Program PWSCF v.5.1.1 starts on 3Jun2016 at 17:27:57 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 5 898 404 67 Max 32 19 6 903 418 72 Sum 1481 877 261 43205 19685 3295 bravais-lattice index = 14 lattice parameter (alat) = 7.5549 a.u. unit-cell volume = 438.3936 (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)= 7.554898 celldm(2)= 1.000000 celldm(3)= 1.016666 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 1.016666 ) 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 0.983607 ) 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 0.0126103), wk = 0.0025126 k( 142) = ( 0.0000000 0.0000000 0.0252207), wk = 0.0025126 k( 143) = ( 0.0000000 0.0000000 0.0378310), wk = 0.0025126 k( 144) = ( 0.0000000 0.0000000 0.0504414), wk = 0.0025126 k( 145) = ( 0.0000000 0.0000000 0.0630517), wk = 0.0025126 k( 146) = ( 0.0000000 0.0000000 0.0756621), wk = 0.0025126 k( 147) = ( 0.0000000 0.0000000 0.0882724), wk = 0.0025126 k( 148) = ( 0.0000000 0.0000000 0.1008828), wk = 0.0025126 k( 149) = ( 0.0000000 0.0000000 0.1134931), wk = 0.0025126 k( 150) = ( 0.0000000 0.0000000 0.1261034), wk = 0.0025126 k( 151) = ( 0.0000000 0.0000000 0.1387138), wk = 0.0025126 k( 152) = ( 0.0000000 0.0000000 0.1513241), wk = 0.0025126 k( 153) = ( 0.0000000 0.0000000 0.1639345), wk = 0.0025126 k( 154) = ( 0.0000000 0.0000000 0.1765448), wk = 0.0025126 k( 155) = ( 0.0000000 0.0000000 0.1891552), wk = 0.0025126 k( 156) = ( 0.0000000 0.0000000 0.2017655), wk = 0.0025126 k( 157) = ( 0.0000000 0.0000000 0.2143759), wk = 0.0025126 k( 158) = ( 0.0000000 0.0000000 0.2269862), wk = 0.0025126 k( 159) = ( 0.0000000 0.0000000 0.2395965), wk = 0.0025126 k( 160) = ( 0.0000000 0.0000000 0.2522069), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.2648172), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.2774276), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.2900379), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.3026483), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.3152586), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.3278690), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.3404793), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.3530897), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3657000), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3783103), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3909207), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4035310), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4161414), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4287517), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.4413621), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.4539724), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.4665827), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.4791931), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.4918034), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.4918034), wk = 0.0025126 k( 181) = ( 0.0000000 0.0125000 0.4918034), wk = 0.0025126 k( 182) = ( 0.0000000 0.0250000 0.4918034), wk = 0.0025126 k( 183) = ( 0.0000000 0.0375000 0.4918034), wk = 0.0025126 k( 184) = ( 0.0000000 0.0500000 0.4918034), wk = 0.0025126 k( 185) = ( 0.0000000 0.0625000 0.4918034), wk = 0.0025126 k( 186) = ( 0.0000000 0.0750000 0.4918034), wk = 0.0025126 k( 187) = ( 0.0000000 0.0875000 0.4918034), wk = 0.0025126 k( 188) = ( 0.0000000 0.1000000 0.4918034), wk = 0.0025126 k( 189) = ( 0.0000000 0.1125000 0.4918034), wk = 0.0025126 k( 190) = ( 0.0000000 0.1250000 0.4918034), wk = 0.0025126 k( 191) = ( 0.0000000 0.1375000 0.4918034), wk = 0.0025126 k( 192) = ( 0.0000000 0.1500000 0.4918034), wk = 0.0025126 k( 193) = ( 0.0000000 0.1625000 0.4918034), wk = 0.0025126 k( 194) = ( 0.0000000 0.1750000 0.4918034), wk = 0.0025126 k( 195) = ( 0.0000000 0.1875000 0.4918034), wk = 0.0025126 k( 196) = ( 0.0000000 0.2000000 0.4918034), wk = 0.0025126 k( 197) = ( 0.0000000 0.2125000 0.4918034), wk = 0.0025126 k( 198) = ( 0.0000000 0.2250000 0.4918034), wk = 0.0025126 k( 199) = ( 0.0000000 0.2375000 0.4918034), wk = 0.0025126 k( 200) = ( 0.0000000 0.2500000 0.4918034), wk = 0.0025126 k( 201) = ( 0.0000000 0.2625000 0.4918034), wk = 0.0025126 k( 202) = ( 0.0000000 0.2750000 0.4918034), wk = 0.0025126 k( 203) = ( 0.0000000 0.2875000 0.4918034), wk = 0.0025126 k( 204) = ( 0.0000000 0.3000000 0.4918034), wk = 0.0025126 k( 205) = ( 0.0000000 0.3125000 0.4918034), wk = 0.0025126 k( 206) = ( 0.0000000 0.3250000 0.4918034), wk = 0.0025126 k( 207) = ( 0.0000000 0.3375000 0.4918034), wk = 0.0025126 k( 208) = ( 0.0000000 0.3500000 0.4918034), wk = 0.0025126 k( 209) = ( 0.0000000 0.3625000 0.4918034), wk = 0.0025126 k( 210) = ( 0.0000000 0.3750000 0.4918034), wk = 0.0025126 k( 211) = ( 0.0000000 0.3875000 0.4918034), wk = 0.0025126 k( 212) = ( 0.0000000 0.4000000 0.4918034), wk = 0.0025126 k( 213) = ( 0.0000000 0.4125000 0.4918034), wk = 0.0025126 k( 214) = ( 0.0000000 0.4250000 0.4918034), wk = 0.0025126 k( 215) = ( 0.0000000 0.4375000 0.4918034), wk = 0.0025126 k( 216) = ( 0.0000000 0.4500000 0.4918034), wk = 0.0025126 k( 217) = ( 0.0000000 0.4625000 0.4918034), wk = 0.0025126 k( 218) = ( 0.0000000 0.4750000 0.4918034), wk = 0.0025126 k( 219) = ( 0.0000000 0.4875000 0.4918034), wk = 0.0025126 k( 220) = ( 0.0000000 0.5000000 0.4918034), wk = 0.0025126 k( 221) = ( 0.0000000 0.5000000 0.4918034), wk = 0.0025126 k( 222) = ( 0.0125000 0.5000000 0.4918034), wk = 0.0025126 k( 223) = ( 0.0250000 0.5000000 0.4918034), wk = 0.0025126 k( 224) = ( 0.0375000 0.5000000 0.4918034), wk = 0.0025126 k( 225) = ( 0.0500000 0.5000000 0.4918034), wk = 0.0025126 k( 226) = ( 0.0625000 0.5000000 0.4918034), wk = 0.0025126 k( 227) = ( 0.0750000 0.5000000 0.4918034), wk = 0.0025126 k( 228) = ( 0.0875000 0.5000000 0.4918034), wk = 0.0025126 k( 229) = ( 0.1000000 0.5000000 0.4918034), wk = 0.0025126 k( 230) = ( 0.1125000 0.5000000 0.4918034), wk = 0.0025126 k( 231) = ( 0.1250000 0.5000000 0.4918034), wk = 0.0025126 k( 232) = ( 0.1375000 0.5000000 0.4918034), wk = 0.0025126 k( 233) = ( 0.1500000 0.5000000 0.4918034), wk = 0.0025126 k( 234) = ( 0.1625000 0.5000000 0.4918034), wk = 0.0025126 k( 235) = ( 0.1750000 0.5000000 0.4918034), wk = 0.0025126 k( 236) = ( 0.1875000 0.5000000 0.4918034), wk = 0.0025126 k( 237) = ( 0.2000000 0.5000000 0.4918034), wk = 0.0025126 k( 238) = ( 0.2125000 0.5000000 0.4918034), wk = 0.0025126 k( 239) = ( 0.2250000 0.5000000 0.4918034), wk = 0.0025126 k( 240) = ( 0.2375000 0.5000000 0.4918034), wk = 0.0025126 k( 241) = ( 0.2500000 0.5000000 0.4918034), wk = 0.0025126 k( 242) = ( 0.2625000 0.5000000 0.4918034), wk = 0.0025126 k( 243) = ( 0.2750000 0.5000000 0.4918034), wk = 0.0025126 k( 244) = ( 0.2875000 0.5000000 0.4918034), wk = 0.0025126 k( 245) = ( 0.3000000 0.5000000 0.4918034), wk = 0.0025126 k( 246) = ( 0.3125000 0.5000000 0.4918034), wk = 0.0025126 k( 247) = ( 0.3250000 0.5000000 0.4918034), wk = 0.0025126 k( 248) = ( 0.3375000 0.5000000 0.4918034), wk = 0.0025126 k( 249) = ( 0.3500000 0.5000000 0.4918034), wk = 0.0025126 k( 250) = ( 0.3625000 0.5000000 0.4918034), wk = 0.0025126 k( 251) = ( 0.3750000 0.5000000 0.4918034), wk = 0.0025126 k( 252) = ( 0.3875000 0.5000000 0.4918034), wk = 0.0025126 k( 253) = ( 0.4000000 0.5000000 0.4918034), wk = 0.0025126 k( 254) = ( 0.4125000 0.5000000 0.4918034), wk = 0.0025126 k( 255) = ( 0.4250000 0.5000000 0.4918034), wk = 0.0025126 k( 256) = ( 0.4375000 0.5000000 0.4918034), wk = 0.0025126 k( 257) = ( 0.4500000 0.5000000 0.4918034), wk = 0.0025126 k( 258) = ( 0.4625000 0.5000000 0.4918034), wk = 0.0025126 k( 259) = ( 0.4750000 0.5000000 0.4918034), wk = 0.0025126 k( 260) = ( 0.4875000 0.5000000 0.4918034), wk = 0.0025126 k( 261) = ( 0.5000000 0.5000000 0.4918034), wk = 0.0025126 k( 262) = ( 0.5000000 0.5000000 0.4918034), wk = 0.0025126 k( 263) = ( 0.4910714 0.4910714 0.4918034), wk = 0.0025126 k( 264) = ( 0.4821429 0.4821429 0.4918034), wk = 0.0025126 k( 265) = ( 0.4732143 0.4732143 0.4918034), wk = 0.0025126 k( 266) = ( 0.4642857 0.4642857 0.4918034), wk = 0.0025126 k( 267) = ( 0.4553571 0.4553571 0.4918034), wk = 0.0025126 k( 268) = ( 0.4464286 0.4464286 0.4918034), wk = 0.0025126 k( 269) = ( 0.4375000 0.4375000 0.4918034), wk = 0.0025126 k( 270) = ( 0.4285714 0.4285714 0.4918034), wk = 0.0025126 k( 271) = ( 0.4196429 0.4196429 0.4918034), wk = 0.0025126 k( 272) = ( 0.4107143 0.4107143 0.4918034), wk = 0.0025126 k( 273) = ( 0.4017857 0.4017857 0.4918034), wk = 0.0025126 k( 274) = ( 0.3928571 0.3928571 0.4918034), wk = 0.0025126 k( 275) = ( 0.3839286 0.3839286 0.4918034), wk = 0.0025126 k( 276) = ( 0.3750000 0.3750000 0.4918034), wk = 0.0025126 k( 277) = ( 0.3660714 0.3660714 0.4918034), wk = 0.0025126 k( 278) = ( 0.3571429 0.3571429 0.4918034), wk = 0.0025126 k( 279) = ( 0.3482143 0.3482143 0.4918034), wk = 0.0025126 k( 280) = ( 0.3392857 0.3392857 0.4918034), wk = 0.0025126 k( 281) = ( 0.3303571 0.3303571 0.4918034), wk = 0.0025126 k( 282) = ( 0.3214286 0.3214286 0.4918034), wk = 0.0025126 k( 283) = ( 0.3125000 0.3125000 0.4918034), wk = 0.0025126 k( 284) = ( 0.3035714 0.3035714 0.4918034), wk = 0.0025126 k( 285) = ( 0.2946429 0.2946429 0.4918034), wk = 0.0025126 k( 286) = ( 0.2857143 0.2857143 0.4918034), wk = 0.0025126 k( 287) = ( 0.2767857 0.2767857 0.4918034), wk = 0.0025126 k( 288) = ( 0.2678571 0.2678571 0.4918034), wk = 0.0025126 k( 289) = ( 0.2589286 0.2589286 0.4918034), wk = 0.0025126 k( 290) = ( 0.2500000 0.2500000 0.4918034), wk = 0.0025126 k( 291) = ( 0.2410714 0.2410714 0.4918034), wk = 0.0025126 k( 292) = ( 0.2321429 0.2321429 0.4918034), wk = 0.0025126 k( 293) = ( 0.2232143 0.2232143 0.4918034), wk = 0.0025126 k( 294) = ( 0.2142857 0.2142857 0.4918034), wk = 0.0025126 k( 295) = ( 0.2053571 0.2053571 0.4918034), wk = 0.0025126 k( 296) = ( 0.1964286 0.1964286 0.4918034), wk = 0.0025126 k( 297) = ( 0.1875000 0.1875000 0.4918034), wk = 0.0025126 k( 298) = ( 0.1785714 0.1785714 0.4918034), wk = 0.0025126 k( 299) = ( 0.1696429 0.1696429 0.4918034), wk = 0.0025126 k( 300) = ( 0.1607143 0.1607143 0.4918034), wk = 0.0025126 k( 301) = ( 0.1517857 0.1517857 0.4918034), wk = 0.0025126 k( 302) = ( 0.1428571 0.1428571 0.4918034), wk = 0.0025126 k( 303) = ( 0.1339286 0.1339286 0.4918034), wk = 0.0025126 k( 304) = ( 0.1250000 0.1250000 0.4918034), wk = 0.0025126 k( 305) = ( 0.1160714 0.1160714 0.4918034), wk = 0.0025126 k( 306) = ( 0.1071429 0.1071429 0.4918034), wk = 0.0025126 k( 307) = ( 0.0982143 0.0982143 0.4918034), wk = 0.0025126 k( 308) = ( 0.0892857 0.0892857 0.4918034), wk = 0.0025126 k( 309) = ( 0.0803571 0.0803571 0.4918034), wk = 0.0025126 k( 310) = ( 0.0714286 0.0714286 0.4918034), wk = 0.0025126 k( 311) = ( 0.0625000 0.0625000 0.4918034), wk = 0.0025126 k( 312) = ( 0.0535714 0.0535714 0.4918034), wk = 0.0025126 k( 313) = ( 0.0446429 0.0446429 0.4918034), wk = 0.0025126 k( 314) = ( 0.0357143 0.0357143 0.4918034), wk = 0.0025126 k( 315) = ( 0.0267857 0.0267857 0.4918034), wk = 0.0025126 k( 316) = ( 0.0178571 0.0178571 0.4918034), wk = 0.0025126 k( 317) = ( 0.0089286 0.0089286 0.4918034), wk = 0.0025126 k( 318) = ( 0.0000000 0.0000000 0.4918034), wk = 0.0025126 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 320) = ( 0.0000000 0.5000000 0.0126103), wk = 0.0025126 k( 321) = ( 0.0000000 0.5000000 0.0252207), wk = 0.0025126 k( 322) = ( 0.0000000 0.5000000 0.0378310), wk = 0.0025126 k( 323) = ( 0.0000000 0.5000000 0.0504414), wk = 0.0025126 k( 324) = ( 0.0000000 0.5000000 0.0630517), wk = 0.0025126 k( 325) = ( 0.0000000 0.5000000 0.0756621), wk = 0.0025126 k( 326) = ( 0.0000000 0.5000000 0.0882724), wk = 0.0025126 k( 327) = ( 0.0000000 0.5000000 0.1008828), wk = 0.0025126 k( 328) = ( 0.0000000 0.5000000 0.1134931), wk = 0.0025126 k( 329) = ( 0.0000000 0.5000000 0.1261034), wk = 0.0025126 k( 330) = ( 0.0000000 0.5000000 0.1387138), wk = 0.0025126 k( 331) = ( 0.0000000 0.5000000 0.1513241), wk = 0.0025126 k( 332) = ( 0.0000000 0.5000000 0.1639345), wk = 0.0025126 k( 333) = ( 0.0000000 0.5000000 0.1765448), wk = 0.0025126 k( 334) = ( 0.0000000 0.5000000 0.1891552), wk = 0.0025126 k( 335) = ( 0.0000000 0.5000000 0.2017655), wk = 0.0025126 k( 336) = ( 0.0000000 0.5000000 0.2143759), wk = 0.0025126 k( 337) = ( 0.0000000 0.5000000 0.2269862), wk = 0.0025126 k( 338) = ( 0.0000000 0.5000000 0.2395965), wk = 0.0025126 k( 339) = ( 0.0000000 0.5000000 0.2522069), wk = 0.0025126 k( 340) = ( 0.0000000 0.5000000 0.2648172), wk = 0.0025126 k( 341) = ( 0.0000000 0.5000000 0.2774276), wk = 0.0025126 k( 342) = ( 0.0000000 0.5000000 0.2900379), wk = 0.0025126 k( 343) = ( 0.0000000 0.5000000 0.3026483), wk = 0.0025126 k( 344) = ( 0.0000000 0.5000000 0.3152586), wk = 0.0025126 k( 345) = ( 0.0000000 0.5000000 0.3278690), wk = 0.0025126 k( 346) = ( 0.0000000 0.5000000 0.3404793), wk = 0.0025126 k( 347) = ( 0.0000000 0.5000000 0.3530897), wk = 0.0025126 k( 348) = ( 0.0000000 0.5000000 0.3657000), wk = 0.0025126 k( 349) = ( 0.0000000 0.5000000 0.3783103), wk = 0.0025126 k( 350) = ( 0.0000000 0.5000000 0.3909207), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 0.4035310), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.4161414), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.4287517), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.4413621), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.4539724), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.4665827), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.4791931), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.4918034), wk = 0.0025126 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 360) = ( 0.5000000 0.5000000 0.0126103), wk = 0.0025126 k( 361) = ( 0.5000000 0.5000000 0.0252207), wk = 0.0025126 k( 362) = ( 0.5000000 0.5000000 0.0378310), wk = 0.0025126 k( 363) = ( 0.5000000 0.5000000 0.0504414), wk = 0.0025126 k( 364) = ( 0.5000000 0.5000000 0.0630517), wk = 0.0025126 k( 365) = ( 0.5000000 0.5000000 0.0756621), wk = 0.0025126 k( 366) = ( 0.5000000 0.5000000 0.0882724), wk = 0.0025126 k( 367) = ( 0.5000000 0.5000000 0.1008828), wk = 0.0025126 k( 368) = ( 0.5000000 0.5000000 0.1134931), wk = 0.0025126 k( 369) = ( 0.5000000 0.5000000 0.1261034), wk = 0.0025126 k( 370) = ( 0.5000000 0.5000000 0.1387138), wk = 0.0025126 k( 371) = ( 0.5000000 0.5000000 0.1513241), wk = 0.0025126 k( 372) = ( 0.5000000 0.5000000 0.1639345), wk = 0.0025126 k( 373) = ( 0.5000000 0.5000000 0.1765448), wk = 0.0025126 k( 374) = ( 0.5000000 0.5000000 0.1891552), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 0.2017655), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.2143759), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.2269862), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.2395965), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.2522069), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.2648172), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.2774276), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.2900379), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.3026483), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.3152586), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.3278690), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.3404793), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.3530897), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.3657000), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3783103), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3909207), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.4035310), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.4161414), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.4287517), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4413621), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4539724), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4665827), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4791931), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.4918034), 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 0.0512821), 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: 43205 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 25.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.6 secs Computing kpt #: 3 total cpu time spent up to now is 28.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.1 secs Computing kpt #: 6 total cpu time spent up to now is 33.1 secs Computing kpt #: 7 total cpu time spent up to now is 34.1 secs Computing kpt #: 8 total cpu time spent up to now is 35.0 secs Computing kpt #: 9 total cpu time spent up to now is 35.9 secs Computing kpt #: 10 total cpu time spent up to now is 36.8 secs Computing kpt #: 11 total cpu time spent up to now is 37.6 secs Computing kpt #: 12 total cpu time spent up to now is 38.4 secs Computing kpt #: 13 total cpu time spent up to now is 39.3 secs Computing kpt #: 14 total cpu time spent up to now is 40.1 secs Computing kpt #: 15 total cpu time spent up to now is 41.0 secs Computing kpt #: 16 total cpu time spent up to now is 41.8 secs Computing kpt #: 17 total cpu time spent up to now is 42.5 secs Computing kpt #: 18 total cpu time spent up to now is 43.3 secs Computing kpt #: 19 total cpu time spent up to now is 44.1 secs Computing kpt #: 20 total cpu time spent up to now is 44.8 secs Computing kpt #: 21 total cpu time spent up to now is 45.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.3 secs Computing kpt #: 23 total cpu time spent up to now is 47.1 secs Computing kpt #: 24 total cpu time spent up to now is 47.7 secs Computing kpt #: 25 total cpu time spent up to now is 48.4 secs Computing kpt #: 26 total cpu time spent up to now is 49.1 secs Computing kpt #: 27 total cpu time spent up to now is 49.7 secs Computing kpt #: 28 total cpu time spent up to now is 50.3 secs Computing kpt #: 29 total cpu time spent up to now is 50.8 secs Computing kpt #: 30 total cpu time spent up to now is 51.5 secs Computing kpt #: 31 total cpu time spent up to now is 52.0 secs Computing kpt #: 32 total cpu time spent up to now is 52.6 secs Computing kpt #: 33 total cpu time spent up to now is 53.2 secs Computing kpt #: 34 total cpu time spent up to now is 53.7 secs Computing kpt #: 35 total cpu time spent up to now is 54.3 secs Computing kpt #: 36 total cpu time spent up to now is 54.9 secs Computing kpt #: 37 total cpu time spent up to now is 55.5 secs Computing kpt #: 38 total cpu time spent up to now is 56.0 secs Computing kpt #: 39 total cpu time spent up to now is 56.6 secs Computing kpt #: 40 total cpu time spent up to now is 59.0 secs Computing kpt #: 41 total cpu time spent up to now is 59.6 secs Computing kpt #: 42 total cpu time spent up to now is 60.1 secs Computing kpt #: 43 total cpu time spent up to now is 60.7 secs Computing kpt #: 44 total cpu time spent up to now is 61.3 secs Computing kpt #: 45 total cpu time spent up to now is 61.9 secs Computing kpt #: 46 total cpu time spent up to now is 62.4 secs Computing kpt #: 47 total cpu time spent up to now is 63.0 secs Computing kpt #: 48 total cpu time spent up to now is 63.5 secs Computing kpt #: 49 total cpu time spent up to now is 64.1 secs Computing kpt #: 50 total cpu time spent up to now is 64.7 secs Computing kpt #: 51 total cpu time spent up to now is 65.2 secs Computing kpt #: 52 total cpu time spent up to now is 65.8 secs Computing kpt #: 53 total cpu time spent up to now is 66.4 secs Computing kpt #: 54 total cpu time spent up to now is 66.9 secs Computing kpt #: 55 total cpu time spent up to now is 67.5 secs Computing kpt #: 56 total cpu time spent up to now is 68.1 secs Computing kpt #: 57 total cpu time spent up to now is 68.6 secs Computing kpt #: 58 total cpu time spent up to now is 69.2 secs Computing kpt #: 59 total cpu time spent up to now is 69.8 secs Computing kpt #: 60 total cpu time spent up to now is 70.3 secs Computing kpt #: 61 total cpu time spent up to now is 70.9 secs Computing kpt #: 62 total cpu time spent up to now is 71.5 secs Computing kpt #: 63 total cpu time spent up to now is 72.0 secs Computing kpt #: 64 total cpu time spent up to now is 72.6 secs Computing kpt #: 65 total cpu time spent up to now is 73.1 secs Computing kpt #: 66 total cpu time spent up to now is 73.7 secs Computing kpt #: 67 total cpu time spent up to now is 74.2 secs Computing kpt #: 68 total cpu time spent up to now is 74.8 secs Computing kpt #: 69 total cpu time spent up to now is 75.4 secs Computing kpt #: 70 total cpu time spent up to now is 75.9 secs Computing kpt #: 71 total cpu time spent up to now is 76.5 secs Computing kpt #: 72 total cpu time spent up to now is 77.0 secs Computing kpt #: 73 total cpu time spent up to now is 77.5 secs Computing kpt #: 74 total cpu time spent up to now is 78.1 secs Computing kpt #: 75 total cpu time spent up to now is 78.6 secs Computing kpt #: 76 total cpu time spent up to now is 79.2 secs Computing kpt #: 77 total cpu time spent up to now is 79.7 secs Computing kpt #: 78 total cpu time spent up to now is 80.2 secs Computing kpt #: 79 total cpu time spent up to now is 80.8 secs Computing kpt #: 80 total cpu time spent up to now is 81.3 secs Computing kpt #: 81 total cpu time spent up to now is 81.9 secs Computing kpt #: 82 total cpu time spent up to now is 82.4 secs Computing kpt #: 83 total cpu time spent up to now is 82.9 secs Computing kpt #: 84 total cpu time spent up to now is 83.5 secs Computing kpt #: 85 total cpu time spent up to now is 84.0 secs Computing kpt #: 86 total cpu time spent up to now is 84.6 secs Computing kpt #: 87 total cpu time spent up to now is 85.1 secs Computing kpt #: 88 total cpu time spent up to now is 85.6 secs Computing kpt #: 89 total cpu time spent up to now is 86.2 secs Computing kpt #: 90 total cpu time spent up to now is 86.7 secs Computing kpt #: 91 total cpu time spent up to now is 87.3 secs Computing kpt #: 92 total cpu time spent up to now is 87.8 secs Computing kpt #: 93 total cpu time spent up to now is 88.4 secs Computing kpt #: 94 total cpu time spent up to now is 88.9 secs Computing kpt #: 95 total cpu time spent up to now is 89.4 secs Computing kpt #: 96 total cpu time spent up to now is 90.0 secs Computing kpt #: 97 total cpu time spent up to now is 90.5 secs Computing kpt #: 98 total cpu time spent up to now is 91.1 secs Computing kpt #: 99 total cpu time spent up to now is 91.7 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 101.9 secs Computing kpt #: 102 total cpu time spent up to now is 102.4 secs Computing kpt #: 103 total cpu time spent up to now is 103.0 secs Computing kpt #: 104 total cpu time spent up to now is 103.6 secs Computing kpt #: 105 total cpu time spent up to now is 104.1 secs Computing kpt #: 106 total cpu time spent up to now is 104.7 secs Computing kpt #: 107 total cpu time spent up to now is 105.2 secs Computing kpt #: 108 total cpu time spent up to now is 105.8 secs Computing kpt #: 109 total cpu time spent up to now is 106.4 secs Computing kpt #: 110 total cpu time spent up to now is 106.9 secs Computing kpt #: 111 total cpu time spent up to now is 107.5 secs Computing kpt #: 112 total cpu time spent up to now is 108.2 secs Computing kpt #: 113 total cpu time spent up to now is 108.9 secs Computing kpt #: 114 total cpu time spent up to now is 109.5 secs Computing kpt #: 115 total cpu time spent up to now is 110.3 secs Computing kpt #: 116 total cpu time spent up to now is 111.0 secs Computing kpt #: 117 total cpu time spent up to now is 111.8 secs Computing kpt #: 118 total cpu time spent up to now is 112.6 secs Computing kpt #: 119 total cpu time spent up to now is 113.4 secs Computing kpt #: 120 total cpu time spent up to now is 114.2 secs Computing kpt #: 121 total cpu time spent up to now is 115.0 secs Computing kpt #: 122 total cpu time spent up to now is 115.8 secs Computing kpt #: 123 total cpu time spent up to now is 116.6 secs Computing kpt #: 124 total cpu time spent up to now is 117.5 secs Computing kpt #: 125 total cpu time spent up to now is 118.4 secs Computing kpt #: 126 total cpu time spent up to now is 119.2 secs Computing kpt #: 127 total cpu time spent up to now is 120.1 secs Computing kpt #: 128 total cpu time spent up to now is 121.0 secs Computing kpt #: 129 total cpu time spent up to now is 121.9 secs Computing kpt #: 130 total cpu time spent up to now is 122.8 secs Computing kpt #: 131 total cpu time spent up to now is 123.8 secs Computing kpt #: 132 total cpu time spent up to now is 124.9 secs Computing kpt #: 133 total cpu time spent up to now is 126.3 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.1 secs Computing kpt #: 135 total cpu time spent up to now is 129.5 secs Computing kpt #: 136 total cpu time spent up to now is 130.6 secs Computing kpt #: 137 total cpu time spent up to now is 131.5 secs Computing kpt #: 138 total cpu time spent up to now is 132.6 secs Computing kpt #: 139 total cpu time spent up to now is 133.6 secs Computing kpt #: 140 total cpu time spent up to now is 134.5 secs Computing kpt #: 141 total cpu time spent up to now is 135.8 secs Computing kpt #: 142 total cpu time spent up to now is 136.8 secs Computing kpt #: 143 total cpu time spent up to now is 137.7 secs Computing kpt #: 144 total cpu time spent up to now is 138.7 secs Computing kpt #: 145 total cpu time spent up to now is 139.6 secs Computing kpt #: 146 total cpu time spent up to now is 140.5 secs Computing kpt #: 147 total cpu time spent up to now is 141.3 secs Computing kpt #: 148 total cpu time spent up to now is 142.2 secs Computing kpt #: 149 total cpu time spent up to now is 143.0 secs Computing kpt #: 150 total cpu time spent up to now is 143.8 secs Computing kpt #: 151 total cpu time spent up to now is 144.6 secs Computing kpt #: 152 total cpu time spent up to now is 145.4 secs Computing kpt #: 153 total cpu time spent up to now is 146.2 secs Computing kpt #: 154 total cpu time spent up to now is 147.0 secs Computing kpt #: 155 total cpu time spent up to now is 147.8 secs Computing kpt #: 156 total cpu time spent up to now is 148.5 secs Computing kpt #: 157 total cpu time spent up to now is 149.3 secs Computing kpt #: 158 total cpu time spent up to now is 150.0 secs Computing kpt #: 159 total cpu time spent up to now is 150.8 secs Computing kpt #: 160 total cpu time spent up to now is 151.5 secs Computing kpt #: 161 total cpu time spent up to now is 152.2 secs Computing kpt #: 162 total cpu time spent up to now is 152.8 secs Computing kpt #: 163 total cpu time spent up to now is 153.5 secs Computing kpt #: 164 total cpu time spent up to now is 154.1 secs Computing kpt #: 165 total cpu time spent up to now is 154.8 secs Computing kpt #: 166 total cpu time spent up to now is 155.4 secs Computing kpt #: 167 total cpu time spent up to now is 156.1 secs Computing kpt #: 168 total cpu time spent up to now is 156.8 secs Computing kpt #: 169 total cpu time spent up to now is 157.4 secs Computing kpt #: 170 total cpu time spent up to now is 158.0 secs Computing kpt #: 171 total cpu time spent up to now is 158.5 secs Computing kpt #: 172 total cpu time spent up to now is 159.1 secs Computing kpt #: 173 total cpu time spent up to now is 159.7 secs Computing kpt #: 174 total cpu time spent up to now is 160.2 secs Computing kpt #: 175 total cpu time spent up to now is 160.8 secs Computing kpt #: 176 total cpu time spent up to now is 161.3 secs Computing kpt #: 177 total cpu time spent up to now is 161.9 secs Computing kpt #: 178 total cpu time spent up to now is 162.4 secs Computing kpt #: 179 total cpu time spent up to now is 163.0 secs Computing kpt #: 180 total cpu time spent up to now is 163.5 secs Computing kpt #: 181 total cpu time spent up to now is 164.2 secs Computing kpt #: 182 total cpu time spent up to now is 164.7 secs Computing kpt #: 183 total cpu time spent up to now is 165.3 secs Computing kpt #: 184 total cpu time spent up to now is 165.8 secs Computing kpt #: 185 total cpu time spent up to now is 166.4 secs Computing kpt #: 186 total cpu time spent up to now is 167.0 secs Computing kpt #: 187 total cpu time spent up to now is 167.6 secs Computing kpt #: 188 total cpu time spent up to now is 168.2 secs Computing kpt #: 189 total cpu time spent up to now is 168.8 secs Computing kpt #: 190 total cpu time spent up to now is 169.3 secs Computing kpt #: 191 total cpu time spent up to now is 169.9 secs Computing kpt #: 192 total cpu time spent up to now is 170.4 secs Computing kpt #: 193 total cpu time spent up to now is 171.0 secs Computing kpt #: 194 total cpu time spent up to now is 171.6 secs Computing kpt #: 195 total cpu time spent up to now is 172.1 secs Computing kpt #: 196 total cpu time spent up to now is 172.7 secs Computing kpt #: 197 total cpu time spent up to now is 173.3 secs Computing kpt #: 198 total cpu time spent up to now is 173.9 secs Computing kpt #: 199 total cpu time spent up to now is 174.5 secs Computing kpt #: 200 total cpu time spent up to now is 175.1 secs Computing kpt #: 201 total cpu time spent up to now is 175.7 secs Computing kpt #: 202 total cpu time spent up to now is 176.3 secs Computing kpt #: 203 total cpu time spent up to now is 176.9 secs Computing kpt #: 204 total cpu time spent up to now is 177.5 secs Computing kpt #: 205 total cpu time spent up to now is 178.0 secs Computing kpt #: 206 total cpu time spent up to now is 178.6 secs Computing kpt #: 207 total cpu time spent up to now is 179.1 secs Computing kpt #: 208 total cpu time spent up to now is 179.7 secs Computing kpt #: 209 total cpu time spent up to now is 180.3 secs Computing kpt #: 210 total cpu time spent up to now is 180.8 secs Computing kpt #: 211 total cpu time spent up to now is 181.4 secs Computing kpt #: 212 total cpu time spent up to now is 182.0 secs Computing kpt #: 213 total cpu time spent up to now is 182.6 secs Computing kpt #: 214 total cpu time spent up to now is 183.1 secs Computing kpt #: 215 total cpu time spent up to now is 183.7 secs Computing kpt #: 216 total cpu time spent up to now is 184.3 secs Computing kpt #: 217 total cpu time spent up to now is 184.8 secs Computing kpt #: 218 total cpu time spent up to now is 185.4 secs Computing kpt #: 219 total cpu time spent up to now is 186.0 secs Computing kpt #: 220 total cpu time spent up to now is 186.6 secs Computing kpt #: 221 total cpu time spent up to now is 187.1 secs Computing kpt #: 222 total cpu time spent up to now is 187.7 secs Computing kpt #: 223 total cpu time spent up to now is 188.3 secs Computing kpt #: 224 total cpu time spent up to now is 188.9 secs Computing kpt #: 225 total cpu time spent up to now is 189.4 secs Computing kpt #: 226 total cpu time spent up to now is 190.0 secs Computing kpt #: 227 total cpu time spent up to now is 190.6 secs Computing kpt #: 228 total cpu time spent up to now is 191.2 secs Computing kpt #: 229 total cpu time spent up to now is 191.8 secs Computing kpt #: 230 total cpu time spent up to now is 192.4 secs Computing kpt #: 231 total cpu time spent up to now is 193.0 secs Computing kpt #: 232 total cpu time spent up to now is 193.6 secs Computing kpt #: 233 total cpu time spent up to now is 194.2 secs Computing kpt #: 234 total cpu time spent up to now is 194.9 secs Computing kpt #: 235 total cpu time spent up to now is 195.5 secs Computing kpt #: 236 total cpu time spent up to now is 196.2 secs Computing kpt #: 237 total cpu time spent up to now is 196.9 secs Computing kpt #: 238 total cpu time spent up to now is 197.7 secs Computing kpt #: 239 total cpu time spent up to now is 198.4 secs Computing kpt #: 240 total cpu time spent up to now is 199.1 secs Computing kpt #: 241 total cpu time spent up to now is 199.8 secs Computing kpt #: 242 total cpu time spent up to now is 200.5 secs Computing kpt #: 243 total cpu time spent up to now is 201.2 secs Computing kpt #: 244 total cpu time spent up to now is 202.0 secs Computing kpt #: 245 total cpu time spent up to now is 202.8 secs Computing kpt #: 246 total cpu time spent up to now is 203.6 secs Computing kpt #: 247 total cpu time spent up to now is 204.4 secs Computing kpt #: 248 total cpu time spent up to now is 205.3 secs Computing kpt #: 249 total cpu time spent up to now is 206.2 secs Computing kpt #: 250 total cpu time spent up to now is 207.0 secs Computing kpt #: 251 total cpu time spent up to now is 207.9 secs Computing kpt #: 252 total cpu time spent up to now is 208.7 secs Computing kpt #: 253 total cpu time spent up to now is 209.6 secs Computing kpt #: 254 total cpu time spent up to now is 210.5 secs Computing kpt #: 255 total cpu time spent up to now is 211.4 secs Computing kpt #: 256 total cpu time spent up to now is 212.3 secs Computing kpt #: 257 total cpu time spent up to now is 213.2 secs Computing kpt #: 258 total cpu time spent up to now is 214.0 secs Computing kpt #: 259 total cpu time spent up to now is 214.9 secs Computing kpt #: 260 total cpu time spent up to now is 215.8 secs Computing kpt #: 261 total cpu time spent up to now is 216.5 secs Computing kpt #: 262 total cpu time spent up to now is 217.4 secs Computing kpt #: 263 total cpu time spent up to now is 218.1 secs Computing kpt #: 264 total cpu time spent up to now is 219.1 secs Computing kpt #: 265 total cpu time spent up to now is 220.0 secs Computing kpt #: 266 total cpu time spent up to now is 220.8 secs Computing kpt #: 267 total cpu time spent up to now is 221.7 secs Computing kpt #: 268 total cpu time spent up to now is 222.6 secs Computing kpt #: 269 total cpu time spent up to now is 223.6 secs Computing kpt #: 270 total cpu time spent up to now is 224.5 secs Computing kpt #: 271 total cpu time spent up to now is 225.4 secs Computing kpt #: 272 total cpu time spent up to now is 226.4 secs Computing kpt #: 273 total cpu time spent up to now is 227.3 secs Computing kpt #: 274 total cpu time spent up to now is 228.2 secs Computing kpt #: 275 total cpu time spent up to now is 229.1 secs Computing kpt #: 276 total cpu time spent up to now is 230.0 secs Computing kpt #: 277 total cpu time spent up to now is 230.9 secs Computing kpt #: 278 total cpu time spent up to now is 235.2 secs Computing kpt #: 279 total cpu time spent up to now is 236.3 secs Computing kpt #: 280 total cpu time spent up to now is 237.3 secs Computing kpt #: 281 total cpu time spent up to now is 238.3 secs Computing kpt #: 282 total cpu time spent up to now is 239.9 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.6 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.3 secs Computing kpt #: 285 total cpu time spent up to now is 244.0 secs Computing kpt #: 286 total cpu time spent up to now is 244.7 secs Computing kpt #: 287 total cpu time spent up to now is 245.4 secs Computing kpt #: 288 total cpu time spent up to now is 246.2 secs Computing kpt #: 289 total cpu time spent up to now is 247.0 secs Computing kpt #: 290 total cpu time spent up to now is 247.6 secs Computing kpt #: 291 total cpu time spent up to now is 248.3 secs Computing kpt #: 292 total cpu time spent up to now is 249.1 secs Computing kpt #: 293 total cpu time spent up to now is 249.8 secs Computing kpt #: 294 total cpu time spent up to now is 250.4 secs Computing kpt #: 295 total cpu time spent up to now is 251.1 secs Computing kpt #: 296 total cpu time spent up to now is 251.6 secs Computing kpt #: 297 total cpu time spent up to now is 252.2 secs Computing kpt #: 298 total cpu time spent up to now is 252.8 secs Computing kpt #: 299 total cpu time spent up to now is 253.4 secs Computing kpt #: 300 total cpu time spent up to now is 254.2 secs Computing kpt #: 301 total cpu time spent up to now is 254.9 secs Computing kpt #: 302 total cpu time spent up to now is 255.6 secs Computing kpt #: 303 total cpu time spent up to now is 256.2 secs Computing kpt #: 304 total cpu time spent up to now is 256.8 secs Computing kpt #: 305 total cpu time spent up to now is 257.4 secs Computing kpt #: 306 total cpu time spent up to now is 258.0 secs Computing kpt #: 307 total cpu time spent up to now is 258.7 secs Computing kpt #: 308 total cpu time spent up to now is 259.4 secs Computing kpt #: 309 total cpu time spent up to now is 260.0 secs Computing kpt #: 310 total cpu time spent up to now is 260.6 secs Computing kpt #: 311 total cpu time spent up to now is 261.2 secs Computing kpt #: 312 total cpu time spent up to now is 261.8 secs Computing kpt #: 313 total cpu time spent up to now is 262.3 secs Computing kpt #: 314 total cpu time spent up to now is 262.9 secs Computing kpt #: 315 total cpu time spent up to now is 263.5 secs Computing kpt #: 316 total cpu time spent up to now is 264.1 secs Computing kpt #: 317 total cpu time spent up to now is 264.7 secs Computing kpt #: 318 total cpu time spent up to now is 265.3 secs Computing kpt #: 319 total cpu time spent up to now is 265.9 secs Computing kpt #: 320 total cpu time spent up to now is 266.5 secs Computing kpt #: 321 total cpu time spent up to now is 267.0 secs Computing kpt #: 322 total cpu time spent up to now is 267.6 secs Computing kpt #: 323 total cpu time spent up to now is 268.2 secs Computing kpt #: 324 total cpu time spent up to now is 268.8 secs Computing kpt #: 325 total cpu time spent up to now is 269.3 secs Computing kpt #: 326 total cpu time spent up to now is 269.9 secs Computing kpt #: 327 total cpu time spent up to now is 270.5 secs Computing kpt #: 328 total cpu time spent up to now is 271.1 secs Computing kpt #: 329 total cpu time spent up to now is 271.7 secs Computing kpt #: 330 total cpu time spent up to now is 272.2 secs Computing kpt #: 331 total cpu time spent up to now is 272.9 secs Computing kpt #: 332 total cpu time spent up to now is 273.5 secs Computing kpt #: 333 total cpu time spent up to now is 274.0 secs Computing kpt #: 334 total cpu time spent up to now is 274.6 secs Computing kpt #: 335 total cpu time spent up to now is 275.2 secs Computing kpt #: 336 total cpu time spent up to now is 275.8 secs Computing kpt #: 337 total cpu time spent up to now is 276.4 secs Computing kpt #: 338 total cpu time spent up to now is 276.9 secs Computing kpt #: 339 total cpu time spent up to now is 277.5 secs Computing kpt #: 340 total cpu time spent up to now is 278.1 secs Computing kpt #: 341 total cpu time spent up to now is 278.6 secs Computing kpt #: 342 total cpu time spent up to now is 279.2 secs Computing kpt #: 343 total cpu time spent up to now is 279.8 secs Computing kpt #: 344 total cpu time spent up to now is 280.3 secs Computing kpt #: 345 total cpu time spent up to now is 280.9 secs Computing kpt #: 346 total cpu time spent up to now is 281.5 secs Computing kpt #: 347 total cpu time spent up to now is 282.1 secs Computing kpt #: 348 total cpu time spent up to now is 282.6 secs Computing kpt #: 349 total cpu time spent up to now is 283.2 secs Computing kpt #: 350 total cpu time spent up to now is 283.8 secs Computing kpt #: 351 total cpu time spent up to now is 284.3 secs Computing kpt #: 352 total cpu time spent up to now is 284.9 secs Computing kpt #: 353 total cpu time spent up to now is 285.5 secs Computing kpt #: 354 total cpu time spent up to now is 286.0 secs Computing kpt #: 355 total cpu time spent up to now is 286.6 secs Computing kpt #: 356 total cpu time spent up to now is 287.1 secs Computing kpt #: 357 total cpu time spent up to now is 287.7 secs Computing kpt #: 358 total cpu time spent up to now is 288.3 secs Computing kpt #: 359 total cpu time spent up to now is 288.8 secs Computing kpt #: 360 total cpu time spent up to now is 289.4 secs Computing kpt #: 361 total cpu time spent up to now is 289.9 secs Computing kpt #: 362 total cpu time spent up to now is 290.4 secs Computing kpt #: 363 total cpu time spent up to now is 291.0 secs Computing kpt #: 364 total cpu time spent up to now is 291.5 secs Computing kpt #: 365 total cpu time spent up to now is 292.1 secs Computing kpt #: 366 total cpu time spent up to now is 292.6 secs Computing kpt #: 367 total cpu time spent up to now is 293.2 secs Computing kpt #: 368 total cpu time spent up to now is 293.8 secs Computing kpt #: 369 total cpu time spent up to now is 294.3 secs Computing kpt #: 370 total cpu time spent up to now is 294.9 secs Computing kpt #: 371 total cpu time spent up to now is 295.5 secs Computing kpt #: 372 total cpu time spent up to now is 296.1 secs Computing kpt #: 373 total cpu time spent up to now is 296.7 secs Computing kpt #: 374 total cpu time spent up to now is 297.3 secs Computing kpt #: 375 total cpu time spent up to now is 297.9 secs Computing kpt #: 376 total cpu time spent up to now is 298.6 secs Computing kpt #: 377 total cpu time spent up to now is 299.2 secs Computing kpt #: 378 total cpu time spent up to now is 299.9 secs Computing kpt #: 379 total cpu time spent up to now is 300.5 secs Computing kpt #: 380 total cpu time spent up to now is 301.2 secs Computing kpt #: 381 total cpu time spent up to now is 309.3 secs Computing kpt #: 382 total cpu time spent up to now is 310.0 secs Computing kpt #: 383 total cpu time spent up to now is 310.6 secs Computing kpt #: 384 total cpu time spent up to now is 311.3 secs Computing kpt #: 385 total cpu time spent up to now is 312.0 secs Computing kpt #: 386 total cpu time spent up to now is 312.7 secs Computing kpt #: 387 total cpu time spent up to now is 313.4 secs Computing kpt #: 388 total cpu time spent up to now is 314.1 secs Computing kpt #: 389 total cpu time spent up to now is 314.8 secs Computing kpt #: 390 total cpu time spent up to now is 315.6 secs Computing kpt #: 391 total cpu time spent up to now is 316.3 secs Computing kpt #: 392 total cpu time spent up to now is 317.0 secs Computing kpt #: 393 total cpu time spent up to now is 317.8 secs Computing kpt #: 394 total cpu time spent up to now is 318.5 secs Computing kpt #: 395 total cpu time spent up to now is 319.4 secs Computing kpt #: 396 total cpu time spent up to now is 320.2 secs Computing kpt #: 397 total cpu time spent up to now is 321.1 secs Computing kpt #: 398 total cpu time spent up to now is 321.9 secs ethr = 2.50E-11, avg # of iterations = 29.0 total cpu time spent up to now is 321.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4265 -46.4265 -24.0126 -24.0126 -21.9661 -21.9661 -21.8791 -21.8791 -19.0505 -19.0505 -8.8021 -8.8021 -8.3725 -8.3725 -8.3405 -8.3405 -2.7657 -2.7657 -2.5051 -2.5051 -2.5032 -2.5032 5.9645 5.9645 6.1623 6.1623 6.1770 6.1770 6.8049 6.8049 6.8284 6.8284 7.2312 7.2312 7.3542 7.3542 7.5387 7.5387 7.5791 7.5791 9.9717 9.9717 10.5589 10.5589 10.6378 10.6378 13.8532 13.8532 k = 0.0000 0.0125-0.0000 ( 2501 PWs) bands (ev): -46.4264 -46.4264 -24.0127 -24.0125 -21.9663 -21.9660 -21.8793 -21.8792 -19.0505 -19.0504 -8.8020 -8.8013 -8.3729 -8.3716 -8.3399 -8.3399 -2.7657 -2.7654 -2.5052 -2.5049 -2.5031 -2.5031 5.9626 5.9639 6.1611 6.1615 6.1749 6.1753 6.8014 6.8031 6.8256 6.8265 7.2297 7.2324 7.3512 7.3543 7.5337 7.5405 7.5771 7.5780 9.9766 9.9774 10.5577 10.5612 10.6359 10.6406 13.8580 13.8600 k = 0.0000 0.0250-0.0000 ( 2497 PWs) bands (ev): -46.4264 -46.4264 -24.0130 -24.0126 -21.9666 -21.9660 -21.8796 -21.8796 -19.0504 -19.0503 -8.8010 -8.7996 -8.3728 -8.3703 -8.3380 -8.3379 -2.7655 -2.7650 -2.5052 -2.5046 -2.5027 -2.5026 5.9579 5.9604 6.1563 6.1578 6.1705 6.1706 6.7911 6.7948 6.8202 6.8215 7.2281 7.2332 7.3457 7.3518 7.5253 7.5369 7.5720 7.5754 9.9921 9.9937 10.5579 10.5646 10.6352 10.6447 13.8732 13.8768 k = 0.0000 0.0375-0.0000 ( 2493 PWs) bands (ev): -46.4263 -46.4263 -24.0133 -24.0127 -21.9670 -21.9660 -21.8802 -21.8802 -19.0502 -19.0501 -8.7992 -8.7971 -8.3722 -8.3688 -8.3349 -8.3343 -2.7652 -2.7643 -2.5050 -2.5042 -2.5021 -2.5018 5.9500 5.9536 6.1453 6.1487 6.1660 6.1666 6.7725 6.7776 6.8149 6.8164 7.2261 7.2333 7.3380 7.3469 7.5120 7.5256 7.5650 7.5732 10.0176 10.0201 10.5596 10.5691 10.6357 10.6502 13.8946 13.8988 k = 0.0000 0.0500-0.0000 ( 2489 PWs) bands (ev): -46.4262 -46.4262 -24.0138 -24.0129 -21.9674 -21.9661 -21.8810 -21.8810 -19.0499 -19.0497 -8.7966 -8.7938 -8.3713 -8.3673 -8.3302 -8.3289 -2.7646 -2.7635 -2.5046 -2.5038 -2.5013 -2.5007 5.9377 5.9424 6.1288 6.1340 6.1624 6.1635 6.7469 6.7524 6.8097 6.8116 7.2235 7.2324 7.3285 7.3402 7.4927 7.5065 7.5566 7.5709 10.0526 10.0563 10.5631 10.5749 10.6381 10.6580 13.9142 13.9180 k = 0.0000 0.0625-0.0000 ( 2485 PWs) bands (ev): -46.4261 -46.4261 -24.0143 -24.0132 -21.9679 -21.9663 -21.8821 -21.8820 -19.0495 -19.0494 -8.7933 -8.7899 -8.3701 -8.3659 -8.3238 -8.3215 -2.7639 -2.7625 -2.5041 -2.5033 -2.5002 -2.4993 5.9196 5.9252 6.1087 6.1160 6.1589 6.1603 6.7164 6.7214 6.8039 6.8064 7.2200 7.2303 7.3177 7.3319 7.4676 7.4812 7.5466 7.5667 10.0962 10.1013 10.5687 10.5819 10.6431 10.6688 13.9264 13.9298 k = 0.0000 0.0750-0.0000 ( 2477 PWs) bands (ev): -46.4260 -46.4260 -24.0149 -24.0137 -21.9685 -21.9665 -21.8833 -21.8832 -19.0491 -19.0489 -8.7896 -8.7855 -8.3689 -8.3647 -8.3155 -8.3119 -2.7629 -2.7613 -2.5035 -2.5027 -2.4988 -2.4976 5.8936 5.9000 6.0874 6.0970 6.1551 6.1568 6.6829 6.6865 6.7971 6.8003 7.2153 7.2267 7.3058 7.3226 7.4374 7.4513 7.5340 7.5591 10.1476 10.1545 10.5759 10.5901 10.6520 10.6838 13.9329 13.9364 k = 0.0000 0.0875-0.0000 ( 2475 PWs) bands (ev): -46.4259 -46.4259 -24.0156 -24.0142 -21.9692 -21.9669 -21.8848 -21.8846 -19.0486 -19.0483 -8.7855 -8.7808 -8.3676 -8.3636 -8.3050 -8.3000 -2.7618 -2.7600 -2.5027 -2.5020 -2.4972 -2.4957 5.8576 5.8648 6.0669 6.0791 6.1506 6.1527 6.6478 6.6495 6.7892 6.7930 7.2093 7.2213 7.2927 7.3121 7.4034 7.4179 7.5182 7.5475 10.2055 10.2149 10.5839 10.5993 10.6664 10.7042 13.9363 13.9403 k = 0.0000 0.1000-0.0000 ( 2469 PWs) bands (ev): -46.4258 -46.4258 -24.0163 -24.0148 -21.9700 -21.9674 -21.8864 -21.8862 -19.0480 -19.0477 -8.7813 -8.7760 -8.3664 -8.3626 -8.2923 -8.2859 -2.7606 -2.7585 -2.5019 -2.5012 -2.4954 -2.4935 5.8102 5.8184 6.0486 6.0635 6.1455 6.1481 6.6114 6.6123 6.7798 6.7843 7.2018 7.2140 7.2786 7.3004 7.3667 7.3822 7.4990 7.5317 10.2685 10.2816 10.5917 10.6096 10.6880 10.7309 13.9382 13.9428 k = 0.0000 0.1125-0.0000 ( 2465 PWs) bands (ev): -46.4257 -46.4257 -24.0172 -24.0154 -21.9709 -21.9679 -21.8882 -21.8879 -19.0473 -19.0470 -8.7770 -8.7712 -8.3652 -8.3617 -8.2772 -8.2694 -2.7591 -2.7568 -2.5010 -2.5004 -2.4933 -2.4911 5.7516 5.7609 6.0328 6.0504 6.1396 6.1427 6.5734 6.5772 6.7688 6.7740 7.1926 7.2045 7.2631 7.2872 7.3284 7.3453 7.4768 7.5121 10.3349 10.3534 10.5991 10.6220 10.7178 10.7645 13.9394 13.9446 k = 0.0000 0.1250-0.0000 ( 2467 PWs) bands (ev): -46.4256 -46.4256 -24.0181 -24.0162 -21.9720 -21.9686 -21.8901 -21.8896 -19.0466 -19.0463 -8.7728 -8.7666 -8.3640 -8.3609 -8.2596 -8.2506 -2.7576 -2.7550 -2.5000 -2.4994 -2.4910 -2.4885 5.6828 5.6933 6.0190 6.0393 6.1329 6.1367 6.5361 6.5430 6.7560 6.7619 7.1818 7.1928 7.2459 7.2718 7.2894 7.3081 7.4524 7.4896 10.4016 10.4290 10.6067 10.6385 10.7558 10.8051 13.9401 13.9459 k = 0.0000 0.1375-0.0000 ( 2471 PWs) bands (ev): -46.4256 -46.4256 -24.0191 -24.0171 -21.9731 -21.9695 -21.8921 -21.8915 -19.0458 -19.0455 -8.7688 -8.7623 -8.3629 -8.3600 -8.2396 -8.2294 -2.7559 -2.7531 -2.4990 -2.4984 -2.4884 -2.4857 5.6049 5.6167 6.0064 6.0295 6.1253 6.1300 6.4999 6.5101 6.7412 6.7478 7.1693 7.1784 7.2264 7.2505 7.2534 7.2718 7.4275 7.4654 10.4639 10.5052 10.6170 10.6633 10.8017 10.8527 13.9404 13.9469 k = 0.0000 0.1500-0.0000 ( 2471 PWs) bands (ev): -46.4255 -46.4255 -24.0201 -24.0180 -21.9744 -21.9704 -21.8941 -21.8935 -19.0450 -19.0447 -8.7652 -8.7584 -8.3618 -8.3592 -8.2171 -8.2059 -2.7540 -2.7511 -2.4978 -2.4973 -2.4857 -2.4827 5.5194 5.5323 5.9946 6.0205 6.1168 6.1224 6.4651 6.4787 6.7242 6.7314 7.1550 7.1609 7.2046 7.2128 7.2309 7.2372 7.4035 7.4408 10.5145 10.5691 10.6428 10.7032 10.8550 10.9068 13.9406 13.9477 k = 0.0000 0.1625-0.0000 ( 2471 PWs) bands (ev): -46.4255 -46.4255 -24.0212 -24.0190 -21.9758 -21.9715 -21.8962 -21.8954 -19.0441 -19.0438 -8.7621 -8.7550 -8.3608 -8.3584 -8.1921 -8.1802 -2.7521 -2.7490 -2.4966 -2.4961 -2.4827 -2.4795 5.4274 5.4414 5.9829 6.0118 6.1073 6.1142 6.4320 6.4489 6.7048 6.7126 7.1384 7.1395 7.1768 7.1806 7.2042 7.2048 7.3820 7.4174 10.5490 10.5971 10.7071 10.7618 10.9150 10.9671 13.9406 13.9484 k = 0.0000 0.1750-0.0000 ( 2471 PWs) bands (ev): -46.4254 -46.4254 -24.0224 -24.0200 -21.9774 -21.9727 -21.8983 -21.8974 -19.0432 -19.0428 -8.7594 -8.7522 -8.3597 -8.3576 -8.1649 -8.1522 -2.7500 -2.7469 -2.4954 -2.4949 -2.4796 -2.4762 5.3302 5.3450 5.9710 6.0032 6.0968 6.1051 6.4005 6.4207 6.6831 6.6912 7.1136 7.1185 7.1434 7.1549 7.1744 7.1754 7.3637 7.3960 10.5708 10.6074 10.7911 10.8354 10.9809 11.0328 13.9405 13.9489 k = 0.0000 0.1875-0.0000 ( 2471 PWs) bands (ev): -46.4253 -46.4253 -24.0236 -24.0211 -21.9791 -21.9742 -21.9004 -21.8993 -19.0422 -19.0419 -8.7572 -8.7500 -8.3587 -8.3567 -8.1355 -8.1222 -2.7479 -2.7446 -2.4941 -2.4937 -2.4763 -2.4727 5.2286 5.2442 5.9588 5.9941 6.0851 6.0952 6.3710 6.3943 6.6590 6.6674 7.0829 7.0922 7.1138 7.1274 7.1444 7.1501 7.3486 7.3772 10.5852 10.6137 10.8807 10.9180 11.0522 11.1035 13.9402 13.9492 k = 0.0000 0.2000-0.0000 ( 2467 PWs) bands (ev): -46.4252 -46.4252 -24.0248 -24.0222 -21.9809 -21.9757 -21.9025 -21.9012 -19.0412 -19.0409 -8.7556 -8.7484 -8.3577 -8.3559 -8.1041 -8.0904 -2.7457 -2.7423 -2.4927 -2.4923 -2.4728 -2.4691 5.1236 5.1398 5.9458 5.9845 6.0724 6.0845 6.3434 6.3696 6.6326 6.6412 7.0474 7.0580 7.0877 7.0999 7.1178 7.1278 7.3361 7.3611 10.5958 10.6188 10.9727 11.0057 11.1280 11.1783 13.9398 13.9495 k = 0.0000 0.2125-0.0000 ( 2469 PWs) bands (ev): -46.4251 -46.4251 -24.0260 -24.0234 -21.9828 -21.9775 -21.9044 -21.9031 -19.0402 -19.0398 -8.7544 -8.7474 -8.3566 -8.3550 -8.0708 -8.0568 -2.7434 -2.7400 -2.4914 -2.4910 -2.4692 -2.4654 5.0162 5.0328 5.9321 5.9739 6.0589 6.0731 6.3180 6.3468 6.6044 6.6131 7.0076 7.0178 7.0639 7.0748 7.0950 7.1071 7.3257 7.3473 10.6042 10.6235 11.0659 11.0963 11.2076 11.2568 13.9393 13.9496 k = 0.0000 0.2250-0.0000 ( 2467 PWs) bands (ev): -46.4250 -46.4250 -24.0273 -24.0246 -21.9849 -21.9793 -21.9063 -21.9048 -19.0392 -19.0388 -8.7538 -8.7469 -8.3556 -8.3541 -8.0360 -8.0218 -2.7411 -2.7377 -2.4899 -2.4896 -2.4655 -2.4616 4.9070 4.9239 5.9174 5.9620 6.0447 6.0610 6.2947 6.3259 6.5747 6.5833 6.9646 6.9741 7.0425 7.0526 7.0745 7.0872 7.3167 7.3356 10.6114 10.6279 11.1596 11.1883 11.2903 11.3381 13.9387 13.9496 k = 0.0000 0.2375-0.0000 ( 2461 PWs) bands (ev): -46.4248 -46.4248 -24.0286 -24.0259 -21.9871 -21.9814 -21.9081 -21.9065 -19.0381 -19.0377 -8.7536 -8.7469 -8.3546 -8.3532 -7.9998 -7.9855 -2.7388 -2.7353 -2.4885 -2.4882 -2.4618 -2.4578 4.7970 4.8140 5.9017 5.9484 6.0303 6.0484 6.2737 6.3069 6.5439 6.5525 6.9198 6.9287 7.0239 7.0334 7.0551 7.0676 7.3089 7.3254 10.6179 10.6322 11.2533 11.2809 11.3754 11.4217 13.9380 13.9495 k = 0.0000 0.2500-0.0000 ( 2453 PWs) bands (ev): -46.4246 -46.4246 -24.0298 -24.0271 -21.9894 -21.9836 -21.9097 -21.9080 -19.0371 -19.0367 -8.7538 -8.7473 -8.3536 -8.3524 -7.9624 -7.9481 -2.7364 -2.7330 -2.4870 -2.4867 -2.4579 -2.4539 4.6867 4.7037 5.8851 5.9329 6.0161 6.0354 6.2548 6.2897 6.5127 6.5212 6.8742 6.8828 7.0076 7.0165 7.0362 7.0483 7.3020 7.3164 10.6239 10.6364 11.3467 11.3734 11.4621 11.5069 13.9372 13.9492 k = 0.0000 0.2625-0.0000 ( 2453 PWs) bands (ev): -46.4245 -46.4245 -24.0311 -24.0284 -21.9917 -21.9859 -21.9112 -21.9095 -19.0360 -19.0356 -8.7543 -8.7481 -8.3526 -8.3515 -7.9243 -7.9101 -2.7341 -2.7307 -2.4856 -2.4853 -2.4541 -2.4500 4.5770 4.5939 5.8674 5.9154 6.0024 6.0220 6.2379 6.2744 6.4814 6.4899 6.8286 6.8373 6.9934 7.0019 7.0178 7.0294 7.2957 7.3084 10.6294 10.6406 11.4392 11.4652 11.5496 11.5930 13.9362 13.9487 k = 0.0000 0.2750-0.0000 ( 2451 PWs) bands (ev): -46.4244 -46.4244 -24.0324 -24.0297 -21.9942 -21.9883 -21.9126 -21.9108 -19.0350 -19.0346 -8.7552 -8.7493 -8.3517 -8.3506 -7.8855 -7.8715 -2.7318 -2.7284 -2.4842 -2.4839 -2.4502 -2.4462 4.4684 4.4851 5.8490 5.8959 5.9893 6.0085 6.2229 6.2607 6.4505 6.4592 6.7835 6.7925 6.9811 6.9890 6.9998 7.0108 7.2899 7.3012 10.6347 10.6446 11.5306 11.5558 11.6374 11.6794 13.9350 13.9481 k = 0.0000 0.2875-0.0000 ( 2453 PWs) bands (ev): -46.4243 -46.4243 -24.0336 -24.0310 -21.9966 -21.9909 -21.9139 -21.9121 -19.0339 -19.0335 -8.7563 -8.7507 -8.3507 -8.3498 -7.8465 -7.8328 -2.7295 -2.7262 -2.4828 -2.4825 -2.4463 -2.4424 4.3617 4.3781 5.8299 5.8749 5.9769 5.9949 6.2095 6.2485 6.4206 6.4294 6.7394 6.7489 6.9701 6.9776 6.9824 6.9927 7.2846 7.2947 10.6397 10.6486 11.6204 11.6448 11.7248 11.7655 13.9338 13.9473 k = 0.0000 0.3000-0.0000 ( 2461 PWs) bands (ev): -46.4244 -46.4244 -24.0348 -24.0323 -21.9991 -21.9935 -21.9150 -21.9132 -19.0329 -19.0325 -8.7577 -8.7524 -8.3498 -8.3489 -7.8076 -7.7942 -2.7273 -2.7240 -2.4814 -2.4811 -2.4426 -2.4387 4.2574 4.2734 5.8104 5.8528 5.9650 5.9813 6.1975 6.2378 6.3918 6.4011 6.6966 6.7068 6.9597 6.9663 6.9672 6.9755 7.2797 7.2887 10.6445 10.6525 11.7082 11.7316 11.8112 11.8507 13.9324 13.9463 k = 0.0000 0.3125-0.0000 ( 2461 PWs) bands (ev): -46.4243 -46.4243 -24.0360 -24.0335 -22.0016 -21.9961 -21.9160 -21.9142 -19.0319 -19.0316 -8.7591 -8.7542 -8.3489 -8.3481 -7.7689 -7.7559 -2.7251 -2.7219 -2.4800 -2.4798 -2.4388 -2.4350 4.1562 4.1717 5.7906 5.8301 5.9534 5.9678 6.1868 6.2283 6.3646 6.3745 6.6554 6.6664 6.9466 6.9546 6.9551 6.9616 7.2752 7.2833 10.6491 10.6564 11.7937 11.8159 11.8960 11.9345 13.9309 13.9451 k = 0.0000 0.3250-0.0000 ( 2463 PWs) bands (ev): -46.4242 -46.4242 -24.0371 -24.0348 -22.0040 -21.9987 -21.9168 -21.9151 -19.0310 -19.0306 -8.7607 -8.7561 -8.3481 -8.3473 -7.7309 -7.7184 -2.7230 -2.7199 -2.4787 -2.4785 -2.4352 -2.4315 4.0586 4.0735 5.7710 5.8073 5.9421 5.9545 6.1773 6.2199 6.3393 6.3498 6.6159 6.6277 6.9312 6.9397 6.9468 6.9527 7.2710 7.2783 10.6535 10.6600 11.8763 11.8972 11.9788 12.0162 13.9293 13.9437 k = 0.0000 0.3375-0.0000 ( 2464 PWs) bands (ev): -46.4242 -46.4242 -24.0382 -24.0359 -22.0064 -22.0013 -21.9176 -21.9160 -19.0300 -19.0297 -8.7624 -8.7581 -8.3472 -8.3466 -7.6938 -7.6818 -2.7209 -2.7180 -2.4774 -2.4772 -2.4316 -2.4281 3.9652 3.9794 5.7516 5.7848 5.9310 5.9414 6.1688 6.2124 6.3160 6.3273 6.5784 6.5910 6.9161 6.9241 6.9403 6.9457 7.2671 7.2736 10.6577 10.6635 11.9557 11.9751 12.0590 12.0953 13.9275 13.9421 k = 0.0000 0.3500-0.0000 ( 2462 PWs) bands (ev): -46.4240 -46.4240 -24.0392 -24.0371 -22.0087 -22.0038 -21.9182 -21.9167 -19.0292 -19.0288 -8.7641 -8.7602 -8.3465 -8.3459 -7.6579 -7.6466 -2.7190 -2.7162 -2.4762 -2.4760 -2.4282 -2.4248 3.8765 3.8899 5.7329 5.7629 5.9200 5.9285 6.1613 6.2057 6.2950 6.3072 6.5429 6.5562 6.9017 6.9091 6.9347 6.9396 7.2635 7.2694 10.6616 10.6669 12.0314 12.0493 12.1361 12.1713 13.9257 13.9403 k = 0.0000 0.3625-0.0000 ( 2466 PWs) bands (ev): -46.4240 -46.4240 -24.0402 -24.0382 -22.0109 -22.0063 -21.9188 -21.9174 -19.0283 -19.0280 -8.7658 -8.7622 -8.3457 -8.3452 -7.6235 -7.6129 -2.7171 -2.7146 -2.4751 -2.4749 -2.4250 -2.4218 3.7929 3.8055 5.7149 5.7419 5.9092 5.9161 6.1546 6.1994 6.2766 6.2895 6.5095 6.5235 6.8882 6.8949 6.9298 6.9342 7.2602 7.2655 10.6653 10.6701 12.1030 12.1192 12.2096 12.2435 13.9238 13.9383 k = 0.0000 0.3750-0.0000 ( 2462 PWs) bands (ev): -46.4239 -46.4239 -24.0411 -24.0392 -22.0129 -22.0087 -21.9193 -21.9180 -19.0276 -19.0273 -8.7675 -8.7642 -8.3450 -8.3445 -7.5909 -7.5811 -2.7154 -2.7130 -2.4740 -2.4739 -2.4219 -2.4189 3.7150 3.7267 5.6979 5.7220 5.8987 5.9041 6.1488 6.1932 6.2610 6.2741 6.4782 6.4928 6.8756 6.8817 6.9255 6.9295 7.2573 7.2619 10.6688 10.6730 12.1700 12.1846 12.2792 12.3116 13.9219 13.9361 k = 0.0000 0.3875-0.0000 ( 2458 PWs) bands (ev): -46.4238 -46.4238 -24.0419 -24.0402 -22.0148 -22.0109 -21.9197 -21.9185 -19.0268 -19.0266 -8.7690 -8.7661 -8.3444 -8.3440 -7.5605 -7.5514 -2.7138 -2.7116 -2.4730 -2.4729 -2.4190 -2.4163 3.6432 3.6539 5.6822 5.7034 5.8885 5.8928 6.1437 6.1870 6.2485 6.2613 6.4492 6.4642 6.8639 6.8695 6.9218 6.9253 7.2546 7.2587 10.6720 10.6758 12.2320 12.2450 12.3444 12.3750 13.9200 13.9337 k = 0.0000 0.4000-0.0000 ( 2462 PWs) bands (ev): -46.4238 -46.4238 -24.0426 -24.0411 -22.0165 -22.0130 -21.9200 -21.9189 -19.0262 -19.0259 -8.7705 -8.7679 -8.3438 -8.3434 -7.5323 -7.5241 -2.7123 -2.7103 -2.4721 -2.4720 -2.4164 -2.4139 3.5778 3.5875 5.6678 5.6863 5.8790 5.8822 6.1395 6.1802 6.2392 6.2507 6.4226 6.4378 6.8534 6.8583 6.9186 6.9217 7.2522 7.2558 10.6750 10.6782 12.2887 12.3000 12.4045 12.4331 13.9181 13.9312 k = 0.0000 0.4125-0.0000 ( 2458 PWs) bands (ev): -46.4237 -46.4237 -24.0433 -24.0419 -22.0180 -22.0149 -21.9203 -21.9193 -19.0256 -19.0254 -8.7718 -8.7696 -8.3433 -8.3429 -7.5068 -7.4995 -2.7110 -2.7092 -2.4712 -2.4712 -2.4140 -2.4118 3.5193 3.5279 5.6548 5.6708 5.8700 5.8724 6.1360 6.1731 6.2330 6.2425 6.3983 6.4135 6.8440 6.8483 6.9158 6.9186 7.2501 7.2532 10.6776 10.6804 12.3397 12.3494 12.4593 12.4854 13.9165 13.9286 k = 0.0000 0.4250-0.0000 ( 2454 PWs) bands (ev): -46.4236 -46.4236 -24.0438 -24.0426 -22.0193 -22.0166 -21.9205 -21.9196 -19.0250 -19.0249 -8.7730 -8.7711 -8.3428 -8.3425 -7.4840 -7.4777 -2.7098 -2.7082 -2.4705 -2.4704 -2.4119 -2.4100 3.4680 3.4755 5.6435 5.6570 5.8620 5.8637 6.1333 6.1658 6.2295 6.2363 6.3766 6.3915 6.8358 6.8395 6.9135 6.9159 7.2483 7.2510 10.6800 10.6824 12.3846 12.3928 12.5083 12.5316 13.9150 13.9260 k = 0.0000 0.4375-0.0000 ( 2450 PWs) bands (ev): -46.4235 -46.4235 -24.0443 -24.0432 -22.0204 -22.0181 -21.9206 -21.9199 -19.0246 -19.0244 -8.7740 -8.7724 -8.3424 -8.3422 -7.4644 -7.4590 -2.7087 -2.7074 -2.4699 -2.4698 -2.4100 -2.4084 3.4242 3.4305 5.6340 5.6451 5.8549 5.8561 6.1313 6.1588 6.2280 6.2322 6.3576 6.3717 6.8288 6.8319 6.9117 6.9136 7.2469 7.2490 10.6820 10.6840 12.4232 12.4299 12.5510 12.5711 13.9137 13.9234 k = 0.0000 0.4500-0.0000 ( 2446 PWs) bands (ev): -46.4234 -46.4234 -24.0446 -24.0438 -22.0213 -22.0194 -21.9208 -21.9202 -19.0242 -19.0241 -8.7749 -8.7736 -8.3421 -8.3419 -7.4479 -7.4436 -2.7078 -2.7068 -2.4694 -2.4693 -2.4084 -2.4071 3.3881 3.3932 5.6262 5.6350 5.8488 5.8497 6.1302 6.1522 6.2280 6.2298 6.3415 6.3543 6.8231 6.8256 6.9102 6.9117 7.2457 7.2474 10.6838 10.6853 12.4552 12.4605 12.5870 12.6036 13.9128 13.9209 k = 0.0000 0.4625-0.0000 ( 2450 PWs) bands (ev): -46.4234 -46.4234 -24.0449 -24.0443 -22.0219 -22.0205 -21.9208 -21.9204 -19.0239 -19.0238 -8.7755 -8.7745 -8.3418 -8.3417 -7.4348 -7.4315 -2.7071 -2.7063 -2.4690 -2.4689 -2.4072 -2.4062 3.3600 3.3638 5.6204 5.6269 5.8441 5.8446 6.1299 6.1464 6.2289 6.2290 6.3287 6.3395 6.8187 6.8206 6.9091 6.9103 7.2448 7.2461 10.6852 10.6863 12.4805 12.4844 12.6159 12.6287 13.9122 13.9185 k = 0.0000 0.4750-0.0000 ( 2458 PWs) bands (ev): -46.4235 -46.4235 -24.0450 -24.0446 -22.0223 -22.0214 -21.9209 -21.9206 -19.0237 -19.0237 -8.7759 -8.7752 -8.3416 -8.3415 -7.4252 -7.4230 -2.7066 -2.7060 -2.4687 -2.4687 -2.4062 -2.4056 3.3399 3.3425 5.6164 5.6208 5.8406 5.8409 6.1304 6.1414 6.2292 6.2300 6.3197 6.3277 6.8156 6.8169 6.9084 6.9092 7.2442 7.2451 10.6862 10.6870 12.4988 12.5014 12.6375 12.6461 13.9121 13.9164 k = 0.0000 0.4875-0.0000 ( 2464 PWs) bands (ev): -46.4236 -46.4236 -24.0451 -24.0449 -22.0224 -22.0220 -21.9209 -21.9207 -19.0236 -19.0236 -8.7761 -8.7757 -8.3415 -8.3414 -7.4192 -7.4181 -2.7062 -2.7059 -2.4685 -2.4685 -2.4056 -2.4053 3.3281 3.3294 5.6145 5.6167 5.8385 5.8387 6.1318 6.1373 6.2299 6.2307 6.3150 6.3193 6.8139 6.8145 6.9081 6.9084 7.2440 7.2444 10.6869 10.6873 12.5101 12.5114 12.6514 12.6558 13.9125 13.9147 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4236 -46.4236 -24.0450 -24.0450 -22.0223 -22.0223 -21.9208 -21.9208 -19.0235 -19.0235 -8.7760 -8.7760 -8.3414 -8.3414 -7.4168 -7.4168 -2.7060 -2.7060 -2.4684 -2.4684 -2.4053 -2.4053 3.3246 3.3246 5.6146 5.6146 5.8379 5.8379 6.1341 6.1341 6.2306 6.2306 6.3149 6.3149 6.8135 6.8135 6.9081 6.9081 7.2441 7.2441 10.6873 10.6873 12.5143 12.5143 12.6576 12.6576 13.9134 13.9134 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4236 -46.4236 -24.0450 -24.0450 -22.0223 -22.0223 -21.9208 -21.9208 -19.0235 -19.0235 -8.7760 -8.7760 -8.3414 -8.3414 -7.4168 -7.4168 -2.7060 -2.7060 -2.4684 -2.4684 -2.4053 -2.4053 3.3246 3.3246 5.6146 5.6146 5.8379 5.8379 6.1341 6.1341 6.2306 6.2306 6.3149 6.3149 6.8135 6.8135 6.9081 6.9081 7.2441 7.2441 10.6873 10.6873 12.5143 12.5143 12.6576 12.6576 13.9134 13.9134 k = 0.0125 0.5000-0.0000 ( 2462 PWs) bands (ev): -46.4236 -46.4236 -24.0452 -24.0450 -22.0224 -22.0223 -21.9211 -21.9208 -19.0235 -19.0235 -8.7759 -8.7745 -8.3417 -8.3397 -7.4169 -7.4168 -2.7068 -2.7052 -2.4694 -2.4675 -2.4057 -2.4053 3.3245 3.3246 5.6118 5.6153 5.8230 5.8297 6.1281 6.1371 6.2238 6.2346 6.3212 6.3247 6.8175 6.8184 6.8894 6.9067 7.2414 7.2593 10.6843 10.6918 12.5130 12.5172 12.6558 12.6597 13.9170 13.9194 k = 0.0250 0.5000-0.0000 ( 2462 PWs) bands (ev): -46.4236 -46.4236 -24.0454 -24.0450 -22.0224 -22.0223 -21.9218 -21.9210 -19.0235 -19.0235 -8.7741 -8.7714 -8.3406 -8.3365 -7.4171 -7.4170 -2.7077 -2.7046 -2.4704 -2.4665 -2.4065 -2.4056 3.3243 3.3245 5.6061 5.6139 5.7884 5.8016 6.1191 6.1362 6.2147 6.2350 6.3413 6.3477 6.8304 6.8322 6.8556 6.8857 7.2512 7.2827 10.6830 10.6981 12.5133 12.5218 12.6543 12.6622 13.9301 13.9350 k = 0.0375 0.5000-0.0000 ( 2466 PWs) bands (ev): -46.4236 -46.4236 -24.0458 -24.0451 -22.0223 -22.0222 -21.9228 -21.9217 -19.0234 -19.0234 -8.7707 -8.7666 -8.3380 -8.3318 -7.4175 -7.4174 -2.7087 -2.7042 -2.4715 -2.4656 -2.4076 -2.4063 3.3240 3.3244 5.5958 5.6093 5.7412 5.7613 6.1069 6.1302 6.2037 6.2309 6.3695 6.3779 6.8123 6.8483 6.8530 6.8573 7.2685 7.3089 10.6840 10.7062 12.5150 12.5281 12.6532 12.6653 13.9522 13.9593 k = 0.0500 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4236 -46.4236 -24.0462 -24.0454 -22.0223 -22.0221 -21.9242 -21.9226 -19.0233 -19.0233 -8.7657 -8.7603 -8.3339 -8.3257 -7.4181 -7.4179 -2.7098 -2.7038 -2.4725 -2.4647 -2.4091 -2.4074 3.3236 3.3241 5.5764 5.5971 5.6909 5.7189 6.0910 6.1175 6.1911 6.2211 6.4003 6.4098 6.7658 6.8070 6.8847 6.8878 7.2882 7.3342 10.6879 10.7169 12.5183 12.5362 12.6522 12.6690 13.9823 13.9915 k = 0.0625 0.5000-0.0000 ( 2480 PWs) bands (ev): -46.4237 -46.4237 -24.0467 -24.0457 -22.0222 -22.0220 -21.9258 -21.9239 -19.0232 -19.0232 -8.7594 -8.7527 -8.3282 -8.3179 -7.4187 -7.4185 -2.7109 -2.7036 -2.4735 -2.4639 -2.4110 -2.4088 3.3232 3.3237 5.5417 5.5649 5.6539 5.6846 6.0708 6.0965 6.1771 6.2046 6.4300 6.4400 6.7201 6.7617 6.9255 6.9288 7.3063 7.3559 10.6955 10.7308 12.5228 12.5460 12.6515 12.6733 14.0192 14.0302 k = 0.0750 0.5000-0.0000 ( 2480 PWs) bands (ev): -46.4237 -46.4237 -24.0472 -24.0460 -22.0221 -22.0218 -21.9277 -21.9254 -19.0230 -19.0230 -8.7518 -8.7437 -8.3208 -8.3085 -7.4196 -7.4193 -2.7122 -2.7035 -2.4745 -2.4631 -2.4131 -2.4106 3.3226 3.3233 5.4902 5.5083 5.6368 5.6625 6.0447 6.0657 6.1618 6.1810 6.4568 6.4669 6.6790 6.7180 6.9745 6.9778 7.3208 7.3727 10.7076 10.7487 12.5286 12.5578 12.6511 12.6786 14.0616 14.0743 k = 0.0875 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4235 -46.4235 -24.0479 -24.0465 -22.0220 -22.0217 -21.9298 -21.9272 -19.0228 -19.0228 -8.7431 -8.7337 -8.3116 -8.2974 -7.4205 -7.4202 -2.7135 -2.7035 -2.4755 -2.4623 -2.4156 -2.4126 3.3219 3.3228 5.4273 5.4402 5.6285 5.6490 6.0098 6.0236 6.1451 6.1517 6.4802 6.4902 6.6450 6.6791 7.0302 7.0334 7.3305 7.3838 10.7251 10.7714 12.5355 12.5715 12.6508 12.6849 14.1079 14.1220 k = 0.1000 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4235 -46.4235 -24.0486 -24.0470 -22.0219 -22.0215 -21.9323 -21.9293 -19.0226 -19.0226 -8.7335 -8.7228 -8.3006 -8.2845 -7.4216 -7.4212 -2.7149 -2.7037 -2.4764 -2.4616 -2.4183 -2.4149 3.3212 3.3221 5.3584 5.3678 5.6228 5.6396 5.9627 5.9697 6.1202 6.1271 6.5005 6.5102 6.6192 6.6467 7.0910 7.0940 7.3349 7.3890 10.7484 10.7992 12.5432 12.5872 12.6506 12.6925 14.1566 14.1719 k = 0.1125 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4233 -46.4233 -24.0494 -24.0477 -22.0218 -22.0213 -21.9350 -21.9317 -19.0223 -19.0223 -8.7231 -8.7112 -8.2876 -8.2697 -7.4228 -7.4223 -2.7163 -2.7040 -2.4773 -2.4610 -2.4213 -2.4175 3.3203 3.3214 5.2867 5.2938 5.6177 5.6322 5.9013 5.9042 6.0896 6.1078 6.5183 6.5278 6.6012 6.6215 7.1555 7.1582 7.3339 7.3883 10.7780 10.8328 12.5516 12.6049 12.6506 12.7017 14.2063 14.2227 k = 0.1250 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4232 -46.4232 -24.0502 -24.0483 -22.0216 -22.0211 -21.9379 -21.9343 -19.0220 -19.0220 -8.7122 -8.6991 -8.2725 -8.2529 -7.4241 -7.4236 -2.7178 -2.7045 -2.4782 -2.4605 -2.4245 -2.4203 3.3194 3.3206 5.2137 5.2192 5.6127 5.6256 5.8263 5.8279 6.0611 6.0872 6.5341 6.5434 6.5899 6.6033 7.2223 7.2247 7.3278 7.3819 10.8143 10.8724 12.5604 12.6248 12.6508 12.7129 14.2556 14.2730 k = 0.1375 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4232 -46.4232 -24.0511 -24.0491 -22.0215 -22.0209 -21.9410 -21.9372 -19.0217 -19.0217 -8.7009 -8.6869 -8.2552 -8.2340 -7.4255 -7.4249 -2.7193 -2.7051 -2.4791 -2.4601 -2.4278 -2.4233 3.3183 3.3196 5.1405 5.1449 5.6073 5.6192 5.7403 5.7425 6.0343 6.0654 6.5481 6.5576 6.5838 6.5913 7.2902 7.2924 7.3170 7.3705 10.8571 10.9180 12.5692 12.6466 12.6512 12.7262 14.3036 14.3217 k = 0.1500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4232 -46.4232 -24.0521 -24.0500 -22.0213 -22.0207 -21.9443 -21.9402 -19.0214 -19.0214 -8.6895 -8.6746 -8.2356 -8.2131 -7.4270 -7.4263 -2.7209 -2.7060 -2.4800 -2.4599 -2.4311 -2.4264 3.3171 3.3186 5.0676 5.0712 5.5995 5.6119 5.6477 5.6504 6.0084 6.0425 6.5601 6.5706 6.5819 6.5853 7.3021 7.3542 7.3589 7.3605 10.9063 10.9694 12.5777 12.6514 12.6710 12.7421 14.3492 14.3681 k = 0.1625 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4231 -46.4231 -24.0531 -24.0508 -22.0212 -22.0205 -21.9478 -21.9434 -19.0211 -19.0211 -8.6780 -8.6625 -8.2138 -8.1901 -7.4286 -7.4278 -2.7226 -2.7070 -2.4808 -2.4600 -2.4344 -2.4296 3.3158 3.3174 4.9955 4.9985 5.5393 5.5483 5.6009 5.6083 5.9829 6.0184 6.5681 6.5796 6.5863 6.5865 7.2839 7.3348 7.4265 7.4283 10.9616 11.0265 12.5858 12.6519 12.6973 12.7607 14.3919 14.4115 k = 0.1750 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4231 -46.4231 -24.0542 -24.0518 -22.0210 -22.0202 -21.9514 -21.9468 -19.0207 -19.0207 -8.6667 -8.6507 -8.1897 -8.1650 -7.4302 -7.4294 -2.7243 -2.7081 -2.4817 -2.4605 -2.4374 -2.4328 3.3143 3.3161 4.9246 4.9271 5.4346 5.4446 5.5933 5.6013 5.9572 5.9934 6.5715 6.5834 6.5948 6.5976 7.2629 7.3122 7.4935 7.4951 11.0226 11.0888 12.5933 12.6524 12.7259 12.7823 14.4311 14.4516 k = 0.1875 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4230 -46.4230 -24.0552 -24.0528 -22.0208 -22.0200 -21.9551 -21.9503 -19.0204 -19.0204 -8.6557 -8.6394 -8.1633 -8.1379 -7.4319 -7.4310 -2.7260 -2.7094 -2.4826 -2.4616 -2.4400 -2.4360 3.3127 3.3146 4.8551 4.8572 5.3251 5.3368 5.5869 5.5946 5.9314 5.9674 6.5741 6.5877 6.6059 6.6096 7.2400 7.2872 7.5591 7.5606 11.0887 11.1558 12.6000 12.6531 12.7566 12.8068 14.4668 14.4880 k = 0.2000 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4229 -46.4229 -24.0564 -24.0538 -22.0206 -22.0197 -21.9590 -21.9540 -19.0200 -19.0200 -8.6451 -8.6287 -8.1349 -8.1090 -7.4336 -7.4327 -2.7278 -2.7109 -2.4835 -2.4633 -2.4421 -2.4391 3.3109 3.3130 4.7872 4.7890 5.2129 5.2262 5.5805 5.5878 5.9052 5.9406 6.5775 6.5930 6.6178 6.6217 7.2157 7.2605 7.6229 7.6243 11.1593 11.2270 12.6061 12.6538 12.7895 12.8342 14.4988 14.5207 k = 0.2125 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4227 -46.4227 -24.0575 -24.0549 -22.0204 -22.0195 -21.9628 -21.9577 -19.0196 -19.0196 -8.6349 -8.6185 -8.1045 -8.0783 -7.4354 -7.4343 -2.7296 -2.7125 -2.4846 -2.4658 -2.4434 -2.4420 3.3089 3.3112 4.7210 4.7226 5.0990 5.1138 5.5739 5.5808 5.8788 5.9131 6.5820 6.5991 6.6298 6.6338 7.1906 7.2329 7.6847 7.6860 11.2337 11.3017 12.6116 12.6546 12.8244 12.8643 14.5270 14.5497 k = 0.2250 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4227 -46.4227 -24.0587 -24.0561 -22.0203 -22.0193 -21.9668 -21.9615 -19.0192 -19.0192 -8.6252 -8.6090 -8.0723 -8.0460 -7.4372 -7.4360 -2.7314 -2.7143 -2.4859 -2.4689 -2.4447 -2.4442 3.3067 3.3092 4.6569 4.6582 4.9845 5.0004 5.5671 5.5737 5.8520 5.8850 6.5873 6.6058 6.6420 6.6458 7.1652 7.2048 7.7442 7.7455 11.3114 11.3794 12.6166 12.6555 12.8613 12.8970 14.5517 14.5751 k = 0.2375 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4227 -46.4227 -24.0598 -24.0572 -22.0201 -22.0190 -21.9707 -21.9653 -19.0188 -19.0188 -8.6160 -8.6002 -8.0387 -8.0124 -7.4390 -7.4377 -2.7333 -2.7162 -2.4874 -2.4725 -2.4471 -2.4446 3.3043 3.3069 4.5947 4.5959 4.8700 4.8869 5.5601 5.5665 5.8251 5.8566 6.5934 6.6130 6.6541 6.6578 7.1399 7.1767 7.8012 7.8024 11.3917 11.4595 12.6210 12.6564 12.8999 12.9320 14.5731 14.5971 k = 0.2500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4225 -46.4225 -24.0610 -24.0584 -22.0200 -22.0188 -21.9746 -21.9692 -19.0184 -19.0184 -8.6073 -8.5920 -8.0037 -7.9777 -7.4407 -7.4393 -2.7351 -2.7181 -2.4891 -2.4764 -2.4491 -2.4446 3.3015 3.3044 4.5348 4.5358 4.7563 4.7740 5.5531 5.5591 5.7981 5.8279 6.6001 6.6206 6.6662 6.6697 7.1150 7.1488 7.8556 7.8567 11.4739 11.5413 12.6251 12.6574 12.9402 12.9691 14.5912 14.6159 k = 0.2625 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4224 -46.4224 -24.0622 -24.0595 -22.0198 -22.0186 -21.9785 -21.9730 -19.0180 -19.0180 -8.5992 -8.5843 -7.9678 -7.9422 -7.4424 -7.4409 -2.7369 -2.7202 -2.4911 -2.4804 -2.4507 -2.4444 3.2984 3.3015 4.4772 4.4781 4.6442 4.6625 5.5460 5.5517 5.7711 5.7992 6.6072 6.6284 6.6783 6.6815 7.0908 7.1217 7.9072 7.9083 11.5574 11.6242 12.6288 12.6583 12.9820 13.0080 14.6065 14.6318 k = 0.2750 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4224 -46.4224 -24.0633 -24.0607 -22.0198 -22.0184 -21.9823 -21.9767 -19.0176 -19.0176 -8.5915 -8.5773 -7.9313 -7.9061 -7.4440 -7.4424 -2.7387 -2.7224 -2.4933 -2.4845 -2.4518 -2.4441 3.2949 3.2981 4.4219 4.4227 4.5342 4.5530 5.5388 5.5443 5.7444 5.7707 6.6147 6.6364 6.6902 6.6932 7.0674 7.0953 7.9559 7.9569 11.6417 11.7076 12.6323 12.6593 13.0248 13.0483 14.6190 14.6448 k = 0.2875 0.5000-0.0000 ( 2478 PWs) bands (ev): -46.4223 -46.4223 -24.0645 -24.0619 -22.0197 -22.0183 -21.9860 -21.9804 -19.0172 -19.0172 -8.5843 -8.5708 -7.8943 -7.8698 -7.4455 -7.4438 -2.7404 -2.7247 -2.4957 -2.4886 -2.4526 -2.4437 3.2909 3.2943 4.3689 4.3695 4.4275 4.4464 5.5316 5.5369 5.7180 5.7425 6.6225 6.6445 6.7019 6.7047 7.0450 7.0700 8.0017 8.0027 11.7260 11.7909 12.6354 12.6603 13.0686 13.0898 14.6291 14.6554 k = 0.3000 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4222 -46.4222 -24.0656 -24.0630 -22.0197 -22.0182 -21.9896 -21.9840 -19.0168 -19.0168 -8.5776 -8.5648 -7.8574 -7.8335 -7.4469 -7.4450 -2.7421 -2.7269 -2.4983 -2.4925 -2.4530 -2.4433 3.2862 3.2899 4.3140 4.3167 4.3292 4.3450 5.5246 5.5295 5.6922 5.7148 6.6305 6.6527 6.7134 6.7160 7.0237 7.0457 8.0446 8.0455 11.8099 11.8736 12.6384 12.6614 13.1131 13.1322 14.6369 14.6635 k = 0.3125 0.5000-0.0000 ( 2482 PWs) bands (ev): -46.4222 -46.4222 -24.0667 -24.0642 -22.0197 -22.0181 -21.9930 -21.9874 -19.0164 -19.0164 -8.5714 -8.5593 -7.8208 -7.7977 -7.4481 -7.4461 -2.7438 -2.7292 -2.5010 -2.4964 -2.4531 -2.4429 3.2809 3.2847 4.2221 4.2396 4.2742 4.2751 5.5176 5.5223 5.6671 5.6878 6.6387 6.6610 6.7246 6.7269 7.0034 7.0226 8.0845 8.0854 11.8928 11.9550 12.6412 12.6624 13.1577 13.1750 14.6426 14.6694 k = 0.3250 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4221 -46.4221 -24.0677 -24.0653 -22.0198 -22.0182 -21.9962 -21.9907 -19.0160 -19.0160 -8.5655 -8.5543 -7.7848 -7.7626 -7.4491 -7.4469 -2.7453 -2.7315 -2.5038 -2.5002 -2.4529 -2.4425 3.2746 3.2786 4.1280 4.1463 4.2290 4.2290 5.5107 5.5153 5.6429 5.6617 6.6470 6.6693 6.7355 6.7375 6.9843 7.0007 8.1215 8.1223 11.9741 12.0345 12.6439 12.6636 13.2022 13.2178 14.6466 14.6734 k = 0.3375 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4220 -46.4220 -24.0687 -24.0664 -22.0200 -22.0183 -21.9991 -21.9937 -19.0157 -19.0157 -8.5602 -8.5497 -7.7498 -7.7286 -7.4498 -7.4475 -2.7468 -2.7338 -2.5065 -2.5037 -2.4526 -2.4421 3.2674 3.2715 4.0392 4.0572 4.1869 4.1870 5.5041 5.5084 5.6197 5.6367 6.6555 6.6776 6.7459 6.7477 6.9662 6.9799 8.1556 8.1564 12.0531 12.1117 12.6464 12.6646 13.2462 13.2602 14.6490 14.6756 k = 0.3500 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4219 -46.4219 -24.0696 -24.0675 -22.0203 -22.0186 -22.0017 -21.9966 -19.0154 -19.0154 -8.5552 -8.5455 -7.7162 -7.6960 -7.4502 -7.4477 -2.7482 -2.7360 -2.5092 -2.5071 -2.4520 -2.4417 3.2589 3.2631 3.9565 3.9740 4.1478 4.1479 5.4977 5.5018 5.5976 5.6129 6.6640 6.6859 6.7558 6.7573 6.9491 6.9603 8.1867 8.1875 12.1295 12.1859 12.6488 12.6658 13.2893 13.3019 14.6500 14.6763 k = 0.3625 0.5000-0.0000 ( 2476 PWs) bands (ev): -46.4218 -46.4218 -24.0705 -24.0685 -22.0206 -22.0190 -22.0040 -21.9991 -19.0150 -19.0150 -8.5506 -8.5418 -7.6844 -7.6653 -7.4501 -7.4475 -2.7495 -2.7382 -2.5118 -2.5102 -2.4513 -2.4414 3.2490 3.2531 3.8807 3.8975 4.1117 4.1118 5.4916 5.4955 5.5770 5.5905 6.6726 6.6942 6.7652 6.7665 6.9331 6.9418 8.2151 8.2158 12.2026 12.2565 12.6511 12.6669 13.3311 13.3423 14.6499 14.6755 k = 0.3750 0.5000-0.0000 ( 2478 PWs) bands (ev): -46.4218 -46.4218 -24.0713 -24.0694 -22.0211 -22.0196 -22.0058 -22.0013 -19.0147 -19.0147 -8.5464 -8.5384 -7.6547 -7.6368 -7.4494 -7.4468 -2.7507 -2.7403 -2.5143 -2.5131 -2.4505 -2.4411 3.2375 3.2415 3.8125 3.8283 4.0787 4.0788 5.4857 5.4896 5.5578 5.5697 6.6813 6.7024 6.7740 6.7750 6.9180 6.9245 8.2407 8.2414 12.2718 12.3229 12.6534 12.6681 13.3711 13.3810 14.6488 14.6736 k = 0.3875 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4217 -46.4217 -24.0720 -24.0703 -22.0218 -22.0205 -22.0073 -22.0032 -19.0145 -19.0145 -8.5426 -8.5354 -7.6275 -7.6110 -7.4480 -7.4454 -2.7517 -2.7423 -2.5166 -2.5158 -2.4497 -2.4409 3.2245 3.2282 3.7523 3.7670 4.0486 4.0487 5.4802 5.4839 5.5402 5.5504 6.6900 6.7106 6.7822 6.7828 6.9038 6.9082 8.2636 8.2642 12.3366 12.3846 12.6558 12.6695 13.4088 13.4176 14.6471 14.6706 k = 0.4000 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4216 -46.4216 -24.0727 -24.0711 -22.0225 -22.0215 -22.0084 -22.0048 -19.0142 -19.0142 -8.5392 -8.5328 -7.6032 -7.5883 -7.4457 -7.4432 -2.7526 -2.7442 -2.5187 -2.5181 -2.4488 -2.4407 3.2098 3.2132 3.7005 3.7138 4.0216 4.0217 5.4750 5.4786 5.5245 5.5330 6.6988 6.7186 6.7896 6.7899 6.8905 6.8929 8.2839 8.2844 12.3963 12.4409 12.6583 12.6710 13.4440 13.4516 14.6449 14.6669 k = 0.4125 0.5000-0.0000 ( 2474 PWs) bands (ev): -46.4215 -46.4215 -24.0733 -24.0719 -22.0233 -22.0226 -22.0091 -22.0061 -19.0140 -19.0140 -8.5361 -8.5305 -7.5822 -7.5690 -7.4425 -7.4403 -2.7534 -2.7459 -2.5206 -2.5203 -2.4479 -2.4406 3.1940 3.1969 3.6571 3.6688 3.9977 3.9978 5.4701 5.4737 5.5106 5.5176 6.7075 6.7266 6.7962 6.7963 6.8780 6.8787 8.3016 8.3021 12.4504 12.4911 12.6611 12.6728 13.4761 13.4827 14.6424 14.6627 k = 0.4250 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4214 -46.4214 -24.0738 -24.0726 -22.0242 -22.0237 -22.0096 -22.0071 -19.0138 -19.0138 -8.5334 -8.5286 -7.5646 -7.5533 -7.4382 -7.4364 -2.7540 -2.7475 -2.5223 -2.5221 -2.4470 -2.4406 3.1776 3.1799 3.6217 3.6317 3.9770 3.9770 5.4655 5.4691 5.4988 5.5042 6.7163 6.7344 6.8017 6.8021 6.8655 6.8664 8.3168 8.3172 12.4981 12.5344 12.6645 12.6751 13.5049 13.5105 14.6400 14.6581 k = 0.4375 0.5000-0.0000 ( 2470 PWs) bands (ev): -46.4214 -46.4214 -24.0742 -24.0732 -22.0250 -22.0247 -22.0099 -22.0079 -19.0136 -19.0136 -8.5311 -8.5271 -7.5505 -7.5413 -7.4331 -7.4319 -2.7544 -2.7490 -2.5237 -2.5236 -2.4461 -2.4407 3.1614 3.1631 3.5937 3.6020 3.9594 3.9594 5.4612 5.4647 5.4892 5.4931 6.7250 6.7418 6.8061 6.8071 6.8536 6.8556 8.3296 8.3299 12.5388 12.5699 12.6691 12.6781 13.5299 13.5345 14.6377 14.6534 k = 0.4500 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4214 -46.4214 -24.0745 -24.0737 -22.0258 -22.0256 -22.0100 -22.0086 -19.0135 -19.0135 -8.5291 -8.5259 -7.5397 -7.5326 -7.4278 -7.4271 -2.7547 -2.7504 -2.5249 -2.5249 -2.4453 -2.4409 3.1463 3.1476 3.5725 3.5790 3.9449 3.9450 5.4572 5.4605 5.4818 5.4844 6.7335 6.7488 6.8094 6.8111 6.8432 6.8457 8.3400 8.3403 12.5716 12.5965 12.6754 12.6821 13.5509 13.5546 14.6359 14.6489 k = 0.4625 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4213 -46.4213 -24.0747 -24.0741 -22.0264 -22.0263 -22.0101 -22.0090 -19.0134 -19.0134 -8.5274 -8.5251 -7.5318 -7.5267 -7.4228 -7.4224 -2.7548 -2.7515 -2.5259 -2.5259 -2.4445 -2.4411 3.1335 3.1343 3.5571 3.5619 3.9337 3.9337 5.4538 5.4566 5.4764 5.4780 6.7417 6.7549 6.8112 6.8140 6.8349 6.8370 8.3480 8.3482 12.5962 12.6140 12.6833 12.6872 13.5677 13.5704 14.6347 14.6447 k = 0.4750 0.5000-0.0000 ( 2468 PWs) bands (ev): -46.4213 -46.4213 -24.0749 -24.0744 -22.0269 -22.0269 -22.0101 -22.0094 -19.0133 -19.0133 -8.5262 -8.5246 -7.5264 -7.5231 -7.4187 -7.4186 -2.7547 -2.7525 -2.5266 -2.5266 -2.4437 -2.4415 3.1236 3.1241 3.5468 3.5500 3.9256 3.9256 5.4512 5.4533 5.4729 5.4737 6.7493 6.7595 6.8115 6.8152 6.8294 6.8303 8.3537 8.3539 12.6128 12.6236 12.6914 12.6928 13.5799 13.5817 14.6343 14.6410 k = 0.4875 0.5000-0.0000 ( 2472 PWs) bands (ev): -46.4214 -46.4214 -24.0749 -24.0747 -22.0272 -22.0272 -22.0100 -22.0097 -19.0132 -19.0132 -8.5252 -8.5244 -7.5230 -7.5214 -7.4161 -7.4161 -2.7544 -2.7533 -2.5270 -2.5270 -2.4430 -2.4419 3.1175 3.1177 3.5412 3.5428 3.9208 3.9208 5.4497 5.4508 5.4710 5.4713 6.7558 6.7616 6.8112 6.8141 6.8268 6.8268 8.3572 8.3572 12.6225 12.6275 12.6971 12.6974 13.5874 13.5883 14.6346 14.6381 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4212 -46.4212 -24.0748 -24.0748 -22.0273 -22.0273 -22.0099 -22.0099 -19.0132 -19.0132 -8.5247 -8.5247 -7.5214 -7.5214 -7.4152 -7.4152 -2.7539 -2.7539 -2.5271 -2.5271 -2.4424 -2.4424 3.1155 3.1155 3.5399 3.5399 3.9192 3.9192 5.4496 5.4496 5.4704 5.4704 6.7602 6.7602 6.8120 6.8120 6.8260 6.8260 8.3583 8.3583 12.6271 12.6271 12.6992 12.6992 13.5903 13.5903 14.6360 14.6360 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4212 -46.4212 -24.0748 -24.0748 -22.0273 -22.0273 -22.0099 -22.0099 -19.0132 -19.0132 -8.5247 -8.5247 -7.5214 -7.5214 -7.4152 -7.4152 -2.7539 -2.7539 -2.5271 -2.5271 -2.4424 -2.4424 3.1155 3.1155 3.5399 3.5399 3.9192 3.9192 5.4496 5.4496 5.4704 5.4704 6.7602 6.7602 6.8120 6.8120 6.8260 6.8260 8.3583 8.3583 12.6271 12.6271 12.6992 12.6992 13.5903 13.5903 14.6360 14.6360 k = 0.4911 0.4911-0.0000 ( 2470 PWs) bands (ev): -46.4213 -46.4213 -24.0749 -24.0747 -22.0272 -22.0272 -22.0100 -22.0097 -19.0132 -19.0132 -8.5252 -8.5244 -7.5230 -7.5214 -7.4161 -7.4161 -2.7544 -2.7533 -2.5270 -2.5270 -2.4431 -2.4419 3.1175 3.1178 3.5413 3.5429 3.9208 3.9208 5.4498 5.4509 5.4710 5.4713 6.7557 6.7615 6.8112 6.8143 6.8266 6.8269 8.3571 8.3572 12.6226 12.6275 12.6972 12.6972 13.5874 13.5883 14.6346 14.6381 k = 0.4821 0.4821-0.0000 ( 2470 PWs) bands (ev): -46.4213 -46.4213 -24.0749 -24.0744 -22.0269 -22.0269 -22.0101 -22.0094 -19.0133 -19.0133 -8.5262 -8.5246 -7.5263 -7.5230 -7.4189 -7.4188 -2.7547 -2.7525 -2.5266 -2.5266 -2.4437 -2.4415 3.1240 3.1245 3.5469 3.5500 3.9258 3.9258 5.4512 5.4535 5.4729 5.4737 6.7489 6.7593 6.8122 6.8169 6.8285 6.8295 8.3537 8.3538 12.6138 12.6237 12.6910 12.6912 13.5796 13.5815 14.6343 14.6411 k = 0.4732 0.4732-0.0000 ( 2470 PWs) bands (ev): -46.4214 -46.4214 -24.0747 -24.0741 -22.0263 -22.0263 -22.0101 -22.0091 -19.0134 -19.0134 -8.5275 -8.5251 -7.5312 -7.5263 -7.4235 -7.4234 -2.7548 -2.7515 -2.5259 -2.5258 -2.4445 -2.4411 3.1348 3.1355 3.5567 3.5614 3.9340 3.9340 5.4540 5.4576 5.4763 5.4775 6.7404 6.7538 6.8145 6.8191 6.8320 6.8338 8.3479 8.3481 12.6006 12.6159 12.6808 12.6816 13.5671 13.5698 14.6348 14.6450 k = 0.4643 0.4643-0.0000 ( 2474 PWs) bands (ev): -46.4214 -46.4214 -24.0745 -24.0736 -22.0256 -22.0256 -22.0100 -22.0087 -19.0135 -19.0135 -8.5291 -8.5259 -7.5378 -7.5312 -7.4299 -7.4298 -2.7547 -2.7504 -2.5250 -2.5248 -2.4454 -2.4408 3.1500 3.1509 3.5707 3.5770 3.9455 3.9456 5.4580 5.4628 5.4812 5.4830 6.7307 6.7461 6.8172 6.8209 6.8373 6.8396 8.3399 8.3401 12.5830 12.6040 12.6664 12.6685 13.5497 13.5533 14.6361 14.6495 k = 0.4554 0.4554-0.0000 ( 2472 PWs) bands (ev): -46.4214 -46.4214 -24.0742 -24.0731 -22.0246 -22.0246 -22.0099 -22.0082 -19.0136 -19.0136 -8.5311 -8.5271 -7.5459 -7.5377 -7.4381 -7.4378 -2.7544 -2.7491 -2.5238 -2.5235 -2.4463 -2.4405 3.1694 3.1706 3.5888 3.5966 3.9604 3.9604 5.4630 5.4693 5.4876 5.4901 6.7200 6.7366 6.8198 6.8227 6.8441 6.8462 8.3296 8.3300 12.5610 12.5881 12.6483 12.6520 13.5276 13.5322 14.6381 14.6545 k = 0.4464 0.4464-0.0000 ( 2472 PWs) bands (ev): -46.4215 -46.4215 -24.0737 -24.0725 -22.0234 -22.0234 -22.0097 -22.0077 -19.0138 -19.0138 -8.5334 -8.5286 -7.5556 -7.5457 -7.4480 -7.4476 -2.7540 -2.7477 -2.5224 -2.5219 -2.4473 -2.4403 3.1931 3.1945 3.6109 3.6202 3.9786 3.9786 5.4691 5.4767 5.4959 5.4989 6.7084 6.7258 6.8224 6.8247 6.8523 6.8535 8.3172 8.3177 12.5345 12.5681 12.6266 12.6325 13.5009 13.5065 14.6407 14.6600 k = 0.4375 0.4375-0.0000 ( 2472 PWs) bands (ev): -46.4215 -46.4215 -24.0732 -24.0718 -22.0221 -22.0220 -22.0094 -22.0072 -19.0140 -19.0140 -8.5360 -8.5304 -7.5669 -7.5553 -7.4596 -7.4590 -2.7534 -2.7463 -2.5208 -2.5200 -2.4484 -2.4401 3.2210 3.2226 3.6370 3.6477 4.0001 4.0002 5.4760 5.4849 5.5060 5.5095 6.6960 6.7139 6.8251 6.8269 6.8613 6.8615 8.3028 8.3033 12.5038 12.5438 12.6015 12.6100 13.4697 13.4762 14.6438 14.6656 k = 0.4286 0.4286-0.0000 ( 2468 PWs) bands (ev): -46.4215 -46.4215 -24.0726 -24.0710 -22.0205 -22.0204 -22.0091 -22.0065 -19.0143 -19.0143 -8.5389 -8.5326 -7.5797 -7.5664 -7.4728 -7.4720 -2.7527 -2.7448 -2.5191 -2.5178 -2.4495 -2.4399 3.2529 3.2548 3.6668 3.6790 4.0251 4.0252 5.4839 5.4939 5.5180 5.5218 6.6829 6.7012 6.8279 6.8294 6.8698 6.8716 8.2863 8.2869 12.4690 12.5152 12.5736 12.5846 13.4341 13.4416 14.6473 14.6714 k = 0.4196 0.4196-0.0000 ( 2468 PWs) bands (ev): -46.4216 -46.4216 -24.0719 -24.0701 -22.0188 -22.0186 -22.0086 -22.0058 -19.0146 -19.0146 -8.5421 -8.5350 -7.5940 -7.5789 -7.4875 -7.4865 -2.7520 -2.7432 -2.5172 -2.5154 -2.4507 -2.4397 3.2889 3.2910 3.7003 3.7138 4.0534 4.0536 5.4925 5.5036 5.5320 5.5360 6.6692 6.6877 6.8311 6.8322 6.8788 6.8825 8.2679 8.2685 12.4302 12.4824 12.5430 12.5565 13.3943 13.4027 14.6508 14.6771 k = 0.4107 0.4107-0.0000 ( 2476 PWs) bands (ev): -46.4218 -46.4218 -24.0711 -24.0691 -22.0169 -22.0167 -22.0081 -22.0051 -19.0149 -19.0149 -8.5455 -8.5377 -7.6097 -7.5929 -7.5037 -7.5023 -2.7511 -2.7417 -2.5153 -2.5127 -2.4519 -2.4395 3.3288 3.3312 3.7373 3.7520 4.0853 4.0855 5.5020 5.5140 5.5477 5.5518 6.6550 6.6735 6.8345 6.8355 6.8885 6.8942 8.2477 8.2484 12.3878 12.4453 12.5100 12.5256 13.3503 13.3597 14.6543 14.6825 k = 0.4018 0.4018-0.0000 ( 2480 PWs) bands (ev): -46.4219 -46.4219 -24.0702 -24.0681 -22.0148 -22.0145 -22.0075 -22.0043 -19.0153 -19.0153 -8.5492 -8.5407 -7.6268 -7.6082 -7.5212 -7.5195 -2.7502 -2.7402 -2.5132 -2.5099 -2.4531 -2.4392 3.3725 3.3751 3.7775 3.7933 4.1206 4.1209 5.5122 5.5251 5.5652 5.5694 6.6403 6.6589 6.8383 6.8391 6.8989 6.9067 8.2257 8.2265 12.3421 12.4042 12.4747 12.4920 13.3024 13.3128 14.6576 14.6874 k = 0.3929 0.3929-0.0000 ( 2484 PWs) bands (ev): -46.4220 -46.4220 -24.0693 -24.0669 -22.0127 -22.0122 -22.0067 -22.0034 -19.0157 -19.0157 -8.5531 -8.5439 -7.6452 -7.6249 -7.5400 -7.5379 -2.7493 -2.7387 -2.5112 -2.5069 -2.4543 -2.4389 3.4199 3.4228 3.8208 3.8377 4.1595 4.1599 5.5232 5.5369 5.5844 5.5886 6.6254 6.6439 6.8425 6.8432 6.9101 6.9200 8.2022 8.2030 12.2932 12.3595 12.4370 12.4559 13.2507 13.2621 14.6606 14.6918 k = 0.3839 0.3839-0.0000 ( 2482 PWs) bands (ev): -46.4221 -46.4221 -24.0682 -24.0657 -22.0105 -22.0097 -22.0057 -22.0025 -19.0161 -19.0161 -8.5572 -8.5473 -7.6648 -7.6429 -7.5600 -7.5574 -2.7483 -2.7373 -2.5092 -2.5038 -2.4555 -2.4385 3.4708 3.4740 3.8669 3.8848 4.2020 4.2026 5.5350 5.5495 5.6053 5.6094 6.6102 6.6286 6.8471 6.8478 6.9220 6.9341 8.1771 8.1780 12.2416 12.3115 12.3971 12.4172 13.1954 13.2078 14.6630 14.6954 k = 0.3750 0.3750-0.0000 ( 2482 PWs) bands (ev): -46.4222 -46.4222 -24.0671 -24.0645 -22.0086 -22.0071 -22.0042 -22.0015 -19.0166 -19.0166 -8.5615 -8.5509 -7.6857 -7.6621 -7.5810 -7.5779 -2.7473 -2.7359 -2.5073 -2.5007 -2.4565 -2.4379 3.5252 3.5288 3.9156 3.9343 4.2481 4.2491 5.5474 5.5627 5.6276 5.6317 6.5949 6.6133 6.8522 6.8528 6.9348 6.9491 8.1507 8.1516 12.1874 12.2605 12.3550 12.3761 13.1368 13.1502 14.6647 14.6981 k = 0.3661 0.3661-0.0000 ( 2484 PWs) bands (ev): -46.4223 -46.4223 -24.0660 -24.0631 -22.0071 -22.0044 -22.0021 -22.0003 -19.0172 -19.0171 -8.5660 -8.5547 -7.7077 -7.6824 -7.6029 -7.5994 -2.7464 -2.7347 -2.5054 -2.4976 -2.4574 -2.4373 3.5830 3.5868 3.9668 3.9861 4.2979 4.2993 5.5605 5.5767 5.6515 5.6555 6.5797 6.5979 6.8577 6.8583 6.9483 6.9649 8.1230 8.1240 12.1310 12.2070 12.3106 12.3327 13.0749 13.0893 14.6656 14.6997 k = 0.3571 0.3571-0.0000 ( 2484 PWs) bands (ev): -46.4224 -46.4224 -24.0647 -24.0617 -22.0059 -22.0020 -21.9995 -21.9987 -19.0177 -19.0177 -8.5706 -8.5587 -7.7307 -7.7039 -7.6257 -7.6217 -2.7455 -2.7335 -2.5038 -2.4948 -2.4581 -2.4365 3.6438 3.6479 4.0201 4.0398 4.3515 4.3532 5.5743 5.5913 5.6768 5.6808 6.5646 6.5827 6.8638 6.8644 6.9628 6.9815 8.0943 8.0953 12.0726 12.1511 12.2640 12.2870 13.0101 13.0255 14.6655 14.7002 k = 0.3482 0.3482-0.0000 ( 2468 PWs) bands (ev): -46.4223 -46.4223 -24.0633 -24.0603 -22.0048 -22.0000 -21.9966 -21.9964 -19.0183 -19.0182 -8.5753 -8.5628 -7.7546 -7.7264 -7.6491 -7.6447 -2.7446 -2.7325 -2.5023 -2.4922 -2.4584 -2.4355 3.7077 3.7121 4.0753 4.0954 4.4087 4.4111 5.5887 5.6065 5.7035 5.7074 6.5499 6.5678 6.8705 6.8710 6.9781 6.9990 8.0645 8.0656 12.0125 12.0933 12.2154 12.2392 12.9424 12.9588 14.6643 14.6994 k = 0.3393 0.3393-0.0000 ( 2464 PWs) bands (ev): -46.4224 -46.4224 -24.0620 -24.0588 -22.0037 -21.9985 -21.9935 -21.9934 -19.0190 -19.0189 -8.5802 -8.5671 -7.7794 -7.7498 -7.6731 -7.6684 -2.7438 -2.7316 -2.5010 -2.4900 -2.4584 -2.4345 3.7744 3.7792 4.1323 4.1525 4.4697 4.4727 5.6038 5.6223 5.7315 5.7354 6.5357 6.5534 6.8778 6.8783 6.9942 7.0173 8.0339 8.0351 11.9509 12.0337 12.1648 12.1894 12.8721 12.8894 14.6620 14.6973 k = 0.3304 0.3304-0.0000 ( 2464 PWs) bands (ev): -46.4225 -46.4225 -24.0605 -24.0572 -22.0027 -21.9972 -21.9902 -21.9900 -19.0197 -19.0195 -8.5851 -8.5715 -7.8049 -7.7741 -7.6976 -7.6925 -2.7431 -2.7309 -2.5000 -2.4884 -2.4580 -2.4334 3.8438 3.8489 4.1909 4.2109 4.5343 4.5380 5.6193 5.6387 5.7606 5.7645 6.5220 6.5395 6.8857 6.8862 7.0112 7.0364 8.0027 8.0039 11.8880 11.9726 12.1123 12.1376 12.7993 12.8176 14.6584 14.6938 k = 0.3214 0.3214-0.0000 ( 2462 PWs) bands (ev): -46.4226 -46.4226 -24.0590 -24.0556 -22.0017 -21.9960 -21.9868 -21.9865 -19.0204 -19.0203 -8.5902 -8.5760 -7.8310 -7.7991 -7.7225 -7.7172 -2.7424 -2.7303 -2.4992 -2.4873 -2.4571 -2.4323 3.9157 3.9211 4.2508 4.2706 4.6024 4.6070 5.6355 5.6556 5.7909 5.7947 6.5090 6.5263 6.8943 6.8948 7.0290 7.0562 7.9709 7.9721 11.8242 11.9105 12.0581 12.0841 12.7242 12.7434 14.6533 14.6888 k = 0.3125 0.3125-0.0000 ( 2468 PWs) bands (ev): -46.4228 -46.4228 -24.0575 -24.0540 -22.0006 -21.9948 -21.9831 -21.9829 -19.0212 -19.0210 -8.5953 -8.5806 -7.8576 -7.8248 -7.7477 -7.7422 -2.7419 -2.7298 -2.4986 -2.4868 -2.4559 -2.4313 3.9898 3.9956 4.3120 4.3315 4.6740 4.6794 5.6521 5.6730 5.8222 5.8260 6.4968 6.5138 6.9037 6.9042 7.0476 7.0769 7.9387 7.9399 11.7596 11.8473 12.0022 12.0289 12.6470 12.6672 14.6469 14.6822 k = 0.3036 0.3036-0.0000 ( 2472 PWs) bands (ev): -46.4229 -46.4229 -24.0559 -24.0523 -21.9995 -21.9936 -21.9794 -21.9791 -19.0220 -19.0218 -8.6006 -8.5853 -7.8846 -7.8511 -7.7730 -7.7675 -2.7414 -2.7295 -2.4982 -2.4868 -2.4544 -2.4302 4.0660 4.0722 4.3744 4.3934 4.7489 4.7551 5.6693 5.6909 5.8544 5.8582 6.4855 6.5023 6.9139 6.9144 7.0670 7.0982 7.9062 7.9075 11.6946 11.7836 11.9449 11.9723 12.5679 12.5890 14.6390 14.6740 k = 0.2946 0.2946-0.0000 ( 2474 PWs) bands (ev): -46.4231 -46.4231 -24.0543 -24.0506 -21.9984 -21.9924 -21.9755 -21.9753 -19.0229 -19.0227 -8.6059 -8.5901 -7.9119 -7.8777 -7.7985 -7.7929 -2.7411 -2.7293 -2.4979 -2.4872 -2.4527 -2.4293 4.1442 4.1507 4.4379 4.4562 4.8269 4.8340 5.6869 5.7093 5.8874 5.8911 6.4753 6.4918 6.9249 6.9255 7.0871 7.1202 7.8737 7.8750 11.6293 11.7195 11.8862 11.9143 12.4870 12.5091 14.6296 14.6642 k = 0.2857 0.2857-0.0000 ( 2474 PWs) bands (ev): -46.4232 -46.4232 -24.0526 -24.0489 -21.9972 -21.9912 -21.9716 -21.9714 -19.0238 -19.0236 -8.6112 -8.5951 -7.9393 -7.9046 -7.8241 -7.8185 -2.7408 -2.7293 -2.4979 -2.4878 -2.4511 -2.4286 4.2240 4.2309 4.5023 4.5200 4.9078 4.9157 5.7049 5.7280 5.9211 5.9247 6.4661 6.4824 6.9368 6.9375 7.1079 7.1427 7.8412 7.8425 11.5640 11.6552 11.8264 11.8552 12.4046 12.4276 14.6186 14.6528 k = 0.2768 0.2768-0.0000 ( 2466 PWs) bands (ev): -46.4232 -46.4232 -24.0509 -24.0472 -21.9960 -21.9899 -21.9676 -21.9673 -19.0247 -19.0245 -8.6167 -8.6001 -7.9667 -7.9317 -7.8496 -7.8442 -2.7406 -2.7293 -2.4979 -2.4886 -2.4496 -2.4281 4.3052 4.3126 4.5678 4.5847 4.9914 5.0001 5.7233 5.7471 5.9553 5.9589 6.4582 6.4741 6.9497 6.9505 7.1292 7.1658 7.8089 7.8102 11.4990 11.5910 11.7656 11.7951 12.3206 12.3446 14.6062 14.6398 k = 0.2679 0.2679-0.0000 ( 2464 PWs) bands (ev): -46.4233 -46.4233 -24.0492 -24.0454 -21.9948 -21.9887 -21.9635 -21.9633 -19.0257 -19.0254 -8.6222 -8.6053 -7.9940 -7.9588 -7.8750 -7.8698 -2.7406 -2.7295 -2.4981 -2.4895 -2.4484 -2.4279 4.3876 4.3955 4.6341 4.6501 5.0775 5.0869 5.7422 5.7666 5.9899 5.9934 6.4516 6.4671 6.9635 6.9645 7.1510 7.1892 7.7769 7.7782 11.4343 11.5272 11.7040 11.7342 12.2354 12.2603 14.5922 14.6252 k = 0.2589 0.2589-0.0000 ( 2468 PWs) bands (ev): -46.4235 -46.4235 -24.0474 -24.0437 -21.9936 -21.9875 -21.9594 -21.9592 -19.0267 -19.0264 -8.6279 -8.6107 -8.0210 -7.9857 -7.9003 -7.8953 -2.7407 -2.7299 -2.4984 -2.4905 -2.4474 -2.4280 4.4710 4.4794 4.7013 4.7163 5.1658 5.1758 5.7613 5.7863 6.0246 6.0281 6.4464 6.4614 6.9785 6.9795 7.1732 7.2129 7.7454 7.7467 11.3703 11.4639 11.6418 11.6727 12.1490 12.1749 14.5766 14.6090 k = 0.2500 0.2500-0.0000 ( 2464 PWs) bands (ev): -46.4236 -46.4236 -24.0457 -24.0419 -21.9924 -21.9862 -21.9553 -21.9551 -19.0277 -19.0274 -8.6337 -8.6162 -8.0476 -8.0123 -7.9254 -7.9206 -2.7408 -2.7304 -2.4987 -2.4916 -2.4468 -2.4284 4.5550 4.5640 4.7692 4.7832 5.2562 5.2667 5.7807 5.8064 6.0594 6.0629 6.4427 6.4572 6.9945 6.9958 7.1957 7.2369 7.7146 7.7158 11.3073 11.4015 11.5792 11.6108 12.0616 12.0884 14.5596 14.5912 k = 0.2411 0.2411-0.0000 ( 2458 PWs) bands (ev): -46.4236 -46.4236 -24.0439 -24.0402 -21.9911 -21.9850 -21.9511 -21.9509 -19.0288 -19.0285 -8.6396 -8.6219 -8.0737 -8.0386 -7.9502 -7.9457 -2.7411 -2.7310 -2.4990 -2.4926 -2.4465 -2.4292 4.6393 4.6490 4.8379 4.8507 5.3482 5.3592 5.8004 5.8267 6.0941 6.0975 6.4404 6.4544 7.0116 7.0131 7.2184 7.2608 7.6846 7.6857 11.2453 11.3400 11.5164 11.5486 11.9733 12.0012 14.5412 14.5720 k = 0.2321 0.2321-0.0000 ( 2464 PWs) bands (ev): -46.4239 -46.4239 -24.0422 -24.0384 -21.9898 -21.9838 -21.9470 -21.9468 -19.0299 -19.0295 -8.6456 -8.6279 -8.0991 -8.0643 -7.9748 -7.9705 -2.7414 -2.7317 -2.4995 -2.4937 -2.4467 -2.4303 4.7237 4.7340 4.9073 4.9187 5.4418 5.4529 5.8203 5.8472 6.1285 6.1319 6.4398 6.4531 7.0298 7.0316 7.2410 7.2846 7.6555 7.6566 11.1846 11.2798 11.4536 11.4865 11.8842 11.9132 14.5214 14.5514 k = 0.2232 0.2232-0.0000 ( 2468 PWs) bands (ev): -46.4240 -46.4240 -24.0405 -24.0367 -21.9886 -21.9826 -21.9428 -21.9427 -19.0310 -19.0306 -8.6518 -8.6340 -8.1238 -8.0893 -7.9989 -7.9949 -2.7419 -2.7326 -2.4999 -2.4947 -2.4473 -2.4319 4.8077 4.8189 4.9773 4.9873 5.5366 5.5476 5.8404 5.8681 6.1625 6.1658 6.4408 6.4535 7.0491 7.0512 7.2635 7.3082 7.6277 7.6286 11.1254 11.2210 11.3911 11.4245 11.7945 11.8246 14.5003 14.5293 k = 0.2143 0.2143-0.0000 ( 2464 PWs) bands (ev): -46.4241 -46.4241 -24.0387 -24.0350 -21.9873 -21.9814 -21.9387 -21.9386 -19.0321 -19.0317 -8.6582 -8.6405 -8.1475 -8.1136 -8.0226 -8.0188 -2.7425 -2.7336 -2.5003 -2.4956 -2.4483 -2.4338 4.8910 4.9031 5.0479 5.0562 5.6322 5.6427 5.8609 5.8896 6.1958 6.1991 6.4436 6.4554 7.0693 7.0719 7.2857 7.3314 7.6012 7.6019 11.0680 11.1638 11.3291 11.3630 11.7043 11.7358 14.4779 14.5061 k = 0.2054 0.2054-0.0000 ( 2448 PWs) bands (ev): -46.4240 -46.4240 -24.0370 -24.0333 -21.9860 -21.9802 -21.9346 -21.9345 -19.0332 -19.0328 -8.6648 -8.6472 -8.1702 -8.1370 -8.0458 -8.0423 -2.7431 -2.7346 -2.5007 -2.4965 -2.4497 -2.4361 4.9731 4.9863 5.1191 5.1256 5.7278 5.7367 5.8820 5.9128 6.2284 6.2317 6.4482 6.4591 7.0903 7.0934 7.3074 7.3539 7.5763 7.5768 11.0124 11.1085 11.2679 11.3022 11.6139 11.6467 14.4545 14.4817 k = 0.1964 0.1964-0.0000 ( 2448 PWs) bands (ev): -46.4241 -46.4241 -24.0353 -24.0317 -21.9847 -21.9790 -21.9306 -21.9305 -19.0343 -19.0339 -8.6716 -8.6543 -8.1918 -8.1594 -8.0684 -8.0653 -2.7439 -2.7358 -2.5011 -2.4974 -2.4514 -2.4387 5.0536 5.0679 5.1908 5.1954 5.8207 5.8259 5.9064 5.9410 6.2603 6.2635 6.4546 6.4646 7.1119 7.1156 7.3284 7.3756 7.5532 7.5534 10.9589 11.0551 11.2077 11.2423 11.5233 11.5577 14.4300 14.4562 k = 0.1875 0.1875-0.0000 ( 2446 PWs) bands (ev): -46.4242 -46.4242 -24.0336 -24.0301 -21.9835 -21.9779 -21.9266 -21.9265 -19.0354 -19.0351 -8.6787 -8.6617 -8.2122 -8.1807 -8.0905 -8.0876 -2.7448 -2.7371 -2.5015 -2.4982 -2.4536 -2.4417 5.1321 5.1475 5.2628 5.2655 5.8932 5.8965 5.9512 5.9878 6.2912 6.2944 6.4629 6.4719 7.1336 7.1381 7.3486 7.3963 7.5322 7.5323 10.9074 11.0038 11.1489 11.1835 11.4328 11.4691 14.4045 14.4297 k = 0.1786 0.1786-0.0000 ( 2450 PWs) bands (ev): -46.4244 -46.4244 -24.0320 -24.0285 -21.9822 -21.9768 -21.9228 -21.9227 -19.0366 -19.0362 -8.6860 -8.6694 -8.2314 -8.2009 -8.1119 -8.1092 -2.7458 -2.7385 -2.5019 -2.4989 -2.4560 -2.4449 5.2082 5.2245 5.3351 5.3359 5.9254 5.9363 6.0360 6.0651 6.3214 6.3245 6.4730 6.4810 7.1550 7.1604 7.3675 7.4157 7.5134 7.5139 10.8582 10.9546 11.0918 11.1260 11.3426 11.3811 14.3783 14.4024 k = 0.1696 0.1696-0.0000 ( 2446 PWs) bands (ev): -46.4245 -46.4245 -24.0303 -24.0270 -21.9810 -21.9757 -21.9190 -21.9189 -19.0377 -19.0373 -8.6934 -8.6774 -8.2492 -8.2199 -8.1326 -8.1302 -2.7468 -2.7400 -2.5022 -2.4996 -2.4587 -2.4484 5.2816 5.2986 5.4064 5.4074 5.9466 5.9608 6.1313 6.1568 6.3507 6.3539 6.4851 6.4920 7.1755 7.1820 7.3851 7.4338 7.4978 7.4986 10.8112 10.9075 11.0366 11.0699 11.2532 11.2942 14.3514 14.3745 k = 0.1607 0.1607-0.0000 ( 2448 PWs) bands (ev): -46.4246 -46.4246 -24.0288 -24.0256 -21.9798 -21.9747 -21.9153 -21.9152 -19.0388 -19.0384 -8.7011 -8.6858 -8.2656 -8.2376 -8.1525 -8.1504 -2.7480 -2.7415 -2.5025 -2.5002 -2.4617 -2.4521 5.3520 5.3694 5.4768 5.4791 5.9651 5.9804 6.2280 6.2525 6.3795 6.3826 6.4990 6.5049 7.1942 7.2020 7.4009 7.4502 7.4859 7.4870 10.7662 10.8622 10.9837 11.0154 11.1649 11.2092 14.3239 14.3460 k = 0.1518 0.1518-0.0000 ( 2454 PWs) bands (ev): -46.4248 -46.4248 -24.0273 -24.0242 -21.9786 -21.9737 -21.9117 -21.9117 -19.0399 -19.0395 -8.7090 -8.6944 -8.2806 -8.2541 -8.1716 -8.1697 -2.7492 -2.7432 -2.5028 -2.5008 -2.4648 -2.4560 5.4194 5.4368 5.5463 5.5498 5.9824 5.9976 6.3241 6.3489 6.4078 6.4113 6.5146 6.5198 7.2104 7.2195 7.4145 7.4646 7.4787 7.4798 10.7231 10.8182 10.9335 10.9622 11.0785 11.1270 14.2961 14.3171 k = 0.1429 0.1429-0.0000 ( 2452 PWs) bands (ev): -46.4249 -46.4249 -24.0258 -24.0228 -21.9774 -21.9728 -21.9083 -21.9083 -19.0410 -19.0406 -8.7170 -8.7032 -8.2943 -8.2692 -8.1899 -8.1883 -2.7504 -2.7448 -2.5031 -2.5013 -2.4681 -2.4600 5.4835 5.5006 5.6146 5.6188 5.9988 6.0134 6.4142 6.4334 6.4444 6.4475 6.5320 6.5369 7.2232 7.2337 7.4254 7.4733 7.4770 7.4809 10.6813 10.7747 10.8863 10.9101 10.9954 11.0491 14.2681 14.2880 k = 0.1339 0.1339-0.0000 ( 2452 PWs) bands (ev): -46.4250 -46.4250 -24.0244 -24.0216 -21.9763 -21.9719 -21.9050 -21.9050 -19.0420 -19.0416 -8.7250 -8.7122 -8.3066 -8.2831 -8.2073 -8.2059 -2.7517 -2.7466 -2.5033 -2.5018 -2.4715 -2.4641 5.5443 5.5608 5.6807 5.6854 6.0144 6.0281 6.4606 6.4627 6.5166 6.5406 6.5519 6.5590 7.2322 7.2439 7.4338 7.4763 7.4808 7.4904 10.6400 10.7297 10.8426 10.8585 10.9174 10.9775 14.2401 14.2590 k = 0.1250 0.1250-0.0000 ( 2456 PWs) bands (ev): -46.4251 -46.4251 -24.0231 -24.0204 -21.9752 -21.9710 -21.9019 -21.9018 -19.0430 -19.0426 -8.7331 -8.7212 -8.3176 -8.2958 -8.2238 -8.2225 -2.7531 -2.7483 -2.5035 -2.5022 -2.4749 -2.4681 5.6016 5.6174 5.7442 5.7491 6.0293 6.0418 6.4896 6.4907 6.5671 6.5706 6.6203 6.6361 7.2375 7.2500 7.4406 7.4821 7.4887 7.4992 10.5976 10.6802 10.8027 10.8070 10.8478 10.9144 14.2123 14.2300 k = 0.1161 0.1161-0.0000 ( 2452 PWs) bands (ev): -46.4252 -46.4252 -24.0218 -24.0192 -21.9742 -21.9702 -21.8989 -21.8989 -19.0439 -19.0436 -8.7411 -8.7301 -8.3274 -8.3072 -8.2393 -8.2382 -2.7544 -2.7501 -2.5037 -2.5026 -2.4783 -2.4722 5.6552 5.6701 5.8042 5.8092 6.0436 6.0547 6.5177 6.5189 6.5906 6.5921 6.7091 6.7283 7.2396 7.2527 7.4467 7.4908 7.4990 7.5064 10.5523 10.6233 10.7569 10.7666 10.7902 10.8613 14.1849 14.2015 k = 0.1071 0.1071-0.0000 ( 2453 PWs) bands (ev): -46.4253 -46.4253 -24.0205 -24.0182 -21.9732 -21.9695 -21.8961 -21.8961 -19.0448 -19.0445 -8.7490 -8.7390 -8.3360 -8.3175 -8.2538 -8.2529 -2.7558 -2.7518 -2.5039 -2.5029 -2.4816 -2.4761 5.7048 5.7187 5.8603 5.8652 6.0574 6.0671 6.5460 6.5476 6.6131 6.6145 6.7976 6.8182 7.2393 7.2526 7.4519 7.5010 7.5104 7.5120 10.5021 10.5586 10.7110 10.7326 10.7472 10.8175 14.1581 14.1735 k = 0.0982 0.0982-0.0000 ( 2453 PWs) bands (ev): -46.4253 -46.4253 -24.0194 -24.0172 -21.9723 -21.9688 -21.8935 -21.8935 -19.0457 -19.0454 -8.7566 -8.7476 -8.3435 -8.3267 -8.2673 -8.2666 -2.7571 -2.7536 -2.5040 -2.5032 -2.4848 -2.4799 5.7502 5.7631 5.9121 5.9166 6.0707 6.0789 6.5749 6.5768 6.6361 6.6376 6.8834 6.9049 7.2375 7.2509 7.4562 7.5101 7.5177 7.5221 10.4464 10.4887 10.6722 10.6994 10.7177 10.7814 14.1321 14.1463 k = 0.0893 0.0893-0.0000 ( 2465 PWs) bands (ev): -46.4256 -46.4256 -24.0184 -24.0163 -21.9714 -21.9682 -21.8911 -21.8911 -19.0465 -19.0462 -8.7639 -8.7559 -8.3499 -8.3348 -8.2797 -8.2791 -2.7585 -2.7553 -2.5041 -2.5035 -2.4879 -2.4836 5.7911 5.8030 5.9591 5.9633 6.0837 6.0904 6.6043 6.6065 6.6596 6.6612 6.9654 6.9877 7.2350 7.2483 7.4592 7.5142 7.5266 7.5332 10.3862 10.4171 10.6411 10.6701 10.6957 10.7515 14.1072 14.1202 k = 0.0804 0.0804-0.0000 ( 2469 PWs) bands (ev): -46.4257 -46.4257 -24.0174 -24.0155 -21.9706 -21.9677 -21.8889 -21.8888 -19.0472 -19.0470 -8.7708 -8.7637 -8.3554 -8.3420 -8.2910 -8.2906 -2.7598 -2.7570 -2.5042 -2.5038 -2.4908 -2.4871 5.8273 5.8381 6.0014 6.0050 6.0963 6.1016 6.6339 6.6363 6.6833 6.6848 7.0425 7.0657 7.2323 7.2454 7.4614 7.5156 7.5362 7.5432 10.3239 10.3462 10.6170 10.6456 10.6784 10.7266 14.0835 14.0954 k = 0.0714 0.0714-0.0000 ( 2469 PWs) bands (ev): -46.4258 -46.4258 -24.0165 -24.0148 -21.9698 -21.9672 -21.8868 -21.8868 -19.0479 -19.0477 -8.7772 -8.7710 -8.3600 -8.3482 -8.3013 -8.3009 -2.7610 -2.7585 -2.5043 -2.5040 -2.4934 -2.4902 5.8588 5.8685 6.0389 6.0417 6.1085 6.1123 6.6633 6.6660 6.7069 6.7082 7.1136 7.1375 7.2299 7.2426 7.4633 7.5161 7.5446 7.5517 10.2619 10.2780 10.5986 10.6253 10.6648 10.7062 14.0615 14.0722 k = 0.0625 0.0625-0.0000 ( 2469 PWs) bands (ev): -46.4258 -46.4258 -24.0157 -24.0142 -21.9691 -21.9668 -21.8851 -21.8851 -19.0485 -19.0483 -8.7830 -8.7777 -8.3638 -8.3537 -8.3103 -8.3101 -2.7621 -2.7599 -2.5043 -2.5042 -2.4958 -2.4932 5.8856 5.8941 6.0715 6.0737 6.1201 6.1227 6.6917 6.6948 6.7301 6.7308 7.1771 7.2014 7.2281 7.2403 7.4659 7.5169 7.5513 7.5584 10.2021 10.2138 10.5847 10.6086 10.6543 10.6895 14.0413 14.0508 k = 0.0536 0.0536-0.0000 ( 2469 PWs) bands (ev): -46.4259 -46.4259 -24.0149 -24.0137 -21.9685 -21.9665 -21.8835 -21.8835 -19.0490 -19.0488 -8.7882 -8.7837 -8.3669 -8.3583 -8.3182 -8.3181 -2.7631 -2.7613 -2.5044 -2.5044 -2.4979 -2.4957 5.9077 5.9152 6.0996 6.1009 6.1309 6.1324 6.7185 6.7219 6.7524 6.7525 7.2243 7.2343 7.2373 7.2566 7.4709 7.5191 7.5564 7.5634 10.1465 10.1548 10.5744 10.5951 10.6465 10.6759 14.0231 14.0314 k = 0.0446 0.0446-0.0000 ( 2473 PWs) bands (ev): -46.4260 -46.4260 -24.0143 -24.0133 -21.9679 -21.9663 -21.8822 -21.8822 -19.0495 -19.0493 -8.7926 -8.7889 -8.3693 -8.3622 -8.3250 -8.3249 -2.7639 -2.7624 -2.5046 -2.5044 -2.4996 -2.4980 5.9257 5.9319 6.1231 6.1235 6.1409 6.1411 6.7427 6.7466 6.7724 6.7734 7.2256 7.2362 7.2765 7.2982 7.4799 7.5233 7.5602 7.5669 10.0963 10.1023 10.5671 10.5844 10.6410 10.6651 13.9934 14.0017 k = 0.0357 0.0357-0.0000 ( 2477 PWs) bands (ev): -46.4261 -46.4261 -24.0138 -24.0129 -21.9674 -21.9661 -21.8811 -21.8811 -19.0498 -19.0497 -8.7962 -8.7933 -8.3710 -8.3654 -8.3305 -8.3305 -2.7646 -2.7634 -2.5048 -2.5045 -2.5010 -2.4999 5.9398 5.9448 6.1410 6.1420 6.1490 6.1503 6.7636 6.7677 6.7903 6.7921 7.2260 7.2351 7.3090 7.3266 7.4935 7.5296 7.5634 7.5696 10.0532 10.0573 10.5621 10.5760 10.6375 10.6566 13.9430 13.9511 k = 0.0268 0.0268-0.0000 ( 2493 PWs) bands (ev): -46.4263 -46.4263 -24.0133 -24.0127 -21.9670 -21.9660 -21.8802 -21.8802 -19.0501 -19.0500 -8.7990 -8.7969 -8.3722 -8.3681 -8.3349 -8.3349 -2.7652 -2.7643 -2.5050 -2.5046 -2.5020 -2.5014 5.9504 5.9542 6.1519 6.1538 6.1582 6.1603 6.7806 6.7844 6.8055 6.8077 7.2269 7.2343 7.3308 7.3431 7.5094 7.5360 7.5673 7.5721 10.0182 10.0209 10.5591 10.5696 10.6356 10.6498 13.9033 13.9095 k = 0.0179 0.0179-0.0000 ( 2501 PWs) bands (ev): -46.4264 -46.4264 -24.0130 -24.0126 -21.9666 -21.9660 -21.8796 -21.8796 -19.0504 -19.0503 -8.8010 -8.7995 -8.3729 -8.3701 -8.3380 -8.3380 -2.7656 -2.7650 -2.5052 -2.5047 -2.5027 -2.5025 5.9579 5.9605 6.1579 6.1587 6.1684 6.1695 6.7934 6.7964 6.8175 6.8194 7.2282 7.2334 7.3439 7.3512 7.5236 7.5400 7.5724 7.5751 9.9924 9.9941 10.5577 10.5647 10.6351 10.6446 13.8749 13.8791 k = 0.0089 0.0089-0.0000 ( 2501 PWs) bands (ev): -46.4264 -46.4264 -24.0127 -24.0125 -21.9663 -21.9660 -21.8793 -21.8793 -19.0505 -19.0504 -8.8020 -8.8013 -8.3730 -8.3716 -8.3399 -8.3399 -2.7657 -2.7654 -2.5052 -2.5049 -2.5031 -2.5030 5.9626 5.9639 6.1612 6.1615 6.1748 6.1752 6.8015 6.8032 6.8253 6.8264 7.2297 7.2324 7.3510 7.3543 7.5334 7.5408 7.5771 7.5780 9.9767 9.9775 10.5577 10.5612 10.6359 10.6407 13.8581 13.8603 k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4265 -46.4265 -24.0126 -24.0126 -21.9661 -21.9661 -21.8791 -21.8791 -19.0505 -19.0505 -8.8021 -8.8021 -8.3725 -8.3725 -8.3405 -8.3405 -2.7657 -2.7657 -2.5051 -2.5051 -2.5032 -2.5032 5.9645 5.9645 6.1623 6.1623 6.1770 6.1770 6.8049 6.8049 6.8284 6.8284 7.2312 7.2312 7.3542 7.3542 7.5387 7.5387 7.5791 7.5791 9.9717 9.9717 10.5589 10.5589 10.6378 10.6378 13.8532 13.8532 k = 0.0000 0.0000 0.0000 ( 2501 PWs) bands (ev): -46.4265 -46.4265 -24.0126 -24.0126 -21.9661 -21.9661 -21.8791 -21.8791 -19.0505 -19.0505 -8.8021 -8.8021 -8.3725 -8.3725 -8.3405 -8.3405 -2.7657 -2.7657 -2.5051 -2.5051 -2.5032 -2.5032 5.9645 5.9645 6.1623 6.1623 6.1770 6.1770 6.8049 6.8049 6.8284 6.8284 7.2312 7.2312 7.3542 7.3542 7.5387 7.5387 7.5791 7.5791 9.9717 9.9717 10.5589 10.5589 10.6378 10.6378 13.8532 13.8532 k = 0.0000 0.0000 0.0126 ( 2501 PWs) bands (ev): -46.4264 -46.4264 -24.0126 -24.0126 -21.9663 -21.9663 -21.8791 -21.8791 -19.0505 -19.0505 -8.8016 -8.8016 -8.3719 -8.3719 -8.3405 -8.3405 -2.7656 -2.7656 -2.5050 -2.5050 -2.5032 -2.5032 5.9625 5.9625 6.1593 6.1593 6.1761 6.1761 6.8031 6.8031 6.8268 6.8268 7.2305 7.2305 7.3505 7.3505 7.5389 7.5389 7.5794 7.5794 9.9719 9.9719 10.5624 10.5624 10.6413 10.6413 13.8533 13.8533 k = 0.0000 0.0000 0.0252 ( 2493 PWs) bands (ev): -46.4263 -46.4263 -24.0128 -24.0128 -21.9667 -21.9667 -21.8791 -21.8791 -19.0503 -19.0503 -8.8000 -8.8000 -8.3699 -8.3699 -8.3404 -8.3404 -2.7652 -2.7652 -2.5045 -2.5045 -2.5030 -2.5030 5.9562 5.9562 6.1503 6.1503 6.1733 6.1733 6.7979 6.7979 6.8219 6.8219 7.2283 7.2283 7.3397 7.3397 7.5393 7.5393 7.5802 7.5802 9.9725 9.9725 10.5730 10.5730 10.6517 10.6517 13.8534 13.8534 k = 0.0000 0.0000 0.0378 ( 2497 PWs) bands (ev): -46.4264 -46.4264 -24.0130 -24.0130 -21.9674 -21.9674 -21.8791 -21.8791 -19.0501 -19.0501 -8.7974 -8.7974 -8.3666 -8.3666 -8.3402 -8.3402 -2.7647 -2.7647 -2.5037 -2.5037 -2.5028 -2.5028 5.9451 5.9451 6.1359 6.1359 6.1686 6.1686 6.7895 6.7895 6.8141 6.8141 7.2248 7.2248 7.3221 7.3221 7.5400 7.5400 7.5815 7.5815 9.9734 9.9734 10.5905 10.5905 10.6690 10.6690 13.8537 13.8537 k = 0.0000 0.0000 0.0504 ( 2489 PWs) bands (ev): -46.4262 -46.4262 -24.0134 -24.0134 -21.9683 -21.9683 -21.8790 -21.8790 -19.0498 -19.0498 -8.7939 -8.7939 -8.3618 -8.3618 -8.3400 -8.3400 -2.7639 -2.7639 -2.5025 -2.5025 -2.5024 -2.5024 5.9280 5.9280 6.1171 6.1171 6.1620 6.1620 6.7779 6.7779 6.8034 6.8034 7.2199 7.2199 7.2983 7.2983 7.5409 7.5409 7.5832 7.5832 9.9746 9.9746 10.6147 10.6147 10.6930 10.6930 13.8540 13.8540 k = 0.0000 0.0000 0.0631 ( 2497 PWs) bands (ev): -46.4263 -46.4263 -24.0138 -24.0138 -21.9696 -21.9696 -21.8790 -21.8790 -19.0495 -19.0495 -8.7896 -8.7896 -8.3556 -8.3556 -8.3397 -8.3397 -2.7630 -2.7630 -2.5021 -2.5021 -2.5010 -2.5010 5.9035 5.9035 6.0954 6.0954 6.1535 6.1535 6.7636 6.7636 6.7903 6.7903 7.2137 7.2137 7.2691 7.2691 7.5420 7.5420 7.5852 7.5852 9.9762 9.9762 10.6454 10.6454 10.7235 10.7235 13.8544 13.8544 k = 0.0000 0.0000 0.0757 ( 2497 PWs) bands (ev): -46.4263 -46.4263 -24.0143 -24.0143 -21.9710 -21.9710 -21.8789 -21.8789 -19.0491 -19.0491 -8.7846 -8.7846 -8.3477 -8.3477 -8.3394 -8.3394 -2.7619 -2.7619 -2.5016 -2.5016 -2.4993 -2.4993 5.8700 5.8700 6.0724 6.0724 6.1431 6.1431 6.7468 6.7468 6.7750 6.7750 7.2062 7.2062 7.2354 7.2354 7.5433 7.5433 7.5875 7.5875 9.9781 9.9781 10.6823 10.6823 10.7601 10.7601 13.8548 13.8548 k = 0.0000 0.0000 0.0883 ( 2497 PWs) bands (ev): -46.4262 -46.4262 -24.0149 -24.0149 -21.9727 -21.9727 -21.8788 -21.8788 -19.0486 -19.0486 -8.7793 -8.7793 -8.3390 -8.3390 -8.3382 -8.3382 -2.7605 -2.7605 -2.5010 -2.5010 -2.4972 -2.4972 5.8261 5.8261 6.0495 6.0495 6.1307 6.1307 6.7280 6.7280 6.7580 6.7580 7.1975 7.1975 7.1983 7.1983 7.5446 7.5446 7.5898 7.5898 9.9803 9.9803 10.7250 10.7250 10.8026 10.8026 13.8554 13.8554 k = 0.0000 0.0000 0.1009 ( 2501 PWs) bands (ev): -46.4263 -46.4263 -24.0156 -24.0156 -21.9747 -21.9747 -21.8787 -21.8787 -19.0480 -19.0480 -8.7736 -8.7736 -8.3386 -8.3386 -8.3267 -8.3267 -2.7591 -2.7591 -2.5004 -2.5004 -2.4948 -2.4948 5.7713 5.7713 6.0275 6.0275 6.1165 6.1165 6.7075 6.7075 6.7396 6.7396 7.1587 7.1587 7.1877 7.1877 7.5459 7.5459 7.5922 7.5922 9.9828 9.9828 10.7733 10.7733 10.8506 10.8506 13.8560 13.8560 k = 0.0000 0.0000 0.1135 ( 2501 PWs) bands (ev): -46.4262 -46.4262 -24.0164 -24.0164 -21.9768 -21.9768 -21.8786 -21.8786 -19.0474 -19.0474 -8.7678 -8.7678 -8.3381 -8.3381 -8.3133 -8.3133 -2.7574 -2.7574 -2.4996 -2.4996 -2.4922 -2.4922 5.7060 5.7060 6.0063 6.0063 6.1003 6.1003 6.6858 6.6858 6.7203 6.7203 7.1174 7.1174 7.1767 7.1767 7.5471 7.5471 7.5944 7.5944 9.9855 9.9855 10.8267 10.8267 10.9037 10.9037 13.8567 13.8567 k = 0.0000 0.0000 0.1261 ( 2497 PWs) bands (ev): -46.4261 -46.4261 -24.0172 -24.0172 -21.9792 -21.9792 -21.8784 -21.8784 -19.0467 -19.0467 -8.7622 -8.7622 -8.3375 -8.3375 -8.2979 -8.2979 -2.7556 -2.7556 -2.4988 -2.4988 -2.4892 -2.4892 5.6310 5.6310 5.9856 5.9856 6.0824 6.0824 6.6631 6.6631 6.7004 6.7004 7.0753 7.0753 7.1648 7.1648 7.5482 7.5482 7.5966 7.5966 9.9886 9.9886 10.8847 10.8847 10.9615 10.9615 13.8574 13.8574 k = 0.0000 0.0000 0.1387 ( 2481 PWs) bands (ev): -46.4258 -46.4258 -24.0181 -24.0181 -21.9817 -21.9817 -21.8783 -21.8783 -19.0459 -19.0459 -8.7568 -8.7568 -8.3369 -8.3369 -8.2803 -8.2803 -2.7537 -2.7537 -2.4979 -2.4979 -2.4860 -2.4860 5.5473 5.5473 5.9650 5.9650 6.0626 6.0626 6.6399 6.6399 6.6803 6.6803 7.0329 7.0329 7.1520 7.1520 7.5491 7.5491 7.5986 7.5986 9.9918 9.9918 10.9470 10.9470 11.0236 11.0236 13.8583 13.8583 k = 0.0000 0.0000 0.1513 ( 2473 PWs) bands (ev): -46.4257 -46.4257 -24.0191 -24.0191 -21.9844 -21.9844 -21.8781 -21.8781 -19.0451 -19.0451 -8.7518 -8.7518 -8.3363 -8.3363 -8.2606 -8.2606 -2.7516 -2.7516 -2.4970 -2.4970 -2.4826 -2.4826 5.4561 5.4561 5.9441 5.9441 6.0412 6.0412 6.6165 6.6165 6.6602 6.6602 6.9908 6.9908 7.1384 7.1384 7.5497 7.5497 7.6004 7.6004 9.9953 9.9953 11.0130 11.0130 11.0894 11.0894 13.8591 13.8591 k = 0.0000 0.0000 0.1639 ( 2473 PWs) bands (ev): -46.4256 -46.4256 -24.0201 -24.0201 -21.9873 -21.9873 -21.8780 -21.8780 -19.0443 -19.0443 -8.7473 -8.7473 -8.3356 -8.3356 -8.2388 -8.2388 -2.7495 -2.7495 -2.4961 -2.4961 -2.4789 -2.4789 5.3586 5.3586 5.9226 5.9226 6.0182 6.0182 6.5932 6.5932 6.6403 6.6403 6.9492 6.9492 7.1240 7.1240 7.5501 7.5501 7.6019 7.6019 9.9989 9.9989 11.0823 11.0823 11.1586 11.1586 13.8600 13.8600 k = 0.0000 0.0000 0.1765 ( 2473 PWs) bands (ev): -46.4255 -46.4255 -24.0212 -24.0212 -21.9903 -21.9903 -21.8778 -21.8778 -19.0434 -19.0434 -8.7434 -8.7434 -8.3350 -8.3350 -8.2149 -8.2149 -2.7473 -2.7473 -2.4951 -2.4951 -2.4751 -2.4751 5.2557 5.2557 5.9005 5.9005 5.9939 5.9939 6.5702 6.5702 6.6210 6.6210 6.9085 6.9085 7.1091 7.1091 7.5503 7.5503 7.6032 7.6032 10.0027 10.0027 11.1545 11.1545 11.2307 11.2307 13.8608 13.8608 k = 0.0000 0.0000 0.1892 ( 2473 PWs) bands (ev): -46.4255 -46.4255 -24.0224 -24.0224 -21.9933 -21.9933 -21.8777 -21.8777 -19.0425 -19.0425 -8.7402 -8.7402 -8.3342 -8.3342 -8.1890 -8.1890 -2.7450 -2.7450 -2.4940 -2.4940 -2.4710 -2.4710 5.1486 5.1486 5.8778 5.8778 5.9684 5.9684 6.5478 6.5478 6.6022 6.6022 6.8688 6.8688 7.0937 7.0937 7.5503 7.5503 7.6042 7.6042 10.0067 10.0067 11.2290 11.2290 11.3052 11.3052 13.8617 13.8617 k = 0.0000 0.0000 0.2018 ( 2465 PWs) bands (ev): -46.4253 -46.4253 -24.0235 -24.0235 -21.9965 -21.9965 -21.8775 -21.8775 -19.0416 -19.0416 -8.7376 -8.7376 -8.3335 -8.3335 -8.1612 -8.1612 -2.7427 -2.7427 -2.4929 -2.4929 -2.4668 -2.4668 5.0383 5.0383 5.8544 5.8544 5.9420 5.9420 6.5260 6.5260 6.5841 6.5841 6.8301 6.8301 7.0779 7.0779 7.5501 7.5501 7.6050 7.6050 10.0108 10.0108 11.3054 11.3054 11.3816 11.3816 13.8627 13.8627 k = 0.0000 0.0000 0.2144 ( 2469 PWs) bands (ev): -46.4253 -46.4253 -24.0248 -24.0248 -21.9997 -21.9997 -21.8773 -21.8773 -19.0406 -19.0406 -8.7356 -8.7356 -8.3327 -8.3327 -8.1319 -8.1319 -2.7404 -2.7404 -2.4918 -2.4918 -2.4625 -2.4625 4.9258 4.9258 5.8305 5.8305 5.9147 5.9147 6.5050 6.5050 6.5668 6.5668 6.7927 6.7927 7.0618 7.0618 7.5496 7.5496 7.6056 7.6056 10.0149 10.0149 11.3833 11.3833 11.4595 11.4595 13.8636 13.8636 k = 0.0000 0.0000 0.2270 ( 2477 PWs) bands (ev): -46.4253 -46.4253 -24.0260 -24.0260 -22.0030 -22.0030 -21.8772 -21.8772 -19.0397 -19.0397 -8.7342 -8.7342 -8.3320 -8.3320 -8.1010 -8.1010 -2.7380 -2.7380 -2.4907 -2.4907 -2.4581 -2.4581 4.8119 4.8119 5.8061 5.8061 5.8870 5.8870 6.4849 6.4849 6.5503 6.5503 6.7564 6.7564 7.0455 7.0455 7.5490 7.5490 7.6060 7.6060 10.0191 10.0191 11.4621 11.4621 11.5384 11.5384 13.8645 13.8645 k = 0.0000 0.0000 0.2396 ( 2469 PWs) bands (ev): -46.4251 -46.4251 -24.0272 -24.0272 -22.0063 -22.0063 -21.8770 -21.8770 -19.0387 -19.0387 -8.7334 -8.7334 -8.3312 -8.3312 -8.0690 -8.0690 -2.7357 -2.7357 -2.4895 -2.4895 -2.4536 -2.4536 4.6976 4.6976 5.7814 5.7814 5.8590 5.8590 6.4658 6.4658 6.5347 6.5347 6.7215 6.7215 7.0292 7.0292 7.5482 7.5482 7.6062 7.6062 10.0235 10.0235 11.5415 11.5415 11.6180 11.6180 13.8655 13.8655 k = 0.0000 0.0000 0.2522 ( 2469 PWs) bands (ev): -46.4250 -46.4250 -24.0285 -24.0285 -22.0096 -22.0096 -21.8768 -21.8768 -19.0377 -19.0377 -8.7331 -8.7331 -8.3304 -8.3304 -8.0360 -8.0360 -2.7333 -2.7333 -2.4884 -2.4884 -2.4490 -2.4490 4.5837 4.5837 5.7567 5.7567 5.8310 5.8310 6.4476 6.4476 6.5198 6.5198 6.6878 6.6878 7.0130 7.0130 7.5473 7.5473 7.6062 7.6062 10.0277 10.0277 11.6209 11.6209 11.6976 11.6976 13.8664 13.8664 k = 0.0000 0.0000 0.2648 ( 2469 PWs) bands (ev): -46.4249 -46.4249 -24.0297 -24.0297 -22.0129 -22.0129 -21.8767 -21.8767 -19.0368 -19.0368 -8.7332 -8.7332 -8.3296 -8.3296 -8.0023 -8.0023 -2.7310 -2.7310 -2.4873 -2.4873 -2.4444 -2.4444 4.4710 4.4710 5.7319 5.7319 5.8031 5.8031 6.4304 6.4304 6.5058 6.5058 6.6555 6.6555 6.9969 6.9969 7.5463 7.5463 7.6061 7.6061 10.0320 10.0320 11.7000 11.7000 11.7768 11.7768 13.8673 13.8673 k = 0.0000 0.0000 0.2774 ( 2469 PWs) bands (ev): -46.4249 -46.4249 -24.0310 -24.0310 -22.0161 -22.0161 -21.8765 -21.8765 -19.0358 -19.0358 -8.7337 -8.7337 -8.3289 -8.3289 -7.9682 -7.9682 -2.7288 -2.7288 -2.4861 -2.4861 -2.4399 -2.4399 4.3601 4.3601 5.7075 5.7075 5.7757 5.7757 6.4142 6.4142 6.4926 6.4926 6.6245 6.6245 6.9810 6.9810 7.5452 7.5452 7.6058 7.6058 10.0363 10.0363 11.7782 11.7782 11.8553 11.8553 13.8682 13.8682 k = 0.0000 0.0000 0.2900 ( 2465 PWs) bands (ev): -46.4247 -46.4247 -24.0322 -24.0322 -22.0193 -22.0193 -21.8763 -21.8763 -19.0348 -19.0348 -8.7345 -8.7345 -8.3281 -8.3281 -7.9340 -7.9340 -2.7266 -2.7266 -2.4850 -2.4850 -2.4353 -2.4353 4.2519 4.2519 5.6834 5.6834 5.7489 5.7489 6.3990 6.3990 6.4802 6.4802 6.5950 6.5950 6.9655 6.9655 7.5440 7.5440 7.6055 7.6055 10.0404 10.0404 11.8551 11.8551 11.9324 11.9324 13.8690 13.8690 k = 0.0000 0.0000 0.3026 ( 2473 PWs) bands (ev): -46.4248 -46.4248 -24.0334 -24.0334 -22.0224 -22.0224 -21.8762 -21.8762 -19.0339 -19.0339 -8.7356 -8.7356 -8.3274 -8.3274 -7.8999 -7.8999 -2.7245 -2.7245 -2.4840 -2.4840 -2.4309 -2.4309 4.1469 4.1469 5.6599 5.6599 5.7228 5.7228 6.3847 6.3847 6.4685 6.4685 6.5671 6.5671 6.9504 6.9504 7.5428 7.5428 7.6051 7.6051 10.0445 10.0445 11.9302 11.9302 12.0078 12.0078 13.8699 13.8699 k = 0.0000 0.0000 0.3153 ( 2473 PWs) bands (ev): -46.4247 -46.4247 -24.0345 -24.0345 -22.0254 -22.0254 -21.8760 -21.8760 -19.0330 -19.0330 -8.7369 -8.7369 -8.3266 -8.3266 -7.8662 -7.8662 -2.7224 -2.7224 -2.4829 -2.4829 -2.4265 -2.4265 4.0457 4.0457 5.6372 5.6372 5.6977 5.6977 6.3713 6.3713 6.4576 6.4576 6.5406 6.5406 6.9359 6.9359 7.5416 7.5416 7.6046 7.6046 10.0485 10.0485 12.0032 12.0032 12.0811 12.0811 13.8707 13.8707 k = 0.0000 0.0000 0.3279 ( 2473 PWs) bands (ev): -46.4246 -46.4246 -24.0357 -24.0357 -22.0282 -22.0282 -21.8758 -21.8758 -19.0322 -19.0322 -8.7383 -8.7383 -8.3260 -8.3260 -7.8333 -7.8333 -2.7205 -2.7205 -2.4819 -2.4819 -2.4223 -2.4223 3.9490 3.9490 5.6154 5.6154 5.6737 5.6737 6.3589 6.3589 6.4475 6.4475 6.5158 6.5158 6.9220 6.9220 7.5404 7.5404 7.6041 7.6041 10.0523 10.0523 12.0735 12.0735 12.1517 12.1517 13.8715 13.8715 k = 0.0000 0.0000 0.3405 ( 2473 PWs) bands (ev): -46.4246 -46.4246 -24.0367 -24.0367 -22.0310 -22.0310 -21.8757 -21.8757 -19.0314 -19.0314 -8.7398 -8.7398 -8.3253 -8.3253 -7.8015 -7.8015 -2.7187 -2.7187 -2.4809 -2.4809 -2.4183 -2.4183 3.8571 3.8571 5.5947 5.5947 5.6510 5.6510 6.3472 6.3472 6.4381 6.4381 6.4927 6.4927 6.9088 6.9088 7.5392 7.5392 7.6035 7.6035 10.0559 10.0559 12.1408 12.1408 12.2192 12.2192 13.8722 13.8722 k = 0.0000 0.0000 0.3531 ( 2469 PWs) bands (ev): -46.4244 -46.4244 -24.0377 -24.0377 -22.0335 -22.0335 -21.8755 -21.8755 -19.0306 -19.0306 -8.7414 -8.7414 -8.3247 -8.3247 -7.7709 -7.7709 -2.7169 -2.7169 -2.4800 -2.4800 -2.4144 -2.4144 3.7707 3.7707 5.5752 5.5752 5.6297 5.6297 6.3364 6.3364 6.4294 6.4294 6.4713 6.4713 6.8964 6.8964 7.5380 7.5380 7.6029 7.6029 10.0594 10.0594 12.2045 12.2045 12.2833 12.2833 13.8729 13.8729 k = 0.0000 0.0000 0.3657 ( 2465 PWs) bands (ev): -46.4243 -46.4243 -24.0387 -24.0387 -22.0359 -22.0359 -21.8754 -21.8754 -19.0298 -19.0298 -8.7430 -8.7430 -8.3241 -8.3241 -7.7419 -7.7419 -2.7153 -2.7153 -2.4792 -2.4792 -2.4107 -2.4107 3.6902 3.6902 5.5569 5.5569 5.6099 5.6099 6.3265 6.3265 6.4215 6.4215 6.4517 6.4517 6.8848 6.8848 7.5369 7.5369 7.6024 7.6024 10.0626 10.0626 12.2644 12.2644 12.3434 12.3434 13.8736 13.8736 k = 0.0000 0.0000 0.3783 ( 2465 PWs) bands (ev): -46.4243 -46.4243 -24.0396 -24.0396 -22.0382 -22.0382 -21.8753 -21.8753 -19.0292 -19.0292 -8.7445 -8.7445 -8.3235 -8.3235 -7.7148 -7.7148 -2.7139 -2.7139 -2.4784 -2.4784 -2.4074 -2.4074 3.6160 3.6160 5.5401 5.5401 5.5917 5.5917 6.3174 6.3174 6.4143 6.4143 6.4339 6.4339 6.8741 6.8741 7.5359 7.5359 7.6019 7.6019 10.0657 10.0657 12.3200 12.3200 12.3992 12.3992 13.8742 13.8742 k = 0.0000 0.0000 0.3909 ( 2465 PWs) bands (ev): -46.4242 -46.4242 -24.0404 -24.0404 -22.0402 -22.0402 -21.8752 -21.8752 -19.0286 -19.0286 -8.7460 -8.7460 -8.3230 -8.3230 -7.6898 -7.6898 -2.7125 -2.7125 -2.4776 -2.4776 -2.4043 -2.4043 3.5484 3.5484 5.5249 5.5249 5.5752 5.5752 6.3090 6.3090 6.4079 6.4079 6.4181 6.4181 6.8644 6.8644 7.5349 7.5349 7.6013 7.6013 10.0684 10.0684 12.3708 12.3708 12.4503 12.4503 13.8748 13.8748 k = 0.0000 0.0000 0.4035 ( 2465 PWs) bands (ev): -46.4242 -46.4242 -24.0411 -24.0411 -22.0420 -22.0420 -21.8751 -21.8751 -19.0280 -19.0280 -8.7473 -8.7473 -8.3226 -8.3226 -7.6671 -7.6671 -2.7113 -2.7113 -2.4770 -2.4770 -2.4014 -2.4014 3.4880 3.4880 5.5112 5.5112 5.5604 5.5604 6.3015 6.3015 6.4022 6.4022 6.4041 6.4041 6.8557 6.8557 7.5340 7.5340 7.6009 7.6009 10.0709 10.0709 12.4166 12.4166 12.4963 12.4963 13.8753 13.8753 k = 0.0000 0.0000 0.4161 ( 2457 PWs) bands (ev): -46.4240 -46.4240 -24.0417 -24.0417 -22.0436 -22.0436 -21.8750 -21.8750 -19.0275 -19.0275 -8.7485 -8.7485 -8.3222 -8.3222 -7.6470 -7.6470 -2.7103 -2.7103 -2.4764 -2.4764 -2.3989 -2.3989 3.4349 3.4349 5.4992 5.4992 5.5475 5.5475 6.2949 6.2949 6.3921 6.3921 6.3973 6.3973 6.8480 6.8480 7.5332 7.5332 7.6004 7.6004 10.0731 10.0731 12.4571 12.4571 12.5369 12.5369 13.8758 13.8758 k = 0.0000 0.0000 0.4288 ( 2445 PWs) bands (ev): -46.4238 -46.4238 -24.0422 -24.0422 -22.0449 -22.0449 -21.8749 -21.8749 -19.0271 -19.0271 -8.7496 -8.7496 -8.3219 -8.3219 -7.6296 -7.6296 -2.7094 -2.7094 -2.4759 -2.4759 -2.3968 -2.3968 3.3896 3.3896 5.4890 5.4890 5.5365 5.5365 6.2892 6.2892 6.3819 6.3819 6.3931 6.3931 6.8415 6.8415 7.5326 7.5326 7.6001 7.6001 10.0750 10.0750 12.4918 12.4918 12.5719 12.5719 13.8762 13.8762 k = 0.0000 0.0000 0.4414 ( 2445 PWs) bands (ev): -46.4238 -46.4238 -24.0427 -24.0427 -22.0460 -22.0460 -21.8748 -21.8748 -19.0268 -19.0268 -8.7505 -8.7505 -8.3216 -8.3216 -7.6151 -7.6151 -2.7086 -2.7086 -2.4755 -2.4755 -2.3950 -2.3950 3.3521 3.3521 5.4805 5.4805 5.5274 5.5274 6.2844 6.2844 6.3737 6.3737 6.3896 6.3896 6.8361 6.8361 7.5320 7.5320 7.5998 7.5998 10.0765 10.0765 12.5206 12.5206 12.6008 12.6008 13.8765 13.8765 k = 0.0000 0.0000 0.4540 ( 2445 PWs) bands (ev): -46.4238 -46.4238 -24.0431 -24.0431 -22.0469 -22.0469 -21.8748 -21.8748 -19.0265 -19.0265 -8.7513 -8.7513 -8.3214 -8.3214 -7.6037 -7.6037 -2.7081 -2.7081 -2.4752 -2.4752 -2.3936 -2.3936 3.3227 3.3227 5.4739 5.4739 5.5203 5.5203 6.2806 6.2806 6.3674 6.3674 6.3869 6.3869 6.8319 6.8319 7.5316 7.5316 7.5995 7.5995 10.0777 10.0777 12.5433 12.5433 12.6236 12.6236 13.8768 13.8768 k = 0.0000 0.0000 0.4666 ( 2436 PWs) bands (ev): -46.4236 -46.4236 -24.0433 -24.0433 -22.0475 -22.0475 -21.8748 -21.8748 -19.0263 -19.0263 -8.7518 -8.7518 -8.3212 -8.3212 -7.5955 -7.5955 -2.7076 -2.7076 -2.4749 -2.4749 -2.3926 -2.3926 3.3016 3.3016 5.4691 5.4691 5.5153 5.5153 6.2778 6.2778 6.3628 6.3628 6.3850 6.3850 6.8289 6.8289 7.5313 7.5313 7.5993 7.5993 10.0786 10.0786 12.5596 12.5596 12.6400 12.6400 13.8770 13.8770 k = 0.0000 0.0000 0.4792 ( 2424 PWs) bands (ev): -46.4235 -46.4235 -24.0434 -24.0434 -22.0479 -22.0479 -21.8747 -21.8747 -19.0261 -19.0261 -8.7521 -8.7521 -8.3211 -8.3211 -7.5905 -7.5905 -2.7074 -2.7074 -2.4748 -2.4748 -2.3920 -2.3920 3.2890 3.2890 5.4663 5.4663 5.5122 5.5122 6.2762 6.2762 6.3601 6.3601 6.3839 6.3839 6.8271 6.8271 7.5311 7.5311 7.5992 7.5992 10.0792 10.0792 12.5695 12.5695 12.6499 12.6499 13.8772 13.8772 k = 0.0000 0.0000 0.4918 ( 2432 PWs) bands (ev): -46.4236 -46.4236 -24.0435 -24.0435 -22.0481 -22.0481 -21.8747 -21.8747 -19.0261 -19.0261 -8.7522 -8.7522 -8.3211 -8.3211 -7.5888 -7.5888 -2.7073 -2.7073 -2.4747 -2.4747 -2.3918 -2.3918 3.2847 3.2847 5.4653 5.4653 5.5112 5.5112 6.2756 6.2756 6.3593 6.3593 6.3835 6.3835 6.8264 6.8264 7.5310 7.5310 7.5992 7.5992 10.0793 10.0793 12.5728 12.5728 12.6532 12.6532 13.8772 13.8772 k = 0.0000 0.0000 0.4918 ( 2432 PWs) bands (ev): -46.4236 -46.4236 -24.0435 -24.0435 -22.0481 -22.0481 -21.8747 -21.8747 -19.0261 -19.0261 -8.7522 -8.7522 -8.3211 -8.3211 -7.5888 -7.5888 -2.7073 -2.7073 -2.4747 -2.4747 -2.3918 -2.3918 3.2847 3.2847 5.4653 5.4653 5.5112 5.5112 6.2756 6.2756 6.3593 6.3593 6.3835 6.3835 6.8264 6.8264 7.5310 7.5310 7.5992 7.5992 10.0793 10.0793 12.5728 12.5728 12.6532 12.6532 13.8772 13.8772 k = 0.0000 0.0125 0.4918 ( 2428 PWs) bands (ev): -46.4235 -46.4235 -24.0437 -24.0434 -22.0483 -22.0479 -21.8748 -21.8748 -19.0261 -19.0261 -8.7517 -8.7509 -8.3205 -8.3204 -7.5890 -7.5888 -2.7074 -2.7073 -2.4747 -2.4747 -2.3920 -2.3919 3.2846 3.2848 5.4598 5.4627 5.5073 5.5076 6.2623 6.2854 6.3495 6.3663 6.3865 6.3902 6.8292 6.8295 7.5276 7.5277 7.5955 7.5956 10.0844 10.0844 12.5719 12.5732 12.6505 12.6555 13.8810 13.8855 k = 0.0000 0.0250 0.4918 ( 2436 PWs) bands (ev): -46.4236 -46.4236 -24.0439 -24.0435 -22.0486 -22.0478 -21.8752 -21.8752 -19.0261 -19.0260 -8.7493 -8.7479 -8.3186 -8.3185 -7.5894 -7.5889 -2.7075 -2.7073 -2.4747 -2.4747 -2.3926 -2.3924 3.2845 3.2848 5.4433 5.4495 5.4987 5.5002 6.2480 6.2861 6.3442 6.3645 6.3967 6.4094 6.8380 6.8386 7.5174 7.5175 7.5847 7.5850 10.0995 10.0996 12.5706 12.5732 12.6476 12.6573 13.8967 13.9055 k = 0.0000 0.0375 0.4918 ( 2436 PWs) bands (ev): -46.4236 -46.4236 -24.0442 -24.0436 -22.0489 -22.0478 -21.8758 -21.8758 -19.0260 -19.0260 -8.7452 -8.7431 -8.3153 -8.3153 -7.5899 -7.5892 -2.7077 -2.7074 -2.4747 -2.4747 -2.3935 -2.3931 3.2844 3.2848 5.4129 5.4218 5.4913 5.4937 6.2323 6.2762 6.3407 6.3587 6.4158 6.4348 6.8530 6.8539 7.5005 7.5008 7.5677 7.5680 10.1244 10.1245 12.5690 12.5731 12.6449 12.6586 13.9238 13.9363 k = 0.0000 0.0500 0.4918 ( 2446 PWs) bands (ev): -46.4237 -46.4237 -24.0447 -24.0438 -22.0493 -22.0479 -21.8766 -21.8766 -19.0259 -19.0259 -8.7395 -8.7366 -8.3108 -8.3108 -7.5906 -7.5896 -2.7080 -2.7076 -2.4747 -2.4747 -2.3948 -2.3943 3.2842 3.2848 5.3702 5.3807 5.4861 5.4889 6.2137 6.2585 6.3350 6.3503 6.4419 6.4630 6.8747 6.8758 7.4772 7.4775 7.5453 7.5458 10.1587 10.1588 12.5674 12.5730 12.6425 12.6597 13.9612 13.9768 k = 0.0000 0.0625 0.4918 ( 2444 PWs) bands (ev): -46.4237 -46.4237 -24.0452 -24.0441 -22.0498 -22.0480 -21.8776 -21.8776 -19.0258 -19.0257 -8.7321 -8.7286 -8.3049 -8.3048 -7.5914 -7.5902 -2.7083 -2.7078 -2.4746 -2.4746 -2.3963 -2.3957 3.2840 3.2847 5.3186 5.3299 5.4817 5.4846 6.1910 6.2346 6.3265 6.3397 6.4710 6.4920 6.9032 6.9045 7.4479 7.4484 7.5190 7.5195 10.2016 10.2017 12.5663 12.5731 12.6408 12.6609 14.0076 14.0256 k = 0.0000 0.0750 0.4918 ( 2440 PWs) bands (ev): -46.4236 -46.4236 -24.0457 -24.0444 -22.0504 -22.0482 -21.8789 -21.8788 -19.0256 -19.0255 -8.7233 -8.7192 -8.2975 -8.2973 -7.5924 -7.5910 -2.7087 -2.7080 -2.4745 -2.4745 -2.3981 -2.3974 3.2838 3.2847 5.2605 5.2724 5.4775 5.4805 6.1627 6.2045 6.3155 6.3272 6.5003 6.5201 6.9385 6.9400 7.4136 7.4142 7.4898 7.4903 10.2526 10.2527 12.5660 12.5738 12.6398 12.6624 14.0614 14.0811 k = 0.0000 0.0875 0.4918 ( 2444 PWs) bands (ev): -46.4236 -46.4236 -24.0464 -24.0449 -22.0510 -22.0485 -21.8803 -21.8802 -19.0254 -19.0253 -8.7133 -8.7086 -8.2885 -8.2882 -7.5935 -7.5918 -2.7092 -2.7084 -2.4744 -2.4744 -2.4003 -2.3994 3.2836 3.2846 5.1979 5.2101 5.4729 5.4761 6.1277 6.1675 6.3025 6.3130 6.5279 6.5465 6.9802 6.9817 7.3757 7.3764 7.4586 7.4591 10.3109 10.3109 12.5668 12.5752 12.6398 12.6646 14.1209 14.1416 k = 0.0000 0.1000 0.4918 ( 2448 PWs) bands (ev): -46.4236 -46.4236 -24.0471 -24.0454 -22.0517 -22.0489 -21.8819 -21.8818 -19.0252 -19.0251 -8.7022 -8.6970 -8.2779 -8.2774 -7.5948 -7.5928 -2.7097 -2.7088 -2.4743 -2.4742 -2.4026 -2.4017 3.2833 3.2845 5.1322 5.1445 5.4680 5.4713 6.0852 6.1231 6.2876 6.2971 6.5534 6.5706 7.0272 7.0288 7.3356 7.3365 7.4261 7.4267 10.3757 10.3757 12.5692 12.5774 12.6407 12.6678 14.1845 14.2056 k = 0.0000 0.1125 0.4918 ( 2460 PWs) bands (ev): -46.4237 -46.4237 -24.0479 -24.0460 -22.0525 -22.0494 -21.8837 -21.8836 -19.0250 -19.0249 -8.6902 -8.6846 -8.2654 -8.2647 -7.5962 -7.5939 -2.7103 -2.7093 -2.4743 -2.4741 -2.4053 -2.4043 3.2830 3.2843 5.0643 5.0767 5.4627 5.4662 6.0345 6.0705 6.2710 6.2796 6.5765 6.5926 7.0782 7.0798 7.2955 7.2966 7.3929 7.3935 10.4462 10.4463 12.5732 12.5806 12.6428 12.6722 14.2505 14.2716 k = 0.0000 0.1250 0.4918 ( 2468 PWs) bands (ev): -46.4237 -46.4237 -24.0488 -24.0467 -22.0534 -22.0499 -21.8857 -21.8854 -19.0247 -19.0246 -8.6776 -8.6717 -8.2511 -8.2500 -7.5977 -7.5952 -2.7110 -2.7098 -2.4742 -2.4740 -2.4081 -2.4070 3.2826 3.2841 4.9952 5.0076 5.4570 5.4606 5.9752 6.0096 6.2527 6.2606 6.5976 6.6127 7.1307 7.1323 7.2580 7.2594 7.3595 7.3602 10.5218 10.5219 12.5786 12.5847 12.6464 12.6785 14.3177 14.3382 k = 0.0000 0.1375 0.4918 ( 2470 PWs) bands (ev): -46.4237 -46.4237 -24.0497 -24.0475 -22.0543 -22.0505 -21.8877 -21.8874 -19.0244 -19.0243 -8.6647 -8.6585 -8.2348 -8.2333 -7.5993 -7.5965 -2.7118 -2.7104 -2.4741 -2.4738 -2.4111 -2.4099 3.2822 3.2838 4.9254 4.9377 5.4508 5.4547 5.9072 5.9403 6.2327 6.2400 6.6171 6.6313 7.1739 7.1754 7.2338 7.2358 7.3263 7.3273 10.6017 10.6018 12.5852 12.5894 12.6521 12.6869 14.3846 14.4043 k = 0.0000 0.1500 0.4918 ( 2466 PWs) bands (ev): -46.4236 -46.4236 -24.0507 -24.0483 -22.0553 -22.0512 -21.8899 -21.8896 -19.0241 -19.0240 -8.6516 -8.6452 -8.2163 -8.2144 -7.6010 -7.5979 -2.7126 -2.7111 -2.4739 -2.4736 -2.4142 -2.4130 3.2817 3.2836 4.8554 4.8677 5.4443 5.4484 5.8310 5.8629 6.2110 6.2180 6.6353 6.6488 7.1674 7.1690 7.2611 7.2657 7.2938 7.2972 10.6852 10.6855 12.5922 12.5944 12.6607 12.6980 14.4502 14.4688 k = 0.0000 0.1625 0.4918 ( 2462 PWs) bands (ev): -46.4234 -46.4234 -24.0517 -24.0492 -22.0564 -22.0520 -21.8922 -21.8917 -19.0237 -19.0236 -8.6385 -8.6321 -8.1957 -8.1932 -7.6028 -7.5994 -2.7134 -2.7118 -2.4739 -2.4734 -2.4174 -2.4161 3.2812 3.2832 4.7856 4.7978 5.4374 5.4418 5.7471 5.7778 6.1878 6.1944 6.6526 6.6655 7.1398 7.1418 7.2599 7.2620 7.3207 7.3217 10.7718 10.7722 12.5989 12.5993 12.6730 12.7121 14.5135 14.5309 k = 0.0000 0.1750 0.4918 ( 2462 PWs) bands (ev): -46.4233 -46.4233 -24.0528 -24.0501 -22.0575 -22.0529 -21.8945 -21.8940 -19.0234 -19.0233 -8.6257 -8.6193 -8.1730 -8.1699 -7.6047 -7.6009 -2.7144 -2.7126 -2.4739 -2.4733 -2.4206 -2.4193 3.2806 3.2828 4.7163 4.7285 5.4301 5.4348 5.6564 5.6861 6.1630 6.1695 6.6692 6.6816 7.1125 7.1148 7.2306 7.2316 7.3783 7.3784 10.8609 10.8614 12.6041 12.6046 12.6894 12.7296 14.5737 14.5898 k = 0.0000 0.1875 0.4918 ( 2466 PWs) bands (ev): -46.4233 -46.4233 -24.0539 -24.0511 -22.0587 -22.0539 -21.8969 -21.8963 -19.0230 -19.0229 -8.6134 -8.6070 -8.1482 -8.1443 -7.6066 -7.6024 -2.7155 -2.7136 -2.4740 -2.4732 -2.4238 -2.4226 3.2800 3.2823 4.6478 4.6598 5.4221 5.4276 5.5602 5.5886 6.1369 6.1432 6.6853 6.6972 7.0879 7.0906 7.2020 7.2027 7.4358 7.4362 10.9518 10.9525 12.6084 12.6092 12.7101 12.7504 14.6305 14.6453 k = 0.0000 0.2000 0.4918 ( 2460 PWs) bands (ev): -46.4232 -46.4232 -24.0550 -24.0522 -22.0600 -22.0549 -21.8993 -21.8986 -19.0226 -19.0225 -8.6015 -8.5953 -8.1213 -8.1167 -7.6085 -7.6040 -2.7165 -2.7145 -2.4741 -2.4731 -2.4269 -2.4257 3.2792 3.2817 4.5801 4.5921 5.4110 5.4197 5.4622 5.4870 6.1095 6.1157 6.7010 6.7126 7.0663 7.0694 7.1748 7.1755 7.4926 7.4930 11.0442 11.0450 12.6123 12.6130 12.7348 12.7747 14.6835 14.6969 k = 0.0000 0.2125 0.4918 ( 2468 PWs) bands (ev): -46.4232 -46.4232 -24.0561 -24.0533 -22.0613 -22.0561 -21.9017 -21.9009 -19.0223 -19.0221 -8.5903 -8.5842 -8.0925 -8.0871 -7.6105 -7.6055 -2.7177 -2.7155 -2.4745 -2.4733 -2.4298 -2.4288 3.2783 3.2810 4.5136 4.5255 5.3476 5.3784 5.4129 5.4152 6.0810 6.0871 6.7163 6.7277 7.0476 7.0510 7.1492 7.1499 7.5480 7.5484 11.1373 11.1384 12.6157 12.6160 12.7631 12.8022 14.7325 14.7446 k = 0.0000 0.2250 0.4918 ( 2468 PWs) bands (ev): -46.4231 -46.4231 -24.0573 -24.0544 -22.0627 -22.0573 -21.9041 -21.9032 -19.0219 -19.0217 -8.5797 -8.5739 -8.0620 -8.0557 -7.6125 -7.6070 -2.7190 -2.7166 -2.4751 -2.4735 -2.4326 -2.4317 3.2773 3.2802 4.4483 4.4601 5.2426 5.2719 5.4027 5.4062 6.0516 6.0578 6.7314 6.7425 7.0315 7.0353 7.1255 7.1262 7.6016 7.6019 11.2309 11.2321 12.6186 12.6188 12.7947 12.8327 14.7775 14.7884 k = 0.0000 0.2375 0.4918 ( 2468 PWs) bands (ev): -46.4230 -46.4230 -24.0584 -24.0555 -22.0642 -22.0586 -21.9064 -21.9055 -19.0214 -19.0213 -8.5698 -8.5643 -8.0300 -8.0228 -7.6144 -7.6085 -2.7202 -2.7178 -2.4759 -2.4740 -2.4350 -2.4343 3.2762 3.2792 4.3842 4.3959 5.1346 5.1630 5.3944 5.3985 6.0216 6.0277 6.7462 6.7572 7.0177 7.0219 7.1036 7.1042 7.6530 7.6534 11.3244 11.3258 12.6209 12.6217 12.8292 12.8660 14.8187 14.8283 k = 0.0000 0.2500 0.4918 ( 2472 PWs) bands (ev): -46.4230 -46.4230 -24.0596 -24.0567 -22.0656 -22.0600 -21.9087 -21.9077 -19.0210 -19.0209 -8.5606 -8.5554 -7.9968 -7.9887 -7.6163 -7.6098 -2.7216 -2.7190 -2.4770 -2.4747 -2.4371 -2.4367 3.2748 3.2781 4.3215 4.3331 5.0262 5.0541 5.3864 5.3908 5.9911 5.9972 6.7608 6.7716 7.0059 7.0105 7.0834 7.0840 7.7022 7.7025 11.4173 11.4190 12.6229 12.6243 12.8663 12.9019 14.8560 14.8646 k = 0.0000 0.2625 0.4918 ( 2468 PWs) bands (ev): -46.4228 -46.4228 -24.0608 -24.0579 -22.0672 -22.0615 -21.9110 -21.9099 -19.0206 -19.0205 -8.5520 -8.5471 -7.9627 -7.9536 -7.6181 -7.6109 -2.7229 -2.7202 -2.4783 -2.4757 -2.4388 -2.4386 3.2732 3.2766 4.2602 4.2716 4.9188 4.9461 5.3787 5.3833 5.9604 5.9666 6.7750 6.7858 6.9958 7.0009 7.0649 7.0655 7.7489 7.7491 11.5092 11.5112 12.6247 12.6267 12.9057 12.9399 14.8899 14.8975 k = 0.0000 0.2750 0.4918 ( 2460 PWs) bands (ev): -46.4226 -46.4226 -24.0619 -24.0590 -22.0687 -22.0630 -21.9131 -21.9119 -19.0202 -19.0201 -8.5441 -8.5395 -7.9281 -7.9178 -7.6198 -7.6117 -2.7242 -2.7215 -2.4800 -2.4770 -2.4401 -2.4401 3.2714 3.2750 4.2002 4.2114 4.8134 4.8402 5.3712 5.3759 5.9298 5.9359 6.7889 6.7996 6.9873 6.9928 7.0482 7.0487 7.7931 7.7932 11.5998 11.6021 12.6264 12.6290 12.9470 12.9798 14.9205 14.9272 k = 0.0000 0.2875 0.4918 ( 2464 PWs) bands (ev): -46.4226 -46.4226 -24.0631 -24.0602 -22.0702 -22.0646 -21.9152 -21.9140 -19.0198 -19.0197 -8.5368 -8.5325 -7.8933 -7.8818 -7.6212 -7.6122 -2.7256 -2.7228 -2.4819 -2.4787 -2.4413 -2.4410 3.2691 3.2729 4.1415 4.1525 4.7112 4.7374 5.3638 5.3687 5.8993 5.9055 6.8024 6.8131 6.9799 6.9859 7.0330 7.0334 7.8345 7.8346 11.6885 11.6912 12.6280 12.6312 12.9898 13.0211 14.9479 14.9538 k = 0.0000 0.3000 0.4918 ( 2468 PWs) bands (ev): -46.4225 -46.4225 -24.0642 -24.0614 -22.0718 -22.0662 -21.9171 -21.9159 -19.0194 -19.0193 -8.5301 -8.5261 -7.8588 -7.8460 -7.6223 -7.6122 -2.7270 -2.7241 -2.4840 -2.4806 -2.4420 -2.4415 3.2665 3.2705 4.0841 4.0948 4.6130 4.6386 5.3568 5.3617 5.8694 5.8756 6.8155 6.8263 6.9736 6.9802 7.0193 7.0196 7.8733 7.8733 11.7749 11.7779 12.6295 12.6332 13.0337 13.0636 14.9726 14.9777 k = 0.0000 0.3125 0.4918 ( 2468 PWs) bands (ev): -46.4225 -46.4225 -24.0652 -24.0625 -22.0733 -22.0678 -21.9189 -21.9177 -19.0190 -19.0189 -8.5239 -8.5202 -7.8252 -7.8108 -7.6230 -7.6114 -2.7284 -2.7255 -2.4863 -2.4827 -2.4424 -2.4418 3.2634 3.2675 4.0281 4.0382 4.5199 4.5446 5.3500 5.3550 5.8402 5.8463 6.8280 6.8389 6.9682 6.9754 7.0071 7.0072 7.9094 7.9094 11.8586 11.8621 12.6309 12.6352 13.0784 13.1068 14.9946 14.9990 k = 0.0000 0.3250 0.4918 ( 2458 PWs) bands (ev): -46.4222 -46.4222 -24.0662 -24.0636 -22.0748 -22.0694 -21.9207 -21.9194 -19.0186 -19.0185 -8.5182 -8.5148 -7.7929 -7.7768 -7.6228 -7.6096 -2.7297 -2.7267 -2.4886 -2.4849 -2.4425 -2.4418 3.2596 3.2639 3.9734 3.9829 4.4327 4.4564 5.3437 5.3487 5.8119 5.8179 6.8400 6.8511 6.9634 6.9715 6.9961 6.9963 7.9427 7.9428 11.9392 11.9431 12.6323 12.6371 13.1235 13.1502 15.0143 15.0181 k = 0.0000 0.3375 0.4918 ( 2456 PWs) bands (ev): -46.4221 -46.4221 -24.0672 -24.0647 -22.0762 -22.0711 -21.9222 -21.9210 -19.0183 -19.0182 -8.5130 -8.5099 -7.7630 -7.7448 -7.6214 -7.6063 -2.7309 -2.7280 -2.4910 -2.4873 -2.4423 -2.4416 3.2552 3.2595 3.9202 3.9289 4.3521 4.3744 5.3377 5.3426 5.7847 5.7905 6.8514 6.8627 6.9592 6.9681 6.9863 6.9869 7.9734 7.9735 12.0163 12.0207 12.6336 12.6390 13.1684 13.1935 15.0318 15.0351 k = 0.0000 0.3500 0.4918 ( 2454 PWs) bands (ev): -46.4220 -46.4220 -24.0682 -24.0658 -22.0776 -22.0727 -21.9237 -21.9225 -19.0179 -19.0178 -8.5083 -8.5054 -7.7362 -7.7162 -7.6176 -7.6006 -2.7322 -2.7293 -2.4933 -2.4896 -2.4420 -2.4413 3.2498 3.2542 3.8687 3.8764 4.2785 4.2993 5.3321 5.3370 5.7587 5.7644 6.8621 6.8737 6.9552 6.9652 6.9778 6.9788 8.0015 8.0016 12.0895 12.0944 12.6348 12.6408 13.2126 13.2361 15.0473 15.0501 k = 0.0000 0.3625 0.4918 ( 2462 PWs) bands (ev): -46.4221 -46.4221 -24.0690 -24.0668 -22.0790 -22.0743 -21.9250 -21.9239 -19.0176 -19.0175 -8.5039 -8.5013 -7.7138 -7.6930 -7.6099 -7.5920 -2.7333 -2.7306 -2.4955 -2.4920 -2.4416 -2.4409 3.2435 3.2479 3.8194 3.8259 4.2122 4.2313 5.3270 5.3318 5.7342 5.7397 6.8719 6.8839 6.9514 6.9625 6.9707 6.9722 8.0270 8.0271 12.1582 12.1638 12.6359 12.6426 13.2557 13.2775 15.0610 15.0634 k = 0.0000 0.3750 0.4918 ( 2462 PWs) bands (ev): -46.4220 -46.4220 -24.0698 -24.0677 -22.0802 -22.0759 -21.9263 -21.9251 -19.0173 -19.0172 -8.5000 -8.4977 -7.6966 -7.6769 -7.5966 -7.5797 -2.7344 -2.7318 -2.4977 -2.4942 -2.4411 -2.4404 3.2361 3.2405 3.7728 3.7781 4.1533 4.1706 5.3224 5.3270 5.7112 5.7165 6.8809 6.8933 6.9478 6.9593 6.9655 6.9668 8.0499 8.0501 12.2224 12.2286 12.6371 12.6443 13.2973 13.3173 15.0730 15.0750 k = 0.0000 0.3875 0.4918 ( 2462 PWs) bands (ev): -46.4219 -46.4219 -24.0706 -24.0686 -22.0814 -22.0773 -21.9273 -21.9263 -19.0170 -19.0169 -8.4965 -8.4944 -7.6845 -7.6677 -7.5783 -7.5642 -2.7354 -2.7329 -2.4996 -2.4963 -2.4406 -2.4399 3.2276 3.2318 3.7295 3.7337 4.1016 4.1169 5.3183 5.3227 5.6900 5.6950 6.8890 6.9018 6.9444 6.9553 6.9626 6.9627 8.0704 8.0706 12.2815 12.2884 12.6382 12.6461 13.3368 13.3549 15.0835 15.0852 k = 0.0000 0.4000 0.4918 ( 2458 PWs) bands (ev): -46.4218 -46.4218 -24.0712 -24.0695 -22.0824 -22.0787 -21.9283 -21.9273 -19.0168 -19.0167 -8.4934 -8.4915 -7.6764 -7.6630 -7.5576 -7.5467 -2.7363 -2.7340 -2.5013 -2.4983 -2.4400 -2.4394 3.2179 3.2219 3.6903 3.6935 4.0567 4.0701 5.3147 5.3188 5.6706 5.6753 6.8959 6.9091 6.9414 6.9513 6.9595 6.9610 8.0886 8.0887 12.3352 12.3428 12.6393 12.6478 13.3738 13.3901 15.0926 15.0940 k = 0.0000 0.4125 0.4918 ( 2458 PWs) bands (ev): -46.4218 -46.4218 -24.0718 -24.0702 -22.0833 -22.0800 -21.9291 -21.9282 -19.0165 -19.0165 -8.4906 -8.4890 -7.6712 -7.6607 -7.5369 -7.5288 -2.7371 -2.7350 -2.5029 -2.5002 -2.4395 -2.4389 3.2074 3.2110 3.6557 3.6580 4.0182 4.0297 5.3116 5.3155 5.6532 5.6575 6.9018 6.9148 6.9394 6.9481 6.9571 6.9600 8.1044 8.1046 12.3832 12.3914 12.6405 12.6495 13.4078 13.4221 15.1004 15.1015 k = 0.0000 0.4250 0.4918 ( 2464 PWs) bands (ev): -46.4218 -46.4218 -24.0723 -24.0709 -22.0841 -22.0812 -21.9298 -21.9290 -19.0163 -19.0163 -8.4882 -8.4869 -7.6678 -7.6597 -7.5176 -7.5116 -2.7377 -2.7359 -2.5042 -2.5018 -2.4390 -2.4385 3.1963 3.1995 3.6261 3.6277 3.9858 3.9955 5.3091 5.3125 5.6380 5.6418 6.9063 6.9184 6.9390 6.9458 6.9553 6.9594 8.1180 8.1181 12.4252 12.4339 12.6418 12.6512 13.4384 13.4508 15.1069 15.1078 k = 0.0000 0.4375 0.4918 ( 2464 PWs) bands (ev): -46.4218 -46.4218 -24.0727 -24.0715 -22.0847 -22.0823 -21.9304 -21.9297 -19.0162 -19.0161 -8.4862 -8.4851 -7.6655 -7.6594 -7.5004 -7.4960 -2.7383 -2.7367 -2.5054 -2.5033 -2.4385 -2.4381 3.1852 3.1879 3.6017 3.6028 3.9590 3.9669 5.3070 5.3100 5.6249 5.6282 6.9097 6.9196 6.9404 6.9444 6.9540 6.9589 8.1293 8.1295 12.4611 12.4699 12.6433 12.6528 13.4652 13.4755 15.1124 15.1131 k = 0.0000 0.4500 0.4918 ( 2456 PWs) bands (ev): -46.4216 -46.4216 -24.0730 -24.0721 -22.0852 -22.0832 -21.9308 -21.9303 -19.0160 -19.0160 -8.4845 -8.4836 -7.6640 -7.6594 -7.4858 -7.4827 -2.7387 -2.7374 -2.5062 -2.5045 -2.4381 -2.4377 3.1748 3.1770 3.5823 3.5830 3.9376 3.9439 5.3055 5.3079 5.6141 5.6169 6.9120 6.9193 6.9428 6.9440 6.9531 6.9585 8.1386 8.1387 12.4906 12.4991 12.6452 12.6543 13.4878 13.4961 15.1167 15.1173 k = 0.0000 0.4625 0.4918 ( 2460 PWs) bands (ev): -46.4217 -46.4217 -24.0732 -24.0725 -22.0855 -22.0840 -21.9311 -21.9307 -19.0159 -19.0159 -8.4832 -8.4825 -7.6629 -7.6596 -7.4742 -7.4720 -2.7390 -2.7380 -2.5069 -2.5056 -2.4377 -2.4375 3.1657 3.1674 3.5678 3.5682 3.9214 3.9260 5.3044 5.3063 5.6058 5.6079 6.9134 6.9184 6.9441 6.9450 6.9528 6.9581 8.1457 8.1458 12.5137 12.5213 12.6474 12.6554 13.5059 13.5122 15.1201 15.1205 k = 0.0000 0.4750 0.4918 ( 2460 PWs) bands (ev): -46.4216 -46.4216 -24.0733 -24.0728 -22.0857 -22.0847 -21.9313 -21.9311 -19.0158 -19.0158 -8.4822 -8.4818 -7.6620 -7.6599 -7.4657 -7.4643 -2.7391 -2.7385 -2.5072 -2.5064 -2.4375 -2.4373 3.1588 3.1599 3.5577 3.5580 3.9101 3.9131 5.3037 5.3050 5.5999 5.6013 6.9143 6.9174 6.9447 6.9462 6.9533 6.9575 8.1508 8.1508 12.5306 12.5364 12.6499 12.6559 13.5194 13.5235 15.1225 15.1227 k = 0.0000 0.4875 0.4918 ( 2464 PWs) bands (ev): -46.4217 -46.4217 -24.0733 -24.0731 -22.0857 -22.0852 -21.9315 -21.9313 -19.0158 -19.0158 -8.4816 -8.4814 -7.6614 -7.6604 -7.4604 -7.4597 -2.7392 -2.7388 -2.5074 -2.5070 -2.4373 -2.4372 3.1545 3.1551 3.5518 3.5519 3.9036 3.9051 5.3034 5.3041 5.5964 5.5972 6.9150 6.9165 6.9453 6.9464 6.9545 6.9568 8.1538 8.1539 12.5414 12.5445 12.6524 12.6556 13.5279 13.5300 15.1239 15.1240 k = 0.0000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4216 -46.4216 -24.0733 -24.0733 -22.0855 -22.0855 -21.9314 -21.9314 -19.0157 -19.0157 -8.4813 -8.4813 -7.6608 -7.6608 -7.4584 -7.4584 -2.7390 -2.7390 -2.5073 -2.5073 -2.4372 -2.4372 3.1533 3.1533 3.5499 3.5499 3.9020 3.9020 5.3036 5.3036 5.5955 5.5955 6.9157 6.9157 6.9460 6.9460 6.9557 6.9557 8.1548 8.1548 12.5461 12.5461 12.6544 12.6544 13.5315 13.5315 15.1244 15.1244 k = 0.0000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4216 -46.4216 -24.0733 -24.0733 -22.0855 -22.0855 -21.9314 -21.9314 -19.0157 -19.0157 -8.4813 -8.4813 -7.6608 -7.6608 -7.4584 -7.4584 -2.7390 -2.7390 -2.5073 -2.5073 -2.4372 -2.4372 3.1533 3.1533 3.5499 3.5499 3.9020 3.9020 5.3036 5.3036 5.5955 5.5955 6.9157 6.9157 6.9460 6.9460 6.9557 6.9557 8.1548 8.1548 12.5461 12.5461 12.6544 12.6544 13.5315 13.5315 15.1244 15.1244 k = 0.0125 0.5000 0.4918 ( 2464 PWs) bands (ev): -46.4217 -46.4217 -24.0734 -24.0732 -22.0856 -22.0854 -21.9317 -21.9315 -19.0157 -19.0157 -8.4803 -8.4793 -7.6610 -7.6604 -7.4583 -7.4582 -2.7402 -2.7387 -2.5078 -2.5075 -2.4387 -2.4368 3.1533 3.1533 3.5498 3.5499 3.9029 3.9030 5.3002 5.3011 5.5918 5.5918 6.9120 6.9137 6.9445 6.9480 6.9596 6.9599 8.1549 8.1549 12.5462 12.5480 12.6535 12.6559 13.5314 13.5318 15.1303 15.1343 k = 0.0250 0.5000 0.4918 ( 2464 PWs) bands (ev): -46.4217 -46.4217 -24.0737 -24.0732 -22.0856 -22.0854 -21.9323 -21.9318 -19.0157 -19.0157 -8.4765 -8.4744 -7.6610 -7.6597 -7.4580 -7.4578 -2.7420 -2.7391 -2.5091 -2.5084 -2.4411 -2.4373 3.1533 3.1534 3.5497 3.5499 3.9056 3.9058 5.2910 5.2928 5.5808 5.5808 6.8984 6.8993 6.9503 6.9548 6.9714 6.9719 8.1550 8.1551 12.5483 12.5520 12.6533 12.6581 13.5317 13.5325 15.1518 15.1598 k = 0.0375 0.5000 0.4918 ( 2460 PWs) bands (ev): -46.4216 -46.4216 -24.0740 -24.0733 -22.0857 -22.0853 -21.9332 -21.9325 -19.0155 -19.0155 -8.4697 -8.4666 -7.6607 -7.6588 -7.4575 -7.4572 -2.7446 -2.7403 -2.5111 -2.5100 -2.4445 -2.4389 3.1534 3.1536 3.5496 3.5499 3.9101 3.9104 5.2764 5.2790 5.5630 5.5631 6.8698 6.8709 6.9659 6.9700 6.9910 6.9916 8.1553 8.1554 12.5524 12.5581 12.6542 12.6609 13.5324 13.5336 15.1887 15.2002 k = 0.0500 0.5000 0.4918 ( 2460 PWs) bands (ev): -46.4216 -46.4216 -24.0744 -24.0735 -22.0858 -22.0852 -21.9344 -21.9335 -19.0154 -19.0154 -8.4600 -8.4560 -7.6601 -7.6577 -7.4568 -7.4564 -2.7479 -2.7422 -2.5138 -2.5123 -2.4489 -2.4414 3.1536 3.1538 3.5494 3.5498 3.9164 3.9169 5.2565 5.2600 5.5391 5.5392 6.8274 6.8305 6.9885 6.9922 7.0180 7.0187 8.1557 8.1558 12.5583 12.5663 12.6566 12.6646 13.5334 13.5350 15.2401 15.2550 k = 0.0625 0.5000 0.4918 ( 2460 PWs) bands (ev): -46.4215 -46.4215 -24.0749 -24.0738 -22.0858 -22.0851 -21.9358 -21.9348 -19.0152 -19.0152 -8.4475 -8.4425 -7.6594 -7.6563 -7.4558 -7.4553 -2.7519 -2.7448 -2.5171 -2.5153 -2.4542 -2.4449 3.1538 3.1540 3.5492 3.5497 3.9245 3.9250 5.2321 5.2364 5.5098 5.5100 6.7737 6.7784 7.0167 7.0202 7.0517 7.0523 8.1562 8.1563 12.5661 12.5766 12.6607 12.6694 13.5347 13.5367 15.3051 15.3228 k = 0.0750 0.5000 0.4918 ( 2464 PWs) bands (ev): -46.4216 -46.4216 -24.0754 -24.0741 -22.0859 -22.0850 -21.9376 -21.9363 -19.0149 -19.0149 -8.4323 -8.4262 -7.6584 -7.6546 -7.4546 -7.4541 -2.7566 -2.7481 -2.5212 -2.5190 -2.4604 -2.4493 3.1541 3.1544 3.5489 3.5495 3.9343 3.9349 5.2035 5.2085 5.4762 5.4764 6.7095 6.7157 7.0496 7.0529 7.0911 7.0917 8.1567 8.1569 12.5757 12.5890 12.6671 12.6756 13.5363 13.5387 15.3826 15.4027 k = 0.0875 0.5000 0.4918 ( 2460 PWs) bands (ev): -46.4215 -46.4215 -24.0760 -24.0746 -22.0859 -22.0849 -21.9396 -21.9382 -19.0147 -19.0147 -8.4144 -8.4073 -7.6572 -7.6528 -7.4532 -7.4526 -2.7620 -2.7521 -2.5259 -2.5233 -2.4674 -2.4545 3.1545 3.1547 3.5485 3.5492 3.9457 3.9464 5.1713 5.1771 5.4391 5.4393 6.6356 6.6434 7.0865 7.0896 7.1353 7.1359 8.1574 8.1576 12.5871 12.6036 12.6760 12.6838 13.5382 13.5410 15.4713 15.4932 k = 0.1000 0.5000 0.4918 ( 2464 PWs) bands (ev): -46.4215 -46.4215 -24.0767 -24.0751 -22.0860 -22.0848 -21.9419 -21.9403 -19.0143 -19.0143 -8.3938 -8.3857 -7.6558 -7.6507 -7.4517 -7.4509 -2.7680 -2.7569 -2.5312 -2.5282 -2.4753 -2.4607 3.1548 3.1551 3.5480 3.5488 3.9586 3.9594 5.1362 5.1426 5.3992 5.3994 6.5532 6.5624 7.1269 7.1298 7.1834 7.1840 8.1582 8.1584 12.6003 12.6201 12.6877 12.6940 13.5404 13.5436 15.5698 15.5931 k = 0.1125 0.5000 0.4918 ( 2464 PWs) bands (ev): -46.4214 -46.4214 -24.0775 -24.0756 -22.0860 -22.0848 -21.9444 -21.9427 -19.0140 -19.0140 -8.3708 -8.3616 -7.6542 -7.6483 -7.4499 -7.4491 -2.7745 -2.7622 -2.5371 -2.5337 -2.4839 -2.4676 3.1553 3.1556 3.5473 3.5482 3.9731 3.9739 5.0984 5.1055 5.3572 5.3574 6.4630 6.4736 7.1701 7.1729 7.2346 7.2351 8.1590 8.1592 12.6154 12.6387 12.7025 12.7067 13.5429 13.5465 15.6767 15.7008 k = 0.1250 0.5000 0.4918 ( 2468 PWs) bands (ev): -46.4214 -46.4214 -24.0783 -24.0763 -22.0861 -22.0847 -21.9472 -21.9453 -19.0136 -19.0136 -8.3454 -8.3351 -7.6524 -7.6458 -7.4480 -7.4471 -2.7816 -2.7681 -2.5435 -2.5398 -2.4931 -2.4753 3.1557 3.1561 3.5465 3.5475 3.9889 3.9898 5.0586 5.0663 5.3138 5.3140 6.3662 6.3781 7.2156 7.2182 7.2881 7.2886 8.1600 8.1602 12.6325 12.6592 12.7202 12.7220 13.5455 13.5496 15.7904 15.8149 k = 0.1375 0.5000 0.4918 ( 2460 PWs) bands (ev): -46.4212 -46.4212 -24.0792 -24.0770 -22.0861 -22.0846 -21.9501 -21.9481 -19.0132 -19.0132 -8.3177 -8.3063 -7.6505 -7.6430 -7.4458 -7.4448 -2.7892 -2.7746 -2.5505 -2.5464 -2.5029 -2.4836 3.1562 3.1567 3.5454 3.5465 4.0059 4.0069 5.0171 5.0254 5.2695 5.2697 6.2639 6.2770 7.2629 7.2653 7.3433 7.3438 8.1610 8.1613 12.6518 12.6816 12.7402 12.7408 13.5485 13.5530 15.9096 15.9339 k = 0.1500 0.5000 0.4918 ( 2452 PWs) bands (ev): -46.4210 -46.4210 -24.0801 -24.0778 -22.0862 -22.0845 -21.9532 -21.9511 -19.0127 -19.0127 -8.2878 -8.2754 -7.6483 -7.6400 -7.4436 -7.4425 -2.7972 -2.7817 -2.5579 -2.5534 -2.5133 -2.4925 3.1568 3.1572 3.5441 3.5453 4.0241 4.0252 4.9742 4.9830 5.2247 5.2249 6.1569 6.1713 7.3114 7.3137 7.3997 7.4001 8.1621 8.1624 12.6734 12.7060 12.7612 12.7643 13.5517 13.5567 16.0325 16.0562 k = 0.1625 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4208 -46.4208 -24.0810 -24.0786 -22.0862 -22.0844 -21.9564 -21.9543 -19.0122 -19.0122 -8.2561 -8.2425 -7.6461 -7.6368 -7.4411 -7.4400 -2.8057 -2.7892 -2.5657 -2.5609 -2.5242 -2.5020 3.1574 3.1579 3.5425 3.5439 4.0434 4.0445 4.9301 4.9395 5.1798 5.1800 6.0465 6.0621 7.3608 7.3629 7.4567 7.4571 8.1632 8.1636 12.6973 12.7322 12.7852 12.7905 13.5551 13.5605 16.1575 16.1801 k = 0.1750 0.5000 0.4918 ( 2448 PWs) bands (ev): -46.4208 -46.4208 -24.0821 -24.0795 -22.0863 -22.0844 -21.9598 -21.9576 -19.0117 -19.0117 -8.2225 -8.2078 -7.6436 -7.6334 -7.4386 -7.4373 -2.8145 -2.7972 -2.5740 -2.5687 -2.5355 -2.5121 3.1580 3.1585 3.5405 3.5420 4.0636 4.0647 4.8851 4.8950 5.1351 5.1353 5.9338 5.9505 7.4107 7.4126 7.5139 7.5144 8.1645 8.1649 12.7236 12.7604 12.8119 12.8192 13.5587 13.5645 16.2829 16.3038 k = 0.1875 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4207 -46.4207 -24.0831 -24.0805 -22.0864 -22.0843 -21.9632 -21.9611 -19.0112 -19.0112 -8.1873 -8.1714 -7.6411 -7.6297 -7.4359 -7.4345 -2.8236 -2.8055 -2.5825 -2.5769 -2.5470 -2.5225 3.1586 3.1592 3.5381 3.5397 4.0845 4.0857 4.8392 4.8496 5.0909 5.0912 5.8197 5.8375 7.4606 7.4623 7.5710 7.5715 8.1657 8.1662 12.7524 12.7904 12.8412 12.8503 13.5624 13.5687 16.4067 16.4254 k = 0.2000 0.5000 0.4918 ( 2448 PWs) bands (ev): -46.4206 -46.4206 -24.0842 -24.0815 -22.0865 -22.0843 -21.9668 -21.9646 -19.0107 -19.0107 -8.1508 -8.1335 -7.6384 -7.6259 -7.4331 -7.4317 -2.8329 -2.8142 -2.5914 -2.5853 -2.5589 -2.5333 3.1593 3.1599 3.5351 3.5368 4.1062 4.1074 4.7925 4.8035 5.0475 5.0477 5.7055 5.7243 7.5103 7.5119 7.6276 7.6281 8.1670 8.1676 12.7835 12.8224 12.8731 12.8836 13.5662 13.5731 16.5269 16.5426 k = 0.2125 0.5000 0.4918 ( 2448 PWs) bands (ev): -46.4205 -46.4205 -24.0853 -24.0825 -22.0866 -22.0843 -21.9704 -21.9683 -19.0101 -19.0101 -8.1131 -8.0944 -7.6356 -7.6218 -7.4303 -7.4287 -2.8424 -2.8232 -2.6004 -2.5940 -2.5708 -2.5443 3.1600 3.1606 3.5315 3.5333 4.1283 4.1295 4.7451 4.7564 5.0050 5.0052 5.5922 5.6119 7.5595 7.5609 7.6834 7.6840 8.1684 8.1691 12.8170 12.8563 12.9072 12.9190 13.5701 13.5775 16.6409 16.6531 k = 0.2250 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4204 -46.4204 -24.0864 -24.0836 -22.0868 -22.0843 -21.9740 -21.9719 -19.0095 -19.0095 -8.0744 -8.0543 -7.6327 -7.6174 -7.4273 -7.4256 -2.8521 -2.8324 -2.6096 -2.6028 -2.5829 -2.5556 3.1607 3.1613 3.5271 3.5290 4.1508 4.1521 4.6967 4.7084 4.9636 4.9638 5.4810 5.5015 7.6079 7.6091 7.7381 7.7388 8.1698 8.1705 12.8527 12.8920 12.9434 12.9562 13.5742 13.5821 16.7462 16.7540 k = 0.2375 0.5000 0.4918 ( 2440 PWs) bands (ev): -46.4202 -46.4202 -24.0875 -24.0846 -22.0869 -22.0844 -21.9776 -21.9756 -19.0090 -19.0090 -8.0351 -8.0134 -7.6297 -7.6128 -7.4243 -7.4225 -2.8618 -2.8418 -2.6190 -2.6118 -2.5950 -2.5670 3.1614 3.1620 3.5219 3.5239 4.1736 4.1748 4.6472 4.6591 4.9234 4.9236 5.3732 5.3943 7.6553 7.6564 7.7916 7.7923 8.1712 8.1721 12.8903 12.9294 12.9814 12.9951 13.5783 13.5868 16.8398 16.8426 k = 0.2500 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4202 -46.4202 -24.0886 -24.0857 -22.0871 -22.0844 -21.9812 -21.9793 -19.0084 -19.0084 -7.9955 -7.9719 -7.6266 -7.6078 -7.4213 -7.4194 -2.8715 -2.8514 -2.6284 -2.6208 -2.6070 -2.5784 3.1621 3.1627 3.5155 3.5176 4.1964 4.1977 4.5965 4.6085 4.8845 4.8848 5.2699 5.2914 7.7015 7.7024 7.8435 7.8444 8.1726 8.1736 12.9298 12.9683 13.0209 13.0354 13.5824 13.5916 16.9165 16.9193 k = 0.2625 0.5000 0.4918 ( 2448 PWs) bands (ev): -46.4202 -46.4202 -24.0897 -24.0869 -22.0873 -22.0845 -21.9848 -21.9830 -19.0078 -19.0078 -7.9558 -7.9302 -7.6234 -7.6025 -7.4182 -7.4162 -2.8811 -2.8610 -2.6377 -2.6299 -2.6188 -2.5899 3.1628 3.1635 3.5079 3.5101 4.2192 4.2205 4.5445 4.5563 4.8472 4.8474 5.1724 5.1939 7.7462 7.7469 7.8937 7.8947 8.1740 8.1753 12.9709 13.0087 13.0617 13.0770 13.5865 13.5963 16.9745 16.9829 k = 0.2750 0.5000 0.4918 ( 2452 PWs) bands (ev): -46.4201 -46.4201 -24.0908 -24.0880 -22.0875 -22.0847 -21.9883 -21.9866 -19.0072 -19.0072 -7.9164 -7.8885 -7.6201 -7.5967 -7.4151 -7.4130 -2.8906 -2.8706 -2.6471 -2.6389 -2.6304 -2.6013 3.1635 3.1642 3.4987 3.5010 4.2419 4.2431 4.4910 4.5024 4.8114 4.8115 5.0817 5.1029 7.7893 7.7899 7.9419 7.9432 8.1755 8.1769 13.0132 13.0502 13.1035 13.1196 13.5906 13.6013 17.0165 17.0304 k = 0.2875 0.5000 0.4918 ( 2452 PWs) bands (ev): -46.4200 -46.4200 -24.0919 -24.0891 -22.0878 -22.0849 -21.9917 -21.9901 -19.0067 -19.0067 -7.8778 -7.8472 -7.6165 -7.5903 -7.4120 -7.4097 -2.9000 -2.8801 -2.6563 -2.6478 -2.6417 -2.6126 3.1641 3.1648 3.4879 3.4902 4.2642 4.2654 4.4362 4.4468 4.7772 4.7774 4.9987 5.0192 7.8307 7.8312 7.9880 7.9896 8.1769 8.1787 13.0567 13.0926 13.1460 13.1629 13.5948 13.6062 17.0442 17.0630 k = 0.3000 0.5000 0.4918 ( 2452 PWs) bands (ev): -46.4199 -46.4199 -24.0929 -24.0902 -22.0880 -22.0851 -21.9950 -21.9936 -19.0061 -19.0061 -7.8405 -7.8067 -7.6127 -7.5831 -7.4089 -7.4065 -2.9091 -2.8895 -2.6653 -2.6568 -2.6524 -2.6236 3.1648 3.1655 3.4750 3.4774 4.2860 4.2872 4.3804 4.3899 4.7447 4.7448 4.9238 4.9433 7.8703 7.8706 8.0318 8.0339 8.1783 8.1807 13.1009 13.1355 13.1889 13.2066 13.5990 13.6113 17.0600 17.0829 k = 0.3125 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4197 -46.4197 -24.0939 -24.0913 -22.0883 -22.0853 -21.9981 -21.9969 -19.0056 -19.0056 -7.8049 -7.7675 -7.6084 -7.5749 -7.4057 -7.4032 -2.9178 -2.8988 -2.6740 -2.6658 -2.6624 -2.6343 3.1654 3.1661 3.4599 3.4623 4.3073 4.3084 4.3245 4.3326 4.7139 4.7141 4.8572 4.8753 7.9078 7.9080 8.0730 8.0759 8.1798 8.1829 13.1455 13.1788 13.2318 13.2504 13.6031 13.6165 17.0665 17.0930 k = 0.3250 0.5000 0.4918 ( 2436 PWs) bands (ev): -46.4195 -46.4195 -24.0949 -24.0924 -22.0886 -22.0856 -22.0011 -22.0000 -19.0050 -19.0050 -7.7717 -7.7302 -7.6032 -7.5653 -7.4026 -7.3999 -2.9262 -2.9078 -2.6825 -2.6752 -2.6714 -2.6448 3.1659 3.1667 3.4423 3.4447 4.2692 4.2759 4.3279 4.3290 4.6850 4.6852 4.7986 4.8151 7.9432 7.9434 8.1110 8.1153 8.1814 8.1860 13.1901 13.2220 13.2743 13.2939 13.6073 13.6219 17.0663 17.0956 k = 0.3375 0.5000 0.4918 ( 2440 PWs) bands (ev): -46.4195 -46.4195 -24.0959 -24.0934 -22.0889 -22.0859 -22.0039 -22.0030 -19.0045 -19.0045 -7.7415 -7.6962 -7.5963 -7.5541 -7.3995 -7.3967 -2.9343 -2.9165 -2.6907 -2.6845 -2.6795 -2.6548 3.1664 3.1672 3.4221 3.4245 4.2160 4.2213 4.3477 4.3487 4.6579 4.6581 4.7473 4.7620 7.9765 7.9765 8.1440 8.1516 8.1836 8.1914 13.2344 13.2648 13.3160 13.3367 13.6116 13.6274 17.0612 17.0928 k = 0.3500 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4195 -46.4195 -24.0967 -24.0945 -22.0892 -22.0863 -22.0065 -22.0058 -19.0041 -19.0041 -7.7150 -7.6671 -7.5861 -7.5410 -7.3963 -7.3934 -2.9418 -2.9250 -2.6985 -2.6935 -2.6871 -2.6644 3.1667 3.1676 3.3993 3.4016 4.1660 4.1700 4.3664 4.3674 4.6327 4.6329 4.7025 4.7156 8.0075 8.0075 8.1668 8.1778 8.1933 8.2046 13.2779 13.3066 13.3563 13.3784 13.6160 13.6332 17.0529 17.0863 k = 0.3625 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4194 -46.4194 -24.0976 -24.0954 -22.0896 -22.0867 -22.0090 -22.0084 -19.0036 -19.0036 -7.6925 -7.6454 -7.5707 -7.5259 -7.3931 -7.3900 -2.9489 -2.9330 -2.7058 -2.7019 -2.6941 -2.6735 3.1670 3.1679 3.3742 3.3762 4.1202 4.1230 4.3841 4.3851 4.6094 4.6096 4.6635 4.6749 8.0361 8.0361 8.1766 8.1827 8.2217 8.2281 13.3203 13.3473 13.3948 13.4183 13.6207 13.6395 17.0427 17.0772 k = 0.3750 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4194 -46.4194 -24.0983 -24.0963 -22.0899 -22.0871 -22.0112 -22.0108 -19.0032 -19.0032 -7.6741 -7.6316 -7.5499 -7.5092 -7.3897 -7.3865 -2.9554 -2.9406 -2.7127 -2.7097 -2.7006 -2.6821 3.1671 3.1680 3.3472 3.3489 4.0792 4.0811 4.4007 4.4016 4.5881 4.5882 4.6297 4.6395 8.0624 8.0624 8.1807 8.1844 8.2506 8.2545 13.3611 13.3863 13.4308 13.4559 13.6259 13.6464 17.0313 17.0666 k = 0.3875 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4193 -46.4193 -24.0990 -24.0972 -22.0902 -22.0876 -22.0133 -22.0129 -19.0028 -19.0028 -7.6594 -7.6232 -7.5264 -7.4916 -7.3861 -7.3829 -2.9613 -2.9477 -2.7191 -2.7169 -2.7065 -2.6901 3.1669 3.1678 3.3190 3.3204 4.0435 4.0447 4.4160 4.4168 4.5687 4.5689 4.6003 4.6088 8.0862 8.0863 8.1831 8.1856 8.2772 8.2799 13.3998 13.4232 13.4637 13.4903 13.6319 13.6540 17.0196 17.0550 k = 0.4000 0.5000 0.4918 ( 2444 PWs) bands (ev): -46.4192 -46.4192 -24.0997 -24.0980 -22.0904 -22.0880 -22.0151 -22.0149 -19.0024 -19.0024 -7.6478 -7.6180 -7.5029 -7.4742 -7.3821 -7.3789 -2.9666 -2.9542 -2.7249 -2.7234 -2.7118 -2.6974 3.1663 3.1673 3.2907 3.2917 4.0129 4.0136 4.4299 4.4307 4.5514 4.5515 4.5749 4.5821 8.1076 8.1077 8.1849 8.1867 8.3011 8.3032 13.4360 13.4576 13.4929 13.5207 13.6394 13.6626 17.0081 17.0429 k = 0.4125 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4193 -46.4193 -24.1002 -24.0987 -22.0907 -22.0885 -22.0168 -22.0166 -19.0021 -19.0021 -7.6387 -7.6145 -7.4813 -7.4581 -7.3775 -7.3746 -2.9713 -2.9603 -2.7302 -2.7292 -2.7166 -2.7041 3.1651 3.1662 3.2635 3.2640 3.9874 3.9877 4.4424 4.4431 4.5360 4.5361 4.5533 4.5593 8.1264 8.1266 8.1863 8.1877 8.3223 8.3239 13.4693 13.4890 13.5179 13.5458 13.6488 13.6721 16.9973 17.0307 k = 0.4250 0.5000 0.4918 ( 2448 PWs) bands (ev): -46.4192 -46.4192 -24.1007 -24.0994 -22.0909 -22.0889 -22.0182 -22.0181 -19.0018 -19.0018 -7.6314 -7.6122 -7.4626 -7.4441 -7.3723 -7.3698 -2.9752 -2.9656 -2.7347 -2.7342 -2.7206 -2.7100 3.1628 3.1641 3.2387 3.2389 3.9664 3.9665 4.4534 4.4540 4.5226 4.5228 4.5350 4.5399 8.1427 8.1429 8.1876 8.1886 8.3408 8.3421 13.4992 13.5172 13.5384 13.5653 13.6606 13.6826 16.9877 17.0188 k = 0.4375 0.5000 0.4918 ( 2452 PWs) bands (ev): -46.4192 -46.4192 -24.1011 -24.1000 -22.0910 -22.0894 -22.0194 -22.0193 -19.0016 -19.0016 -7.6257 -7.6105 -7.4471 -7.4330 -7.3664 -7.3646 -2.9785 -2.9704 -2.7387 -2.7385 -2.7240 -2.7153 3.1587 3.1601 3.2180 3.2182 3.9496 3.9496 4.4627 4.4633 4.5113 4.5114 4.5199 4.5238 8.1564 8.1566 8.1888 8.1895 8.3565 8.3574 13.5252 13.5415 13.5547 13.5789 13.6743 13.6933 16.9795 17.0074 k = 0.4500 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1014 -24.1005 -22.0912 -22.0898 -22.0204 -22.0203 -19.0014 -19.0014 -7.6211 -7.6095 -7.4351 -7.4248 -7.3602 -7.3591 -2.9811 -2.9745 -2.7420 -2.7419 -2.7266 -2.7197 3.1521 3.1534 3.2030 3.2035 3.9364 3.9365 4.4705 4.4710 4.5020 4.5022 4.5079 4.5108 8.1672 8.1674 8.1900 8.1906 8.3693 8.3701 13.5469 13.5615 13.5673 13.5882 13.6883 13.7035 16.9730 16.9967 k = 0.4625 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1009 -22.0912 -22.0901 -22.0211 -22.0211 -19.0013 -19.0013 -7.6174 -7.6091 -7.4264 -7.4192 -7.3544 -7.3538 -2.9829 -2.9779 -2.7447 -2.7446 -2.7285 -2.7234 3.1435 3.1446 3.1943 3.1947 3.9266 3.9267 4.4765 4.4770 4.4948 4.4950 4.4988 4.5008 8.1752 8.1754 8.1916 8.1919 8.3793 8.3799 13.5640 13.5744 13.5794 13.5943 13.7011 13.7123 16.9685 16.9872 k = 0.4750 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1017 -24.1012 -22.0912 -22.0905 -22.0217 -22.0217 -19.0011 -19.0011 -7.6145 -7.6091 -7.4204 -7.4159 -7.3496 -7.3495 -2.9839 -2.9806 -2.7466 -2.7465 -2.7297 -2.7263 3.1353 3.1360 3.1898 3.1901 3.9199 3.9200 4.4806 4.4811 4.4895 4.4898 4.4927 4.4937 8.1802 8.1804 8.1934 8.1935 8.3865 8.3869 13.5759 13.5809 13.5906 13.5984 13.7114 13.7187 16.9662 16.9791 k = 0.4875 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1017 -24.1015 -22.0911 -22.0907 -22.0220 -22.0220 -19.0011 -19.0011 -7.6123 -7.6097 -7.4166 -7.4145 -7.3466 -7.3465 -2.9842 -2.9825 -2.7477 -2.7477 -2.7300 -2.7283 3.1297 3.1300 3.1878 3.1880 3.9160 3.9160 4.4829 4.4832 4.4863 4.4867 4.4895 4.4897 8.1827 8.1828 8.1950 8.1951 8.3909 8.3911 13.5827 13.5844 13.5979 13.6009 13.7186 13.7222 16.9662 16.9727 k = 0.5000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1016 -22.0909 -22.0909 -22.0221 -22.0221 -19.0011 -19.0011 -7.6107 -7.6107 -7.4147 -7.4147 -7.3455 -7.3455 -2.9837 -2.9837 -2.7481 -2.7481 -2.7296 -2.7296 3.1278 3.1278 3.1873 3.1873 3.9147 3.9147 4.4836 4.4836 4.4854 4.4854 4.4887 4.4887 8.1834 8.1834 8.1957 8.1957 8.3924 8.3924 13.5852 13.5852 13.6011 13.6011 13.7222 13.7222 16.9684 16.9684 k = 0.5000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1016 -22.0909 -22.0909 -22.0221 -22.0221 -19.0011 -19.0011 -7.6107 -7.6107 -7.4147 -7.4147 -7.3455 -7.3455 -2.9837 -2.9837 -2.7481 -2.7481 -2.7296 -2.7296 3.1278 3.1278 3.1873 3.1873 3.9147 3.9147 4.4836 4.4836 4.4854 4.4854 4.4887 4.4887 8.1834 8.1834 8.1957 8.1957 8.3924 8.3924 13.5852 13.5852 13.6011 13.6011 13.7222 13.7222 16.9684 16.9684 k = 0.4911 0.4911 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1017 -24.1015 -22.0911 -22.0907 -22.0220 -22.0220 -19.0011 -19.0011 -7.6124 -7.6097 -7.4166 -7.4145 -7.3466 -7.3466 -2.9842 -2.9825 -2.7477 -2.7476 -2.7300 -2.7283 3.1298 3.1301 3.1878 3.1880 3.9160 3.9160 4.4833 4.4833 4.4863 4.4865 4.4895 4.4895 8.1827 8.1828 8.1950 8.1950 8.3909 8.3910 13.5828 13.5843 13.5980 13.6006 13.7185 13.7221 16.9662 16.9728 k = 0.4821 0.4821 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1017 -24.1012 -22.0912 -22.0905 -22.0217 -22.0217 -19.0011 -19.0011 -7.6146 -7.6091 -7.4202 -7.4159 -7.3498 -7.3498 -2.9839 -2.9805 -2.7466 -2.7464 -2.7297 -2.7262 3.1360 3.1366 3.1895 3.1898 3.9199 3.9200 4.4825 4.4830 4.4889 4.4891 4.4919 4.4922 8.1805 8.1807 8.1930 8.1931 8.3864 8.3868 13.5768 13.5802 13.5919 13.5966 13.7112 13.7184 16.9665 16.9792 k = 0.4732 0.4732 0.4918 ( 2458 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1009 -22.0912 -22.0901 -22.0211 -22.0211 -19.0013 -19.0013 -7.6174 -7.6091 -7.4256 -7.4189 -7.3551 -7.3550 -2.9828 -2.9778 -2.7449 -2.7443 -2.7286 -2.7231 3.1464 3.1474 3.1923 3.1927 3.9266 3.9267 4.4817 4.4828 4.4922 4.4930 4.4966 4.4971 8.1767 8.1770 8.1899 8.1900 8.3791 8.3797 13.5665 13.5728 13.5832 13.5890 13.7003 13.7111 16.9696 16.9876 k = 0.4643 0.4643 0.4918 ( 2458 PWs) bands (ev): -46.4192 -46.4192 -24.1013 -24.1005 -22.0912 -22.0897 -22.0203 -22.0203 -19.0014 -19.0014 -7.6209 -7.6097 -7.4327 -7.4235 -7.3625 -7.3623 -2.9810 -2.9745 -2.7425 -2.7413 -2.7268 -2.7192 3.1610 3.1623 3.1961 3.1966 3.9358 3.9360 4.4808 4.4825 4.4966 4.4979 4.5037 4.5043 8.1712 8.1715 8.1859 8.1859 8.3690 8.3697 13.5516 13.5619 13.5723 13.5781 13.6862 13.7005 16.9756 16.9979 k = 0.4554 0.4554 0.4918 ( 2450 PWs) bands (ev): -46.4192 -46.4192 -24.1010 -24.0999 -22.0910 -22.0892 -22.0193 -22.0193 -19.0016 -19.0016 -7.6251 -7.6107 -7.4416 -7.4295 -7.3719 -7.3714 -2.9783 -2.9704 -2.7396 -2.7374 -2.7243 -2.7143 3.1797 3.1814 3.2009 3.2015 3.9478 3.9479 4.4799 4.4823 4.5023 4.5039 4.5130 4.5136 8.1637 8.1640 8.1811 8.1812 8.3561 8.3571 13.5321 13.5468 13.5594 13.5645 13.6691 13.6868 16.9847 17.0103 k = 0.4464 0.4464 0.4918 ( 2450 PWs) bands (ev): -46.4192 -46.4192 -24.1006 -24.0993 -22.0909 -22.0887 -22.0181 -22.0181 -19.0019 -19.0019 -7.6301 -7.6124 -7.4523 -7.4368 -7.3833 -7.3824 -2.9750 -2.9657 -2.7361 -2.7327 -2.7211 -2.7084 3.2022 3.2044 3.2067 3.2071 3.9623 3.9624 4.4793 4.4823 4.5093 4.5112 4.5245 4.5251 8.1543 8.1546 8.1755 8.1759 8.3406 8.3417 13.5080 13.5268 13.5443 13.5488 13.6493 13.6702 16.9968 17.0248 k = 0.4375 0.4375 0.4918 ( 2454 PWs) bands (ev): -46.4193 -46.4193 -24.1002 -24.0986 -22.0906 -22.0881 -22.0167 -22.0167 -19.0022 -19.0022 -7.6361 -7.6146 -7.4647 -7.4454 -7.3964 -7.3949 -2.9710 -2.9605 -2.7322 -2.7273 -2.7171 -2.7017 3.2123 3.2130 3.2294 3.2317 3.9793 3.9793 4.4790 4.4829 4.5177 4.5199 4.5382 4.5388 8.1431 8.1432 8.1692 8.1697 8.3224 8.3238 13.4795 13.5016 13.5269 13.5312 13.6274 13.6511 17.0119 17.0414 k = 0.4286 0.4286 0.4918 ( 2450 PWs) bands (ev): -46.4193 -46.4193 -24.0996 -24.0978 -22.0903 -22.0875 -22.0150 -22.0150 -19.0025 -19.0025 -7.6431 -7.6175 -7.4788 -7.4550 -7.4113 -7.4089 -2.9663 -2.9548 -2.7278 -2.7212 -2.7122 -2.6942 3.2188 3.2195 3.2601 3.2628 3.9986 3.9988 4.4795 4.4842 4.5274 4.5299 4.5542 4.5547 8.1300 8.1301 8.1621 8.1628 8.3018 8.3034 13.4468 13.4712 13.5073 13.5118 13.6037 13.6297 17.0298 17.0602 k = 0.4196 0.4196 0.4918 ( 2438 PWs) bands (ev): -46.4192 -46.4192 -24.0989 -24.0970 -22.0899 -22.0868 -22.0132 -22.0132 -19.0028 -19.0028 -7.6513 -7.6213 -7.4945 -7.4656 -7.4277 -7.4241 -2.9610 -2.9485 -2.7228 -2.7147 -2.7063 -2.6858 3.2256 3.2262 3.2946 3.2976 4.0199 4.0203 4.4810 4.4868 4.5385 4.5414 4.5725 4.5729 8.1153 8.1153 8.1540 8.1550 8.2787 8.2807 13.4099 13.4358 13.4856 13.4906 13.5784 13.6063 17.0501 17.0811 k = 0.4107 0.4107 0.4918 ( 2438 PWs) bands (ev): -46.4193 -46.4193 -24.0982 -24.0960 -22.0895 -22.0860 -22.0111 -22.0111 -19.0033 -19.0033 -7.6610 -7.6261 -7.5116 -7.4770 -7.4454 -7.4404 -2.9551 -2.9419 -2.7175 -2.7081 -2.6992 -2.6767 3.2324 3.2329 3.3327 3.3362 4.0430 4.0438 4.4841 4.4910 4.5511 4.5543 4.5932 4.5936 8.0989 8.0989 8.1449 8.1463 8.2535 8.2559 13.3690 13.3957 13.4618 13.4675 13.5518 13.5811 17.0727 17.1037 k = 0.4018 0.4018 0.4918 ( 2438 PWs) bands (ev): -46.4194 -46.4194 -24.0974 -24.0950 -22.0890 -22.0853 -22.0089 -22.0089 -19.0037 -19.0037 -7.6722 -7.6323 -7.5299 -7.4890 -7.4641 -7.4574 -2.9488 -2.9350 -2.7117 -2.7016 -2.6908 -2.6670 3.2391 3.2395 3.3744 3.3782 4.0673 4.0686 4.4891 4.4974 4.5652 4.5688 4.6164 4.6167 8.0810 8.0811 8.1348 8.1366 8.2261 8.2290 13.3242 13.3512 13.4360 13.4426 13.5239 13.5544 17.0972 17.1278 k = 0.3929 0.3929 0.4918 ( 2438 PWs) bands (ev): -46.4194 -46.4194 -24.0965 -24.0939 -22.0884 -22.0844 -22.0065 -22.0065 -19.0042 -19.0042 -7.6853 -7.6405 -7.5489 -7.5019 -7.4832 -7.4750 -2.9419 -2.9277 -2.7054 -2.6949 -2.6814 -2.6566 3.2456 3.2458 3.4194 3.4236 4.0923 4.0942 4.4968 4.5067 4.5809 4.5848 4.6422 4.6424 8.0616 8.0618 8.1234 8.1259 8.1968 8.2005 13.2756 13.3024 13.4086 13.4161 13.4949 13.5263 17.1231 17.1532 k = 0.3839 0.3839 0.4918 ( 2434 PWs) bands (ev): -46.4195 -46.4195 -24.0955 -24.0928 -22.0878 -22.0835 -22.0039 -22.0039 -19.0047 -19.0047 -7.7005 -7.6514 -7.5678 -7.5168 -7.5011 -7.4927 -2.9347 -2.9201 -2.6988 -2.6880 -2.6711 -2.6457 3.2518 3.2518 3.4676 3.4722 4.1173 4.1200 4.5078 4.5194 4.5982 4.6026 4.6708 4.6708 8.0408 8.0411 8.1105 8.1142 8.1658 8.1705 13.2235 13.2498 13.3796 13.3882 13.4648 13.4969 17.1501 17.1794 k = 0.3750 0.3750 0.4918 ( 2434 PWs) bands (ev): -46.4196 -46.4196 -24.0944 -24.0916 -22.0872 -22.0826 -22.0011 -22.0011 -19.0053 -19.0052 -7.7179 -7.6660 -7.5861 -7.5354 -7.5158 -7.5102 -2.9270 -2.9124 -2.6918 -2.6808 -2.6601 -2.6345 3.2574 3.2576 3.5188 3.5238 4.1415 4.1451 4.5228 4.5363 4.6172 4.6221 4.7023 4.7023 8.0187 8.0190 8.0956 8.1012 8.1333 8.1400 13.1680 13.1936 13.3492 13.3590 13.4337 13.4664 17.1777 17.2062 k = 0.3661 0.3661 0.4918 ( 2436 PWs) bands (ev): -46.4197 -46.4197 -24.0933 -24.0903 -22.0864 -22.0816 -21.9982 -21.9982 -19.0058 -19.0058 -7.7377 -7.6848 -7.6033 -7.5570 -7.5277 -7.5270 -2.9191 -2.9045 -2.6844 -2.6733 -2.6486 -2.6228 3.2625 3.2629 3.5728 3.5782 4.1644 4.1689 4.5424 4.5578 4.6381 4.6434 4.7368 4.7370 7.9954 7.9957 8.0771 8.0862 8.1001 8.1105 13.1093 13.1340 13.3176 13.3286 13.4017 13.4350 17.2055 17.2330 k = 0.3571 0.3571 0.4918 ( 2438 PWs) bands (ev): -46.4198 -46.4198 -24.0921 -24.0890 -22.0857 -22.0806 -21.9951 -21.9951 -19.0064 -19.0064 -7.7598 -7.7079 -7.6198 -7.5800 -7.5424 -7.5379 -2.9109 -2.8964 -2.6766 -2.6655 -2.6366 -2.6110 3.2671 3.2677 3.6293 3.6351 4.1854 4.1908 4.5669 4.5841 4.6609 4.6667 4.7748 4.7752 7.9708 7.9712 8.0520 8.0610 8.0748 8.0851 13.0476 13.0712 13.2851 13.2973 13.3688 13.4027 17.2330 17.2594 k = 0.3482 0.3482 0.4918 ( 2434 PWs) bands (ev): -46.4199 -46.4199 -24.0909 -24.0876 -22.0848 -22.0795 -21.9919 -21.9919 -19.0070 -19.0070 -7.7842 -7.7345 -7.6368 -7.6040 -7.5559 -7.5469 -2.9025 -2.8882 -2.6686 -2.6575 -2.6243 -2.5990 3.2711 3.2719 3.6881 3.6943 4.2044 4.2106 4.5962 4.6152 4.6858 4.6921 4.8166 4.8170 7.9450 7.9455 8.0205 8.0255 8.0576 8.0640 12.9830 13.0055 13.2518 13.2653 13.3352 13.3696 17.2597 17.2849 k = 0.3393 0.3393 0.4918 ( 2430 PWs) bands (ev): -46.4199 -46.4199 -24.0896 -24.0862 -22.0840 -22.0784 -21.9885 -21.9885 -19.0077 -19.0076 -7.8107 -7.7639 -7.6549 -7.6286 -7.5673 -7.5549 -2.8939 -2.8799 -2.6603 -2.6492 -2.6119 -2.5869 3.2746 3.2756 3.7489 3.7555 4.2216 4.2283 4.6301 4.6506 4.7129 4.7199 4.8624 4.8628 7.9180 7.9185 7.9853 7.9882 8.0400 8.0444 12.9157 12.9372 13.2180 13.2326 13.3011 13.3360 17.2851 17.3093 k = 0.3304 0.3304 0.4918 ( 2434 PWs) bands (ev): -46.4201 -46.4201 -24.0882 -24.0847 -22.0830 -22.0773 -21.9850 -21.9850 -19.0084 -19.0083 -7.8392 -7.7954 -7.6746 -7.6537 -7.5765 -7.5621 -2.8851 -2.8716 -2.6517 -2.6408 -2.5994 -2.5748 3.2775 3.2788 3.8114 3.8184 4.2372 4.2443 4.6678 4.6894 4.7426 4.7501 4.9125 4.9128 7.8899 7.8905 7.9483 7.9501 8.0214 8.0246 12.8459 12.8662 13.1837 13.1996 13.2664 13.3019 17.3087 17.3318 k = 0.3214 0.3214 0.4918 ( 2442 PWs) bands (ev): -46.4203 -46.4203 -24.0868 -24.0832 -22.0821 -22.0762 -21.9814 -21.9814 -19.0090 -19.0090 -7.8693 -7.8285 -7.6958 -7.6791 -7.5838 -7.5684 -2.8764 -2.8633 -2.6429 -2.6321 -2.5869 -2.5629 3.2800 3.2814 3.8752 3.8826 4.2518 4.2591 4.7085 4.7309 4.7751 4.7830 4.9671 4.9672 7.8606 7.8613 7.9104 7.9114 8.0015 8.0040 12.7737 12.7928 13.1491 13.1662 13.2314 13.2675 17.3296 17.3522 k = 0.3125 0.3125 0.4918 ( 2442 PWs) bands (ev): -46.4205 -46.4205 -24.0854 -24.0816 -22.0811 -22.0751 -21.9777 -21.9777 -19.0097 -19.0097 -7.9009 -7.8629 -7.7183 -7.7049 -7.5897 -7.5740 -2.8675 -2.8550 -2.6340 -2.6234 -2.5745 -2.5512 3.2820 3.2836 3.9401 3.9477 4.2660 4.2734 4.7514 4.7741 4.8108 4.8189 5.0261 5.0263 7.8302 7.8309 7.8719 7.8723 7.9804 7.9824 12.6992 12.7172 13.1145 13.1327 13.1962 13.2328 17.3420 17.3717 k = 0.3036 0.3036 0.4918 ( 2442 PWs) bands (ev): -46.4206 -46.4206 -24.0839 -24.0801 -22.0800 -22.0739 -21.9739 -21.9739 -19.0104 -19.0104 -7.9336 -7.8983 -7.7417 -7.7309 -7.5945 -7.5790 -2.8586 -2.8467 -2.6249 -2.6145 -2.5623 -2.5398 3.2835 3.2853 4.0055 4.0134 4.2802 4.2875 4.7959 4.8181 4.8502 4.8580 5.0895 5.0901 7.7986 7.7993 7.8332 7.8333 7.9580 7.9596 12.6227 12.6395 13.0801 13.0993 13.1610 13.1982 17.2863 17.3011 k = 0.2946 0.2946 0.4918 ( 2446 PWs) bands (ev): -46.4208 -46.4208 -24.0824 -24.0785 -22.0790 -22.0727 -21.9700 -21.9700 -19.0112 -19.0111 -7.9674 -7.9344 -7.7659 -7.7571 -7.5984 -7.5834 -2.8498 -2.8384 -2.6157 -2.6055 -2.5504 -2.5288 3.2847 3.2866 4.0712 4.0791 4.2950 4.3021 4.8417 4.8627 4.8934 4.9003 5.1572 5.1583 7.7657 7.7664 7.7943 7.7947 7.9342 7.9355 12.5441 12.5598 13.0459 13.0660 13.1259 13.1636 17.1977 17.2133 k = 0.2857 0.2857 0.4918 ( 2446 PWs) bands (ev): -46.4209 -46.4209 -24.0808 -24.0769 -22.0779 -22.0715 -21.9660 -21.9660 -19.0119 -19.0118 -8.0019 -7.9711 -7.7906 -7.7834 -7.6016 -7.5873 -2.8410 -2.8303 -2.6065 -2.5966 -2.5390 -2.5182 3.2855 3.2876 4.1367 4.1445 4.3109 4.3176 4.8885 4.9082 4.9402 4.9459 5.2290 5.2306 7.7316 7.7323 7.7558 7.7565 7.9092 7.9102 12.4637 12.4783 13.0121 13.0331 13.0912 13.1293 17.0981 17.1151 k = 0.2768 0.2768 0.4918 ( 2446 PWs) bands (ev): -46.4210 -46.4210 -24.0793 -24.0752 -22.0767 -22.0703 -21.9620 -21.9620 -19.0126 -19.0125 -8.0371 -8.0081 -7.8157 -7.8097 -7.6043 -7.5907 -2.8323 -2.8222 -2.5973 -2.5876 -2.5280 -2.5082 3.2860 3.2882 4.2016 4.2090 4.3282 4.3343 4.9365 4.9550 4.9899 4.9947 5.3045 5.3066 7.6963 7.6970 7.7178 7.7187 7.8827 7.8835 12.3815 12.3951 12.9789 13.0006 13.0569 13.0955 16.9904 17.0087 k = 0.2679 0.2679 0.4918 ( 2450 PWs) bands (ev): -46.4212 -46.4212 -24.0777 -24.0736 -22.0756 -22.0691 -21.9579 -21.9579 -19.0133 -19.0132 -8.0726 -8.0453 -7.8409 -7.8360 -7.6064 -7.5936 -2.8237 -2.8143 -2.5880 -2.5787 -2.5175 -2.4987 3.2863 3.2886 4.2656 4.2715 4.3480 4.3525 4.9858 5.0038 5.0421 5.0465 5.3834 5.3860 7.6600 7.6608 7.6803 7.6813 7.8550 7.8555 12.2976 12.3102 12.9464 12.9685 13.0234 13.0621 16.8765 16.8961 k = 0.2589 0.2589 0.4918 ( 2456 PWs) bands (ev): -46.4214 -46.4214 -24.0761 -24.0720 -22.0744 -22.0679 -21.9538 -21.9538 -19.0140 -19.0139 -8.1083 -8.0827 -7.8663 -7.8622 -7.6082 -7.5961 -2.8153 -2.8065 -2.5789 -2.5699 -2.5076 -2.4898 3.2863 3.2888 4.3283 4.3296 4.3725 4.3726 5.0366 5.0544 5.0968 5.1012 5.4652 5.4683 7.6230 7.6241 7.6431 7.6442 7.8258 7.8262 12.2123 12.2238 12.9146 12.9371 12.9906 13.0295 16.7577 16.7784 k = 0.2500 0.2500 0.4918 ( 2456 PWs) bands (ev): -46.4216 -46.4216 -24.0744 -24.0703 -22.0732 -22.0667 -21.9497 -21.9497 -19.0147 -19.0146 -8.1441 -8.1199 -7.8916 -7.8882 -7.6095 -7.5983 -2.8070 -2.7988 -2.5699 -2.5613 -2.4984 -2.4816 3.2862 3.2887 4.3736 4.3873 4.3966 4.4116 5.0886 5.1069 5.1541 5.1588 5.5497 5.5531 7.5858 7.5870 7.6062 7.6072 7.7954 7.7955 12.1255 12.1362 12.8838 12.9063 12.9589 12.9978 16.6351 16.6568 k = 0.2411 0.2411 0.4918 ( 2464 PWs) bands (ev): -46.4218 -46.4218 -24.0728 -24.0687 -22.0720 -22.0655 -21.9456 -21.9456 -19.0155 -19.0153 -8.1798 -8.1569 -7.9169 -7.9140 -7.6106 -7.6000 -2.7989 -2.7914 -2.5610 -2.5528 -2.4898 -2.4740 3.2860 3.2885 4.4035 4.4172 4.4503 4.4650 5.1418 5.1607 5.2141 5.2192 5.6363 5.6401 7.5482 7.5496 7.5696 7.5706 7.7635 7.7636 12.0375 12.0472 12.8540 12.8764 12.9283 12.9670 16.5094 16.5320 k = 0.2321 0.2321 0.4918 ( 2460 PWs) bands (ev): -46.4219 -46.4219 -24.0712 -24.0671 -22.0708 -22.0643 -21.9415 -21.9414 -19.0161 -19.0160 -8.2152 -8.1936 -7.9419 -7.9395 -7.6113 -7.6014 -2.7911 -2.7842 -2.5523 -2.5446 -2.4818 -2.4671 3.2857 3.2883 4.4313 4.4434 4.5081 4.5209 5.1960 5.2156 5.2770 5.2824 5.7249 5.7289 7.5100 7.5115 7.5339 7.5349 7.7303 7.7306 11.9484 11.9572 12.8254 12.8473 12.8991 12.9373 16.3813 16.4049 k = 0.2232 0.2232 0.4918 ( 2462 PWs) bands (ev): -46.4220 -46.4220 -24.0696 -24.0655 -22.0696 -22.0631 -21.9373 -21.9373 -19.0168 -19.0167 -8.2504 -8.2299 -7.9666 -7.9647 -7.6117 -7.6025 -2.7835 -2.7772 -2.5439 -2.5366 -2.4744 -2.4609 3.2853 3.2879 4.4602 4.4717 4.5643 4.5760 5.2510 5.2712 5.3425 5.3480 5.8149 5.8192 7.4708 7.4723 7.4997 7.5008 7.6958 7.6964 11.8583 11.8663 12.7980 12.8191 12.8714 12.9089 16.2515 16.2758 k = 0.2143 0.2143 0.4918 ( 2466 PWs) bands (ev): -46.4222 -46.4222 -24.0679 -24.0640 -22.0683 -22.0620 -21.9333 -21.9333 -19.0175 -19.0174 -8.2850 -8.2656 -7.9910 -7.9894 -7.6118 -7.6033 -2.7762 -2.7705 -2.5357 -2.5290 -2.4677 -2.4553 3.2849 3.2875 4.4910 4.5023 4.6189 4.6298 5.3065 5.3272 5.4104 5.4159 5.9061 5.9107 7.4304 7.4318 7.4674 7.4688 7.6601 7.6610 11.7673 11.7745 12.7718 12.7920 12.8451 12.8818 16.1204 16.1454 k = 0.2054 0.2054 0.4918 ( 2458 PWs) bands (ev): -46.4222 -46.4222 -24.0663 -24.0624 -22.0671 -22.0608 -21.9292 -21.9292 -19.0181 -19.0180 -8.3190 -8.3007 -8.0149 -8.0136 -7.6117 -7.6038 -2.7691 -2.7641 -2.5279 -2.5217 -2.4615 -2.4503 3.2845 3.2871 4.5239 4.5351 4.6720 4.6822 5.3625 5.3836 5.4802 5.4853 5.9982 6.0029 7.3886 7.3898 7.4374 7.4391 7.6234 7.6246 11.6756 11.6821 12.7471 12.7660 12.8205 12.8562 15.9885 16.0143 k = 0.1964 0.1964 0.4918 ( 2460 PWs) bands (ev): -46.4224 -46.4224 -24.0648 -24.0609 -22.0659 -22.0597 -21.9253 -21.9252 -19.0188 -19.0186 -8.3523 -8.3350 -8.0383 -8.0372 -7.6114 -7.6040 -2.7624 -2.7579 -2.5204 -2.5149 -2.4559 -2.4458 3.2842 3.2867 4.5590 4.5702 4.7236 4.7332 5.4186 5.4401 5.5510 5.5558 6.0908 6.0957 7.3456 7.3464 7.4099 7.4118 7.5858 7.5873 11.5834 11.5892 12.7238 12.7413 12.7975 12.8321 15.8563 15.8826 k = 0.1875 0.1875 0.4918 ( 2468 PWs) bands (ev): -46.4226 -46.4226 -24.0632 -24.0594 -22.0647 -22.0587 -21.9213 -21.9213 -19.0194 -19.0193 -8.3849 -8.3684 -8.0612 -8.0603 -7.6109 -7.6040 -2.7561 -2.7522 -2.5135 -2.5085 -2.4507 -2.4418 3.2838 3.2863 4.5962 4.6075 4.7740 4.7830 5.4749 5.4967 5.6224 5.6267 6.1836 6.1886 7.3013 7.3018 7.3848 7.3872 7.5474 7.5494 11.4908 11.4959 12.7019 12.7179 12.7762 12.8096 15.7241 15.7511 k = 0.1786 0.1786 0.4918 ( 2468 PWs) bands (ev): -46.4228 -46.4228 -24.0617 -24.0580 -22.0635 -22.0576 -21.9175 -21.9175 -19.0200 -19.0199 -8.4165 -8.4009 -8.0833 -8.0826 -7.6102 -7.6038 -2.7501 -2.7467 -2.5070 -2.5027 -2.4459 -2.4382 3.2835 3.2859 4.6356 4.6471 4.8233 4.8318 5.5310 5.5532 5.6934 5.6972 6.2763 6.2814 7.2560 7.2561 7.3622 7.3651 7.5087 7.5112 11.3980 11.4025 12.6817 12.6960 12.7567 12.7887 15.5925 15.6200 k = 0.1696 0.1696 0.4918 ( 2464 PWs) bands (ev): -46.4228 -46.4228 -24.0602 -24.0566 -22.0623 -22.0566 -21.9138 -21.9138 -19.0206 -19.0204 -8.4471 -8.4324 -8.1048 -8.1042 -7.6093 -7.6034 -2.7445 -2.7416 -2.5011 -2.4975 -2.4414 -2.4349 3.2832 3.2855 4.6771 4.6887 4.8716 4.8795 5.5869 5.6095 5.7632 5.7667 6.3686 6.3738 7.2093 7.2098 7.3420 7.3454 7.4701 7.4732 11.3053 11.3092 12.6630 12.6757 12.7388 12.7696 15.4619 15.4899 k = 0.1607 0.1607 0.4918 ( 2464 PWs) bands (ev): -46.4229 -46.4229 -24.0587 -24.0553 -22.0612 -22.0557 -21.9102 -21.9102 -19.0211 -19.0210 -8.4766 -8.4628 -8.1255 -8.1251 -7.6082 -7.6028 -2.7393 -2.7369 -2.4958 -2.4928 -2.4372 -2.4318 3.2830 3.2853 4.7205 4.7324 4.9190 4.9264 5.6423 5.6654 5.8312 5.8342 6.4599 6.4654 7.1616 7.1627 7.3234 7.3276 7.4327 7.4366 11.2128 11.2162 12.6459 12.6570 12.7225 12.7521 15.3326 15.3611 k = 0.1518 0.1518 0.4918 ( 2464 PWs) bands (ev): -46.4230 -46.4230 -24.0573 -24.0540 -22.0601 -22.0547 -21.9067 -21.9067 -19.0217 -19.0215 -8.5049 -8.4920 -8.1454 -8.1451 -7.6071 -7.6021 -2.7346 -2.7326 -2.4911 -2.4888 -2.4331 -2.4288 3.2828 3.2850 4.7658 4.7780 4.9655 4.9724 5.6970 5.7206 5.8965 5.8991 6.5500 6.5557 7.1132 7.1152 7.3048 7.3098 7.3987 7.4035 11.1209 11.1238 12.6306 12.6401 12.7079 12.7364 15.2052 15.2341 k = 0.1429 0.1429 0.4918 ( 2464 PWs) bands (ev): -46.4231 -46.4231 -24.0560 -24.0527 -22.0590 -22.0539 -21.9033 -21.9033 -19.0222 -19.0220 -8.5320 -8.5199 -8.1645 -8.1642 -7.6058 -7.6012 -2.7302 -2.7287 -2.4871 -2.4854 -2.4292 -2.4259 3.2827 3.2848 4.8128 4.8253 5.0112 5.0177 5.7507 5.7749 5.9584 5.9606 6.6379 6.6442 7.0643 7.0675 7.2831 7.2882 7.3724 7.3775 11.0298 11.0322 12.6169 12.6249 12.6949 12.7223 15.0801 15.1093 k = 0.1339 0.1339 0.4918 ( 2464 PWs) bands (ev): -46.4232 -46.4232 -24.0547 -24.0516 -22.0579 -22.0530 -21.9001 -21.9001 -19.0226 -19.0225 -8.5578 -8.5465 -8.1826 -8.1824 -7.6045 -7.6002 -2.7263 -2.7251 -2.4838 -2.4826 -2.4253 -2.4230 3.2827 3.2847 4.8613 4.8741 5.0561 5.0622 5.8032 5.8282 6.0162 6.0182 6.7224 6.7297 7.0161 7.0210 7.2550 7.2593 7.3577 7.3620 10.9398 10.9418 12.6049 12.6116 12.6834 12.7100 14.9578 14.9873 k = 0.1250 0.1250 0.4918 ( 2460 PWs) bands (ev): -46.4233 -46.4233 -24.0534 -24.0505 -22.0569 -22.0523 -21.8970 -21.8970 -19.0231 -19.0230 -8.5822 -8.5717 -8.1998 -8.1996 -7.6031 -7.5992 -2.7228 -2.7220 -2.4811 -2.4804 -2.4216 -2.4200 3.2827 3.2846 4.9111 4.9242 5.1001 5.1058 5.8542 5.8800 6.0693 6.0712 6.7989 6.8084 6.9719 6.9800 7.2210 7.2240 7.3539 7.3571 10.8512 10.8529 12.5946 12.6002 12.6734 12.6993 14.8388 14.8684 k = 0.1161 0.1161 0.4918 ( 2458 PWs) bands (ev): -46.4233 -46.4233 -24.0522 -24.0495 -22.0559 -22.0515 -21.8941 -21.8941 -19.0235 -19.0234 -8.6052 -8.5954 -8.2159 -8.2158 -7.6016 -7.5981 -2.7198 -2.7192 -2.4791 -2.4786 -2.4179 -2.4170 3.2828 3.2845 4.9620 4.9755 5.1432 5.1485 5.9034 5.9302 6.1174 6.1192 6.8458 6.8565 6.9553 6.9656 7.1834 7.1853 7.3583 7.3606 10.7646 10.7659 12.5859 12.5906 12.6648 12.6901 14.7236 14.7532 k = 0.1071 0.1071 0.4918 ( 2454 PWs) bands (ev): -46.4234 -46.4234 -24.0511 -24.0485 -22.0550 -22.0509 -21.8913 -21.8913 -19.0239 -19.0238 -8.6267 -8.6177 -8.2310 -8.2310 -7.6002 -7.5970 -2.7171 -2.7169 -2.4775 -2.4773 -2.4144 -2.4140 3.2829 3.2845 5.0137 5.0275 5.1851 5.1902 5.9505 5.9784 6.1602 6.1621 6.8308 6.8343 7.0059 7.0101 7.1443 7.1453 7.3689 7.3704 10.6802 10.6813 12.5789 12.5829 12.6576 12.6825 14.6129 14.6423 k = 0.0982 0.0982 0.4918 ( 2462 PWs) bands (ev): -46.4236 -46.4236 -24.0500 -24.0476 -22.0541 -22.0503 -21.8888 -21.8888 -19.0243 -19.0241 -8.6466 -8.6383 -8.2451 -8.2451 -7.5987 -7.5958 -2.7149 -2.7149 -2.4764 -2.4764 -2.4110 -2.4110 3.2830 3.2845 5.0658 5.0799 5.2259 5.2307 5.9951 6.0243 6.1977 6.1998 6.7880 6.7889 7.0771 7.0778 7.1052 7.1053 7.3843 7.3853 10.5986 10.5994 12.5734 12.5771 12.6517 12.6762 14.5071 14.5361 k = 0.0893 0.0893 0.4918 ( 2462 PWs) bands (ev): -46.4236 -46.4236 -24.0490 -24.0468 -22.0532 -22.0497 -21.8864 -21.8864 -19.0246 -19.0245 -8.6649 -8.6574 -8.2580 -8.2580 -7.5973 -7.5947 -2.7132 -2.7130 -2.4757 -2.4757 -2.4081 -2.4079 3.2831 3.2845 5.1180 5.1323 5.2651 5.2697 6.0369 6.0677 6.2301 6.2325 6.7376 6.7412 7.0651 7.0653 7.1490 7.1495 7.4035 7.4041 10.5204 10.5210 12.5694 12.5729 12.6470 12.6713 14.4070 14.4354 k = 0.0804 0.0804 0.4918 ( 2458 PWs) bands (ev): -46.4237 -46.4237 -24.0481 -24.0461 -22.0524 -22.0493 -21.8843 -21.8843 -19.0249 -19.0248 -8.6816 -8.6748 -8.2698 -8.2698 -7.5960 -7.5937 -2.7118 -2.7115 -2.4753 -2.4752 -2.4053 -2.4049 3.2833 3.2846 5.1697 5.1841 5.3026 5.3070 6.0755 6.1082 6.2575 6.2606 6.6863 6.6923 7.0269 7.0271 7.2174 7.2176 7.4255 7.4258 10.4462 10.4465 12.5668 12.5703 12.6435 12.6675 14.3132 14.3407 k = 0.0714 0.0714 0.4918 ( 2454 PWs) bands (ev): -46.4237 -46.4237 -24.0473 -24.0455 -22.0517 -22.0489 -21.8823 -21.8823 -19.0252 -19.0251 -8.6965 -8.6906 -8.2805 -8.2804 -7.5947 -7.5927 -2.7106 -2.7102 -2.4750 -2.4749 -2.4027 -2.4022 3.2835 3.2846 5.2203 5.2349 5.3382 5.3423 6.1108 6.1456 6.2805 6.2844 6.6353 6.6437 6.9902 6.9907 7.2813 7.2818 7.4495 7.4496 10.3766 10.3768 12.5654 12.5690 12.6411 12.6647 14.2264 14.2526 k = 0.0625 0.0625 0.4918 ( 2450 PWs) bands (ev): -46.4237 -46.4237 -24.0465 -24.0449 -22.0510 -22.0485 -21.8805 -21.8805 -19.0254 -19.0253 -8.7098 -8.7046 -8.2899 -8.2899 -7.5935 -7.5918 -2.7097 -2.7093 -2.4748 -2.4747 -2.4004 -2.3998 3.2837 3.2847 5.2692 5.2836 5.3714 5.3754 6.1424 6.1795 6.2996 6.3046 6.5855 6.5963 6.9557 6.9565 7.3398 7.3403 7.4744 7.4744 10.3124 10.3125 12.5650 12.5688 12.6399 12.6627 14.1475 14.1720 k = 0.0536 0.0536 0.4918 ( 2454 PWs) bands (ev): -46.4238 -46.4238 -24.0458 -24.0445 -22.0504 -22.0482 -21.8790 -21.8790 -19.0256 -19.0255 -8.7213 -8.7168 -8.2981 -8.2981 -7.5924 -7.5909 -2.7090 -2.7086 -2.4747 -2.4747 -2.3982 -2.3977 3.2839 3.2847 5.3153 5.3293 5.4021 5.4059 6.1701 6.2098 6.3150 6.3217 6.5378 6.5511 6.9241 6.9250 7.3916 7.3922 7.4994 7.4996 10.2543 10.2543 12.5653 12.5694 12.6397 12.6613 14.0771 14.0995 k = 0.0446 0.0446 0.4918 ( 2450 PWs) bands (ev): -46.4237 -46.4237 -24.0452 -24.0441 -22.0498 -22.0480 -21.8777 -21.8777 -19.0258 -19.0257 -8.7310 -8.7273 -8.3051 -8.3051 -7.5915 -7.5902 -2.7085 -2.7080 -2.4747 -2.4747 -2.3964 -2.3959 3.2841 3.2848 5.3575 5.3706 5.4301 5.4335 6.1941 6.2363 6.3271 6.3359 6.4934 6.5090 6.8959 6.8969 7.4359 7.4363 7.5239 7.5242 10.2032 10.2032 12.5663 12.5704 12.6405 12.6604 14.0161 14.0359 k = 0.0357 0.0357 0.4918 ( 2442 PWs) bands (ev): -46.4237 -46.4237 -24.0447 -24.0438 -22.0493 -22.0479 -21.8766 -21.8766 -19.0259 -19.0258 -8.7389 -8.7359 -8.3108 -8.3108 -7.5906 -7.5897 -2.7080 -2.7077 -2.4747 -2.4747 -2.3948 -2.3944 3.2842 3.2848 5.3944 5.4058 5.4553 5.4579 6.2146 6.2586 6.3360 6.3476 6.4538 6.4707 6.8718 6.8727 7.4716 7.4719 7.5472 7.5475 10.1599 10.1600 12.5677 12.5716 12.6423 12.6595 13.9653 13.9820 k = 0.0268 0.0268 0.4918 ( 2438 PWs) bands (ev): -46.4236 -46.4236 -24.0443 -24.0436 -22.0489 -22.0478 -21.8758 -21.8758 -19.0260 -19.0260 -8.7450 -8.7428 -8.3153 -8.3153 -7.5899 -7.5892 -2.7077 -2.7074 -2.4747 -2.4747 -2.3935 -2.3932 3.2844 3.2848 5.4245 5.4333 5.4774 5.4790 6.2322 6.2760 6.3414 6.3569 6.4214 6.4373 6.8523 6.8531 7.4984 7.4987 7.5680 7.5683 10.1252 10.1253 12.5692 12.5725 12.6447 12.6586 13.9255 13.9386 k = 0.0179 0.0179 0.4918 ( 2434 PWs) bands (ev): -46.4236 -46.4236 -24.0439 -24.0435 -22.0486 -22.0478 -21.8752 -21.8752 -19.0261 -19.0260 -8.7493 -8.7478 -8.3185 -8.3185 -7.5894 -7.5889 -2.7075 -2.7073 -2.4747 -2.4747 -2.3926 -2.3924 3.2845 3.2848 5.4465 5.4523 5.4953 5.4958 6.2477 6.2861 6.3444 6.3636 6.3991 6.4096 6.8380 6.8386 7.5168 7.5170 7.5846 7.5849 10.0999 10.1000 12.5706 12.5731 12.6475 12.6573 13.8972 13.9062 k = 0.0089 0.0089 0.4918 ( 2428 PWs) bands (ev): -46.4235 -46.4235 -24.0437 -24.0434 -22.0483 -22.0479 -21.8748 -21.8748 -19.0261 -19.0261 -8.7517 -8.7509 -8.3204 -8.3204 -7.5890 -7.5888 -2.7074 -2.7073 -2.4747 -2.4747 -2.3920 -2.3919 3.2846 3.2848 5.4600 5.4628 5.5071 5.5071 6.2622 6.2855 6.3495 6.3661 6.3875 6.3896 6.8293 6.8296 7.5275 7.5276 7.5954 7.5955 10.0845 10.0845 12.5719 12.5732 12.6505 12.6555 13.8811 13.8857 k = 0.0000 0.0000 0.4918 ( 2432 PWs) bands (ev): -46.4236 -46.4236 -24.0435 -24.0435 -22.0481 -22.0481 -21.8747 -21.8747 -19.0261 -19.0261 -8.7522 -8.7522 -8.3211 -8.3211 -7.5888 -7.5888 -2.7073 -2.7073 -2.4747 -2.4747 -2.3918 -2.3918 3.2847 3.2847 5.4653 5.4653 5.5112 5.5112 6.2756 6.2756 6.3593 6.3593 6.3835 6.3835 6.8264 6.8264 7.5310 7.5310 7.5992 7.5992 10.0793 10.0793 12.5728 12.5728 12.6532 12.6532 13.8772 13.8772 k = 0.0000 0.5000-0.0000 ( 2460 PWs) bands (ev): -46.4236 -46.4236 -24.0450 -24.0450 -22.0223 -22.0223 -21.9208 -21.9208 -19.0235 -19.0235 -8.7760 -8.7760 -8.3414 -8.3414 -7.4168 -7.4168 -2.7060 -2.7060 -2.4684 -2.4684 -2.4053 -2.4053 3.3246 3.3246 5.6146 5.6146 5.8379 5.8379 6.1341 6.1341 6.2306 6.2306 6.3149 6.3149 6.8135 6.8135 6.9081 6.9081 7.2441 7.2441 10.6873 10.6873 12.5143 12.5143 12.6576 12.6576 13.9134 13.9134 k = 0.0000 0.5000 0.0126 ( 2464 PWs) bands (ev): -46.4236 -46.4236 -24.0451 -24.0451 -22.0224 -22.0224 -21.9208 -21.9208 -19.0235 -19.0235 -8.7751 -8.7751 -8.3409 -8.3409 -7.4169 -7.4169 -2.7060 -2.7060 -2.4684 -2.4684 -2.4055 -2.4055 3.3246 3.3246 5.6053 5.6053 5.8374 5.8374 6.1318 6.1318 6.2276 6.2276 6.3221 6.3221 6.8161 6.8161 6.9081 6.9081 7.2409 7.2409 10.6906 10.6906 12.5144 12.5144 12.6583 12.6583 13.9189 13.9189 k = 0.0000 0.5000 0.0252 ( 2464 PWs) bands (ev): -46.4236 -46.4236 -24.0452 -24.0452 -22.0227 -22.0227 -21.9209 -21.9209 -19.0235 -19.0235 -8.7723 -8.7723 -8.3394 -8.3394 -7.4171 -7.4171 -2.7061 -2.7061 -2.4684 -2.4684 -2.4060 -2.4060 3.3244 3.3244 5.5789 5.5789 5.8361 5.8361 6.1246 6.1246 6.2188 6.2188 6.3425 6.3425 6.8239 6.8239 6.9083 6.9083 7.2316 7.2316 10.7007 10.7007 12.5147 12.5147 12.6606 12.6606 13.9352 13.9352 k = 0.0000 0.5000 0.0378 ( 2460 PWs) bands (ev): -46.4235 -46.4235 -24.0454 -24.0454 -22.0231 -22.0231 -21.9211 -21.9211 -19.0234 -19.0234 -8.7676 -8.7676 -8.3369 -8.3369 -7.4176 -7.4176 -2.7062 -2.7062 -2.4683 -2.4683 -2.4068 -2.4068 3.3242 3.3242 5.5384 5.5384 5.8340 5.8340 6.1121 6.1121 6.2041 6.2041 6.3726 6.3726 6.8372 6.8372 6.9087 6.9087 7.2168 7.2168 10.7174 10.7174 12.5153 12.5153 12.6646 12.6646 13.9619 13.9619 k = 0.0000 0.5000 0.0504 ( 2460 PWs) bands (ev): -46.4235 -46.4235 -24.0457 -24.0457 -22.0237 -22.0237 -21.9214 -21.9214 -19.0233 -19.0233 -8.7612 -8.7612 -8.3332 -8.3332 -7.4182 -7.4182 -2.7064 -2.7064 -2.4681 -2.4681 -2.4081 -2.4081 3.3239 3.3239 5.4874 5.4874 5.8311 5.8311 6.0933 6.0933 6.1842 6.1842 6.4084 6.4084 6.8565 6.8565 6.9092 6.9092 7.1974 7.1974 10.7406 10.7406 12.5161 12.5161 12.6701 12.6701 13.9982 13.9982 k = 0.0000 0.5000 0.0631 ( 2452 PWs) bands (ev): -46.4234 -46.4234 -24.0461 -24.0461 -22.0245 -22.0245 -21.9217 -21.9217 -19.0232 -19.0232 -8.7531 -8.7531 -8.3285 -8.3285 -7.4189 -7.4189 -2.7067 -2.7067 -2.4679 -2.4679 -2.4096 -2.4096 3.3236 3.3236 5.4291 5.4291 5.8274 5.8274 6.0673 6.0673 6.1600 6.1600 6.4464 6.4464 6.8823 6.8823 6.9099 6.9099 7.1744 7.1744 10.7700 10.7700 12.5171 12.5171 12.6773 12.6773 14.0431 14.0431 k = 0.0000 0.5000 0.0757 ( 2444 PWs) bands (ev): -46.4232 -46.4232 -24.0466 -24.0466 -22.0254 -22.0254 -21.9221 -21.9221 -19.0231 -19.0231 -8.7435 -8.7435 -8.3226 -8.3226 -7.4199 -7.4199 -2.7070 -2.7070 -2.4677 -2.4677 -2.4114 -2.4114 3.3231 3.3231 5.3658 5.3658 5.8231 5.8231 6.0323 6.0323 6.1327 6.1327 6.4835 6.4835 6.9086 6.9086 6.9170 6.9170 7.1493 7.1493 10.8054 10.8054 12.5183 12.5183 12.6862 12.6862 14.0954 14.0954 k = 0.0000 0.5000 0.0883 ( 2438 PWs) bands (ev): -46.4231 -46.4231 -24.0471 -24.0471 -22.0266 -22.0266 -21.9225 -21.9225 -19.0229 -19.0229 -8.7326 -8.7326 -8.3153 -8.3153 -7.4210 -7.4210 -2.7074 -2.7074 -2.4675 -2.4675 -2.4135 -2.4135 3.3226 3.3226 5.2993 5.2993 5.8181 5.8181 5.9871 5.9871 6.1037 6.1037 6.5182 6.5182 6.9107 6.9107 6.9553 6.9553 7.1233 7.1233 10.8465 10.8465 12.5196 12.5196 12.6968 12.6968 14.1537 14.1537 k = 0.0000 0.5000 0.1009 ( 2442 PWs) bands (ev): -46.4231 -46.4231 -24.0478 -24.0478 -22.0278 -22.0278 -21.9229 -21.9229 -19.0227 -19.0227 -8.7204 -8.7204 -8.3068 -8.3068 -7.4222 -7.4222 -2.7078 -2.7078 -2.4672 -2.4672 -2.4159 -2.4159 3.3220 3.3220 5.2308 5.2308 5.8124 5.8124 5.9311 5.9311 6.0737 6.0737 6.5495 6.5495 6.9115 6.9115 7.0010 7.0010 7.0975 7.0975 10.8930 10.8930 12.5210 12.5210 12.7092 12.7092 14.2164 14.2164 k = 0.0000 0.5000 0.1135 ( 2454 PWs) bands (ev): -46.4232 -46.4232 -24.0485 -24.0485 -22.0293 -22.0293 -21.9234 -21.9234 -19.0225 -19.0225 -8.7073 -8.7073 -8.2967 -8.2967 -7.4236 -7.4236 -2.7084 -2.7084 -2.4670 -2.4670 -2.4185 -2.4185 3.3213 3.3213 5.1613 5.1613 5.8061 5.8061 5.8644 5.8644 6.0428 6.0428 6.5774 6.5774 6.9124 6.9124 7.0520 7.0520 7.0731 7.0731 10.9443 10.9443 12.5225 12.5225 12.7235 12.7235 14.2822 14.2822 k = 0.0000 0.5000 0.1261 ( 2452 PWs) bands (ev): -46.4231 -46.4231 -24.0493 -24.0493 -22.0309 -22.0309 -21.9239 -21.9239 -19.0223 -19.0223 -8.6935 -8.6935 -8.2851 -8.2851 -7.4251 -7.4251 -2.7090 -2.7090 -2.4667 -2.4667 -2.4213 -2.4213 3.3205 3.3205 5.0914 5.0914 5.7876 5.7876 5.7995 5.7995 6.0112 6.0112 6.6023 6.6023 6.9132 6.9132 7.0501 7.0501 7.1076 7.1076 11.0003 11.0003 12.5241 12.5241 12.7398 12.7398 14.3494 14.3494 k = 0.0000 0.5000 0.1387 ( 2452 PWs) bands (ev): -46.4231 -46.4231 -24.0501 -24.0501 -22.0327 -22.0327 -21.9245 -21.9245 -19.0221 -19.0221 -8.6791 -8.6791 -8.2718 -8.2718 -7.4267 -7.4267 -2.7097 -2.7097 -2.4664 -2.4664 -2.4242 -2.4242 3.3196 3.3196 5.0217 5.0217 5.7025 5.7025 5.7918 5.7918 5.9785 5.9785 6.6247 6.6247 6.9140 6.9140 7.0298 7.0298 7.1657 7.1657 11.0604 11.0604 12.5257 12.5257 12.7580 12.7580 14.4167 14.4167 k = 0.0000 0.5000 0.1513 ( 2460 PWs) bands (ev): -46.4231 -46.4231 -24.0510 -24.0510 -22.0346 -22.0346 -21.9250 -21.9250 -19.0218 -19.0218 -8.6645 -8.6645 -8.2566 -8.2566 -7.4284 -7.4284 -2.7105 -2.7105 -2.4662 -2.4662 -2.4273 -2.4273 3.3185 3.3185 4.9525 4.9525 5.6095 5.6095 5.7839 5.7839 5.9450 5.9450 6.6452 6.6452 6.9148 6.9148 7.0120 7.0120 7.2256 7.2256 11.1242 11.1242 12.5274 12.5274 12.7782 12.7782 14.4828 14.4828 k = 0.0000 0.5000 0.1639 ( 2460 PWs) bands (ev): -46.4230 -46.4230 -24.0519 -24.0519 -22.0366 -22.0366 -21.9255 -21.9255 -19.0216 -19.0216 -8.6499 -8.6499 -8.2396 -8.2396 -7.4302 -7.4302 -2.7113 -2.7113 -2.4660 -2.4660 -2.4304 -2.4304 3.3174 3.3174 4.8842 4.8842 5.5099 5.5099 5.7755 5.7755 5.9108 5.9108 6.6643 6.6643 6.9156 6.9156 6.9967 6.9967 7.2864 7.2864 11.1913 11.1913 12.5292 12.5292 12.8005 12.8005 14.5465 14.5465 k = 0.0000 0.5000 0.1765 ( 2472 PWs) bands (ev): -46.4232 -46.4232 -24.0530 -24.0530 -22.0388 -22.0388 -21.9261 -21.9261 -19.0213 -19.0213 -8.6355 -8.6355 -8.2207 -8.2207 -7.4321 -7.4321 -2.7123 -2.7123 -2.4659 -2.4659 -2.4335 -2.4335 3.3162 3.3162 4.8171 4.8171 5.4048 5.4048 5.7667 5.7667 5.8760 5.8760 6.6824 6.6824 6.9163 6.9163 6.9837 6.9837 7.3472 7.3472 11.2612 11.2612 12.5309 12.5309 12.8247 12.8247 14.6071 14.6071 k = 0.0000 0.5000 0.1892 ( 2476 PWs) bands (ev): -46.4231 -46.4231 -24.0540 -24.0540 -22.0411 -22.0411 -21.9266 -21.9266 -19.0210 -19.0210 -8.6215 -8.6215 -8.1998 -8.1998 -7.4341 -7.4341 -2.7133 -2.7133 -2.4660 -2.4660 -2.4364 -2.4364 3.3148 3.3148 4.7514 4.7514 5.2956 5.2956 5.7575 5.7575 5.8408 5.8408 6.6997 6.6997 6.9170 6.9170 6.9730 6.9730 7.4075 7.4075 11.3335 11.3335 12.5327 12.5327 12.8509 12.8509 14.6639 14.6639 k = 0.0000 0.5000 0.2018 ( 2480 PWs) bands (ev): -46.4231 -46.4231 -24.0551 -24.0551 -22.0435 -22.0435 -21.9271 -21.9271 -19.0207 -19.0207 -8.6081 -8.6081 -8.1769 -8.1769 -7.4361 -7.4361 -2.7144 -2.7144 -2.4664 -2.4664 -2.4391 -2.4391 3.3132 3.3132 4.6873 4.6873 5.1832 5.1832 5.7480 5.7480 5.8056 5.8056 6.7164 6.7164 6.9177 6.9177 6.9642 6.9642 7.4667 7.4667 11.4077 11.4077 12.5345 12.5345 12.8791 12.8791 14.7165 14.7165 k = 0.0000 0.5000 0.2144 ( 2476 PWs) bands (ev): -46.4230 -46.4230 -24.0562 -24.0562 -22.0459 -22.0459 -21.9276 -21.9276 -19.0204 -19.0204 -8.5954 -8.5954 -8.1523 -8.1523 -7.4381 -7.4381 -2.7155 -2.7155 -2.4670 -2.4670 -2.4415 -2.4415 3.3115 3.3115 4.6249 4.6249 5.0689 5.0689 5.7380 5.7380 5.7707 5.7707 6.7326 6.7326 6.9182 6.9182 6.9572 6.9572 7.5244 7.5244 11.4834 11.4834 12.5363 12.5363 12.9091 12.9091 14.7649 14.7649 k = 0.0000 0.5000 0.2270 ( 2476 PWs) bands (ev): -46.4229 -46.4229 -24.0573 -24.0573 -22.0484 -22.0484 -21.9280 -21.9280 -19.0201 -19.0201 -8.5835 -8.5835 -8.1260 -8.1260 -7.4401 -7.4401 -2.7167 -2.7167 -2.4681 -2.4681 -2.4434 -2.4434 3.3096 3.3096 4.5645 4.5645 4.9536 4.9536 5.7253 5.7253 5.7386 5.7386 6.7484 6.7484 6.9187 6.9187 6.9518 6.9518 7.5803 7.5803 11.5601 11.5601 12.5381 12.5381 12.9408 12.9408 14.8088 14.8088 k = 0.0000 0.5000 0.2396 ( 2480 PWs) bands (ev): -46.4229 -46.4229 -24.0584 -24.0584 -22.0510 -22.0510 -21.9284 -21.9284 -19.0198 -19.0198 -8.5724 -8.5724 -8.0981 -8.0981 -7.4422 -7.4422 -2.7180 -2.7180 -2.4697 -2.4697 -2.4447 -2.4447 3.3074 3.3074 4.5061 4.5061 4.8382 4.8382 5.6979 5.6979 5.7216 5.7216 6.7638 6.7638 6.9191 6.9191 6.9477 6.9477 7.6342 7.6342 11.6372 11.6372 12.5399 12.5399 12.9742 12.9742 14.8486 14.8486 k = 0.0000 0.5000 0.2522 ( 2488 PWs) bands (ev): -46.4229 -46.4229 -24.0596 -24.0596 -22.0536 -22.0536 -21.9288 -21.9288 -19.0195 -19.0195 -8.5621 -8.5621 -8.0691 -8.0691 -7.4442 -7.4442 -2.7193 -2.7193 -2.4718 -2.4718 -2.4456 -2.4456 3.3049 3.3049 4.4499 4.4499 4.7236 4.7236 5.6647 5.6647 5.7110 5.7110 6.7788 6.7788 6.9195 6.9195 6.9447 6.9447 7.6857 7.6857 11.7145 11.7145 12.5416 12.5416 13.0089 13.0089 14.8843 14.8843 k = 0.0000 0.5000 0.2648 ( 2484 PWs) bands (ev): -46.4228 -46.4228 -24.0607 -24.0607 -22.0562 -22.0562 -21.9292 -21.9292 -19.0192 -19.0192 -8.5526 -8.5526 -8.0390 -8.0390 -7.4462 -7.4462 -2.7207 -2.7207 -2.4742 -2.4742 -2.4459 -2.4459 3.3022 3.3022 4.3960 4.3960 4.6108 4.6108 5.6317 5.6317 5.7010 5.7010 6.7935 6.7935 6.9198 6.9198 6.9427 6.9427 7.7347 7.7347 11.7913 11.7913 12.5434 12.5434 13.0449 13.0449 14.9163 14.9163 k = 0.0000 0.5000 0.2774 ( 2472 PWs) bands (ev): -46.4226 -46.4226 -24.0618 -24.0618 -22.0588 -22.0588 -21.9295 -21.9295 -19.0189 -19.0189 -8.5439 -8.5439 -8.0082 -8.0082 -7.4481 -7.4481 -2.7221 -2.7221 -2.4769 -2.4769 -2.4459 -2.4459 3.2990 3.2990 4.3444 4.3444 4.5006 4.5006 5.5995 5.5995 5.6913 5.6913 6.8077 6.8077 6.9201 6.9201 6.9415 6.9415 7.7812 7.7812 11.8674 11.8674 12.5452 12.5452 13.0818 13.0818 14.9449 14.9449 k = 0.0000 0.5000 0.2900 ( 2472 PWs) bands (ev): -46.4225 -46.4225 -24.0629 -24.0629 -22.0613 -22.0613 -21.9298 -21.9298 -19.0186 -19.0186 -8.5360 -8.5360 -7.9770 -7.9770 -7.4499 -7.4499 -2.7235 -2.7235 -2.4797 -2.4797 -2.4456 -2.4456 3.2954 3.2954 4.2951 4.2951 4.3938 4.3938 5.5683 5.5683 5.6818 5.6818 6.8214 6.8214 6.9205 6.9205 6.9408 6.9408 7.8250 7.8250 11.9422 11.9422 12.5470 12.5470 13.1194 13.1194 14.9704 14.9704 k = 0.0000 0.5000 0.3026 ( 2462 PWs) bands (ev): -46.4223 -46.4223 -24.0640 -24.0640 -22.0638 -22.0638 -21.9300 -21.9300 -19.0183 -19.0183 -8.5287 -8.5287 -7.9458 -7.9458 -7.4516 -7.4516 -2.7249 -2.7249 -2.4825 -2.4825 -2.4451 -2.4451 3.2912 3.2912 4.2477 4.2477 4.2917 4.2917 5.5384 5.5384 5.6726 5.6726 6.8345 6.8345 6.9210 6.9210 6.9406 6.9406 7.8660 7.8660 12.0152 12.0152 12.5488 12.5488 13.1575 13.1575 14.9931 14.9931 k = 0.0000 0.5000 0.3153 ( 2470 PWs) bands (ev): -46.4223 -46.4223 -24.0651 -24.0651 -22.0663 -22.0663 -21.9302 -21.9302 -19.0180 -19.0180 -8.5221 -8.5221 -7.9148 -7.9148 -7.4532 -7.4532 -2.7264 -2.7264 -2.4854 -2.4854 -2.4445 -2.4445 3.2863 3.2863 4.1871 4.1871 4.2101 4.2101 5.5099 5.5099 5.6637 5.6637 6.8470 6.8470 6.9216 6.9216 6.9408 6.9408 7.9043 7.9043 12.0859 12.0859 12.5505 12.5505 13.1955 13.1955 15.0131 15.0131 k = 0.0000 0.5000 0.3279 ( 2468 PWs) bands (ev): -46.4222 -46.4222 -24.0661 -24.0661 -22.0687 -22.0687 -21.9304 -21.9304 -19.0177 -19.0177 -8.5161 -8.5161 -7.8844 -7.8844 -7.4547 -7.4547 -2.7279 -2.7279 -2.4882 -2.4882 -2.4438 -2.4438 3.2806 3.2806 4.0972 4.0972 4.1660 4.1660 5.4828 5.4828 5.6551 5.6551 6.8588 6.8588 6.9223 6.9223 6.9412 6.9412 7.9397 7.9397 12.1540 12.1540 12.5523 12.5523 13.2334 13.2334 15.0310 15.0310 k = 0.0000 0.5000 0.3405 ( 2468 PWs) bands (ev): -46.4222 -46.4222 -24.0671 -24.0671 -22.0709 -22.0709 -21.9306 -21.9306 -19.0174 -19.0174 -8.5106 -8.5106 -7.8549 -7.8549 -7.4559 -7.4559 -2.7293 -2.7293 -2.4908 -2.4908 -2.4431 -2.4431 3.2739 3.2739 4.0108 4.0108 4.1273 4.1273 5.4574 5.4574 5.6469 5.6469 6.8698 6.8698 6.9233 6.9233 6.9418 6.9418 7.9723 7.9723 12.2189 12.2189 12.5542 12.5542 13.2705 13.2705 15.0467 15.0467 k = 0.0000 0.5000 0.3531 ( 2468 PWs) bands (ev): -46.4221 -46.4221 -24.0680 -24.0680 -22.0731 -22.0731 -21.9308 -21.9308 -19.0172 -19.0172 -8.5057 -8.5057 -7.8266 -7.8266 -7.4570 -7.4570 -2.7306 -2.7306 -2.4933 -2.4933 -2.4423 -2.4423 3.2660 3.2660 3.9307 3.9307 4.0917 4.0917 5.4336 5.4336 5.6392 5.6392 6.8798 6.8798 6.9246 6.9246 6.9425 6.9425 8.0022 8.0022 12.2801 12.2801 12.5562 12.5562 13.3066 13.3066 15.0605 15.0605 k = 0.0000 0.5000 0.3657 ( 2466 PWs) bands (ev): -46.4220 -46.4220 -24.0688 -24.0688 -22.0751 -22.0751 -21.9309 -21.9309 -19.0169 -19.0169 -8.5013 -8.5013 -7.7997 -7.7997 -7.4579 -7.4579 -2.7319 -2.7319 -2.4957 -2.4957 -2.4416 -2.4416 3.2569 3.2569 3.8580 3.8580 4.0591 4.0591 5.4117 5.4117 5.6320 5.6320 6.8886 6.8886 6.9263 6.9263 6.9433 6.9433 8.0292 8.0292 12.3372 12.3372 12.5585 12.5585 13.3413 13.3413 15.0726 15.0726 k = 0.0000 0.5000 0.3783 ( 2470 PWs) bands (ev): -46.4220 -46.4220 -24.0697 -24.0697 -22.0770 -22.0770 -21.9310 -21.9310 -19.0167 -19.0167 -8.4974 -8.4974 -7.7747 -7.7747 -7.4586 -7.4586 -2.7332 -2.7332 -2.4979 -2.4979 -2.4409 -2.4409 3.2464 3.2464 3.7930 3.7930 4.0295 4.0295 5.3916 5.3916 5.6254 5.6254 6.8961 6.8961 6.9285 6.9285 6.9442 6.9442 8.0535 8.0535 12.3894 12.3894 12.5613 12.5613 13.3741 13.3741 15.0832 15.0832 k = 0.0000 0.5000 0.3909 ( 2458 PWs) bands (ev): -46.4218 -46.4218 -24.0704 -24.0704 -22.0787 -22.0787 -21.9311 -21.9311 -19.0165 -19.0165 -8.4940 -8.4940 -7.7517 -7.7517 -7.4591 -7.4591 -2.7343 -2.7343 -2.4998 -2.4998 -2.4401 -2.4401 3.2346 3.2346 3.7363 3.7363 4.0030 4.0030 5.3734 5.3734 5.6193 5.6193 6.9021 6.9021 6.9312 6.9312 6.9452 6.9452 8.0751 8.0751 12.4360 12.4360 12.5651 12.5651 13.4047 13.4047 15.0924 15.0924 k = 0.0000 0.5000 0.4035 ( 2462 PWs) bands (ev): -46.4218 -46.4218 -24.0710 -24.0710 -22.0803 -22.0803 -21.9312 -21.9312 -19.0163 -19.0163 -8.4910 -8.4910 -7.7309 -7.7309 -7.4594 -7.4594 -2.7354 -2.7354 -2.5015 -2.5015 -2.4395 -2.4395 3.2215 3.2215 3.6880 3.6880 3.9794 3.9794 5.3573 5.3573 5.6139 5.6139 6.9066 6.9066 6.9345 6.9345 6.9463 6.9463 8.0940 8.0940 12.4756 12.4756 12.5708 12.5708 13.4328 13.4328 15.1002 15.1002 k = 0.0000 0.5000 0.4161 ( 2458 PWs) bands (ev): -46.4217 -46.4217 -24.0716 -24.0716 -22.0816 -22.0816 -21.9312 -21.9312 -19.0162 -19.0162 -8.4884 -8.4884 -7.7126 -7.7126 -7.4594 -7.4594 -2.7363 -2.7363 -2.5030 -2.5030 -2.4389 -2.4389 3.2078 3.2078 3.6479 3.6479 3.9590 3.9590 5.3432 5.3432 5.6091 5.6091 6.9098 6.9098 6.9378 6.9378 6.9475 6.9475 8.1103 8.1103 12.5060 12.5060 12.5804 12.5804 13.4579 13.4579 15.1069 15.1069 k = 0.0000 0.5000 0.4288 ( 2458 PWs) bands (ev): -46.4217 -46.4217 -24.0721 -24.0721 -22.0828 -22.0828 -21.9313 -21.9313 -19.0160 -19.0160 -8.4862 -8.4862 -7.6969 -7.6969 -7.4593 -7.4593 -2.7371 -2.7371 -2.5043 -2.5043 -2.4384 -2.4384 3.1939 3.1939 3.6156 3.6156 3.9416 3.9416 5.3311 5.3311 5.6050 5.6050 6.9120 6.9120 6.9408 6.9408 6.9489 6.9489 8.1240 8.1240 12.5255 12.5255 12.5952 12.5952 13.4797 13.4797 15.1124 15.1124 k = 0.0000 0.5000 0.4414 ( 2458 PWs) bands (ev): -46.4217 -46.4217 -24.0725 -24.0725 -22.0838 -22.0838 -21.9313 -21.9313 -19.0159 -19.0159 -8.4844 -8.4844 -7.6840 -7.6840 -7.4591 -7.4591 -2.7378 -2.7378 -2.5054 -2.5054 -2.4380 -2.4380 3.1809 3.1809 3.5907 3.5907 3.9274 3.9274 5.3213 5.3213 5.6016 5.6016 6.9135 6.9135 6.9431 6.9431 6.9507 6.9507 8.1351 8.1351 12.5360 12.5360 12.6131 12.6131 13.4980 13.4980 15.1168 15.1168 k = 0.0000 0.5000 0.4540 ( 2460 PWs) bands (ev): -46.4217 -46.4217 -24.0728 -24.0728 -22.0845 -22.0845 -21.9314 -21.9314 -19.0158 -19.0158 -8.4831 -8.4831 -7.6739 -7.6739 -7.4589 -7.4589 -2.7383 -2.7383 -2.5062 -2.5062 -2.4376 -2.4376 3.1695 3.1695 3.5722 3.5722 3.9163 3.9163 5.3135 5.3135 5.5990 5.5990 6.9145 6.9145 6.9445 6.9445 6.9526 6.9526 8.1438 8.1438 12.5414 12.5414 12.6301 12.6301 13.5125 13.5125 15.1201 15.1201 k = 0.0000 0.5000 0.4666 ( 2460 PWs) bands (ev): -46.4217 -46.4217 -24.0731 -24.0731 -22.0851 -22.0851 -21.9314 -21.9314 -19.0158 -19.0158 -8.4821 -8.4821 -7.6666 -7.6666 -7.4586 -7.4586 -2.7387 -2.7387 -2.5068 -2.5068 -2.4374 -2.4374 3.1607 3.1607 3.5596 3.5596 3.9083 3.9083 5.3080 5.3080 5.5971 5.5971 6.9152 6.9152 6.9454 6.9454 6.9543 6.9543 8.1499 8.1499 12.5442 12.5442 12.6433 12.6433 13.5230 13.5230 15.1225 15.1225 k = 0.0000 0.5000 0.4792 ( 2460 PWs) bands (ev): -46.4216 -46.4216 -24.0732 -24.0732 -22.0854 -22.0854 -21.9314 -21.9314 -19.0157 -19.0157 -8.4815 -8.4815 -7.6623 -7.6623 -7.4584 -7.4584 -2.7390 -2.7390 -2.5072 -2.5072 -2.4372 -2.4372 3.1552 3.1552 3.5523 3.5523 3.9036 3.9036 5.3047 5.3047 5.5959 5.5959 6.9156 6.9156 6.9458 6.9458 6.9554 6.9554 8.1536 8.1536 12.5456 12.5456 12.6516 12.6516 13.5293 13.5293 15.1239 15.1239 k = 0.0000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4216 -46.4216 -24.0733 -24.0733 -22.0855 -22.0855 -21.9314 -21.9314 -19.0157 -19.0157 -8.4813 -8.4813 -7.6608 -7.6608 -7.4584 -7.4584 -2.7390 -2.7390 -2.5073 -2.5073 -2.4372 -2.4372 3.1533 3.1533 3.5499 3.5499 3.9020 3.9020 5.3036 5.3036 5.5955 5.5955 6.9157 6.9157 6.9460 6.9460 6.9557 6.9557 8.1548 8.1548 12.5461 12.5461 12.6544 12.6544 13.5315 13.5315 15.1244 15.1244 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -46.4212 -46.4212 -24.0748 -24.0748 -22.0273 -22.0273 -22.0099 -22.0099 -19.0132 -19.0132 -8.5247 -8.5247 -7.5214 -7.5214 -7.4152 -7.4152 -2.7539 -2.7539 -2.5271 -2.5271 -2.4424 -2.4424 3.1155 3.1155 3.5399 3.5399 3.9192 3.9192 5.4496 5.4496 5.4704 5.4704 6.7602 6.7602 6.8120 6.8120 6.8260 6.8260 8.3583 8.3583 12.6271 12.6271 12.6992 12.6992 13.5903 13.5903 14.6360 14.6360 k = 0.5000 0.5000 0.0126 ( 2464 PWs) bands (ev): -46.4212 -46.4212 -24.0749 -24.0749 -22.0273 -22.0273 -22.0100 -22.0100 -19.0132 -19.0132 -8.5233 -8.5233 -7.5213 -7.5213 -7.4151 -7.4151 -2.7543 -2.7543 -2.5275 -2.5275 -2.4429 -2.4429 3.1155 3.1155 3.5399 3.5399 3.9201 3.9201 5.4464 5.4464 5.4672 5.4672 6.7535 6.7535 6.8158 6.8158 6.8300 6.8300 8.3584 8.3584 12.6282 12.6282 12.7003 12.7003 13.5904 13.5904 14.6437 14.6437 k = 0.5000 0.5000 0.0252 ( 2464 PWs) bands (ev): -46.4212 -46.4212 -24.0750 -24.0750 -22.0273 -22.0273 -22.0104 -22.0104 -19.0131 -19.0131 -8.5192 -8.5192 -7.5209 -7.5209 -7.4147 -7.4147 -2.7554 -2.7554 -2.5285 -2.5285 -2.4444 -2.4444 3.1156 3.1156 3.5399 3.5399 3.9229 3.9229 5.4369 5.4369 5.4574 5.4574 6.7332 6.7332 6.8272 6.8272 6.8418 6.8418 8.3586 8.3586 12.6316 12.6316 12.7037 12.7037 13.5908 13.5908 14.6670 14.6670 k = 0.5000 0.5000 0.0378 ( 2476 PWs) bands (ev): -46.4214 -46.4214 -24.0752 -24.0752 -22.0272 -22.0272 -22.0111 -22.0111 -19.0131 -19.0131 -8.5124 -8.5124 -7.5204 -7.5204 -7.4142 -7.4142 -2.7573 -2.7573 -2.5303 -2.5303 -2.4470 -2.4470 3.1156 3.1156 3.5397 3.5397 3.9276 3.9276 5.4214 5.4214 5.4417 5.4417 6.6994 6.6994 6.8461 6.8461 6.8610 6.8610 8.3588 8.3588 12.6371 12.6371 12.7092 12.7092 13.5914 13.5914 14.7052 14.7052 k = 0.5000 0.5000 0.0504 ( 2476 PWs) bands (ev): -46.4213 -46.4213 -24.0755 -24.0755 -22.0272 -22.0272 -22.0120 -22.0120 -19.0129 -19.0129 -8.5029 -8.5029 -7.5196 -7.5196 -7.4134 -7.4134 -2.7599 -2.7599 -2.5328 -2.5328 -2.4504 -2.4504 3.1158 3.1158 3.5396 3.5396 3.9340 3.9340 5.4006 5.4006 5.4205 5.4205 6.6528 6.6528 6.8718 6.8718 6.8870 6.8870 8.3592 8.3592 12.6449 12.6449 12.7170 12.7170 13.5923 13.5923 14.7579 14.7579 k = 0.5000 0.5000 0.0631 ( 2468 PWs) bands (ev): -46.4212 -46.4212 -24.0759 -24.0759 -22.0271 -22.0271 -22.0132 -22.0132 -19.0127 -19.0127 -8.4907 -8.4907 -7.5185 -7.5185 -7.4125 -7.4125 -2.7631 -2.7631 -2.5360 -2.5360 -2.4547 -2.4547 3.1160 3.1160 3.5394 3.5394 3.9422 3.9422 5.3751 5.3751 5.3945 5.3945 6.5941 6.5941 6.9036 6.9036 6.9191 6.9191 8.3597 8.3597 12.6550 12.6550 12.7270 12.7270 13.5934 13.5934 14.8243 14.8243 k = 0.5000 0.5000 0.0757 ( 2476 PWs) bands (ev): -46.4213 -46.4213 -24.0763 -24.0763 -22.0270 -22.0270 -22.0147 -22.0147 -19.0125 -19.0125 -8.4760 -8.4760 -7.5173 -7.5173 -7.4113 -7.4113 -2.7671 -2.7671 -2.5398 -2.5398 -2.4601 -2.4601 3.1162 3.1162 3.5391 3.5391 3.9522 3.9522 5.3456 5.3456 5.3645 5.3645 6.5242 6.5242 6.9407 6.9407 6.9564 6.9564 8.3602 8.3602 12.6672 12.6672 12.7392 12.7392 13.5947 13.5947 14.9032 14.9032 k = 0.5000 0.5000 0.0883 ( 2476 PWs) bands (ev): -46.4213 -46.4213 -24.0769 -24.0769 -22.0269 -22.0269 -22.0164 -22.0164 -19.0123 -19.0123 -8.4587 -8.4587 -7.5158 -7.5158 -7.4099 -7.4099 -2.7717 -2.7717 -2.5442 -2.5442 -2.4662 -2.4662 3.1164 3.1164 3.5387 3.5387 3.9637 3.9637 5.3129 5.3129 5.3312 5.3312 6.4440 6.4440 6.9823 6.9823 6.9982 6.9982 8.3609 8.3609 12.6816 12.6816 12.7536 12.7536 13.5962 13.5962 14.9936 14.9936 k = 0.5000 0.5000 0.1009 ( 2476 PWs) bands (ev): -46.4212 -46.4212 -24.0775 -24.0775 -22.0268 -22.0268 -22.0183 -22.0183 -19.0120 -19.0120 -8.4391 -8.4391 -7.5141 -7.5141 -7.4084 -7.4084 -2.7770 -2.7770 -2.5493 -2.5493 -2.4732 -2.4732 3.1167 3.1167 3.5383 3.5383 3.9769 3.9769 5.2777 5.2777 5.2954 5.2954 6.3547 6.3547 7.0276 7.0276 7.0437 7.0437 8.3617 8.3617 12.6981 12.6981 12.7701 12.7701 13.5980 13.5980 15.0944 15.0944 k = 0.5000 0.5000 0.1135 ( 2468 PWs) bands (ev): -46.4211 -46.4211 -24.0781 -24.0781 -22.0267 -22.0267 -22.0204 -22.0204 -19.0117 -19.0117 -8.4171 -8.4171 -7.5122 -7.5122 -7.4067 -7.4067 -2.7828 -2.7828 -2.5549 -2.5549 -2.4808 -2.4808 3.1170 3.1170 3.5376 3.5376 3.9915 3.9915 5.2406 5.2406 5.2576 5.2576 6.2574 6.2574 7.0759 7.0759 7.0922 7.0922 8.3625 8.3625 12.7167 12.7167 12.7888 12.7888 13.5999 13.5999 15.2040 15.2040 k = 0.5000 0.5000 0.1261 ( 2468 PWs) bands (ev): -46.4210 -46.4210 -24.0788 -24.0788 -22.0265 -22.0265 -22.0227 -22.0227 -19.0114 -19.0114 -8.3929 -8.3929 -7.5102 -7.5102 -7.4048 -7.4048 -2.7892 -2.7892 -2.5611 -2.5611 -2.4893 -2.4893 3.1174 3.1174 3.5369 3.5369 4.0074 4.0074 5.2021 5.2021 5.2185 5.2185 6.1531 6.1531 7.1266 7.1266 7.1431 7.1431 8.3635 8.3635 12.7374 12.7374 12.8095 12.8095 13.6020 13.6020 15.3212 15.3212 k = 0.5000 0.5000 0.1387 ( 2468 PWs) bands (ev): -46.4210 -46.4210 -24.0796 -24.0796 -22.0263 -22.0263 -22.0252 -22.0252 -19.0110 -19.0110 -8.3666 -8.3666 -7.5079 -7.5079 -7.4027 -7.4027 -2.7961 -2.7961 -2.5677 -2.5677 -2.4983 -2.4983 3.1177 3.1177 3.5359 3.5359 4.0246 4.0246 5.1627 5.1627 5.1784 5.1784 6.0430 6.0430 7.1791 7.1791 7.1956 7.1956 8.3645 8.3645 12.7602 12.7602 12.8323 12.8323 13.6043 13.6043 15.4443 15.4443 k = 0.5000 0.5000 0.1513 ( 2468 PWs) bands (ev): -46.4209 -46.4209 -24.0805 -24.0805 -22.0279 -22.0279 -22.0262 -22.0262 -19.0106 -19.0106 -8.3383 -8.3383 -7.5055 -7.5055 -7.4005 -7.4005 -2.8035 -2.8035 -2.5749 -2.5749 -2.5080 -2.5080 3.1181 3.1181 3.5346 3.5346 4.0430 4.0430 5.1229 5.1229 5.1379 5.1379 5.9282 5.9282 7.2329 7.2329 7.2495 7.2495 8.3656 8.3656 12.7849 12.7849 12.8571 12.8571 13.6068 13.6068 15.5720 15.5720 k = 0.5000 0.5000 0.1639 ( 2468 PWs) bands (ev): -46.4208 -46.4208 -24.0814 -24.0814 -22.0307 -22.0307 -22.0260 -22.0260 -19.0102 -19.0102 -8.3083 -8.3083 -7.5029 -7.5029 -7.3982 -7.3982 -2.8113 -2.8113 -2.5824 -2.5824 -2.5181 -2.5181 3.1186 3.1186 3.5331 3.5331 4.0624 4.0624 5.0829 5.0829 5.0973 5.0973 5.8097 5.8097 7.2875 7.2875 7.3041 7.3041 8.3667 8.3667 12.8115 12.8115 12.8838 12.8838 13.6093 13.6093 15.7027 15.7027 k = 0.5000 0.5000 0.1765 ( 2460 PWs) bands (ev): -46.4206 -46.4206 -24.0823 -24.0823 -22.0336 -22.0336 -22.0258 -22.0258 -19.0097 -19.0097 -8.2766 -8.2766 -7.5002 -7.5002 -7.3958 -7.3958 -2.8195 -2.8195 -2.5902 -2.5902 -2.5286 -2.5286 3.1190 3.1190 3.5312 3.5312 4.0827 4.0827 5.0431 5.0431 5.0569 5.0569 5.6885 5.6885 7.3425 7.3425 7.3591 7.3591 8.3679 8.3679 12.8400 12.8400 12.9124 12.9124 13.6120 13.6120 15.8346 15.8346 k = 0.5000 0.5000 0.1892 ( 2460 PWs) bands (ev): -46.4206 -46.4206 -24.0833 -24.0833 -22.0367 -22.0367 -22.0256 -22.0256 -19.0093 -19.0093 -8.2434 -8.2434 -7.4973 -7.4973 -7.3932 -7.3932 -2.8280 -2.8280 -2.5984 -2.5984 -2.5395 -2.5395 3.1194 3.1194 3.5289 3.5289 4.1038 4.1038 5.0038 5.0038 5.0169 5.0169 5.5656 5.5656 7.3976 7.3976 7.4141 7.4141 8.3692 8.3692 12.8703 12.8703 12.9427 12.9427 13.6148 13.6148 15.9661 15.9661 k = 0.5000 0.5000 0.2018 ( 2460 PWs) bands (ev): -46.4205 -46.4205 -24.0843 -24.0843 -22.0398 -22.0398 -22.0254 -22.0254 -19.0088 -19.0088 -8.2090 -8.2090 -7.4943 -7.4943 -7.3906 -7.3906 -2.8368 -2.8368 -2.6069 -2.6069 -2.5507 -2.5507 3.1199 3.1199 3.5261 3.5261 4.1254 4.1254 4.9650 4.9650 4.9776 4.9776 5.4420 5.4420 7.4524 7.4524 7.4688 7.4688 8.3705 8.3705 12.9022 12.9022 12.9747 12.9747 13.6177 13.6177 16.0953 16.0953 k = 0.5000 0.5000 0.2144 ( 2460 PWs) bands (ev): -46.4204 -46.4204 -24.0854 -24.0854 -22.0430 -22.0430 -22.0252 -22.0252 -19.0084 -19.0084 -8.1735 -8.1735 -7.4912 -7.4912 -7.3879 -7.3879 -2.8458 -2.8458 -2.6155 -2.6155 -2.5621 -2.5621 3.1204 3.1204 3.5227 3.5227 4.1476 4.1476 4.9272 4.9272 4.9391 4.9391 5.3185 5.3185 7.5066 7.5066 7.5229 7.5229 8.3718 8.3718 12.9356 12.9356 13.0082 13.0082 13.6206 13.6206 16.2202 16.2202 k = 0.5000 0.5000 0.2270 ( 2460 PWs) bands (ev): -46.4203 -46.4203 -24.0864 -24.0864 -22.0463 -22.0463 -22.0250 -22.0250 -19.0079 -19.0079 -8.1371 -8.1371 -7.4879 -7.4879 -7.3851 -7.3851 -2.8549 -2.8549 -2.6243 -2.6243 -2.5736 -2.5736 3.1209 3.1209 3.5186 3.5186 4.1700 4.1700 4.8903 4.8903 4.9017 4.9017 5.1961 5.1961 7.5600 7.5600 7.5761 7.5761 8.3731 8.3731 12.9705 12.9705 13.0432 13.0432 13.6237 13.6237 16.3389 16.3389 k = 0.5000 0.5000 0.2396 ( 2460 PWs) bands (ev): -46.4203 -46.4203 -24.0875 -24.0875 -22.0495 -22.0495 -22.0248 -22.0248 -19.0074 -19.0074 -8.1001 -8.1001 -7.4846 -7.4846 -7.3823 -7.3823 -2.8641 -2.8641 -2.6331 -2.6331 -2.5852 -2.5852 3.1214 3.1214 3.5137 3.5137 4.1927 4.1927 4.8544 4.8544 4.8654 4.8654 5.0757 5.0757 7.6122 7.6122 7.6281 7.6281 8.3745 8.3745 13.0066 13.0066 13.0793 13.0793 13.6267 13.6267 16.4495 16.4495 k = 0.5000 0.5000 0.2522 ( 2452 PWs) bands (ev): -46.4201 -46.4201 -24.0886 -24.0886 -22.0528 -22.0528 -22.0246 -22.0246 -19.0069 -19.0069 -8.0628 -8.0628 -7.4811 -7.4811 -7.3795 -7.3795 -2.8734 -2.8734 -2.6420 -2.6420 -2.5967 -2.5967 3.1219 3.1219 3.5077 3.5077 4.2154 4.2154 4.8196 4.8196 4.8304 4.8304 4.9582 4.9582 7.6631 7.6631 7.6788 7.6788 8.3759 8.3759 13.0438 13.0438 13.1165 13.1165 13.6299 13.6299 16.5500 16.5500 k = 0.5000 0.5000 0.2648 ( 2452 PWs) bands (ev): -46.4200 -46.4200 -24.0896 -24.0896 -22.0560 -22.0560 -22.0244 -22.0244 -19.0064 -19.0064 -8.0252 -8.0252 -7.4776 -7.4776 -7.3767 -7.3767 -2.8826 -2.8826 -2.6509 -2.6509 -2.6081 -2.6081 3.1224 3.1224 3.5005 3.5005 4.2380 4.2380 4.7850 4.7850 4.7968 4.7968 4.8454 4.8454 7.7124 7.7124 7.7279 7.7279 8.3772 8.3772 13.0820 13.0820 13.1545 13.1545 13.6330 13.6330 16.6390 16.6390 k = 0.5000 0.5000 0.2774 ( 2436 PWs) bands (ev): -46.4197 -46.4197 -24.0907 -24.0907 -22.0592 -22.0592 -22.0242 -22.0242 -19.0059 -19.0059 -7.9878 -7.9878 -7.4739 -7.4739 -7.3739 -7.3739 -2.8917 -2.8917 -2.6596 -2.6596 -2.6193 -2.6193 3.1229 3.1229 3.4920 3.4920 4.2603 4.2603 4.7272 4.7272 4.7615 4.7615 4.7647 4.7647 7.7599 7.7599 7.7752 7.7752 8.3786 8.3786 13.1208 13.1208 13.1932 13.1932 13.6362 13.6362 16.7156 16.7156 k = 0.5000 0.5000 0.2900 ( 2436 PWs) bands (ev): -46.4196 -46.4196 -24.0917 -24.0917 -22.0623 -22.0623 -22.0240 -22.0240 -19.0054 -19.0054 -7.9507 -7.9507 -7.4702 -7.4702 -7.3712 -7.3712 -2.9007 -2.9007 -2.6683 -2.6683 -2.6303 -2.6303 3.1234 3.1234 3.4818 3.4818 4.2822 4.2822 4.6261 4.6261 4.7276 4.7276 4.7341 4.7341 7.8056 7.8056 7.8206 7.8206 8.3799 8.3799 13.1600 13.1600 13.2321 13.2321 13.6395 13.6395 16.7796 16.7796 k = 0.5000 0.5000 0.3026 ( 2436 PWs) bands (ev): -46.4196 -46.4196 -24.0928 -24.0928 -22.0654 -22.0654 -22.0238 -22.0238 -19.0049 -19.0049 -7.9144 -7.9144 -7.4665 -7.4665 -7.3685 -7.3685 -2.9095 -2.9095 -2.6767 -2.6767 -2.6410 -2.6410 3.1238 3.1238 3.4697 3.4697 4.3037 4.3037 4.5277 4.5277 4.6985 4.6985 4.7051 4.7051 7.8492 7.8492 7.8639 7.8639 8.3812 8.3812 13.1995 13.1995 13.2711 13.2711 13.6428 13.6428 16.8314 16.8314 k = 0.5000 0.5000 0.3153 ( 2428 PWs) bands (ev): -46.4194 -46.4194 -24.0938 -24.0938 -22.0683 -22.0683 -22.0236 -22.0236 -19.0045 -19.0045 -7.8789 -7.8789 -7.4626 -7.4626 -7.3659 -7.3659 -2.9180 -2.9180 -2.6849 -2.6849 -2.6513 -2.6513 3.1243 3.1243 3.4555 3.4555 4.3244 4.3244 4.4356 4.4356 4.6714 4.6714 4.6778 4.6778 7.8905 7.8905 7.9050 7.9050 8.3825 8.3825 13.2388 13.2388 13.3097 13.3097 13.6463 13.6463 16.8722 16.8722 k = 0.5000 0.5000 0.3279 ( 2456 PWs) bands (ev): -46.4197 -46.4197 -24.0948 -24.0948 -22.0712 -22.0712 -22.0234 -22.0234 -19.0041 -19.0041 -7.8447 -7.8447 -7.4586 -7.4586 -7.3634 -7.3634 -2.9263 -2.9263 -2.6928 -2.6928 -2.6613 -2.6613 3.1247 3.1247 3.4390 3.4390 4.3443 4.3443 4.3508 4.3508 4.6461 4.6461 4.6522 4.6522 7.9295 7.9295 7.9437 7.9437 8.3837 8.3837 13.2776 13.2776 13.3476 13.3476 13.6497 13.6497 16.9034 16.9034 k = 0.5000 0.5000 0.3405 ( 2456 PWs) bands (ev): -46.4196 -46.4196 -24.0957 -24.0957 -22.0739 -22.0739 -22.0232 -22.0232 -19.0037 -19.0037 -7.8120 -7.8120 -7.4546 -7.4546 -7.3610 -7.3610 -2.9341 -2.9341 -2.7003 -2.7003 -2.6707 -2.6707 3.1251 3.1251 3.4200 3.4200 4.2739 4.2739 4.3633 4.3633 4.6226 4.6226 4.6283 4.6283 7.9660 7.9660 7.9800 7.9800 8.3849 8.3849 13.3157 13.3157 13.3845 13.3845 13.6534 13.6534 16.9265 16.9265 k = 0.5000 0.5000 0.3531 ( 2464 PWs) bands (ev): -46.4196 -46.4196 -24.0966 -24.0966 -22.0765 -22.0765 -22.0231 -22.0231 -19.0033 -19.0033 -7.7810 -7.7810 -7.4505 -7.4505 -7.3587 -7.3587 -2.9415 -2.9415 -2.7075 -2.7075 -2.6796 -2.6796 3.1255 3.1255 3.3986 3.3986 4.2054 4.2054 4.3813 4.3813 4.6009 4.6009 4.6063 4.6063 7.9999 7.9999 8.0136 8.0136 8.3860 8.3860 13.3527 13.3527 13.4198 13.4198 13.6575 13.6575 16.9432 16.9432 k = 0.5000 0.5000 0.3657 ( 2464 PWs) bands (ev): -46.4196 -46.4196 -24.0974 -24.0974 -22.0789 -22.0789 -22.0229 -22.0229 -19.0029 -19.0029 -7.7521 -7.7521 -7.4463 -7.4463 -7.3565 -7.3565 -2.9484 -2.9484 -2.7141 -2.7141 -2.6879 -2.6879 3.1259 3.1259 3.3750 3.3750 4.1454 4.1454 4.3981 4.3981 4.5810 4.5810 4.5861 4.5861 8.0312 8.0312 8.0447 8.0447 8.3870 8.3870 13.3883 13.3883 13.4531 13.4531 13.6620 13.6620 16.9547 16.9547 k = 0.5000 0.5000 0.3783 ( 2464 PWs) bands (ev): -46.4195 -46.4195 -24.0982 -24.0982 -22.0811 -22.0811 -22.0228 -22.0228 -19.0026 -19.0026 -7.7255 -7.7255 -7.4420 -7.4420 -7.3545 -7.3545 -2.9549 -2.9549 -2.7203 -2.7203 -2.6955 -2.6955 3.1262 3.1262 3.3496 3.3496 4.0938 4.0938 4.4136 4.4136 4.5630 4.5630 4.5677 4.5677 8.0597 8.0597 8.0729 8.0729 8.3880 8.3880 13.4220 13.4220 13.4838 13.4838 13.6670 13.6670 16.9624 16.9624 k = 0.5000 0.5000 0.3909 ( 2464 PWs) bands (ev): -46.4195 -46.4195 -24.0989 -24.0989 -22.0831 -22.0831 -22.0226 -22.0226 -19.0023 -19.0023 -7.7014 -7.7014 -7.4377 -7.4377 -7.3527 -7.3527 -2.9607 -2.9607 -2.7259 -2.7259 -2.7025 -2.7025 3.1266 3.1266 3.3233 3.3233 4.0504 4.0504 4.4278 4.4278 4.5468 4.5468 4.5512 4.5512 8.0854 8.0854 8.0984 8.0984 8.3889 8.3889 13.4536 13.4536 13.5114 13.5114 13.6728 13.6728 16.9671 16.9671 k = 0.5000 0.5000 0.4035 ( 2464 PWs) bands (ev): -46.4194 -46.4194 -24.0995 -24.0995 -22.0849 -22.0849 -22.0225 -22.0225 -19.0020 -19.0020 -7.6800 -7.6800 -7.4335 -7.4335 -7.3511 -7.3511 -2.9660 -2.9660 -2.7310 -2.7310 -2.7087 -2.7087 3.1268 3.1268 3.2968 3.2968 4.0144 4.0144 4.4405 4.4405 4.5324 4.5324 4.5366 4.5366 8.1081 8.1081 8.1210 8.1210 8.3897 8.3897 13.4825 13.4825 13.5354 13.5354 13.6795 13.6795 16.9696 16.9696 k = 0.5000 0.5000 0.4161 ( 2456 PWs) bands (ev): -46.4193 -46.4193 -24.1001 -24.1001 -22.0865 -22.0865 -22.0224 -22.0224 -19.0017 -19.0017 -7.6615 -7.6615 -7.4293 -7.4293 -7.3496 -7.3496 -2.9706 -2.9706 -2.7354 -2.7354 -2.7141 -2.7141 3.1271 3.1271 3.2713 3.2713 3.9852 3.9852 4.4517 4.4517 4.5200 4.5200 4.5240 4.5240 8.1280 8.1280 8.1407 8.1407 8.3904 8.3904 13.5085 13.5085 13.5553 13.5553 13.6871 13.6871 16.9707 16.9707 k = 0.5000 0.5000 0.4288 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1005 -24.1005 -22.0878 -22.0878 -22.0223 -22.0223 -19.0015 -19.0015 -7.6458 -7.6458 -7.4254 -7.4254 -7.3484 -7.3484 -2.9745 -2.9745 -2.7392 -2.7392 -2.7188 -2.7188 3.1273 3.1273 3.2478 3.2478 3.9620 3.9620 4.4613 4.4613 4.5094 4.5094 4.5132 4.5132 8.1449 8.1449 8.1574 8.1574 8.3910 8.3910 13.5312 13.5312 13.5711 13.5711 13.6953 13.6953 16.9708 16.9708 k = 0.5000 0.5000 0.4414 ( 2452 PWs) bands (ev): -46.4192 -46.4192 -24.1009 -24.1009 -22.0889 -22.0889 -22.0222 -22.0222 -19.0014 -19.0014 -7.6330 -7.6330 -7.4219 -7.4219 -7.3474 -7.3474 -2.9778 -2.9778 -2.7424 -2.7424 -2.7226 -2.7226 3.1275 3.1275 3.2271 3.2271 3.9441 3.9441 4.4693 4.4693 4.5008 4.5008 4.5044 4.5044 8.1587 8.1587 8.1712 8.1712 8.3915 8.3915 13.5503 13.5503 13.5829 13.5829 13.7035 13.7035 16.9704 16.9704 k = 0.5000 0.5000 0.4540 ( 2452 PWs) bands (ev): -46.4191 -46.4191 -24.1012 -24.1012 -22.0898 -22.0898 -22.0222 -22.0222 -19.0012 -19.0012 -7.6232 -7.6232 -7.4189 -7.4189 -7.3466 -7.3466 -2.9804 -2.9804 -2.7449 -2.7449 -2.7256 -2.7256 3.1276 3.1276 3.2102 3.2102 3.9309 3.9309 4.4755 4.4755 4.4940 4.4940 4.4975 4.4975 8.1695 8.1695 8.1819 8.1819 8.3919 8.3919 13.5654 13.5654 13.5914 13.5914 13.7110 13.7110 16.9697 16.9697 k = 0.5000 0.5000 0.4666 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1015 -24.1015 -22.0904 -22.0904 -22.0221 -22.0221 -19.0011 -19.0011 -7.6163 -7.6163 -7.4166 -7.4166 -7.3460 -7.3460 -2.9823 -2.9823 -2.7466 -2.7466 -2.7278 -2.7278 3.1277 3.1277 3.1976 3.1976 3.9217 3.9217 4.4800 4.4800 4.4892 4.4892 4.4926 4.4926 8.1772 8.1772 8.1896 8.1896 8.3922 8.3922 13.5763 13.5763 13.5969 13.5969 13.7170 13.7170 16.9690 16.9690 k = 0.5000 0.5000 0.4792 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1016 -22.0908 -22.0908 -22.0221 -22.0221 -19.0011 -19.0011 -7.6121 -7.6121 -7.4152 -7.4152 -7.3456 -7.3456 -2.9834 -2.9834 -2.7477 -2.7477 -2.7291 -2.7291 3.1278 3.1278 3.1899 3.1899 3.9164 3.9164 4.4827 4.4827 4.4863 4.4863 4.4897 4.4897 8.1819 8.1819 8.1942 8.1942 8.3923 8.3923 13.5830 13.5830 13.6000 13.6000 13.7209 13.7209 16.9685 16.9685 k = 0.5000 0.5000 0.4918 ( 2456 PWs) bands (ev): -46.4192 -46.4192 -24.1016 -24.1016 -22.0909 -22.0909 -22.0221 -22.0221 -19.0011 -19.0011 -7.6107 -7.6107 -7.4147 -7.4147 -7.3455 -7.3455 -2.9837 -2.9837 -2.7481 -2.7481 -2.7296 -2.7296 3.1278 3.1278 3.1873 3.1873 3.9147 3.9147 4.4836 4.4836 4.4854 4.4854 4.4887 4.4887 8.1834 8.1834 8.1957 8.1957 8.3924 8.3924 13.5852 13.5852 13.6011 13.6011 13.7222 13.7222 16.9684 16.9684 Writing output data file KNbO3.save init_run : 10.13s CPU 21.75s WALL ( 1 calls) electrons : 285.60s CPU 297.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 1.40s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 285.59s CPU 297.14s 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 : 0.03s CPU 0.03s WALL ( 398 calls) cegterg : 254.93s CPU 259.44s WALL ( 711 calls) Called by sum_band: Called by *egterg: h_psi : 115.44s CPU 118.91s WALL ( 12643 calls) s_psi : 15.83s CPU 16.05s WALL ( 12643 calls) g_psi : 0.27s CPU 0.30s WALL ( 11534 calls) cdiaghg : 101.48s CPU 102.88s WALL ( 11932 calls) cegterg:over : 13.11s CPU 13.21s WALL ( 11534 calls) cegterg:upda : 9.87s CPU 9.80s WALL ( 11534 calls) cegterg:last : 6.43s CPU 6.41s WALL ( 2099 calls) cdiaghg:chol : 4.85s CPU 5.00s WALL ( 11932 calls) cdiaghg:inve : 3.75s CPU 3.77s WALL ( 11932 calls) cdiaghg:para : 8.50s CPU 8.60s WALL ( 23864 calls) Called by h_psi: h_psi:vloc : 96.51s CPU 99.54s WALL ( 12643 calls) h_psi:vnl : 18.67s CPU 19.09s WALL ( 12643 calls) add_vuspsi : 8.89s CPU 9.19s WALL ( 12643 calls) General routines calbec : 9.72s CPU 9.85s WALL ( 12643 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 90.40s CPU 93.38s WALL ( 1247328 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.14s WALL ( 796 calls) Parallel routines fft_scatter : 44.43s CPU 45.97s WALL ( 1247351 calls) PWSCF : 5m26.55s CPU 20m54.66s WALL This run was terminated on: 17:48:52 3Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=