.8473 8.1973 8.1980 12.9065 12.9471 13.0008 13.0160 13.5487 13.5575 16.8992 16.9019 k = 0.2625 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4328 -46.4328 -24.0940 -24.0911 -22.0817 -22.0792 -21.9965 -21.9942 -18.9925 -18.9925 -7.9554 -7.9299 -7.5967 -7.5761 -7.4192 -7.4169 -2.8650 -2.8482 -2.6220 -2.6154 -2.6032 -2.5791 3.1845 3.1853 3.5081 3.5109 4.2529 4.2541 4.5383 4.5497 4.8498 4.8499 5.2178 5.2402 7.7625 7.7637 7.8972 7.8977 8.1987 8.1995 12.9467 12.9865 13.0410 13.0570 13.5526 13.5620 16.9591 16.9678 k = 0.2750 0.5000 0.4919 ( 2452 PWs) bands (ev): -46.4328 -46.4328 -24.0951 -24.0922 -22.0818 -22.0792 -22.0001 -21.9979 -18.9919 -18.9919 -7.9159 -7.8884 -7.5934 -7.5705 -7.4161 -7.4137 -2.8746 -2.8579 -2.6314 -2.6244 -2.6150 -2.5905 3.1852 3.1860 3.4994 3.5024 4.2758 4.2769 4.4836 4.4944 4.8141 4.8142 5.1284 5.1503 7.8065 7.8076 7.9456 7.9463 8.2002 8.2011 12.9882 13.0270 13.0823 13.0990 13.5564 13.5665 17.0034 17.0179 k = 0.2875 0.5000 0.4919 ( 2452 PWs) bands (ev): -46.4327 -46.4327 -24.0962 -24.0933 -22.0820 -22.0793 -22.0035 -22.0015 -18.9914 -18.9914 -7.8770 -7.8472 -7.5899 -7.5645 -7.4130 -7.4105 -2.8840 -2.8675 -2.6407 -2.6332 -2.6266 -2.6018 3.1859 3.1867 3.4891 3.4922 4.2982 4.2994 4.4280 4.4378 4.7799 4.7800 5.0462 5.0673 7.8488 7.8497 7.9919 7.9928 8.2016 8.2028 13.0308 13.0685 13.1242 13.1417 13.5603 13.5712 17.0335 17.0531 k = 0.3000 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4325 -46.4325 -24.0973 -24.0945 -22.0821 -22.0794 -22.0069 -22.0050 -18.9908 -18.9908 -7.8392 -7.8067 -7.5862 -7.5578 -7.4099 -7.4072 -2.8932 -2.8770 -2.6499 -2.6419 -2.6378 -2.6129 3.1865 3.1873 3.4769 3.4801 4.3202 4.3213 4.3718 4.3804 4.7475 4.7476 4.9717 4.9916 7.8891 7.8899 8.0360 8.0372 8.2031 8.2045 13.0741 13.1107 13.1665 13.1848 13.5642 13.5759 17.0515 17.0754 k = 0.3125 0.5000 0.4919 ( 2440 PWs) bands (ev): -46.4323 -46.4323 -24.0983 -24.0956 -22.0823 -22.0795 -22.0101 -22.0084 -18.9903 -18.9903 -7.8029 -7.7673 -7.5822 -7.5504 -7.4069 -7.4040 -2.9021 -2.8863 -2.6588 -2.6503 -2.6486 -2.6237 3.1870 3.1878 3.4626 3.4658 4.3157 4.3228 4.3418 4.3429 4.7168 4.7169 4.9048 4.9234 7.9274 7.9281 8.0777 8.0793 8.2045 8.2063 13.1179 13.1531 13.2088 13.2279 13.5682 13.5808 17.0598 17.0873 k = 0.3250 0.5000 0.4919 ( 2436 PWs) bands (ev): -46.4322 -46.4322 -24.0993 -24.0966 -22.0825 -22.0796 -22.0131 -22.0117 -18.9897 -18.9897 -7.7687 -7.7296 -7.5775 -7.5419 -7.4038 -7.4008 -2.9107 -2.8954 -2.6674 -2.6591 -2.6583 -2.6340 3.1875 3.1883 3.4459 3.4491 4.2609 4.2666 4.3624 4.3635 4.6879 4.6881 4.8455 4.8624 7.9636 7.9642 8.1168 8.1190 8.2058 8.2084 13.1618 13.1955 13.2507 13.2708 13.5722 13.5858 17.0610 17.0914 k = 0.3375 0.5000 0.4919 ( 2436 PWs) bands (ev): -46.4321 -46.4321 -24.1002 -24.0977 -22.0827 -22.0799 -22.0160 -22.0148 -18.9892 -18.9892 -7.7370 -7.6944 -7.5718 -7.5323 -7.4008 -7.3975 -2.9188 -2.9041 -2.6757 -2.6689 -2.6662 -2.6440 3.1878 3.1887 3.4267 3.4298 4.2082 4.2125 4.3823 4.3833 4.6609 4.6611 4.7931 4.8084 7.9975 7.9980 8.1525 8.1563 8.2072 8.2112 13.2054 13.2375 13.2917 13.3129 13.5763 13.5911 17.0570 17.0896 k = 0.3500 0.5000 0.4919 ( 2440 PWs) bands (ev): -46.4321 -46.4321 -24.1011 -24.0987 -22.0829 -22.0801 -22.0187 -22.0177 -18.9888 -18.9888 -7.7085 -7.6628 -7.5642 -7.5211 -7.3977 -7.3943 -2.9266 -2.9126 -2.6836 -2.6782 -2.6736 -2.6536 3.1880 3.1889 3.4051 3.4081 4.1588 4.1618 4.4012 4.4021 4.6358 4.6360 4.7471 4.7607 8.0292 8.0296 8.1829 8.1906 8.2088 8.2169 13.2482 13.2787 13.3314 13.3538 13.5806 13.5968 17.0495 17.0837 k = 0.3625 0.5000 0.4919 ( 2440 PWs) bands (ev): -46.4320 -46.4320 -24.1020 -24.0997 -22.0832 -22.0804 -22.0212 -22.0204 -18.9883 -18.9883 -7.6837 -7.6367 -7.5533 -7.5084 -7.3946 -7.3910 -2.9338 -2.9206 -2.6911 -2.6870 -2.6805 -2.6626 3.1879 3.1889 3.3814 3.3840 4.1135 4.1155 4.4190 4.4199 4.6126 4.6128 4.7068 4.7188 8.0585 8.0588 8.2005 8.2087 8.2241 8.2326 13.2899 13.3187 13.3691 13.3929 13.5852 13.6030 17.0397 17.0750 k = 0.3750 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4320 -46.4320 -24.1027 -24.1006 -22.0834 -22.0807 -22.0235 -22.0228 -18.9879 -18.9879 -7.6627 -7.6175 -7.5378 -7.4942 -7.3914 -7.3877 -2.9405 -2.9282 -2.6982 -2.6950 -2.6870 -2.6710 3.1876 3.1886 3.3558 3.3582 4.0731 4.0742 4.4356 4.4365 4.5913 4.5916 4.6717 4.6821 8.0854 8.0856 8.2064 8.2103 8.2532 8.2573 13.3301 13.3570 13.4044 13.4296 13.5905 13.6098 17.0285 17.0644 k = 0.3875 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4319 -46.4319 -24.1034 -24.1015 -22.0837 -22.0811 -22.0256 -22.0251 -18.9875 -18.9875 -7.6454 -7.6051 -7.5184 -7.4791 -7.3880 -7.3842 -2.9465 -2.9352 -2.7047 -2.7024 -2.6929 -2.6788 3.1868 3.1879 3.3294 3.3313 4.0378 4.0383 4.4508 4.4517 4.5721 4.5724 4.6411 4.6501 8.1097 8.1099 8.2091 8.2114 8.2799 8.2825 13.3682 13.3933 13.4364 13.4631 13.5968 13.6175 17.0169 17.0526 k = 0.4000 0.5000 0.4919 ( 2444 PWs) bands (ev): -46.4319 -46.4319 -24.1041 -24.1023 -22.0839 -22.0815 -22.0275 -22.0271 -18.9871 -18.9871 -7.6316 -7.5973 -7.4974 -7.4638 -7.3843 -7.3805 -2.9520 -2.9418 -2.7107 -2.7091 -2.6983 -2.6860 3.1853 3.1865 3.3031 3.3045 4.0076 4.0076 4.4647 4.4655 4.5550 4.5552 4.6146 4.6223 8.1316 8.1317 8.2108 8.2125 8.3039 8.3058 13.4038 13.4270 13.4647 13.4923 13.6047 13.6264 17.0053 17.0402 k = 0.4125 0.5000 0.4919 ( 2452 PWs) bands (ev): -46.4319 -46.4319 -24.1046 -24.1031 -22.0841 -22.0819 -22.0291 -22.0288 -18.9868 -18.9868 -7.6206 -7.5924 -7.4771 -7.4493 -7.3801 -7.3765 -2.9569 -2.9477 -2.7161 -2.7151 -2.7030 -2.6925 3.1826 3.1840 3.2782 3.2792 3.9820 3.9822 4.4769 4.4777 4.5400 4.5403 4.5920 4.5985 8.1509 8.1510 8.2122 8.2134 8.3252 8.3266 13.4365 13.4577 13.4887 13.5162 13.6149 13.6364 16.9944 17.0276 k = 0.4250 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4318 -46.4318 -24.1051 -24.1037 -22.0843 -22.0823 -22.0305 -22.0303 -18.9865 -18.9865 -7.6118 -7.5892 -7.4589 -7.4366 -7.3751 -7.3720 -2.9610 -2.9530 -2.7208 -2.7203 -2.7071 -2.6982 3.1782 3.1797 3.2565 3.2569 3.9611 3.9615 4.4872 4.4880 4.5273 4.5277 4.5728 4.5783 8.1676 8.1676 8.2134 8.2143 8.3437 8.3448 13.4658 13.4851 13.5084 13.5343 13.6276 13.6475 16.9845 17.0152 k = 0.4375 0.5000 0.4919 ( 2448 PWs) bands (ev): -46.4318 -46.4318 -24.1055 -24.1043 -22.0844 -22.0827 -22.0317 -22.0316 -18.9863 -18.9863 -7.6049 -7.5871 -7.4437 -7.4265 -7.3694 -7.3671 -2.9644 -2.9577 -2.7250 -2.7247 -2.7105 -2.7032 3.1714 3.1729 3.2396 3.2396 3.9444 3.9448 4.4948 4.4957 4.5178 4.5183 4.5570 4.5614 8.1816 8.1816 8.2146 8.2153 8.3594 8.3603 13.4911 13.5082 13.5243 13.5470 13.6420 13.6588 16.9760 17.0033 k = 0.4500 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1058 -24.1048 -22.0845 -22.0831 -22.0327 -22.0327 -18.9861 -18.9861 -7.5994 -7.5858 -7.4318 -7.4192 -7.3633 -7.3619 -2.9671 -2.9617 -2.7284 -2.7283 -2.7133 -2.7075 3.1622 3.1636 3.2278 3.2280 3.9314 3.9317 4.4971 4.4978 4.5142 4.5145 4.5444 4.5478 8.1927 8.1927 8.2159 8.2163 8.3723 8.3729 13.5121 13.5258 13.5378 13.5558 13.6564 13.6697 16.9693 16.9922 k = 0.4625 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1053 -22.0846 -22.0835 -22.0335 -22.0334 -18.9859 -18.9859 -7.5950 -7.5852 -7.4230 -7.4143 -7.3575 -7.3568 -2.9691 -2.9650 -2.7311 -2.7311 -2.7153 -2.7110 3.1523 3.1533 3.2209 3.2212 3.9217 3.9220 4.4940 4.4943 4.5165 4.5166 4.5348 4.5372 8.2008 8.2009 8.2174 8.2177 8.3824 8.3828 13.5282 13.5371 13.5504 13.5621 13.6693 13.6790 16.9645 16.9824 k = 0.4750 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1061 -24.1056 -22.0845 -22.0838 -22.0340 -22.0340 -18.9858 -18.9858 -7.5916 -7.5853 -7.4169 -7.4116 -7.3528 -7.3526 -2.9703 -2.9676 -2.7331 -2.7330 -2.7165 -2.7137 3.1437 3.1444 3.2172 3.2173 3.9150 3.9153 4.4901 4.4902 4.5196 4.5197 4.5282 4.5298 8.2059 8.2060 8.2192 8.2194 8.3895 8.3898 13.5392 13.5436 13.5607 13.5668 13.6796 13.6859 16.9619 16.9742 k = 0.4875 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1061 -24.1059 -22.0844 -22.0841 -22.0343 -22.0343 -18.9858 -18.9858 -7.5890 -7.5859 -7.4131 -7.4105 -7.3497 -7.3497 -2.9708 -2.9694 -2.7343 -2.7342 -2.7170 -2.7156 3.1380 3.1384 3.2153 3.2154 3.9112 3.9113 4.4875 4.4875 4.5212 4.5215 4.5250 4.5255 8.2084 8.2085 8.2209 8.2209 8.3939 8.3940 13.5454 13.5469 13.5675 13.5698 13.6866 13.6897 16.9615 16.9678 k = 0.5000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1060 -22.0843 -22.0843 -22.0344 -22.0344 -18.9857 -18.9857 -7.5871 -7.5871 -7.4110 -7.4110 -7.3487 -7.3487 -2.9705 -2.9705 -2.7346 -2.7346 -2.7167 -2.7167 3.1362 3.1362 3.2148 3.2148 3.9099 3.9099 4.4866 4.4866 4.5214 4.5214 4.5245 4.5245 8.2092 8.2092 8.2216 8.2216 8.3954 8.3954 13.5476 13.5476 13.5704 13.5704 13.6900 13.6900 16.9635 16.9635 k = 0.5000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1060 -22.0843 -22.0843 -22.0344 -22.0344 -18.9857 -18.9857 -7.5871 -7.5871 -7.4110 -7.4110 -7.3487 -7.3487 -2.9705 -2.9705 -2.7346 -2.7346 -2.7167 -2.7167 3.1362 3.1362 3.2148 3.2148 3.9099 3.9099 4.4866 4.4866 4.5214 4.5214 4.5245 4.5245 8.2092 8.2092 8.2216 8.2216 8.3954 8.3954 13.5476 13.5476 13.5704 13.5704 13.6900 13.6900 16.9635 16.9635 k = 0.4911 0.4911 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1061 -24.1059 -22.0844 -22.0841 -22.0343 -22.0343 -18.9858 -18.9858 -7.5891 -7.5859 -7.4131 -7.4105 -7.3498 -7.3498 -2.9708 -2.9694 -2.7343 -2.7342 -2.7170 -2.7155 3.1381 3.1385 3.2153 3.2154 3.9112 3.9113 4.4875 4.4875 4.5213 4.5220 4.5248 4.5251 8.2084 8.2085 8.2208 8.2209 8.3939 8.3940 13.5454 13.5469 13.5676 13.5697 13.6866 13.6896 16.9615 16.9678 k = 0.4821 0.4821 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1061 -24.1056 -22.0845 -22.0838 -22.0340 -22.0340 -18.9858 -18.9858 -7.5917 -7.5853 -7.4168 -7.4116 -7.3529 -7.3529 -2.9703 -2.9675 -2.7331 -2.7329 -2.7165 -2.7136 3.1442 3.1449 3.2169 3.2171 3.9151 3.9153 4.4902 4.4904 4.5214 4.5229 4.5260 4.5269 8.2062 8.2063 8.2188 8.2189 8.3894 8.3897 13.5401 13.5431 13.5613 13.5654 13.6794 13.6856 16.9621 16.9743 k = 0.4732 0.4732 0.4919 ( 2458 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1053 -22.0846 -22.0834 -22.0334 -22.0334 -18.9860 -18.9860 -7.5950 -7.5853 -7.4221 -7.4141 -7.3582 -7.3581 -2.9690 -2.9650 -2.7313 -2.7308 -2.7153 -2.7107 3.1544 3.1555 3.2196 3.2198 3.9216 3.9219 4.4947 4.4949 4.5216 4.5239 4.5289 4.5301 8.2024 8.2025 8.2156 8.2157 8.3821 8.3826 13.5312 13.5365 13.5520 13.5574 13.6686 13.6779 16.9654 16.9828 k = 0.4643 0.4643 0.4919 ( 2454 PWs) bands (ev): -46.4318 -46.4318 -24.1057 -24.1048 -22.0845 -22.0830 -22.0327 -22.0327 -18.9861 -18.9861 -7.5991 -7.5859 -7.4292 -7.4180 -7.3656 -7.3652 -2.9670 -2.9617 -2.7288 -2.7277 -2.7134 -2.7070 3.1687 3.1702 3.2232 3.2235 3.9308 3.9312 4.5006 4.5008 4.5223 4.5252 4.5333 4.5348 8.1968 8.1969 8.2116 8.2116 8.3720 8.3726 13.5184 13.5267 13.5401 13.5460 13.6544 13.6669 16.9716 16.9933 k = 0.4554 0.4554 0.4919 ( 2446 PWs) bands (ev): -46.4317 -46.4317 -24.1054 -24.1043 -22.0844 -22.0825 -22.0317 -22.0317 -18.9863 -18.9863 -7.6041 -7.5873 -7.4379 -7.4233 -7.3749 -7.3742 -2.9642 -2.9577 -2.7258 -2.7238 -2.7107 -2.7023 3.1871 3.1889 3.2277 3.2280 3.9426 3.9430 4.5070 4.5071 4.5249 4.5281 4.5393 4.5410 8.1892 8.1892 8.2067 8.2068 8.3591 8.3599 13.5011 13.5135 13.5260 13.5315 13.6372 13.6529 16.9809 17.0058 k = 0.4464 0.4464 0.4919 ( 2446 PWs) bands (ev): -46.4318 -46.4318 -24.1050 -24.1036 -22.0843 -22.0820 -22.0304 -22.0304 -18.9866 -18.9866 -7.6101 -7.5893 -7.4482 -7.4297 -7.3862 -7.3849 -2.9608 -2.9531 -2.7222 -2.7192 -2.7072 -2.6966 3.2095 3.2117 3.2329 3.2331 3.9569 3.9574 4.5114 4.5128 4.5317 4.5343 4.5466 4.5486 8.1795 8.1796 8.2012 8.2014 8.3435 8.3445 13.4792 13.4958 13.5100 13.5146 13.6172 13.6360 16.9930 17.0204 k = 0.4375 0.4375 0.4919 ( 2454 PWs) bands (ev): -46.4320 -46.4320 -24.1046 -24.1029 -22.0841 -22.0814 -22.0290 -22.0290 -18.9869 -18.9869 -7.6171 -7.5921 -7.4603 -7.4371 -7.3993 -7.3971 -2.9566 -2.9480 -2.7182 -2.7138 -2.7030 -2.6901 3.2354 3.2375 3.2389 3.2395 3.9738 3.9743 4.5139 4.5167 4.5430 4.5448 4.5555 4.5576 8.1679 8.1680 8.1948 8.1952 8.3253 8.3265 13.4525 13.4728 13.4922 13.4962 13.5950 13.6166 17.0080 17.0371 k = 0.4286 0.4286 0.4919 ( 2446 PWs) bands (ev): -46.4319 -46.4319 -24.1040 -24.1021 -22.0838 -22.0808 -22.0274 -22.0274 -18.9872 -18.9872 -7.6254 -7.5959 -7.4738 -7.4455 -7.4141 -7.4107 -2.9517 -2.9423 -2.7136 -2.7079 -2.6977 -2.6827 3.2444 3.2446 3.2660 3.2689 3.9930 3.9934 4.5158 4.5201 4.5579 4.5588 4.5660 4.5682 8.1544 8.1547 8.1876 8.1881 8.3046 8.3060 13.4214 13.4441 13.4723 13.4766 13.5709 13.5951 17.0256 17.0558 k = 0.4196 0.4196 0.4919 ( 2438 PWs) bands (ev): -46.4318 -46.4318 -24.1033 -24.1013 -22.0834 -22.0801 -22.0255 -22.0255 -18.9875 -18.9875 -7.6351 -7.6008 -7.4888 -7.4545 -7.4304 -7.4253 -2.9463 -2.9361 -2.7085 -2.7017 -2.6913 -2.6744 3.2507 3.2507 3.2998 3.3031 4.0143 4.0145 4.5184 4.5240 4.5745 4.5753 4.5793 4.5805 8.1393 8.1397 8.1794 8.1802 8.2816 8.2832 13.3858 13.4102 13.4506 13.4555 13.5453 13.5717 17.0457 17.0764 k = 0.4107 0.4107 0.4919 ( 2438 PWs) bands (ev): -46.4319 -46.4319 -24.1026 -24.1003 -22.0830 -22.0794 -22.0235 -22.0235 -18.9880 -18.9879 -7.6464 -7.6072 -7.5051 -7.4642 -7.4480 -7.4407 -2.9403 -2.9295 -2.7031 -2.6955 -2.6837 -2.6654 3.2568 3.2569 3.3372 3.3408 4.0374 4.0375 4.5222 4.5293 4.5893 4.5928 4.5969 4.5979 8.1226 8.1230 8.1703 8.1714 8.2562 8.2582 13.3461 13.3713 13.4269 13.4328 13.5185 13.5466 17.0678 17.0987 k = 0.4018 0.4018 0.4919 ( 2438 PWs) bands (ev): -46.4320 -46.4320 -24.1018 -24.0993 -22.0825 -22.0786 -22.0213 -22.0213 -18.9884 -18.9884 -7.6594 -7.6156 -7.5221 -7.4750 -7.4660 -7.4567 -2.9338 -2.9225 -2.6972 -2.6890 -2.6749 -2.6556 3.2628 3.2630 3.3780 3.3821 4.0615 4.0621 4.5279 4.5365 4.6044 4.6084 4.6194 4.6203 8.1043 8.1048 8.1600 8.1616 8.2288 8.2313 13.3023 13.3278 13.4015 13.4085 13.4905 13.5200 17.0917 17.1223 k = 0.3929 0.3929 0.4919 ( 2434 PWs) bands (ev): -46.4320 -46.4320 -24.1008 -24.0982 -22.0820 -22.0777 -22.0189 -22.0189 -18.9889 -18.9889 -7.6744 -7.6265 -7.5396 -7.4904 -7.4806 -7.4727 -2.9268 -2.9153 -2.6909 -2.6824 -2.6652 -2.6453 3.2685 3.2689 3.4221 3.4265 4.0864 4.0875 4.5361 4.5464 4.6210 4.6254 4.6449 4.6456 8.0845 8.0851 8.1485 8.1507 8.1994 8.2027 13.2547 13.2801 13.3745 13.3826 13.4615 13.4921 17.1170 17.1471 k = 0.3839 0.3839 0.4919 ( 2434 PWs) bands (ev): -46.4321 -46.4321 -24.0999 -24.0970 -22.0814 -22.0769 -22.0163 -22.0163 -18.9894 -18.9894 -7.6915 -7.6407 -7.5571 -7.5108 -7.4909 -7.4884 -2.9195 -2.9077 -2.6841 -2.6755 -2.6547 -2.6344 3.2738 3.2745 3.4692 3.4741 4.1114 4.1133 4.5474 4.5595 4.6392 4.6440 4.6734 4.6738 8.0633 8.0640 8.1352 8.1388 8.1682 8.1729 13.2034 13.2283 13.3459 13.3553 13.4315 13.4630 17.1432 17.1727 k = 0.3750 0.3750 0.4919 ( 2434 PWs) bands (ev): -46.4322 -46.4322 -24.0988 -24.0958 -22.0808 -22.0759 -22.0135 -22.0135 -18.9899 -18.9899 -7.7108 -7.6587 -7.5744 -7.5328 -7.5033 -7.5001 -2.9118 -2.8999 -2.6770 -2.6683 -2.6436 -2.6231 3.2787 3.2796 3.5193 3.5246 4.1359 4.1386 4.5624 4.5765 4.6592 4.6644 4.7050 4.7051 8.0408 8.0416 8.1187 8.1259 8.1354 8.1437 13.1486 13.1729 13.3161 13.3267 13.4005 13.4329 17.1700 17.1986 k = 0.3661 0.3661 0.4919 ( 2432 PWs) bands (ev): -46.4323 -46.4323 -24.0977 -24.0945 -22.0801 -22.0750 -22.0106 -22.0106 -18.9905 -18.9905 -7.7323 -7.6804 -7.5917 -7.5558 -7.5169 -7.5087 -2.9037 -2.8919 -2.6696 -2.6608 -2.6319 -2.6114 3.2832 3.2842 3.5721 3.5778 4.1592 4.1628 4.5816 4.5977 4.6812 4.6868 4.7397 4.7398 8.0171 8.0179 8.0946 8.1011 8.1118 8.1195 13.0906 13.1140 13.2851 13.2971 13.3687 13.4019 17.1969 17.2245 k = 0.3571 0.3571 0.4919 ( 2438 PWs) bands (ev): -46.4324 -46.4324 -24.0965 -24.0932 -22.0793 -22.0740 -22.0075 -22.0075 -18.9911 -18.9911 -7.7559 -7.7055 -7.6097 -7.5795 -7.5287 -7.5166 -2.8955 -2.8838 -2.6618 -2.6530 -2.6198 -2.5994 3.2871 3.2884 3.6273 3.6334 4.1809 4.1855 4.6053 4.6233 4.7051 4.7112 4.7779 4.7781 7.9920 7.9930 8.0629 8.0656 8.0966 8.1005 13.0295 13.0519 13.2532 13.2665 13.3362 13.3701 17.2234 17.2500 k = 0.3482 0.3482 0.4919 ( 2434 PWs) bands (ev): -46.4325 -46.4325 -24.0952 -24.0918 -22.0785 -22.0729 -22.0043 -22.0043 -18.9917 -18.9917 -7.7816 -7.7333 -7.6287 -7.6037 -7.5386 -7.5239 -2.8870 -2.8756 -2.6537 -2.6450 -2.6073 -2.5873 3.2905 3.2920 3.6847 3.6912 4.2009 4.2063 4.6335 4.6532 4.7312 4.7377 4.8199 4.8202 7.9658 7.9668 8.0277 8.0289 8.0802 8.0827 12.9655 12.9869 13.2206 13.2352 13.3029 13.3375 17.2492 17.2746 k = 0.3393 0.3393 0.4919 ( 2430 PWs) bands (ev): -46.4326 -46.4326 -24.0939 -24.0903 -22.0777 -22.0719 -22.0009 -22.0009 -18.9924 -18.9923 -7.8091 -7.7634 -7.6490 -7.6285 -7.5468 -7.5305 -2.8783 -2.8672 -2.6453 -2.6367 -2.5947 -2.5751 3.2934 3.2951 3.7440 3.7509 4.2192 4.2253 4.6659 4.6871 4.7597 4.7666 4.8661 4.8664 7.9383 7.9394 7.9910 7.9914 8.0626 8.0643 12.8987 12.9191 13.1874 13.2033 13.2691 13.3044 17.2735 17.2979 k = 0.3304 0.3304 0.4919 ( 2430 PWs) bands (ev): -46.4327 -46.4327 -24.0926 -24.0888 -22.0768 -22.0708 -21.9974 -21.9974 -18.9931 -18.9930 -7.8384 -7.7954 -7.6705 -7.6536 -7.5536 -7.5365 -2.8696 -2.8588 -2.6367 -2.6282 -2.5821 -2.5629 3.2958 3.2977 3.8049 3.8122 4.2359 4.2426 4.7019 4.7244 4.7906 4.7980 4.9168 4.9169 7.9097 7.9108 7.9532 7.9533 8.0437 8.0450 12.8294 12.8487 13.1538 13.1709 13.2349 13.2709 17.2960 17.3194 k = 0.3214 0.3214 0.4919 ( 2442 PWs) bands (ev): -46.4330 -46.4330 -24.0912 -24.0873 -22.0759 -22.0697 -21.9938 -21.9938 -18.9938 -18.9937 -7.8691 -7.8287 -7.6930 -7.6791 -7.5591 -7.5420 -2.8608 -2.8505 -2.6279 -2.6195 -2.5694 -2.5508 3.2978 3.2999 3.8671 3.8747 4.2517 4.2588 4.7410 4.7643 4.8242 4.8320 4.9719 4.9721 7.8798 7.8810 7.9146 7.9151 8.0235 8.0245 12.7576 12.7759 13.1200 13.1382 13.2004 13.2370 17.3155 17.3386 k = 0.3125 0.3125 0.4919 ( 2438 PWs) bands (ev): -46.4330 -46.4330 -24.0897 -24.0857 -22.0749 -22.0686 -21.9901 -21.9901 -18.9944 -18.9943 -7.9011 -7.8632 -7.7164 -7.7049 -7.5638 -7.5469 -2.8519 -2.8420 -2.6189 -2.6107 -2.5569 -2.5389 3.2993 3.3016 3.9302 3.9381 4.2668 4.2742 4.7826 4.8063 4.8608 4.8688 5.0315 5.0321 7.8485 7.8497 7.8760 7.8768 8.0021 8.0028 12.6837 12.7009 13.0861 13.1054 13.1657 13.2030 17.3217 17.3465 k = 0.3036 0.3036 0.4919 ( 2442 PWs) bands (ev): -46.4332 -46.4332 -24.0882 -24.0842 -22.0739 -22.0674 -21.9863 -21.9863 -18.9951 -18.9950 -7.9343 -7.8986 -7.7405 -7.7309 -7.5677 -7.5513 -2.8430 -2.8337 -2.6098 -2.6018 -2.5447 -2.5274 3.3004 3.3029 3.9940 4.0021 4.2819 4.2894 4.8261 4.8499 4.9004 4.9085 5.0955 5.0967 7.8157 7.8169 7.8376 7.8387 7.9793 7.9798 12.6075 12.6237 13.0524 13.0726 13.1311 13.1689 17.2571 17.2716 k = 0.2946 0.2946 0.4919 ( 2442 PWs) bands (ev): -46.4333 -46.4333 -24.0866 -24.0825 -22.0728 -22.0662 -21.9824 -21.9824 -18.9959 -18.9957 -7.9683 -7.9347 -7.7650 -7.7570 -7.5709 -7.5553 -2.8341 -2.8253 -2.6006 -2.5928 -2.5327 -2.5162 3.3012 3.3038 4.0580 4.0662 4.2974 4.3048 4.8711 4.8947 4.9433 4.9513 5.1638 5.1656 7.7810 7.7823 7.8001 7.8014 7.9552 7.9555 12.5294 12.5445 13.0189 13.0400 13.0968 13.1350 17.1687 17.1842 k = 0.2857 0.2857 0.4919 ( 2446 PWs) bands (ev): -46.4335 -46.4335 -24.0851 -24.0809 -22.0717 -22.0651 -21.9785 -21.9785 -18.9966 -18.9964 -8.0030 -7.9714 -7.7900 -7.7833 -7.5737 -7.5588 -2.8253 -2.8171 -2.5913 -2.5838 -2.5212 -2.5054 3.3018 3.3044 4.1220 4.1300 4.3137 4.3210 4.9175 4.9408 4.9893 4.9971 5.2362 5.2385 7.7447 7.7460 7.7633 7.7648 7.9297 7.9298 12.4494 12.4634 12.9858 13.0075 13.0627 13.1014 17.0701 17.0871 k = 0.2768 0.2768 0.4919 ( 2446 PWs) bands (ev): -46.4337 -46.4337 -24.0835 -24.0793 -22.0706 -22.0639 -21.9745 -21.9744 -18.9973 -18.9972 -8.0382 -8.0083 -7.8151 -7.8095 -7.5760 -7.5619 -2.8166 -2.8089 -2.5821 -2.5748 -2.5101 -2.4952 3.3020 3.3048 4.1854 4.1931 4.3314 4.3383 4.9653 4.9881 5.0386 5.0461 5.3122 5.3151 7.7072 7.7086 7.7271 7.7286 7.9028 7.9028 12.3676 12.3807 12.9533 12.9755 13.0293 13.0682 16.9639 16.9824 k = 0.2679 0.2679 0.4919 ( 2448 PWs) bands (ev): -46.4338 -46.4338 -24.0819 -24.0776 -22.0695 -22.0627 -21.9704 -21.9704 -18.9980 -18.9979 -8.0737 -8.0455 -7.8405 -7.8358 -7.5779 -7.5646 -2.8080 -2.8009 -2.5728 -2.5659 -2.4996 -2.4855 3.3021 3.3049 4.2482 4.2549 4.3509 4.3569 5.0142 5.0367 5.0910 5.0983 5.3914 5.3948 7.6693 7.6709 7.6907 7.6922 7.8743 7.8746 12.2841 12.2962 12.9214 12.9439 12.9967 13.0356 16.8517 16.8716 k = 0.2589 0.2589 0.4919 ( 2452 PWs) bands (ev): -46.4340 -46.4340 -24.0802 -24.0760 -22.0684 -22.0615 -21.9663 -21.9663 -18.9987 -18.9986 -8.1095 -8.0828 -7.8658 -7.8619 -7.5794 -7.5669 -2.7996 -2.7930 -2.5637 -2.5571 -2.4898 -2.4765 3.3020 3.3049 4.3098 4.3141 4.3736 4.3772 5.0643 5.0867 5.1464 5.1534 5.4735 5.4775 7.6316 7.6334 7.6540 7.6554 7.8446 7.8449 12.1992 12.2103 12.8903 12.9128 12.9649 13.0037 16.7348 16.7559 k = 0.2500 0.2500 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0786 -24.0743 -22.0672 -22.0603 -21.9622 -21.9622 -18.9995 -18.9993 -8.1452 -8.1199 -7.8911 -7.8878 -7.5806 -7.5689 -2.7913 -2.7852 -2.5546 -2.5483 -2.4805 -2.4682 3.3018 3.3047 4.3663 4.3698 4.3998 4.4037 5.1156 5.1379 5.2048 5.2116 5.5582 5.5625 7.5942 7.5963 7.6167 7.6180 7.8134 7.8140 12.1128 12.1230 12.8601 12.8824 12.9342 12.9727 16.6140 16.6362 k = 0.2411 0.2411 0.4919 ( 2460 PWs) bands (ev): -46.4344 -46.4344 -24.0770 -24.0727 -22.0660 -22.0592 -21.9581 -21.9581 -19.0002 -19.0000 -8.1809 -8.1569 -7.9163 -7.9135 -7.5815 -7.5705 -2.7833 -2.7777 -2.5457 -2.5398 -2.4720 -2.4605 3.3015 3.3044 4.4036 4.4196 4.4331 4.4492 5.1679 5.1903 5.2661 5.2727 5.6450 5.6496 7.5574 7.5597 7.5790 7.5802 7.7809 7.7817 12.0252 12.0345 12.8310 12.8527 12.9047 12.9427 16.4902 16.5134 k = 0.2321 0.2321 0.4919 ( 2460 PWs) bands (ev): -46.4345 -46.4345 -24.0753 -24.0711 -22.0648 -22.0580 -21.9540 -21.9540 -19.0009 -19.0007 -8.2163 -8.1935 -7.9413 -7.9389 -7.5821 -7.5718 -2.7754 -2.7704 -2.5370 -2.5315 -2.4640 -2.4535 3.3011 3.3041 4.4334 4.4478 4.4887 4.5028 5.2212 5.2436 5.3301 5.3363 5.7335 5.7385 7.5209 7.5234 7.5413 7.5424 7.7471 7.7481 11.9364 11.9449 12.8029 12.8238 12.8766 12.9139 16.3640 16.3882 k = 0.2232 0.2232 0.4919 ( 2462 PWs) bands (ev): -46.4347 -46.4347 -24.0737 -24.0694 -22.0636 -22.0569 -21.9499 -21.9499 -19.0016 -19.0014 -8.2513 -8.2297 -7.9659 -7.9640 -7.5825 -7.5728 -2.7678 -2.7633 -2.5285 -2.5234 -2.4568 -2.4472 3.3007 3.3037 4.4629 4.4763 4.5448 4.5574 5.2752 5.2979 5.3964 5.4022 5.8235 5.8288 7.4839 7.4864 7.5046 7.5056 7.7121 7.7133 11.8466 11.8543 12.7761 12.7959 12.8500 12.8863 16.2359 16.2610 k = 0.2143 0.2143 0.4919 ( 2458 PWs) bands (ev): -46.4347 -46.4347 -24.0720 -24.0679 -22.0624 -22.0558 -21.9458 -21.9458 -19.0022 -19.0020 -8.2859 -8.2654 -7.9902 -7.9886 -7.5825 -7.5735 -2.7605 -2.7565 -2.5203 -2.5156 -2.4502 -2.4415 3.3003 3.3033 4.4938 4.5068 4.5997 4.6112 5.3300 5.3528 5.4646 5.4701 5.9146 5.9201 7.4453 7.4476 7.4702 7.4715 7.6758 7.6773 11.7559 11.7628 12.7506 12.7691 12.8249 12.8601 16.1065 16.1324 k = 0.2054 0.2054 0.4919 ( 2458 PWs) bands (ev): -46.4349 -46.4349 -24.0704 -24.0663 -22.0612 -22.0547 -21.9418 -21.9418 -19.0029 -19.0027 -8.3199 -8.3003 -8.0140 -8.0127 -7.5823 -7.5739 -2.7535 -2.7500 -2.5125 -2.5082 -2.4442 -2.4364 3.2999 3.3028 4.5267 4.5396 4.6532 4.6640 5.3852 5.4083 5.5343 5.5393 6.0065 6.0122 7.4045 7.4064 7.4390 7.4407 7.6385 7.6403 11.6646 11.6708 12.7264 12.7435 12.8014 12.8354 15.9763 16.0029 k = 0.1964 0.1964 0.4919 ( 2460 PWs) bands (ev): -46.4350 -46.4350 -24.0688 -24.0648 -22.0600 -22.0536 -21.9378 -21.9378 -19.0035 -19.0033 -8.3531 -8.3346 -8.0373 -8.0362 -7.5819 -7.5740 -2.7468 -2.7438 -2.5050 -2.5013 -2.4388 -2.4319 3.2996 3.3024 4.5616 4.5745 4.7056 4.7157 5.4409 5.4643 5.6049 5.6093 6.0989 6.1047 7.3620 7.3634 7.4106 7.4127 7.6003 7.6024 11.5727 11.5782 12.7037 12.7192 12.7795 12.8121 15.8456 15.8728 k = 0.1875 0.1875 0.4919 ( 2464 PWs) bands (ev): -46.4352 -46.4352 -24.0672 -24.0633 -22.0588 -22.0525 -21.9339 -21.9339 -19.0042 -19.0039 -8.3855 -8.3680 -8.0601 -8.0591 -7.5813 -7.5740 -2.7405 -2.7379 -2.4980 -2.4947 -2.4338 -2.4279 3.2993 3.3021 4.5987 4.6117 4.7568 4.7663 5.4967 5.5205 5.6756 5.6795 6.1914 6.1973 7.3180 7.3190 7.3851 7.3876 7.5613 7.5638 11.4804 11.4852 12.6825 12.6963 12.7592 12.7905 15.7148 15.7428 k = 0.1786 0.1786 0.4919 ( 2464 PWs) bands (ev): -46.4353 -46.4353 -24.0657 -24.0618 -22.0577 -22.0515 -21.9301 -21.9301 -19.0048 -19.0045 -8.4170 -8.4004 -8.0822 -8.0814 -7.5805 -7.5737 -2.7345 -2.7323 -2.4915 -2.4887 -2.4293 -2.4244 3.2990 3.3017 4.6378 4.6510 4.8070 4.8160 5.5526 5.5767 5.7459 5.7492 6.2838 6.2898 7.2729 7.2733 7.3622 7.3652 7.5219 7.5249 11.3879 11.3921 12.6628 12.6749 12.7406 12.7706 15.5846 15.6131 k = 0.1696 0.1696 0.4919 ( 2464 PWs) bands (ev): -46.4354 -46.4354 -24.0642 -24.0604 -22.0565 -22.0506 -21.9264 -21.9264 -19.0053 -19.0051 -8.4475 -8.4318 -8.1035 -8.1029 -7.5796 -7.5732 -2.7290 -2.7272 -2.4855 -2.4832 -2.4252 -2.4211 3.2988 3.3014 4.6790 4.6925 4.8563 4.8647 5.6083 5.6329 5.8148 5.8177 6.3756 6.3817 7.2266 7.2269 7.3418 7.3453 7.4826 7.4862 11.2954 11.2991 12.6448 12.6552 12.7236 12.7524 15.4552 15.4843 k = 0.1607 0.1607 0.4919 ( 2460 PWs) bands (ev): -46.4355 -46.4355 -24.0627 -24.0591 -22.0554 -22.0496 -21.9228 -21.9228 -19.0059 -19.0057 -8.4770 -8.4621 -8.1242 -8.1237 -7.5785 -7.5726 -2.7238 -2.7224 -2.4801 -2.4783 -2.4212 -2.4180 3.2987 3.3012 4.7222 4.7360 4.9046 4.9125 5.6636 5.6888 5.8818 5.8842 6.4664 6.4728 7.1791 7.1801 7.3232 7.3273 7.4445 7.4488 11.2032 11.2064 12.6285 12.6372 12.7083 12.7358 15.3271 15.3567 k = 0.1518 0.1518 0.4919 ( 2464 PWs) bands (ev): -46.4357 -46.4357 -24.0613 -24.0578 -22.0543 -22.0487 -21.9193 -21.9193 -19.0064 -19.0062 -8.5052 -8.4913 -8.1440 -8.1436 -7.5772 -7.5718 -2.7190 -2.7180 -2.4754 -2.4741 -2.4175 -2.4151 3.2986 3.3010 4.7672 4.7813 4.9522 4.9596 5.7183 5.7441 5.9461 5.9480 6.5558 6.5625 7.1309 7.1329 7.3050 7.3096 7.4095 7.4145 11.1115 11.1142 12.6138 12.6210 12.6945 12.7210 15.2007 15.2307 k = 0.1429 0.1429 0.4919 ( 2464 PWs) bands (ev): -46.4358 -46.4358 -24.0599 -24.0565 -22.0532 -22.0479 -21.9159 -21.9159 -19.0069 -19.0067 -8.5322 -8.5191 -8.1629 -8.1626 -7.5759 -7.5709 -2.7147 -2.7140 -2.4714 -2.4705 -2.4138 -2.4123 3.2986 3.3009 4.8139 4.8283 4.9989 5.0059 5.7720 5.7986 6.0068 6.0084 6.6429 6.6501 7.0826 7.0859 7.2842 7.2889 7.3815 7.3867 11.0206 11.0228 12.6009 12.6067 12.6823 12.7079 15.0765 15.1069 k = 0.1339 0.1339 0.4919 ( 2460 PWs) bands (ev): -46.4358 -46.4358 -24.0586 -24.0554 -22.0522 -22.0471 -21.9127 -21.9127 -19.0074 -19.0072 -8.5579 -8.5457 -8.1809 -8.1807 -7.5745 -7.5699 -2.7108 -2.7104 -2.4680 -2.4675 -2.4103 -2.4094 3.2986 3.3008 4.8621 4.8769 5.0447 5.0513 5.8246 5.8520 6.0635 6.0648 6.7260 6.7342 7.0352 7.0405 7.2576 7.2613 7.3646 7.3691 10.9308 10.9326 12.5896 12.5943 12.6715 12.6964 14.9551 14.9856 k = 0.1250 0.1250 0.4919 ( 2460 PWs) bands (ev): -46.4359 -46.4359 -24.0573 -24.0543 -22.0511 -22.0463 -21.9096 -21.9096 -19.0079 -19.0076 -8.5823 -8.5708 -8.1980 -8.1979 -7.5730 -7.5688 -2.7074 -2.7072 -2.4653 -2.4651 -2.4068 -2.4065 3.2987 3.3008 4.9116 4.9268 5.0897 5.0959 5.8758 5.9042 6.1154 6.1165 6.8004 6.8106 6.9930 7.0012 7.2245 7.2269 7.3593 7.3625 10.8425 10.8439 12.5801 12.5838 12.6623 12.6866 14.8368 14.8675 k = 0.1161 0.1161 0.4919 ( 2458 PWs) bands (ev): -46.4360 -46.4360 -24.0561 -24.0532 -22.0502 -22.0456 -21.9067 -21.9067 -19.0083 -19.0081 -8.6051 -8.5946 -8.2141 -8.2140 -7.5715 -7.5676 -2.7044 -2.7043 -2.4632 -2.4632 -2.4035 -2.4034 3.2988 3.3008 4.9622 4.9777 5.1337 5.1396 5.9252 5.9547 6.1623 6.1633 6.8473 6.8581 6.9768 6.9868 7.1871 7.1883 7.3629 7.3651 10.7560 10.7571 12.5723 12.5752 12.6544 12.6783 14.7223 14.7529 k = 0.1071 0.1071 0.4919 ( 2454 PWs) bands (ev): -46.4360 -46.4360 -24.0549 -24.0523 -22.0492 -22.0450 -21.9040 -21.9040 -19.0087 -19.0085 -8.6265 -8.6168 -8.2292 -8.2291 -7.5700 -7.5665 -2.7020 -2.7017 -2.4618 -2.4617 -2.4005 -2.4001 3.2990 3.3008 5.0135 5.0294 5.1765 5.1821 5.9724 6.0033 6.2039 6.2050 6.8388 6.8428 7.0201 7.0247 7.1477 7.1479 7.3730 7.3746 10.6718 10.6726 12.5662 12.5686 12.6478 12.6715 14.6120 14.6425 k = 0.0982 0.0982 0.4919 ( 2462 PWs) bands (ev): -46.4362 -46.4362 -24.0539 -24.0514 -22.0484 -22.0444 -21.9015 -21.9015 -19.0090 -19.0088 -8.6463 -8.6374 -8.2431 -8.2431 -7.5685 -7.5653 -2.6999 -2.6995 -2.4608 -2.4606 -2.3976 -2.3969 3.2992 3.3009 5.0652 5.0814 5.2181 5.2234 6.0173 6.0497 6.2402 6.2415 6.7997 6.8005 7.0878 7.0880 7.1072 7.1088 7.3884 7.3894 10.5903 10.5908 12.5616 12.5638 12.6425 12.6661 14.5066 14.5367 k = 0.0893 0.0893 0.4919 ( 2458 PWs) bands (ev): -46.4362 -46.4362 -24.0529 -24.0506 -22.0475 -22.0439 -21.8991 -21.8991 -19.0094 -19.0092 -8.6646 -8.6565 -8.2560 -8.2560 -7.5670 -7.5642 -2.6982 -2.6976 -2.4601 -2.4599 -2.3946 -2.3939 3.2994 3.3009 5.1170 5.1334 5.2582 5.2632 6.0593 6.0937 6.2713 6.2731 6.7507 6.7547 7.0665 7.0670 7.1580 7.1586 7.4077 7.4083 10.5122 10.5125 12.5585 12.5607 12.6384 12.6619 14.4068 14.4363 k = 0.0804 0.0804 0.4919 ( 2458 PWs) bands (ev): -46.4363 -46.4363 -24.0519 -24.0499 -22.0467 -22.0435 -21.8969 -21.8969 -19.0097 -19.0095 -8.6812 -8.6739 -8.2678 -8.2678 -7.5656 -7.5631 -2.6968 -2.6961 -2.4596 -2.4594 -2.3919 -2.3910 3.2996 3.3010 5.1682 5.1849 5.2965 5.3013 6.0983 6.1348 6.2976 6.3001 6.7002 6.7070 7.0271 7.0281 7.2255 7.2257 7.4300 7.4303 10.4380 10.4382 12.5567 12.5592 12.6354 12.6589 14.3132 14.3417 k = 0.0714 0.0714 0.4919 ( 2454 PWs) bands (ev): -46.4363 -46.4363 -24.0511 -24.0492 -22.0460 -22.0431 -21.8950 -21.8950 -19.0099 -19.0098 -8.6961 -8.6896 -8.2784 -8.2783 -7.5643 -7.5620 -2.6956 -2.6949 -2.4593 -2.4592 -2.3893 -2.3884 3.2999 3.3011 5.2184 5.2350 5.3327 5.3374 6.1338 6.1729 6.3194 6.3230 6.6500 6.6595 6.9893 6.9907 7.2885 7.2891 7.4542 7.4543 10.3685 10.3685 12.5561 12.5590 12.6336 12.6569 14.2265 14.2537 k = 0.0625 0.0625 0.4919 ( 2450 PWs) bands (ev): -46.4363 -46.4363 -24.0503 -24.0487 -22.0453 -22.0427 -21.8932 -21.8932 -19.0102 -19.0100 -8.7093 -8.7036 -8.2878 -8.2877 -7.5630 -7.5611 -2.6947 -2.6940 -2.4592 -2.4590 -2.3869 -2.3861 3.3001 3.3012 5.2667 5.2831 5.3667 5.3711 6.1658 6.2078 6.3371 6.3423 6.6009 6.6132 6.9538 6.9554 7.3464 7.3471 7.4794 7.4794 10.3043 10.3043 12.5565 12.5599 12.6328 12.6556 14.1476 14.1731 k = 0.0536 0.0536 0.4919 ( 2454 PWs) bands (ev): -46.4364 -46.4364 -24.0496 -24.0482 -22.0447 -22.0425 -21.8917 -21.8917 -19.0104 -19.0102 -8.7207 -8.7158 -8.2959 -8.2959 -7.5619 -7.5603 -2.6940 -2.6933 -2.4591 -2.4590 -2.3848 -2.3840 3.3003 3.3013 5.3122 5.3280 5.3982 5.4023 6.1939 6.2393 6.3508 6.3585 6.5541 6.5691 6.9210 6.9228 7.3978 7.3985 7.5047 7.5048 10.2461 10.2463 12.5577 12.5614 12.6331 12.6549 14.0771 14.1004 k = 0.0446 0.0446 0.4919 ( 2450 PWs) bands (ev): -46.4364 -46.4364 -24.0490 -24.0478 -22.0442 -22.0423 -21.8904 -21.8904 -19.0105 -19.0104 -8.7304 -8.7263 -8.3029 -8.3029 -7.5609 -7.5595 -2.6934 -2.6928 -2.4591 -2.4590 -2.3829 -2.3822 3.3006 3.3013 5.3538 5.3684 5.4270 5.4306 6.2183 6.2674 6.3604 6.3719 6.5111 6.5281 6.8917 6.8935 7.4416 7.4423 7.5294 7.5296 10.1951 10.1952 12.5593 12.5634 12.6344 12.6546 14.0160 14.0367 k = 0.0357 0.0357 0.4919 ( 2438 PWs) bands (ev): -46.4362 -46.4362 -24.0485 -24.0475 -22.0437 -22.0422 -21.8893 -21.8893 -19.0107 -19.0106 -8.7382 -8.7350 -8.3086 -8.3086 -7.5600 -7.5590 -2.6930 -2.6925 -2.4591 -2.4590 -2.3813 -2.3808 3.3008 3.3014 5.3900 5.4026 5.4530 5.4557 6.2393 6.2922 6.3648 6.3826 6.4741 6.4914 6.8665 6.8682 7.4771 7.4776 7.5528 7.5531 10.1518 10.1520 12.5613 12.5652 12.6366 12.6543 13.9652 13.9826 k = 0.0268 0.0268 0.4919 ( 2438 PWs) bands (ev): -46.4363 -46.4363 -24.0480 -24.0473 -22.0432 -22.0421 -21.8885 -21.8885 -19.0108 -19.0107 -8.7443 -8.7418 -8.3131 -8.3130 -7.5593 -7.5585 -2.6927 -2.6923 -2.4591 -2.4591 -2.3800 -2.3796 3.3009 3.3014 5.4195 5.4292 5.4757 5.4772 6.2575 6.3137 6.3616 6.3902 6.4468 6.4602 6.8462 6.8476 7.5038 7.5041 7.5737 7.5739 10.1172 10.1173 12.5633 12.5667 12.6394 12.6538 13.9252 13.9388 k = 0.0179 0.0179 0.4919 ( 2430 PWs) bands (ev): -46.4362 -46.4362 -24.0477 -24.0472 -22.0429 -22.0421 -21.8879 -21.8879 -19.0108 -19.0108 -8.7485 -8.7468 -8.3162 -8.3162 -7.5588 -7.5582 -2.6924 -2.6922 -2.4591 -2.4591 -2.3791 -2.3788 3.3011 3.3014 5.4412 5.4475 5.4939 5.4943 6.2740 6.3305 6.3514 6.3927 6.4316 6.4367 6.8312 6.8322 7.5221 7.5223 7.5903 7.5905 10.0919 10.0920 12.5651 12.5677 12.6427 12.6528 13.8969 13.9063 k = 0.0089 0.0089 0.4919 ( 2428 PWs) bands (ev): -46.4362 -46.4362 -24.0474 -24.0472 -22.0426 -22.0422 -21.8875 -21.8875 -19.0109 -19.0108 -8.7508 -8.7500 -8.3182 -8.3181 -7.5584 -7.5581 -2.6923 -2.6921 -2.4591 -2.4591 -2.3785 -2.3784 3.3012 3.3014 5.4546 5.4577 5.5057 5.5057 6.2903 6.3252 6.3560 6.3860 6.4249 6.4252 6.8221 6.8226 7.5328 7.5329 7.6011 7.6012 10.0765 10.0765 12.5666 12.5680 12.6459 12.6512 13.8807 13.8855 k = 0.0000 0.0000 0.4919 ( 2432 PWs) bands (ev): -46.4362 -46.4362 -24.0472 -24.0472 -22.0424 -22.0424 -21.8874 -21.8874 -19.0109 -19.0109 -8.7513 -8.7513 -8.3188 -8.3188 -7.5582 -7.5582 -2.6922 -2.6922 -2.4592 -2.4592 -2.3783 -2.3783 3.3013 3.3013 5.4601 5.4601 5.5098 5.5098 6.3075 6.3075 6.3716 6.3716 6.4230 6.4230 6.8192 6.8192 7.5363 7.5363 7.6048 7.6048 10.0713 10.0713 12.5676 12.5676 12.6488 12.6488 13.8769 13.8769 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4362 -46.4362 -24.0497 -24.0497 -22.0220 -22.0220 -21.9264 -21.9264 -19.0083 -19.0083 -8.7667 -8.7667 -8.3245 -8.3245 -7.4201 -7.4201 -2.6911 -2.6911 -2.4540 -2.4540 -2.3893 -2.3893 3.3351 3.3351 5.6865 5.6865 5.8410 5.8410 6.1436 6.1436 6.2409 6.2409 6.2981 6.2981 6.8174 6.8174 6.9282 6.9282 7.2765 7.2765 10.6854 10.6854 12.4987 12.4987 12.6284 12.6284 13.8913 13.8913 k = 0.0000 0.5000 0.0126 ( 2460 PWs) bands (ev): -46.4361 -46.4361 -24.0497 -24.0497 -22.0221 -22.0221 -21.9264 -21.9264 -19.0083 -19.0083 -8.7658 -8.7658 -8.3240 -8.3240 -7.4202 -7.4202 -2.6911 -2.6911 -2.4539 -2.4539 -2.3895 -2.3895 3.3351 3.3351 5.6761 5.6761 5.8404 5.8404 6.1412 6.1412 6.2382 6.2382 6.3064 6.3064 6.8200 6.8200 6.9283 6.9283 7.2731 7.2731 10.6888 10.6888 12.4989 12.4989 12.6292 12.6292 13.8969 13.8969 k = 0.0000 0.5000 0.0252 ( 2460 PWs) bands (ev): -46.4361 -46.4361 -24.0498 -24.0498 -22.0223 -22.0223 -21.9266 -21.9266 -19.0083 -19.0083 -8.7631 -8.7631 -8.3224 -8.3224 -7.4205 -7.4205 -2.6912 -2.6912 -2.4539 -2.4539 -2.3900 -2.3900 3.3350 3.3350 5.6465 5.6465 5.8390 5.8390 6.1338 6.1338 6.2301 6.2301 6.3296 6.3296 6.8280 6.8280 6.9285 6.9285 7.2632 7.2632 10.6989 10.6989 12.4993 12.4993 12.6315 12.6315 13.9134 13.9134 k = 0.0000 0.5000 0.0378 ( 2460 PWs) bands (ev): -46.4361 -46.4361 -24.0501 -24.0501 -22.0227 -22.0227 -21.9268 -21.9268 -19.0082 -19.0082 -8.7585 -8.7585 -8.3197 -8.3197 -7.4209 -7.4209 -2.6914 -2.6914 -2.4538 -2.4538 -2.3909 -2.3909 3.3348 3.3348 5.6019 5.6019 5.8367 5.8367 6.1207 6.1207 6.2168 6.2168 6.3633 6.3633 6.8418 6.8418 6.9289 6.9289 7.2473 7.2473 10.7156 10.7156 12.4999 12.4999 12.6353 12.6353 13.9403 13.9403 k = 0.0000 0.5000 0.0504 ( 2452 PWs) bands (ev): -46.4360 -46.4360 -24.0504 -24.0504 -22.0232 -22.0232 -21.9272 -21.9272 -19.0081 -19.0081 -8.7523 -8.7523 -8.3158 -8.3158 -7.4215 -7.4215 -2.6915 -2.6915 -2.4536 -2.4536 -2.3921 -2.3921 3.3345 3.3345 5.5469 5.5469 5.8337 5.8337 6.1011 6.1011 6.1987 6.1987 6.4026 6.4026 6.8618 6.8618 6.9293 6.9293 7.2265 7.2265 10.7388 10.7388 12.5008 12.5008 12.6408 12.6408 13.9770 13.9770 k = 0.0000 0.5000 0.0631 ( 2448 PWs) bands (ev): -46.4359 -46.4359 -24.0507 -24.0507 -22.0239 -22.0239 -21.9276 -21.9276 -19.0080 -19.0080 -8.7445 -8.7445 -8.3108 -8.3108 -7.4223 -7.4223 -2.6918 -2.6918 -2.4535 -2.4535 -2.3936 -2.3936 3.3342 3.3342 5.4848 5.4848 5.8300 5.8300 6.0740 6.0740 6.1765 6.1765 6.4433 6.4433 6.8886 6.8886 6.9300 6.9300 7.2018 7.2018 10.7683 10.7683 12.5019 12.5019 12.6478 12.6478 14.0223 14.0223 k = 0.0000 0.5000 0.0757 ( 2438 PWs) bands (ev): -46.4357 -46.4357 -24.0512 -24.0512 -22.0247 -22.0247 -21.9281 -21.9281 -19.0078 -19.0078 -8.7352 -8.7352 -8.3045 -8.3045 -7.4232 -7.4232 -2.6921 -2.6921 -2.4532 -2.4532 -2.3954 -2.3954 3.3338 3.3338 5.4183 5.4183 5.8257 5.8257 6.0383 6.0383 6.1512 6.1512 6.4826 6.4826 6.9216 6.9216 6.9316 6.9316 7.1746 7.1746 10.8038 10.8038 12.5032 12.5032 12.6566 12.6566 14.0751 14.0751 k = 0.0000 0.5000 0.0883 ( 2438 PWs) bands (ev): -46.4357 -46.4357 -24.0517 -24.0517 -22.0257 -22.0257 -21.9287 -21.9287 -19.0077 -19.0077 -8.7246 -8.7246 -8.2968 -8.2968 -7.4243 -7.4243 -2.6925 -2.6925 -2.4530 -2.4530 -2.3975 -2.3975 3.3333 3.3333 5.3491 5.3491 5.8206 5.8206 5.9930 5.9930 6.1236 6.1236 6.5187 6.5187 6.9307 6.9307 6.9641 6.9641 7.1464 7.1464 10.8450 10.8450 12.5046 12.5046 12.6671 12.6671 14.1339 14.1339 k = 0.0000 0.5000 0.1009 ( 2438 PWs) bands (ev): -46.4356 -46.4356 -24.0523 -24.0523 -22.0268 -22.0268 -21.9293 -21.9293 -19.0075 -19.0075 -8.7128 -8.7128 -8.2878 -8.2878 -7.4256 -7.4256 -2.6930 -2.6930 -2.4528 -2.4528 -2.3998 -2.3998 3.3327 3.3327 5.2783 5.2783 5.8149 5.8149 5.9374 5.9374 6.0943 6.0943 6.5509 6.5509 6.9316 6.9316 7.0112 7.0112 7.1183 7.1183 10.8915 10.8915 12.5062 12.5062 12.6794 12.6794 14.1972 14.1972 k = 0.0000 0.5000 0.1135 ( 2450 PWs) bands (ev): -46.4357 -46.4357 -24.0531 -24.0531 -22.0281 -22.0281 -21.9300 -21.9300 -19.0073 -19.0073 -8.7002 -8.7002 -8.2772 -8.2772 -7.4270 -7.4270 -2.6935 -2.6935 -2.4525 -2.4525 -2.4025 -2.4025 3.3320 3.3320 5.2068 5.2068 5.8085 5.8085 5.8718 5.8718 6.0638 6.0638 6.5793 6.5793 6.9325 6.9325 7.0636 7.0636 7.0915 7.0915 10.9429 10.9429 12.5078 12.5078 12.6935 12.6935 14.2635 14.2635 k = 0.0000 0.5000 0.1261 ( 2452 PWs) bands (ev): -46.4357 -46.4357 -24.0538 -24.0538 -22.0296 -22.0296 -21.9308 -21.9308 -19.0071 -19.0071 -8.6868 -8.6868 -8.2650 -8.2650 -7.4285 -7.4285 -2.6941 -2.6941 -2.4522 -2.4522 -2.4052 -2.4052 3.3313 3.3313 5.1352 5.1352 5.7959 5.7959 5.8021 5.8021 6.0322 6.0322 6.6045 6.6045 6.9333 6.9333 7.0662 7.0662 7.1206 7.1206 10.9990 10.9990 12.5095 12.5095 12.7097 12.7097 14.3313 14.3313 k = 0.0000 0.5000 0.1387 ( 2452 PWs) bands (ev): -46.4357 -46.4357 -24.0546 -24.0546 -22.0311 -22.0311 -21.9315 -21.9315 -19.0068 -19.0068 -8.6729 -8.6729 -8.2510 -8.2510 -7.4301 -7.4301 -2.6948 -2.6948 -2.4520 -2.4520 -2.4082 -2.4082 3.3304 3.3304 5.0640 5.0640 5.7121 5.7121 5.7942 5.7942 5.9994 5.9994 6.6271 6.6271 6.9341 6.9341 7.0437 7.0437 7.1801 7.1801 11.0592 11.0592 12.5113 12.5113 12.7278 12.7278 14.3991 14.3991 k = 0.0000 0.5000 0.1513 ( 2460 PWs) bands (ev): -46.4357 -46.4357 -24.0555 -24.0555 -22.0328 -22.0328 -21.9323 -21.9323 -19.0066 -19.0066 -8.6588 -8.6588 -8.2352 -8.2352 -7.4318 -7.4318 -2.6956 -2.6956 -2.4517 -2.4517 -2.4112 -2.4112 3.3295 3.3295 4.9935 4.9935 5.6200 5.6200 5.7862 5.7862 5.9657 5.9657 6.6477 6.6477 6.9348 6.9348 7.0239 7.0239 7.2412 7.2412 11.1230 11.1230 12.5131 12.5131 12.7480 12.7480 14.4657 14.4657 k = 0.0000 0.5000 0.1640 ( 2460 PWs) bands (ev): -46.4357 -46.4357 -24.0564 -24.0564 -22.0347 -22.0347 -21.9330 -21.9330 -19.0063 -19.0063 -8.6447 -8.6447 -8.2176 -8.2176 -7.4336 -7.4336 -2.6964 -2.6964 -2.4516 -2.4516 -2.4142 -2.4142 3.3285 3.3285 4.9241 4.9241 5.5211 5.5211 5.7778 5.7778 5.9313 5.9313 6.6669 6.6669 6.9356 6.9356 7.0068 7.0068 7.3031 7.3031 11.1902 11.1902 12.5149 12.5149 12.7701 12.7701 14.5300 14.5300 k = 0.0000 0.5000 0.1766 ( 2464 PWs) bands (ev): -46.4356 -46.4356 -24.0574 -24.0574 -22.0367 -22.0367 -21.9338 -21.9338 -19.0061 -19.0061 -8.6309 -8.6309 -8.1980 -8.1980 -7.4355 -7.4355 -2.6973 -2.6973 -2.4515 -2.4515 -2.4173 -2.4173 3.3273 3.3273 4.8560 4.8560 5.4167 5.4167 5.7690 5.7690 5.8962 5.8962 6.6850 6.6850 6.9363 6.9363 6.9923 6.9923 7.3649 7.3649 11.2601 11.2601 12.5168 12.5168 12.7943 12.7943 14.5911 14.5911 k = 0.0000 0.5000 0.1892 ( 2476 PWs) bands (ev): -46.4358 -46.4358 -24.0585 -24.0585 -22.0388 -22.0388 -21.9346 -21.9346 -19.0058 -19.0058 -8.6174 -8.6174 -8.1764 -8.1764 -7.4375 -7.4375 -2.6983 -2.6983 -2.4516 -2.4516 -2.4202 -2.4202 3.3260 3.3260 4.7894 4.7894 5.3078 5.3078 5.7599 5.7599 5.8609 5.8609 6.7023 6.7023 6.9368 6.9368 6.9803 6.9803 7.4261 7.4261 11.3324 11.3324 12.5186 12.5186 12.8205 12.8205 14.6483 14.6483 k = 0.0000 0.5000 0.2018 ( 2468 PWs) bands (ev): -46.4356 -46.4356 -24.0595 -24.0595 -22.0409 -22.0409 -21.9353 -21.9353 -19.0055 -19.0055 -8.6044 -8.6044 -8.1530 -8.1530 -7.4395 -7.4395 -2.6994 -2.6994 -2.4519 -2.4519 -2.4229 -2.4229 3.3246 3.3246 4.7245 4.7245 5.1956 5.1956 5.7504 5.7504 5.8254 5.8254 6.7190 6.7190 6.9373 6.9373 6.9705 6.9705 7.4861 7.4861 11.4067 11.4067 12.5205 12.5205 12.8486 12.8486 14.7014 14.7014 k = 0.0000 0.5000 0.2144 ( 2476 PWs) bands (ev): -46.4356 -46.4356 -24.0606 -24.0606 -22.0432 -22.0432 -21.9360 -21.9360 -19.0052 -19.0052 -8.5921 -8.5921 -8.1278 -8.1278 -7.4415 -7.4415 -2.7005 -2.7005 -2.4526 -2.4526 -2.4253 -2.4253 3.3231 3.3231 4.6615 4.6615 5.0813 5.0813 5.7406 5.7406 5.7900 5.7900 6.7352 6.7352 6.9375 6.9375 6.9628 6.9628 7.5445 7.5445 11.4823 11.4823 12.5224 12.5224 12.8786 12.8786 14.7501 14.7501 k = 0.0000 0.5000 0.2270 ( 2476 PWs) bands (ev): -46.4355 -46.4355 -24.0617 -24.0617 -22.0455 -22.0455 -21.9366 -21.9366 -19.0049 -19.0049 -8.5805 -8.5805 -8.1010 -8.1010 -7.4436 -7.4436 -2.7017 -2.7017 -2.4536 -2.4536 -2.4272 -2.4272 3.3213 3.3213 4.6004 4.6004 4.9658 4.9658 5.7300 5.7300 5.7555 5.7555 6.7510 6.7510 6.9374 6.9374 6.9570 6.9570 7.6010 7.6010 11.5589 11.5589 12.5242 12.5242 12.9104 12.9104 14.7944 14.7944 k = 0.0000 0.5000 0.2396 ( 2480 PWs) bands (ev): -46.4355 -46.4355 -24.0628 -24.0628 -22.0479 -22.0479 -21.9372 -21.9372 -19.0045 -19.0045 -8.5696 -8.5696 -8.0727 -8.0727 -7.4456 -7.4456 -2.7029 -2.7029 -2.4552 -2.4552 -2.4287 -2.4287 3.3194 3.3194 4.5415 4.5415 4.8501 4.8501 5.7140 5.7140 5.7269 5.7269 6.7665 6.7665 6.9368 6.9368 6.9531 6.9531 7.6553 7.6553 11.6361 11.6361 12.5261 12.5261 12.9437 12.9437 14.8345 14.8345 k = 0.0000 0.5000 0.2522 ( 2488 PWs) bands (ev): -46.4356 -46.4356 -24.0639 -24.0639 -22.0504 -22.0504 -21.9378 -21.9378 -19.0042 -19.0042 -8.5596 -8.5596 -8.0432 -8.0432 -7.4476 -7.4476 -2.7043 -2.7043 -2.4571 -2.4571 -2.4296 -2.4296 3.3172 3.3172 4.4848 4.4848 4.7352 4.7352 5.6833 5.6833 5.7135 5.7135 6.7815 6.7815 6.9359 6.9359 6.9508 6.9508 7.7073 7.7073 11.7132 11.7132 12.5279 12.5279 12.9784 12.9784 14.8705 14.8705 k = 0.0000 0.5000 0.2649 ( 2480 PWs) bands (ev): -46.4354 -46.4354 -24.0650 -24.0650 -22.0529 -22.0529 -21.9383 -21.9383 -19.0039 -19.0039 -8.5503 -8.5503 -8.0128 -8.0128 -7.4496 -7.4496 -2.7056 -2.7056 -2.4594 -2.4594 -2.4301 -2.4301 3.3147 3.3147 4.4304 4.4304 4.6219 4.6219 5.6505 5.6505 5.7032 5.7032 6.7962 6.7962 6.9347 6.9347 6.9497 6.9497 7.7568 7.7568 11.7901 11.7901 12.5298 12.5298 13.0144 13.0144 14.9028 14.9028 k = 0.0000 0.5000 0.2775 ( 2472 PWs) bands (ev): -46.4352 -46.4352 -24.0661 -24.0661 -22.0553 -22.0553 -21.9388 -21.9388 -19.0036 -19.0036 -8.5417 -8.5417 -7.9817 -7.9817 -7.4515 -7.4515 -2.7069 -2.7069 -2.4619 -2.4619 -2.4301 -2.4301 3.3118 3.3118 4.3783 4.3783 4.5112 4.5112 5.6182 5.6182 5.6934 5.6934 6.8104 6.8104 6.9336 6.9336 6.9493 6.9493 7.8036 7.8036 11.8660 11.8660 12.5316 12.5316 13.0514 13.0514 14.9317 14.9317 k = 0.0000 0.5000 0.2901 ( 2466 PWs) bands (ev): -46.4350 -46.4350 -24.0672 -24.0672 -22.0578 -22.0578 -21.9392 -21.9392 -19.0033 -19.0033 -8.5338 -8.5338 -7.9503 -7.9503 -7.4533 -7.4533 -2.7083 -2.7083 -2.4646 -2.4646 -2.4299 -2.4299 3.3086 3.3086 4.3284 4.3284 4.4038 4.4038 5.5870 5.5870 5.6838 5.6838 6.8242 6.8242 6.9328 6.9328 6.9494 6.9494 7.8477 7.8477 11.9407 11.9407 12.5334 12.5334 13.0891 13.0891 14.9574 14.9574 k = 0.0000 0.5000 0.3027 ( 2462 PWs) bands (ev): -46.4349 -46.4349 -24.0683 -24.0683 -22.0602 -22.0602 -21.9396 -21.9396 -19.0030 -19.0030 -8.5266 -8.5266 -7.9188 -7.9188 -7.4550 -7.4550 -2.7097 -2.7097 -2.4674 -2.4674 -2.4295 -2.4295 3.3048 3.3048 4.2786 4.2786 4.3031 4.3031 5.5570 5.5570 5.6745 5.6745 6.8374 6.8374 6.9324 6.9324 6.9497 6.9497 7.8890 7.8890 12.0136 12.0136 12.5352 12.5352 13.1272 13.1272 14.9803 14.9803 k = 0.0000 0.5000 0.3153 ( 2470 PWs) bands (ev): -46.4349 -46.4349 -24.0693 -24.0693 -22.0626 -22.0626 -21.9400 -21.9400 -19.0027 -19.0027 -8.5201 -8.5201 -7.8877 -7.8877 -7.4565 -7.4565 -2.7111 -2.7111 -2.4702 -2.4702 -2.4289 -2.4289 3.3004 3.3004 4.1974 4.1974 4.2409 4.2409 5.5283 5.5283 5.6656 5.6656 6.8500 6.8500 6.9323 6.9323 6.9502 6.9502 7.9274 7.9274 12.0842 12.0842 12.5370 12.5370 13.1653 13.1653 15.0005 15.0005 k = 0.0000 0.5000 0.3279 ( 2468 PWs) bands (ev): -46.4348 -46.4348 -24.0703 -24.0703 -22.0649 -22.0649 -21.9403 -21.9403 -19.0024 -19.0024 -8.5141 -8.5141 -7.8571 -7.8571 -7.4579 -7.4579 -2.7125 -2.7125 -2.4729 -2.4729 -2.4283 -2.4283 3.2953 3.2953 4.1046 4.1046 4.1985 4.1985 5.5012 5.5012 5.6570 5.6570 6.8619 6.8619 6.9326 6.9326 6.9507 6.9507 7.9631 7.9631 12.1521 12.1521 12.5389 12.5389 13.2032 13.2032 15.0185 15.0185 k = 0.0000 0.5000 0.3405 ( 2468 PWs) bands (ev): -46.4348 -46.4348 -24.0713 -24.0713 -22.0671 -22.0671 -21.9406 -21.9406 -19.0021 -19.0021 -8.5087 -8.5087 -7.8275 -7.8275 -7.4591 -7.4591 -2.7139 -2.7139 -2.4755 -2.4755 -2.4276 -2.4276 3.2893 3.2893 4.0170 4.0170 4.1596 4.1596 5.4756 5.4756 5.6488 5.6488 6.8730 6.8730 6.9332 6.9332 6.9513 6.9513 7.9958 7.9958 12.2168 12.2168 12.5408 12.5408 13.2404 13.2404 15.0344 15.0344 k = 0.0000 0.5000 0.3531 ( 2462 PWs) bands (ev): -46.4346 -46.4346 -24.0722 -24.0722 -22.0691 -22.0691 -21.9409 -21.9409 -19.0019 -19.0019 -8.5038 -8.5038 -7.7991 -7.7991 -7.4601 -7.4601 -2.7152 -2.7152 -2.4780 -2.4780 -2.4268 -2.4268 3.2822 3.2822 3.9358 3.9358 4.1239 4.1239 5.4518 5.4518 5.6411 5.6411 6.8833 6.8833 6.9342 6.9342 6.9519 6.9519 8.0258 8.0258 12.2778 12.2778 12.5430 12.5430 13.2765 13.2765 15.0484 15.0484 k = 0.0000 0.5000 0.3658 ( 2462 PWs) bands (ev): -46.4346 -46.4346 -24.0730 -24.0730 -22.0711 -22.0711 -21.9411 -21.9411 -19.0016 -19.0016 -8.4994 -8.4994 -7.7722 -7.7722 -7.4609 -7.4609 -2.7165 -2.7165 -2.4803 -2.4803 -2.4261 -2.4261 3.2739 3.2739 3.8619 3.8619 4.0911 4.0911 5.4297 5.4297 5.6338 5.6338 6.8925 6.8925 6.9355 6.9355 6.9525 6.9525 8.0529 8.0529 12.3347 12.3347 12.5454 12.5454 13.3113 13.3113 15.0606 15.0606 k = 0.0000 0.5000 0.3784 ( 2462 PWs) bands (ev): -46.4345 -46.4345 -24.0738 -24.0738 -22.0730 -22.0730 -21.9413 -21.9413 -19.0014 -19.0014 -8.4954 -8.4954 -7.7472 -7.7472 -7.4615 -7.4615 -2.7177 -2.7177 -2.4824 -2.4824 -2.4253 -2.4253 3.2642 3.2642 3.7957 3.7957 4.0614 4.0614 5.4095 5.4095 5.6272 5.6272 6.9005 6.9005 6.9373 6.9373 6.9531 6.9531 8.0773 8.0773 12.3866 12.3866 12.5484 12.5484 13.3442 13.3442 15.0713 15.0713 k = 0.0000 0.5000 0.3910 ( 2458 PWs) bands (ev): -46.4344 -46.4344 -24.0745 -24.0745 -22.0746 -22.0746 -21.9414 -21.9414 -19.0012 -19.0012 -8.4920 -8.4920 -7.7242 -7.7242 -7.4618 -7.4618 -2.7188 -2.7188 -2.4843 -2.4843 -2.4246 -2.4246 3.2532 3.2532 3.7379 3.7379 4.0346 4.0346 5.3913 5.3913 5.6211 5.6211 6.9073 6.9073 6.9396 6.9396 6.9537 6.9537 8.0989 8.0989 12.4326 12.4326 12.5526 12.5526 13.3748 13.3748 15.0806 15.0806 k = 0.0000 0.5000 0.4036 ( 2454 PWs) bands (ev): -46.4343 -46.4343 -24.0752 -24.0752 -22.0761 -22.0761 -21.9416 -21.9416 -19.0010 -19.0010 -8.4889 -8.4889 -7.7036 -7.7036 -7.4618 -7.4618 -2.7198 -2.7198 -2.4860 -2.4860 -2.4240 -2.4240 3.2410 3.2410 3.6884 3.6884 4.0110 4.0110 5.3751 5.3751 5.6156 5.6156 6.9127 6.9127 6.9423 6.9423 6.9543 6.9543 8.1179 8.1179 12.4711 12.4711 12.5593 12.5593 13.4029 13.4029 15.0885 15.0885 k = 0.0000 0.5000 0.4162 ( 2458 PWs) bands (ev): -46.4343 -46.4343 -24.0757 -24.0757 -22.0775 -22.0775 -21.9417 -21.9417 -19.0009 -19.0009 -8.4863 -8.4863 -7.6854 -7.6854 -7.4616 -7.4616 -2.7207 -2.7207 -2.4875 -2.4875 -2.4234 -2.4234 3.2279 3.2279 3.6474 3.6474 3.9904 3.9904 5.3609 5.3609 5.6108 5.6108 6.9167 6.9167 6.9454 6.9454 6.9549 6.9549 8.1342 8.1342 12.4996 12.4996 12.5707 12.5707 13.4280 13.4280 15.0952 15.0952 k = 0.0000 0.5000 0.4288 ( 2458 PWs) bands (ev): -46.4343 -46.4343 -24.0762 -24.0762 -22.0786 -22.0786 -21.9418 -21.9418 -19.0007 -19.0007 -8.4841 -8.4841 -7.6699 -7.6699 -7.4613 -7.4613 -2.7215 -2.7215 -2.4888 -2.4888 -2.4229 -2.4229 3.2145 3.2145 3.6144 3.6144 3.9729 3.9729 5.3489 5.3489 5.6067 5.6067 6.9197 6.9197 6.9484 6.9484 6.9555 6.9555 8.1480 8.1480 12.5166 12.5166 12.5879 12.5879 13.4499 13.4499 15.1008 15.1008 k = 0.0000 0.5000 0.4414 ( 2458 PWs) bands (ev): -46.4343 -46.4343 -24.0766 -24.0766 -22.0796 -22.0796 -21.9419 -21.9419 -19.0006 -19.0006 -8.4824 -8.4824 -7.6572 -7.6572 -7.4608 -7.4608 -2.7221 -2.7221 -2.4899 -2.4899 -2.4225 -2.4225 3.2018 3.2018 3.5889 3.5889 3.9586 3.9586 5.3390 5.3390 5.6033 5.6033 6.9218 6.9218 6.9511 6.9511 6.9563 6.9563 8.1591 8.1591 12.5254 12.5254 12.6075 12.6075 13.4683 13.4683 15.1052 15.1052 k = 0.0000 0.5000 0.4540 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0769 -24.0769 -22.0803 -22.0803 -21.9419 -21.9419 -19.0005 -19.0005 -8.4810 -8.4810 -7.6473 -7.6473 -7.4603 -7.4603 -2.7226 -2.7226 -2.4907 -2.4907 -2.4222 -2.4222 3.1907 3.1907 3.5701 3.5701 3.9475 3.9475 5.3312 5.3312 5.6006 5.6006 6.9232 6.9232 6.9530 6.9530 6.9572 6.9572 8.1678 8.1678 12.5299 12.5299 12.6252 12.6252 13.4828 13.4828 15.1086 15.1086 k = 0.0000 0.5000 0.4667 ( 2460 PWs) bands (ev): -46.4343 -46.4343 -24.0772 -24.0772 -22.0809 -22.0809 -21.9420 -21.9420 -19.0005 -19.0005 -8.4800 -8.4800 -7.6402 -7.6402 -7.4598 -7.4598 -2.7230 -2.7230 -2.4913 -2.4913 -2.4219 -2.4219 3.1820 3.1820 3.5573 3.5573 3.9395 3.9395 5.3257 5.3257 5.5987 5.5987 6.9241 6.9241 6.9541 6.9541 6.9583 6.9583 8.1740 8.1740 12.5323 12.5323 12.6388 12.6388 13.4933 13.4933 15.1110 15.1110 k = 0.0000 0.5000 0.4793 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0773 -24.0773 -22.0812 -22.0812 -21.9420 -21.9420 -19.0004 -19.0004 -8.4794 -8.4794 -7.6360 -7.6360 -7.4595 -7.4595 -2.7232 -2.7232 -2.4916 -2.4916 -2.4218 -2.4218 3.1765 3.1765 3.5498 3.5498 3.9347 3.9347 5.3223 5.3223 5.5976 5.5976 6.9246 6.9246 6.9546 6.9546 6.9592 6.9592 8.1776 8.1776 12.5336 12.5336 12.6473 12.6473 13.4996 13.4996 15.1125 15.1125 k = 0.0000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4342 -46.4342 -24.0774 -24.0774 -22.0813 -22.0813 -21.9420 -21.9420 -19.0004 -19.0004 -8.4792 -8.4792 -7.6346 -7.6346 -7.4594 -7.4594 -2.7233 -2.7233 -2.4917 -2.4917 -2.4217 -2.4217 3.1746 3.1746 3.5474 3.5474 3.9331 3.9331 5.3212 5.3212 5.5972 5.5972 6.9248 6.9248 6.9547 6.9547 6.9595 6.9595 8.1789 8.1789 12.5339 12.5339 12.6501 12.6501 13.5018 13.5018 15.1129 15.1129 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4338 -46.4338 -24.0797 -24.0797 -22.0396 -22.0396 -22.0022 -22.0022 -18.9980 -18.9980 -8.5003 -8.5003 -7.5242 -7.5242 -7.4182 -7.4182 -2.7401 -2.7401 -2.5134 -2.5134 -2.4281 -2.4281 3.1238 3.1238 3.5556 3.5556 3.9200 3.9200 5.5069 5.5069 5.5271 5.5271 6.7839 6.7839 6.8157 6.8157 6.8294 6.8294 8.3612 8.3612 12.5941 12.5941 12.6661 12.6661 13.5688 13.5688 14.6236 14.6236 k = 0.5000 0.5000 0.0126 ( 2464 PWs) bands (ev): -46.4338 -46.4338 -24.0798 -24.0798 -22.0396 -22.0396 -22.0023 -22.0023 -18.9980 -18.9980 -8.4989 -8.4989 -7.5240 -7.5240 -7.4181 -7.4181 -2.7404 -2.7404 -2.5138 -2.5138 -2.4286 -2.4286 3.1238 3.1238 3.5556 3.5556 3.9209 3.9209 5.5035 5.5035 5.5237 5.5237 6.7774 6.7774 6.8193 6.8193 6.8336 6.8336 8.3613 8.3613 12.5952 12.5952 12.6672 12.6672 13.5689 13.5689 14.6314 14.6314 k = 0.5000 0.5000 0.0252 ( 2464 PWs) bands (ev): -46.4338 -46.4338 -24.0799 -24.0799 -22.0396 -22.0396 -22.0027 -22.0027 -18.9979 -18.9979 -8.4948 -8.4948 -7.5237 -7.5237 -7.4177 -7.4177 -2.7416 -2.7416 -2.5148 -2.5148 -2.4301 -2.4301 3.1239 3.1239 3.5555 3.5555 3.9237 3.9237 5.4935 5.4935 5.5135 5.5135 6.7573 6.7573 6.8309 6.8309 6.8459 6.8459 8.3614 8.3614 12.5985 12.5985 12.6705 12.6705 13.5692 13.5692 14.6547 14.6547 k = 0.5000 0.5000 0.0378 ( 2460 PWs) bands (ev): -46.4337 -46.4337 -24.0801 -24.0801 -22.0396 -22.0396 -22.0034 -22.0034 -18.9978 -18.9978 -8.4879 -8.4879 -7.5231 -7.5231 -7.4172 -7.4172 -2.7434 -2.7434 -2.5166 -2.5166 -2.4326 -2.4326 3.1240 3.1240 3.5555 3.5555 3.9284 3.9284 5.4773 5.4773 5.4970 5.4970 6.7234 6.7234 6.8504 6.8504 6.8658 6.8658 8.3617 8.3617 12.6041 12.6041 12.6761 12.6761 13.5699 13.5699 14.6932 14.6932 k = 0.5000 0.5000 0.0504 ( 2468 PWs) bands (ev): -46.4338 -46.4338 -24.0804 -24.0804 -22.0395 -22.0395 -22.0044 -22.0044 -18.9977 -18.9977 -8.4784 -8.4784 -7.5223 -7.5223 -7.4164 -7.4164 -2.7460 -2.7460 -2.5191 -2.5191 -2.4361 -2.4361 3.1241 3.1241 3.5554 3.5554 3.9349 3.9349 5.4555 5.4555 5.4748 5.4748 6.6764 6.6764 6.8771 6.8771 6.8929 6.8929 8.3621 8.3621 12.6118 12.6118 12.6838 12.6838 13.5707 13.5707 14.7461 14.7461 k = 0.5000 0.5000 0.0631 ( 2468 PWs) bands (ev): -46.4338 -46.4338 -24.0808 -24.0808 -22.0394 -22.0394 -22.0056 -22.0056 -18.9975 -18.9975 -8.4661 -8.4661 -7.5213 -7.5213 -7.4155 -7.4155 -2.7493 -2.7493 -2.5223 -2.5223 -2.4405 -2.4405 3.1243 3.1243 3.5552 3.5552 3.9431 3.9431 5.4289 5.4289 5.4477 5.4477 6.6172 6.6172 6.9100 6.9100 6.9261 6.9261 8.3626 8.3626 12.6218 12.6218 12.6937 12.6937 13.5717 13.5717 14.8127 14.8127 k = 0.5000 0.5000 0.0757 ( 2468 PWs) bands (ev): -46.4338 -46.4338 -24.0812 -24.0812 -22.0393 -22.0393 -22.0071 -22.0071 -18.9973 -18.9973 -8.4513 -8.4513 -7.5200 -7.5200 -7.4143 -7.4143 -2.7532 -2.7532 -2.5261 -2.5261 -2.4458 -2.4458 3.1245 3.1245 3.5550 3.5550 3.9531 3.9531 5.3982 5.3982 5.4165 5.4165 6.5468 6.5468 6.9484 6.9484 6.9647 6.9647 8.3632 8.3632 12.6340 12.6340 12.7059 12.7059 13.5730 13.5730 14.8919 14.8919 k = 0.5000 0.5000 0.0883 ( 2476 PWs) bands (ev): -46.4339 -46.4339 -24.0817 -24.0817 -22.0393 -22.0393 -22.0088 -22.0088 -18.9970 -18.9970 -8.4340 -8.4340 -7.5186 -7.5186 -7.4130 -7.4130 -2.7579 -2.7579 -2.5306 -2.5306 -2.4520 -2.4520 3.1247 3.1247 3.5548 3.5548 3.9647 3.9647 5.3643 5.3643 5.3820 5.3820 6.4660 6.4660 6.9912 6.9912 7.0077 7.0077 8.3638 8.3638 12.6483 12.6483 12.7202 12.7202 13.5744 13.5744 14.9827 14.9827 k = 0.5000 0.5000 0.1009 ( 2476 PWs) bands (ev): -46.4338 -46.4338 -24.0823 -24.0823 -22.0391 -22.0391 -22.0107 -22.0107 -18.9968 -18.9968 -8.4142 -8.4142 -7.5169 -7.5169 -7.4114 -7.4114 -2.7631 -2.7631 -2.5356 -2.5356 -2.4590 -2.4590 3.1250 3.1250 3.5544 3.5544 3.9779 3.9779 5.3278 5.3278 5.3450 5.3450 6.3760 6.3760 7.0378 7.0378 7.0545 7.0545 8.3646 8.3646 12.6647 12.6647 12.7366 12.7366 13.5761 13.5761 15.0837 15.0837 k = 0.5000 0.5000 0.1135 ( 2468 PWs) bands (ev): -46.4337 -46.4337 -24.0830 -24.0830 -22.0390 -22.0390 -22.0128 -22.0128 -18.9964 -18.9964 -8.3921 -8.3921 -7.5150 -7.5150 -7.4097 -7.4097 -2.7690 -2.7690 -2.5412 -2.5412 -2.4668 -2.4668 3.1253 3.1253 3.5540 3.5540 3.9925 3.9925 5.2895 5.2895 5.3060 5.3060 6.2778 6.2778 7.0874 7.0874 7.1042 7.1042 8.3654 8.3654 12.6833 12.6833 12.7552 12.7552 13.5780 13.5780 15.1937 15.1937 k = 0.5000 0.5000 0.1261 ( 2468 PWs) bands (ev): -46.4336 -46.4336 -24.0837 -24.0837 -22.0389 -22.0389 -22.0152 -22.0152 -18.9961 -18.9961 -8.3678 -8.3678 -7.5130 -7.5130 -7.4078 -7.4078 -2.7754 -2.7754 -2.5474 -2.5474 -2.4752 -2.4752 3.1257 3.1257 3.5533 3.5533 4.0086 4.0086 5.2499 5.2499 5.2658 5.2658 6.1727 6.1727 7.1393 7.1393 7.1562 7.1562 8.3664 8.3664 12.7039 12.7039 12.7759 12.7759 13.5800 13.5800 15.3112 15.3112 k = 0.5000 0.5000 0.1387 ( 2468 PWs) bands (ev): -46.4336 -46.4336 -24.0845 -24.0845 -22.0387 -22.0387 -22.0177 -22.0177 -18.9957 -18.9957 -8.3413 -8.3413 -7.5107 -7.5107 -7.4058 -7.4058 -2.7823 -2.7823 -2.5541 -2.5541 -2.4843 -2.4843 3.1261 3.1261 3.5526 3.5526 4.0259 4.0259 5.2094 5.2094 5.2247 5.2247 6.0618 6.0618 7.1929 7.1929 7.2099 7.2099 8.3674 8.3674 12.7265 12.7265 12.7986 12.7986 13.5822 13.5822 15.4348 15.4348 k = 0.5000 0.5000 0.1513 ( 2468 PWs) bands (ev): -46.4335 -46.4335 -24.0853 -24.0853 -22.0385 -22.0385 -22.0204 -22.0204 -18.9953 -18.9953 -8.3129 -8.3129 -7.5083 -7.5083 -7.4036 -7.4036 -2.7897 -2.7897 -2.5612 -2.5612 -2.4940 -2.4940 3.1265 3.1265 3.5515 3.5515 4.0443 4.0443 5.1686 5.1686 5.1832 5.1832 5.9460 5.9460 7.2478 7.2478 7.2648 7.2648 8.3685 8.3685 12.7511 12.7511 12.8233 12.8233 13.5845 13.5845 15.5629 15.5629 k = 0.5000 0.5000 0.1640 ( 2468 PWs) bands (ev): -46.4334 -46.4334 -24.0862 -24.0862 -22.0383 -22.0383 -22.0233 -22.0233 -18.9949 -18.9949 -8.2827 -8.2827 -7.5057 -7.5057 -7.4012 -7.4012 -2.7976 -2.7976 -2.5687 -2.5687 -2.5042 -2.5042 3.1269 3.1269 3.5503 3.5503 4.0638 4.0638 5.1277 5.1277 5.1417 5.1417 5.8266 5.8266 7.3034 7.3034 7.3204 7.3204 8.3696 8.3696 12.7777 12.7777 12.8499 12.8499 13.5870 13.5870 15.6940 15.6940 k = 0.5000 0.5000 0.1766 ( 2460 PWs) bands (ev): -46.4333 -46.4333 -24.0871 -24.0871 -22.0382 -22.0382 -22.0262 -22.0262 -18.9945 -18.9945 -8.2509 -8.2509 -7.5030 -7.5030 -7.3988 -7.3988 -2.8058 -2.8058 -2.5766 -2.5766 -2.5148 -2.5148 3.1273 3.1273 3.5487 3.5487 4.0842 4.0842 5.0871 5.0871 5.1005 5.1005 5.7044 5.7044 7.3594 7.3594 7.3763 7.3763 8.3708 8.3708 12.8060 12.8060 12.8784 12.8784 13.5896 13.5896 15.8263 15.8263 k = 0.5000 0.5000 0.1892 ( 2460 PWs) bands (ev): -46.4332 -46.4332 -24.0880 -24.0880 -22.0380 -22.0380 -22.0293 -22.0293 -18.9940 -18.9940 -8.2175 -8.2175 -7.5001 -7.5001 -7.3963 -7.3963 -2.8143 -2.8143 -2.5848 -2.5848 -2.5257 -2.5257 3.1278 3.1278 3.5467 3.5467 4.1053 4.1053 5.0469 5.0469 5.0597 5.0597 5.5805 5.5805 7.4153 7.4153 7.4322 7.4322 8.3721 8.3721 12.8361 12.8361 12.9086 12.9086 13.5922 13.5922 15.9583 15.9583 k = 0.5000 0.5000 0.2018 ( 2460 PWs) bands (ev): -46.4331 -46.4331 -24.0890 -24.0890 -22.0378 -22.0378 -22.0325 -22.0325 -18.9936 -18.9936 -8.1829 -8.1829 -7.4970 -7.4970 -7.3936 -7.3936 -2.8231 -2.8231 -2.5933 -2.5933 -2.5370 -2.5370 3.1283 3.1283 3.5443 3.5443 4.1270 4.1270 5.0075 5.0075 5.0197 5.0197 5.4559 5.4559 7.4709 7.4709 7.4877 7.4877 8.3734 8.3734 12.8679 12.8679 12.9404 12.9404 13.5950 13.5950 16.0880 16.0880 k = 0.5000 0.5000 0.2144 ( 2460 PWs) bands (ev): -46.4330 -46.4330 -24.0901 -24.0901 -22.0376 -22.0376 -22.0357 -22.0357 -18.9931 -18.9931 -8.1472 -8.1472 -7.4939 -7.4939 -7.3909 -7.3909 -2.8321 -2.8321 -2.6019 -2.6019 -2.5484 -2.5484 3.1287 3.1287 3.5413 3.5413 4.1493 4.1493 4.9689 4.9689 4.9806 4.9806 5.3313 5.3313 7.5259 7.5259 7.5425 7.5425 8.3747 8.3747 12.9012 12.9012 12.9738 12.9738 13.5978 13.5978 16.2135 16.2135 k = 0.5000 0.5000 0.2270 ( 2460 PWs) bands (ev): -46.4329 -46.4329 -24.0911 -24.0911 -22.0390 -22.0390 -22.0374 -22.0374 -18.9926 -18.9926 -8.1106 -8.1106 -7.4906 -7.4906 -7.3882 -7.3882 -2.8413 -2.8413 -2.6107 -2.6107 -2.5600 -2.5600 3.1292 3.1292 3.5377 3.5377 4.1718 4.1718 4.9313 4.9313 4.9425 4.9425 5.2078 5.2078 7.5799 7.5799 7.5963 7.5963 8.3761 8.3761 12.9359 12.9359 13.0086 13.0086 13.6006 13.6006 16.3328 16.3328 k = 0.5000 0.5000 0.2396 ( 2460 PWs) bands (ev): -46.4329 -46.4329 -24.0921 -24.0921 -22.0423 -22.0423 -22.0371 -22.0371 -18.9921 -18.9921 -8.0734 -8.0734 -7.4873 -7.4873 -7.3854 -7.3854 -2.8505 -2.8505 -2.6196 -2.6196 -2.5716 -2.5716 3.1297 3.1297 3.5332 3.5332 4.1946 4.1946 4.8948 4.8948 4.9057 4.9057 5.0863 5.0863 7.6328 7.6328 7.6490 7.6490 8.3774 8.3774 12.9719 12.9719 13.0446 13.0446 13.6036 13.6036 16.4439 16.4439 k = 0.5000 0.5000 0.2522 ( 2452 PWs) bands (ev): -46.4327 -46.4327 -24.0932 -24.0932 -22.0456 -22.0456 -22.0369 -22.0369 -18.9916 -18.9916 -8.0359 -8.0359 -7.4838 -7.4838 -7.3826 -7.3826 -2.8598 -2.8598 -2.6285 -2.6285 -2.5832 -2.5832 3.1302 3.1302 3.5279 3.5279 4.2174 4.2174 4.8592 4.8592 4.8702 4.8702 4.9678 4.9678 7.6842 7.6842 7.7002 7.7002 8.3788 8.3788 13.0090 13.0090 13.0816 13.0816 13.6065 13.6065 16.5451 16.5451 k = 0.5000 0.5000 0.2649 ( 2436 PWs) bands (ev): -46.4324 -46.4324 -24.0942 -24.0942 -22.0489 -22.0489 -22.0367 -22.0367 -18.9911 -18.9911 -7.9981 -7.9981 -7.4802 -7.4802 -7.3798 -7.3798 -2.8690 -2.8690 -2.6373 -2.6373 -2.5946 -2.5946 3.1307 3.1307 3.5214 3.5214 4.2400 4.2400 4.8215 4.8215 4.8362 4.8362 4.8564 4.8564 7.7341 7.7341 7.7498 7.7498 8.3802 8.3802 13.0470 13.0470 13.1196 13.1196 13.6095 13.6095 16.6347 16.6347 k = 0.5000 0.5000 0.2775 ( 2436 PWs) bands (ev): -46.4323 -46.4323 -24.0953 -24.0953 -22.0521 -22.0521 -22.0365 -22.0365 -18.9906 -18.9906 -7.9605 -7.9605 -7.4765 -7.4765 -7.3770 -7.3770 -2.8782 -2.8782 -2.6461 -2.6461 -2.6059 -2.6059 3.1312 3.1312 3.5136 3.5136 4.2625 4.2625 4.7363 4.7363 4.7981 4.7981 4.8036 4.8036 7.7822 7.7822 7.7977 7.7977 8.3815 8.3815 13.0856 13.0856 13.1580 13.1580 13.6126 13.6126 16.7118 16.7118 k = 0.5000 0.5000 0.2901 ( 2436 PWs) bands (ev): -46.4323 -46.4323 -24.0963 -24.0963 -22.0553 -22.0553 -22.0363 -22.0363 -18.9901 -18.9901 -7.9233 -7.9233 -7.4727 -7.4727 -7.3743 -7.3743 -2.8872 -2.8872 -2.6548 -2.6548 -2.6170 -2.6170 3.1317 3.1317 3.5042 3.5042 4.2845 4.2845 4.6316 4.6316 4.7661 4.7661 4.7726 4.7726 7.8283 7.8283 7.8435 7.8435 8.3828 8.3828 13.1247 13.1247 13.1968 13.1968 13.6156 13.6156 16.7761 16.7761 k = 0.5000 0.5000 0.3027 ( 2436 PWs) bands (ev): -46.4322 -46.4322 -24.0973 -24.0973 -22.0584 -22.0584 -22.0361 -22.0361 -18.9897 -18.9897 -7.8868 -7.8868 -7.4689 -7.4689 -7.3716 -7.3716 -2.8960 -2.8960 -2.6632 -2.6632 -2.6278 -2.6278 3.1322 3.1322 3.4930 3.4930 4.3060 4.3060 4.5316 4.5316 4.7368 4.7368 4.7433 4.7433 7.8723 7.8723 7.8872 7.8872 8.3841 8.3841 13.1639 13.1639 13.2356 13.2356 13.6188 13.6188 16.8282 16.8282 k = 0.5000 0.5000 0.3153 ( 2428 PWs) bands (ev): -46.4320 -46.4320 -24.0983 -24.0983 -22.0614 -22.0614 -22.0359 -22.0359 -18.9892 -18.9892 -7.8513 -7.8513 -7.4649 -7.4649 -7.3690 -7.3690 -2.9045 -2.9045 -2.6714 -2.6714 -2.6381 -2.6381 3.1327 3.1327 3.4797 3.4797 4.3268 4.3268 4.4381 4.4381 4.7094 4.7094 4.7156 4.7156 7.9140 7.9140 7.9287 7.9287 8.3854 8.3854 13.2031 13.2031 13.2742 13.2742 13.6220 13.6220 16.8691 16.8691 k = 0.5000 0.5000 0.3279 ( 2428 PWs) bands (ev): -46.4319 -46.4319 -24.0993 -24.0993 -22.0643 -22.0643 -22.0357 -22.0357 -18.9888 -18.9888 -7.8170 -7.8170 -7.4608 -7.4608 -7.3665 -7.3665 -2.9127 -2.9127 -2.6793 -2.6793 -2.6481 -2.6481 3.1331 3.1331 3.4641 3.4641 4.3468 4.3468 4.3519 4.3519 4.6839 4.6839 4.6897 4.6897 7.9533 7.9533 7.9677 7.9677 8.3866 8.3866 13.2418 13.2418 13.3121 13.3121 13.6253 13.6253 16.9002 16.9002 k = 0.5000 0.5000 0.3405 ( 2456 PWs) bands (ev): -46.4322 -46.4322 -24.1002 -24.1002 -22.0671 -22.0671 -22.0356 -22.0356 -18.9884 -18.9884 -7.7842 -7.7842 -7.4565 -7.4565 -7.3641 -7.3641 -2.9207 -2.9207 -2.6869 -2.6869 -2.6576 -2.6576 3.1335 3.1335 3.4460 3.4460 4.2736 4.2736 4.3659 4.3659 4.6601 4.6601 4.6656 4.6656 7.9901 7.9901 8.0043 8.0043 8.3878 8.3878 13.2796 13.2796 13.3488 13.3488 13.6287 13.6287 16.9232 16.9232 k = 0.5000 0.5000 0.3531 ( 2464 PWs) bands (ev): -46.4323 -46.4323 -24.1011 -24.1011 -22.0696 -22.0696 -22.0354 -22.0354 -18.9880 -18.9880 -7.7534 -7.7534 -7.4521 -7.4521 -7.3618 -7.3618 -2.9281 -2.9281 -2.6940 -2.6940 -2.6665 -2.6665 3.1339 3.1339 3.4254 3.4254 4.2038 4.2038 4.3839 4.3839 4.6381 4.6381 4.6433 4.6433 8.0243 8.0243 8.0382 8.0382 8.3889 8.3889 13.3164 13.3164 13.3841 13.3841 13.6324 13.6324 16.9397 16.9397 k = 0.5000 0.5000 0.3658 ( 2464 PWs) bands (ev): -46.4322 -46.4322 -24.1019 -24.1019 -22.0721 -22.0721 -22.0353 -22.0353 -18.9876 -18.9876 -7.7246 -7.7246 -7.4476 -7.4476 -7.3597 -7.3597 -2.9351 -2.9351 -2.7007 -2.7007 -2.6748 -2.6748 3.1343 3.1343 3.4024 3.4024 4.1427 4.1427 4.4008 4.4008 4.6180 4.6180 4.6229 4.6229 8.0559 8.0559 8.0695 8.0695 8.3900 8.3900 13.3518 13.3518 13.4175 13.4175 13.6365 13.6365 16.9511 16.9511 k = 0.5000 0.5000 0.3784 ( 2464 PWs) bands (ev): -46.4321 -46.4321 -24.1026 -24.1026 -22.0743 -22.0743 -22.0351 -22.0351 -18.9873 -18.9873 -7.6982 -7.6982 -7.4429 -7.4429 -7.3577 -7.3577 -2.9415 -2.9415 -2.7068 -2.7068 -2.6825 -2.6825 3.1346 3.1346 3.3775 3.3775 4.0903 4.0903 4.4164 4.4164 4.5998 4.5998 4.6043 4.6043 8.0846 8.0846 8.0980 8.0980 8.3909 8.3909 13.3854 13.3854 13.4484 13.4484 13.6411 13.6411 16.9585 16.9585 k = 0.5000 0.5000 0.3910 ( 2464 PWs) bands (ev): -46.4321 -46.4321 -24.1033 -24.1033 -22.0763 -22.0763 -22.0350 -22.0350 -18.9870 -18.9870 -7.6745 -7.6745 -7.4381 -7.4381 -7.3559 -7.3559 -2.9474 -2.9474 -2.7125 -2.7125 -2.6894 -2.6894 3.1349 3.1349 3.3515 3.3515 4.0462 4.0462 4.4306 4.4306 4.5834 4.5834 4.5877 4.5877 8.1104 8.1104 8.1236 8.1236 8.3918 8.3918 13.4168 13.4168 13.4764 13.4764 13.6463 13.6463 16.9630 16.9630 k = 0.5000 0.5000 0.4036 ( 2464 PWs) bands (ev): -46.4320 -46.4320 -24.1039 -24.1039 -22.0781 -22.0781 -22.0349 -22.0349 -18.9867 -18.9867 -7.6535 -7.6535 -7.4332 -7.4332 -7.3543 -7.3543 -2.9526 -2.9526 -2.7175 -2.7175 -2.6957 -2.6957 3.1352 3.1352 3.3252 3.3252 4.0099 4.0099 4.4434 4.4434 4.5689 4.5689 4.5729 4.5729 8.1334 8.1334 8.1464 8.1464 8.3926 8.3926 13.4456 13.4456 13.5008 13.5008 13.6522 13.6522 16.9654 16.9654 k = 0.5000 0.5000 0.4162 ( 2456 PWs) bands (ev): -46.4319 -46.4319 -24.1045 -24.1045 -22.0797 -22.0797 -22.0347 -22.0347 -18.9864 -18.9864 -7.6355 -7.6355 -7.4284 -7.4284 -7.3528 -7.3528 -2.9573 -2.9573 -2.7220 -2.7220 -2.7011 -2.7011 3.1355 3.1355 3.2996 3.2996 3.9804 3.9804 4.4546 4.4546 4.5563 4.5563 4.5601 4.5601 8.1534 8.1534 8.1662 8.1662 8.3933 8.3933 13.4714 13.4714 13.5214 13.5214 13.6588 13.6588 16.9663 16.9663 k = 0.5000 0.5000 0.4288 ( 2452 PWs) bands (ev): -46.4318 -46.4318 -24.1049 -24.1049 -22.0811 -22.0811 -22.0347 -22.0347 -18.9862 -18.9862 -7.6204 -7.6204 -7.4238 -7.4238 -7.3516 -7.3516 -2.9612 -2.9612 -2.7258 -2.7258 -2.7058 -2.7058 3.1357 3.1357 3.2759 3.2759 3.9572 3.9572 4.4643 4.4643 4.5457 4.5457 4.5493 4.5493 8.1704 8.1704 8.1831 8.1831 8.3940 8.3940 13.4940 13.4940 13.5380 13.5380 13.6660 13.6660 16.9663 16.9663 k = 0.5000 0.5000 0.4414 ( 2452 PWs) bands (ev): -46.4318 -46.4318 -24.1053 -24.1053 -22.0822 -22.0822 -22.0346 -22.0346 -18.9861 -18.9861 -7.6082 -7.6082 -7.4196 -7.4196 -7.3505 -7.3505 -2.9645 -2.9645 -2.7289 -2.7289 -2.7097 -2.7097 3.1359 3.1359 3.2551 3.2551 3.9392 3.9392 4.4722 4.4722 4.5369 4.5369 4.5404 4.5404 8.1843 8.1843 8.1969 8.1969 8.3945 8.3945 13.5129 13.5129 13.5506 13.5506 13.6732 13.6732 16.9657 16.9657 k = 0.5000 0.5000 0.4540 ( 2448 PWs) bands (ev): -46.4317 -46.4317 -24.1056 -24.1056 -22.0831 -22.0831 -22.0345 -22.0345 -18.9859 -18.9859 -7.5989 -7.5989 -7.4161 -7.4161 -7.3497 -7.3497 -2.9671 -2.9671 -2.7314 -2.7314 -2.7127 -2.7127 3.1360 3.1360 3.2380 3.2380 3.9260 3.9260 4.4785 4.4785 4.5301 4.5301 4.5335 4.5335 8.1952 8.1952 8.2077 8.2077 8.3949 8.3949 13.5280 13.5280 13.5598 13.5598 13.6799 13.6799 16.9649 16.9649 k = 0.5000 0.5000 0.4667 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1058 -24.1058 -22.0838 -22.0838 -22.0345 -22.0345 -18.9858 -18.9858 -7.5923 -7.5923 -7.4133 -7.4133 -7.3492 -7.3492 -2.9690 -2.9690 -2.7332 -2.7332 -2.7149 -2.7149 3.1361 3.1361 3.2253 3.2253 3.9170 3.9170 4.4830 4.4830 4.5253 4.5253 4.5285 4.5285 8.2029 8.2029 8.2154 8.2154 8.3952 8.3952 13.5388 13.5388 13.5658 13.5658 13.6853 13.6853 16.9642 16.9642 k = 0.5000 0.5000 0.4793 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1060 -22.0841 -22.0841 -22.0345 -22.0345 -18.9858 -18.9858 -7.5884 -7.5884 -7.4116 -7.4116 -7.3488 -7.3488 -2.9701 -2.9701 -2.7343 -2.7343 -2.7162 -2.7162 3.1362 3.1362 3.2175 3.2175 3.9117 3.9117 4.4857 4.4857 4.5224 4.5224 4.5255 4.5255 8.2076 8.2076 8.2200 8.2200 8.3953 8.3953 13.5454 13.5454 13.5693 13.5693 13.6888 13.6888 16.9637 16.9637 k = 0.5000 0.5000 0.4919 ( 2456 PWs) bands (ev): -46.4318 -46.4318 -24.1060 -24.1060 -22.0843 -22.0843 -22.0344 -22.0344 -18.9857 -18.9857 -7.5871 -7.5871 -7.4110 -7.4110 -7.3487 -7.3487 -2.9705 -2.9705 -2.7346 -2.7346 -2.7167 -2.7167 3.1362 3.1362 3.2148 3.2148 3.9099 3.9099 4.4866 4.4866 4.5214 4.5214 4.5245 4.5245 8.2092 8.2092 8.2216 8.2216 8.3954 8.3954 13.5476 13.5476 13.5704 13.5704 13.6900 13.6900 16.9635 16.9635 Writing output data file KNbO3.save init_run : 8.74s CPU 9.03s WALL ( 1 calls) electrons : 289.37s CPU 300.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 289.35s CPU 300.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 398 calls) cegterg : 255.14s CPU 259.16s WALL ( 711 calls) Called by sum_band: Called by *egterg: h_psi : 115.94s CPU 118.58s WALL ( 12669 calls) s_psi : 15.53s CPU 15.77s WALL ( 12669 calls) g_psi : 0.26s CPU 0.29s WALL ( 11560 calls) cdiaghg : 102.16s CPU 103.37s WALL ( 11958 calls) cegterg:over : 13.32s CPU 13.28s WALL ( 11560 calls) cegterg:upda : 9.63s CPU 9.79s WALL ( 11560 calls) cegterg:last : 6.40s CPU 6.44s WALL ( 2093 calls) cdiaghg:chol : 4.98s CPU 5.01s WALL ( 11958 calls) cdiaghg:inve : 3.75s CPU 3.80s WALL ( 11958 calls) cdiaghg:para : 8.48s CPU 8.62s WALL ( 23916 calls) Called by h_psi: h_psi:vloc : 96.93s CPU 99.15s WALL ( 12669 calls) h_psi:vnl : 18.71s CPU 19.18s WALL ( 12669 calls) add_vuspsi : 9.16s CPU 9.33s WALL ( 12669 calls) General routines calbec : 9.50s CPU 9.80s WALL ( 12669 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 90.77s CPU 92.86s WALL ( 1246032 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.18s WALL ( 796 calls) Parallel routines fft_scatter : 44.33s CPU 45.49s WALL ( 1246055 calls) PWSCF : 5m36.43s CPU 16m37.26s WALL This run was terminated on: 17:44:15 3Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=