Program PWSCF v.5.1.1 starts on 1Nov2015 at 12:44:29 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: ./NbCu3Se4.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 36 10 1864 1132 172 Max 51 37 11 1869 1147 179 Sum 2417 1749 497 89583 54795 8385 bravais-lattice index = 14 lattice parameter (alat) = 10.6770 a.u. unit-cell volume = 1217.1437 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.676952 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for Nb read from file: /home/autes/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. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Nb 13.00 92.90640 Nb( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 Dense grid: 89583 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 54795 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 286, 84) NL pseudopotentials 0.36 Mb ( 143, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1869) G-vector shells 0.00 Mb ( 478) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 286, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.42 Mb ( 164, 2, 84) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NbCu3Se4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.6 secs Computing kpt #: 5 total cpu time spent up to now is 82.9 secs Computing kpt #: 6 total cpu time spent up to now is 90.6 secs Computing kpt #: 7 total cpu time spent up to now is 97.7 secs Computing kpt #: 8 total cpu time spent up to now is 104.0 secs Computing kpt #: 9 total cpu time spent up to now is 110.8 secs Computing kpt #: 10 total cpu time spent up to now is 116.5 secs Computing kpt #: 11 total cpu time spent up to now is 122.3 secs Computing kpt #: 12 total cpu time spent up to now is 127.9 secs Computing kpt #: 13 total cpu time spent up to now is 133.6 secs Computing kpt #: 14 total cpu time spent up to now is 139.2 secs Computing kpt #: 15 total cpu time spent up to now is 144.5 secs Computing kpt #: 16 total cpu time spent up to now is 149.6 secs Computing kpt #: 17 total cpu time spent up to now is 154.4 secs Computing kpt #: 18 total cpu time spent up to now is 159.2 secs Computing kpt #: 19 total cpu time spent up to now is 163.9 secs Computing kpt #: 20 total cpu time spent up to now is 168.7 secs Computing kpt #: 21 total cpu time spent up to now is 173.5 secs Computing kpt #: 22 total cpu time spent up to now is 178.4 secs Computing kpt #: 23 total cpu time spent up to now is 183.2 secs Computing kpt #: 24 total cpu time spent up to now is 187.9 secs Computing kpt #: 25 total cpu time spent up to now is 192.5 secs Computing kpt #: 26 total cpu time spent up to now is 197.1 secs Computing kpt #: 27 total cpu time spent up to now is 201.7 secs Computing kpt #: 28 total cpu time spent up to now is 206.2 secs Computing kpt #: 29 total cpu time spent up to now is 210.8 secs Computing kpt #: 30 total cpu time spent up to now is 215.4 secs Computing kpt #: 31 total cpu time spent up to now is 220.2 secs Computing kpt #: 32 total cpu time spent up to now is 224.9 secs Computing kpt #: 33 total cpu time spent up to now is 229.8 secs Computing kpt #: 34 total cpu time spent up to now is 234.6 secs Computing kpt #: 35 total cpu time spent up to now is 239.5 secs Computing kpt #: 36 total cpu time spent up to now is 244.3 secs Computing kpt #: 37 total cpu time spent up to now is 249.2 secs Computing kpt #: 38 total cpu time spent up to now is 254.1 secs Computing kpt #: 39 total cpu time spent up to now is 259.0 secs Computing kpt #: 40 total cpu time spent up to now is 264.1 secs Computing kpt #: 41 total cpu time spent up to now is 269.2 secs Computing kpt #: 42 total cpu time spent up to now is 274.2 secs Computing kpt #: 43 total cpu time spent up to now is 279.4 secs Computing kpt #: 44 total cpu time spent up to now is 284.5 secs Computing kpt #: 45 total cpu time spent up to now is 289.2 secs Computing kpt #: 46 total cpu time spent up to now is 293.6 secs Computing kpt #: 47 total cpu time spent up to now is 297.9 secs Computing kpt #: 48 total cpu time spent up to now is 302.1 secs Computing kpt #: 49 total cpu time spent up to now is 306.3 secs Computing kpt #: 50 total cpu time spent up to now is 310.3 secs Computing kpt #: 51 total cpu time spent up to now is 314.6 secs Computing kpt #: 52 total cpu time spent up to now is 318.7 secs Computing kpt #: 53 total cpu time spent up to now is 322.9 secs Computing kpt #: 54 total cpu time spent up to now is 327.1 secs Computing kpt #: 55 total cpu time spent up to now is 331.9 secs Computing kpt #: 56 total cpu time spent up to now is 336.0 secs Computing kpt #: 57 total cpu time spent up to now is 340.1 secs Computing kpt #: 58 total cpu time spent up to now is 344.0 secs Computing kpt #: 59 total cpu time spent up to now is 347.9 secs Computing kpt #: 60 total cpu time spent up to now is 351.9 secs Computing kpt #: 61 total cpu time spent up to now is 356.0 secs Computing kpt #: 62 total cpu time spent up to now is 360.2 secs Computing kpt #: 63 total cpu time spent up to now is 364.4 secs Computing kpt #: 64 total cpu time spent up to now is 368.5 secs Computing kpt #: 65 total cpu time spent up to now is 372.6 secs Computing kpt #: 66 total cpu time spent up to now is 376.8 secs Computing kpt #: 67 total cpu time spent up to now is 381.0 secs Computing kpt #: 68 total cpu time spent up to now is 385.3 secs Computing kpt #: 69 total cpu time spent up to now is 389.8 secs Computing kpt #: 70 total cpu time spent up to now is 394.5 secs Computing kpt #: 71 total cpu time spent up to now is 399.6 secs Computing kpt #: 72 total cpu time spent up to now is 404.9 secs Computing kpt #: 73 total cpu time spent up to now is 410.1 secs Computing kpt #: 74 total cpu time spent up to now is 415.4 secs Computing kpt #: 75 total cpu time spent up to now is 420.7 secs Computing kpt #: 76 total cpu time spent up to now is 425.8 secs Computing kpt #: 77 total cpu time spent up to now is 431.0 secs Computing kpt #: 78 total cpu time spent up to now is 436.0 secs Computing kpt #: 79 total cpu time spent up to now is 441.0 secs Computing kpt #: 80 total cpu time spent up to now is 446.1 secs Computing kpt #: 81 total cpu time spent up to now is 451.1 secs Computing kpt #: 82 total cpu time spent up to now is 456.5 secs Computing kpt #: 83 total cpu time spent up to now is 462.1 secs Computing kpt #: 84 total cpu time spent up to now is 470.5 secs Computing kpt #: 85 total cpu time spent up to now is 478.9 secs Computing kpt #: 86 total cpu time spent up to now is 486.0 secs Computing kpt #: 87 total cpu time spent up to now is 493.1 secs Computing kpt #: 88 total cpu time spent up to now is 501.6 secs Computing kpt #: 89 total cpu time spent up to now is 509.5 secs Computing kpt #: 90 total cpu time spent up to now is 516.3 secs Computing kpt #: 91 total cpu time spent up to now is 524.4 secs Computing kpt #: 92 total cpu time spent up to now is 533.0 secs Computing kpt #: 93 total cpu time spent up to now is 541.5 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.6 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.7 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.8 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.7 secs Computing kpt #: 99 total cpu time spent up to now is 598.7 secs Computing kpt #: 100 total cpu time spent up to now is 603.5 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.1 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 652.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 662.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 682.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 721.8 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 741.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.5 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 761.0 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 770.8 secs Computing kpt #: 118 total cpu time spent up to now is 776.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 786.1 secs Computing kpt #: 120 total cpu time spent up to now is 791.1 secs Computing kpt #: 121 total cpu time spent up to now is 796.2 secs Computing kpt #: 122 total cpu time spent up to now is 801.2 secs Computing kpt #: 123 total cpu time spent up to now is 805.9 secs Computing kpt #: 124 total cpu time spent up to now is 810.4 secs Computing kpt #: 125 total cpu time spent up to now is 815.1 secs Computing kpt #: 126 total cpu time spent up to now is 819.7 secs Computing kpt #: 127 total cpu time spent up to now is 824.4 secs Computing kpt #: 128 total cpu time spent up to now is 829.0 secs Computing kpt #: 129 total cpu time spent up to now is 833.6 secs Computing kpt #: 130 total cpu time spent up to now is 838.2 secs Computing kpt #: 131 total cpu time spent up to now is 842.7 secs Computing kpt #: 132 total cpu time spent up to now is 847.1 secs Computing kpt #: 133 total cpu time spent up to now is 851.7 secs Computing kpt #: 134 total cpu time spent up to now is 856.2 secs Computing kpt #: 135 total cpu time spent up to now is 860.7 secs Computing kpt #: 136 total cpu time spent up to now is 864.9 secs Computing kpt #: 137 total cpu time spent up to now is 869.2 secs Computing kpt #: 138 total cpu time spent up to now is 873.6 secs Computing kpt #: 139 total cpu time spent up to now is 878.0 secs Computing kpt #: 140 total cpu time spent up to now is 883.3 secs Computing kpt #: 141 total cpu time spent up to now is 887.7 secs Computing kpt #: 142 total cpu time spent up to now is 892.1 secs Computing kpt #: 143 total cpu time spent up to now is 896.6 secs Computing kpt #: 144 total cpu time spent up to now is 901.0 secs Computing kpt #: 145 total cpu time spent up to now is 905.4 secs Computing kpt #: 146 total cpu time spent up to now is 909.8 secs Computing kpt #: 147 total cpu time spent up to now is 914.3 secs Computing kpt #: 148 total cpu time spent up to now is 918.7 secs Computing kpt #: 149 total cpu time spent up to now is 923.0 secs Computing kpt #: 150 total cpu time spent up to now is 927.4 secs Computing kpt #: 151 total cpu time spent up to now is 931.9 secs Computing kpt #: 152 total cpu time spent up to now is 936.5 secs Computing kpt #: 153 total cpu time spent up to now is 941.0 secs Computing kpt #: 154 total cpu time spent up to now is 945.4 secs Computing kpt #: 155 total cpu time spent up to now is 949.7 secs Computing kpt #: 156 total cpu time spent up to now is 954.1 secs Computing kpt #: 157 total cpu time spent up to now is 958.3 secs Computing kpt #: 158 total cpu time spent up to now is 962.6 secs Computing kpt #: 159 total cpu time spent up to now is 966.8 secs Computing kpt #: 160 total cpu time spent up to now is 971.0 secs Computing kpt #: 161 total cpu time spent up to now is 975.1 secs Computing kpt #: 162 total cpu time spent up to now is 979.2 secs Computing kpt #: 163 total cpu time spent up to now is 983.4 secs Computing kpt #: 164 total cpu time spent up to now is 987.5 secs Computing kpt #: 165 total cpu time spent up to now is 991.3 secs Computing kpt #: 166 total cpu time spent up to now is 995.1 secs Computing kpt #: 167 total cpu time spent up to now is 999.2 secs Computing kpt #: 168 total cpu time spent up to now is 1003.3 secs Computing kpt #: 169 total cpu time spent up to now is 1007.5 secs Computing kpt #: 170 total cpu time spent up to now is 1011.6 secs Computing kpt #: 171 total cpu time spent up to now is 1015.8 secs Computing kpt #: 172 total cpu time spent up to now is 1020.0 secs Computing kpt #: 173 total cpu time spent up to now is 1024.3 secs Computing kpt #: 174 total cpu time spent up to now is 1028.5 secs Computing kpt #: 175 total cpu time spent up to now is 1032.9 secs Computing kpt #: 176 total cpu time spent up to now is 1037.2 secs Computing kpt #: 177 total cpu time spent up to now is 1041.7 secs Computing kpt #: 178 total cpu time spent up to now is 1046.2 secs Computing kpt #: 179 total cpu time spent up to now is 1051.2 secs Computing kpt #: 180 total cpu time spent up to now is 1056.2 secs Computing kpt #: 181 total cpu time spent up to now is 1061.2 secs Computing kpt #: 182 total cpu time spent up to now is 1066.3 secs Computing kpt #: 183 total cpu time spent up to now is 1071.5 secs Computing kpt #: 184 total cpu time spent up to now is 1076.4 secs Computing kpt #: 185 total cpu time spent up to now is 1081.3 secs Computing kpt #: 186 total cpu time spent up to now is 1086.1 secs Computing kpt #: 187 total cpu time spent up to now is 1090.9 secs Computing kpt #: 188 total cpu time spent up to now is 1095.6 secs Computing kpt #: 189 total cpu time spent up to now is 1100.4 secs Computing kpt #: 190 total cpu time spent up to now is 1104.9 secs Computing kpt #: 191 total cpu time spent up to now is 1108.8 secs Computing kpt #: 192 total cpu time spent up to now is 1112.6 secs Computing kpt #: 193 total cpu time spent up to now is 1116.5 secs Computing kpt #: 194 total cpu time spent up to now is 1120.4 secs Computing kpt #: 195 total cpu time spent up to now is 1124.3 secs Computing kpt #: 196 total cpu time spent up to now is 1128.2 secs Computing kpt #: 197 total cpu time spent up to now is 1132.2 secs Computing kpt #: 198 total cpu time spent up to now is 1136.3 secs Computing kpt #: 199 total cpu time spent up to now is 1140.2 secs Computing kpt #: 200 total cpu time spent up to now is 1144.2 secs Computing kpt #: 201 total cpu time spent up to now is 1148.2 secs Computing kpt #: 202 total cpu time spent up to now is 1152.2 secs Computing kpt #: 203 total cpu time spent up to now is 1156.2 secs Computing kpt #: 204 total cpu time spent up to now is 1160.3 secs Computing kpt #: 205 total cpu time spent up to now is 1164.4 secs Computing kpt #: 206 total cpu time spent up to now is 1168.6 secs Computing kpt #: 207 total cpu time spent up to now is 1172.8 secs Computing kpt #: 208 total cpu time spent up to now is 1177.1 secs Computing kpt #: 209 total cpu time spent up to now is 1181.9 secs Computing kpt #: 210 total cpu time spent up to now is 1186.4 secs Computing kpt #: 211 total cpu time spent up to now is 1190.8 secs Computing kpt #: 212 total cpu time spent up to now is 1195.2 secs Computing kpt #: 213 total cpu time spent up to now is 1199.7 secs Computing kpt #: 214 total cpu time spent up to now is 1204.1 secs Computing kpt #: 215 total cpu time spent up to now is 1208.4 secs Computing kpt #: 216 total cpu time spent up to now is 1212.8 secs Computing kpt #: 217 total cpu time spent up to now is 1217.0 secs Computing kpt #: 218 total cpu time spent up to now is 1221.4 secs Computing kpt #: 219 total cpu time spent up to now is 1225.7 secs ethr = 1.43E-11, avg # of iterations = 43.3 total cpu time spent up to now is 1225.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0229 -7.0229 -6.0429 -6.0429 -6.0151 -6.0151 -6.0151 -6.0151 1.0004 1.0004 1.0004 1.0004 1.8511 1.8511 2.6748 2.6748 2.7448 2.7448 2.7448 2.7448 3.2664 3.2664 3.3749 3.3749 3.3749 3.3749 3.7720 3.7720 3.7720 3.7720 3.8146 3.8146 3.8146 3.8146 3.8459 3.8459 4.4586 4.4586 4.4859 4.4859 4.4859 4.4859 4.6700 4.6700 4.6700 4.6700 4.6810 4.6810 4.9760 4.9760 5.0810 5.0810 5.1634 5.1634 5.1634 5.1634 6.2065 6.2065 6.2065 6.2065 6.2284 6.2284 8.3205 8.3205 8.3205 8.3205 8.3557 8.3557 8.5356 8.5356 8.5356 8.5356 8.6189 8.6189 11.8103 11.8103 k = 0.0000 0.0179-0.0000 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0222 -7.0222 -6.0432 -6.0432 -6.0156 -6.0156 -6.0151 -6.0151 1.0010 1.0010 1.0021 1.0021 1.8520 1.8520 2.6745 2.6745 2.7436 2.7436 2.7456 2.7456 3.2656 3.2656 3.3726 3.3726 3.3755 3.3755 3.7633 3.7633 3.7748 3.7748 3.8145 3.8145 3.8200 3.8200 3.8472 3.8472 4.4572 4.4572 4.4813 4.4813 4.4901 4.4901 4.6684 4.6684 4.6711 4.6711 4.6815 4.6815 4.9762 4.9762 5.0808 5.0808 5.1599 5.1599 5.1661 5.1661 6.2035 6.2035 6.2065 6.2065 6.2270 6.2270 8.3180 8.3180 8.3221 8.3221 8.3559 8.3559 8.5197 8.5197 8.5370 8.5370 8.6442 8.6442 11.8096 11.8096 k = 0.0000 0.0357-0.0000 ( 6871 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0203 -7.0203 -6.0440 -6.0440 -6.0172 -6.0172 -6.0151 -6.0151 1.0032 1.0032 1.0063 1.0063 1.8547 1.8547 2.6733 2.6733 2.7411 2.7411 2.7465 2.7465 3.2635 3.2635 3.3682 3.3682 3.3750 3.3750 3.7486 3.7486 3.7764 3.7764 3.8154 3.8154 3.8286 3.8286 3.8524 3.8524 4.4528 4.4528 4.4773 4.4773 4.4932 4.4932 4.6666 4.6666 4.6715 4.6715 4.6828 4.6828 4.9769 4.9769 5.0804 5.0804 5.1554 5.1554 5.1679 5.1679 6.1951 6.1951 6.2053 6.2053 6.2236 6.2236 8.3096 8.3096 8.3265 8.3265 8.3571 8.3571 8.4964 8.4964 8.5411 8.5411 8.6961 8.6961 11.8077 11.8077 k = 0.0000 0.0536-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0170 -7.0170 -6.0457 -6.0457 -6.0195 -6.0195 -6.0151 -6.0151 1.0069 1.0069 1.0134 1.0134 1.8591 1.8591 2.6712 2.6712 2.7376 2.7376 2.7482 2.7482 3.2596 3.2596 3.3616 3.3616 3.3736 3.3736 3.7310 3.7310 3.7784 3.7784 3.8169 3.8169 3.8343 3.8343 3.8634 3.8634 4.4454 4.4454 4.4745 4.4745 4.4947 4.4947 4.6649 4.6649 4.6712 4.6712 4.6847 4.6847 4.9780 4.9780 5.0796 5.0796 5.1500 5.1500 5.1691 5.1691 6.1802 6.1802 6.2034 6.2034 6.2193 6.2193 8.2939 8.2939 8.3338 8.3338 8.3601 8.3601 8.4814 8.4814 8.5478 8.5478 8.7591 8.7591 11.8046 11.8046 k = 0.0000 0.0714-0.0000 ( 6871 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0124 -7.0124 -6.0487 -6.0487 -6.0222 -6.0222 -6.0151 -6.0151 1.0122 1.0122 1.0232 1.0232 1.8654 1.8654 2.6672 2.6672 2.7336 2.7336 2.7504 2.7504 3.2538 3.2538 3.3532 3.3532 3.3716 3.3716 3.7115 3.7115 3.7809 3.7809 3.8190 3.8190 3.8371 3.8371 3.8785 3.8785 4.4354 4.4354 4.4725 4.4725 4.4944 4.4944 4.6634 4.6634 4.6703 4.6703 4.6870 4.6870 4.9794 4.9794 5.0784 5.0784 5.1437 5.1437 5.1696 5.1696 6.1590 6.1590 6.2006 6.2006 6.2144 6.2144 8.2716 8.2716 8.3435 8.3435 8.3654 8.3654 8.4767 8.4767 8.5569 8.5569 8.8294 8.8294 11.8004 11.8004 k = 0.0000 0.0893-0.0000 ( 6851 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0065 -7.0065 -6.0532 -6.0532 -6.0248 -6.0248 -6.0151 -6.0151 1.0189 1.0189 1.0357 1.0357 1.8734 1.8734 2.6608 2.6608 2.7300 2.7300 2.7533 2.7533 3.2456 3.2456 3.3436 3.3436 3.3689 3.3689 3.6906 3.6906 3.7839 3.7839 3.8217 3.8217 3.8390 3.8390 3.8957 3.8957 4.4238 4.4238 4.4710 4.4710 4.4924 4.4924 4.6621 4.6621 4.6690 4.6690 4.6895 4.6895 4.9811 4.9811 5.0768 5.0768 5.1368 5.1368 5.1697 5.1697 6.1322 6.1322 6.1973 6.1973 6.2090 6.2090 8.2455 8.2455 8.3552 8.3552 8.3731 8.3731 8.4802 8.4802 8.5683 8.5683 8.9060 8.9060 11.7952 11.7952 k = 0.0000 0.1071-0.0000 ( 6843 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0132 -24.0132 -24.0130 -24.0130 -6.9994 -6.9994 -6.0598 -6.0598 -6.0269 -6.0269 -6.0151 -6.0151 1.0270 1.0270 1.0509 1.0509 1.8833 1.8833 2.6511 2.6511 2.7276 2.7276 2.7567 2.7567 3.2344 3.2344 3.3336 3.3336 3.3656 3.3656 3.6682 3.6682 3.7873 3.7873 3.8249 3.8249 3.8405 3.8405 3.9138 3.9138 4.4110 4.4110 4.4694 4.4694 4.4886 4.4886 4.6607 4.6607 4.6674 4.6674 4.6921 4.6921 4.9828 4.9828 5.0746 5.0746 5.1293 5.1293 5.1695 5.1695 6.1008 6.1008 6.1934 6.1934 6.2029 6.2029 8.2178 8.2178 8.3675 8.3675 8.3839 8.3839 8.4896 8.4896 8.5818 8.5818 8.9879 8.9879 11.7890 11.7890 k = 0.0000 0.1250-0.0000 ( 6867 PWs) bands (ev): -48.4662 -48.4662 -26.0946 -26.0946 -24.0133 -24.0133 -24.0130 -24.0130 -6.9910 -6.9910 -6.0685 -6.0685 -6.0284 -6.0284 -6.0150 -6.0150 1.0364 1.0364 1.0688 1.0688 1.8949 1.8949 2.6378 2.6378 2.7268 2.7268 2.7607 2.7607 3.2198 3.2198 3.3238 3.3238 3.3617 3.3617 3.6443 3.6443 3.7909 3.7909 3.8285 3.8285 3.8421 3.8421 3.9325 3.9325 4.3974 4.3974 4.4676 4.4676 4.4833 4.4833 4.6589 4.6589 4.6658 4.6658 4.6946 4.6946 4.9845 4.9845 5.0719 5.0719 5.1216 5.1216 5.1692 5.1692 6.0655 6.0655 6.1890 6.1890 6.1962 6.1962 8.1901 8.1901 8.3793 8.3793 8.3982 8.3982 8.5033 8.5033 8.5970 8.5970 9.0747 9.0747 11.7821 11.7821 k = 0.0000 0.1429-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0133 -24.0133 -24.0130 -24.0130 -6.9814 -6.9814 -6.0790 -6.0790 -6.0295 -6.0295 -6.0150 -6.0150 1.0472 1.0472 1.0892 1.0892 1.9084 1.9084 2.6209 2.6209 2.7275 2.7275 2.7652 2.7652 3.2016 3.2016 3.3150 3.3150 3.3573 3.3573 3.6187 3.6187 3.7948 3.7948 3.8325 3.8325 3.8437 3.8437 3.9518 3.9518 4.3833 4.3833 4.4654 4.4654 4.4771 4.4771 4.6565 4.6565 4.6642 4.6642 4.6970 4.6970 4.9862 4.9862 5.0688 5.0688 5.1138 5.1138 5.1690 5.1690 6.0273 6.0273 6.1842 6.1842 6.1890 6.1890 8.1632 8.1632 8.3904 8.3904 8.4159 8.4159 8.5201 8.5201 8.6136 8.6136 9.1657 9.1657 11.7747 11.7747 k = 0.0000 0.1607-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0134 -24.0134 -24.0130 -24.0130 -6.9707 -6.9707 -6.0913 -6.0913 -6.0301 -6.0301 -6.0150 -6.0150 1.0591 1.0591 1.1122 1.1122 1.9237 1.9237 2.6009 2.6009 2.7295 2.7295 2.7702 2.7702 3.1800 3.1800 3.3071 3.3071 3.3524 3.3524 3.5913 3.5913 3.7989 3.7989 3.8367 3.8367 3.8456 3.8456 3.9716 3.9716 4.3689 4.3689 4.4616 4.4616 4.4708 4.4708 4.6532 4.6532 4.6625 4.6625 4.6993 4.6993 4.9876 4.9876 5.0653 5.0653 5.1063 5.1063 5.1689 5.1689 5.9869 5.9869 6.1789 6.1789 6.1816 6.1816 8.1375 8.1375 8.4011 8.4011 8.4359 8.4359 8.5392 8.5392 8.6314 8.6314 9.2606 9.2606 11.7668 11.7668 k = 0.0000 0.1786-0.0000 ( 6851 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0135 -24.0135 -24.0130 -24.0130 -6.9588 -6.9588 -6.1051 -6.1051 -6.0306 -6.0306 -6.0150 -6.0150 1.0722 1.0722 1.1375 1.1375 1.9409 1.9409 2.5781 2.5781 2.7324 2.7324 2.7755 2.7755 3.1553 3.1553 3.3002 3.3002 3.3470 3.3470 3.5620 3.5620 3.8032 3.8032 3.8411 3.8411 3.8476 3.8476 3.9918 3.9918 4.3545 4.3545 4.4552 4.4552 4.4661 4.4661 4.6492 4.6492 4.6604 4.6604 4.7012 4.7012 4.9887 4.9887 5.0616 5.0616 5.0994 5.0994 5.1690 5.1690 5.9449 5.9449 6.1722 6.1722 6.1751 6.1751 8.1132 8.1132 8.4119 8.4119 8.4573 8.4573 8.5598 8.5598 8.6500 8.6500 9.3586 9.3586 11.7586 11.7586 k = 0.0000 0.1964-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0136 -24.0136 -24.0130 -24.0130 -6.9458 -6.9458 -6.1203 -6.1203 -6.0309 -6.0309 -6.0150 -6.0150 1.0864 1.0864 1.1651 1.1651 1.9599 1.9599 2.5527 2.5527 2.7361 2.7361 2.7813 2.7813 3.1281 3.1281 3.2941 3.2941 3.3411 3.3411 3.5308 3.5308 3.8077 3.8077 3.8455 3.8455 3.8498 3.8498 4.0124 4.0124 4.3403 4.3403 4.4465 4.4465 4.4628 4.4628 4.6445 4.6445 4.6574 4.6574 4.7028 4.7028 4.9895 4.9895 5.0578 5.0578 5.0934 5.0934 5.1693 5.1693 5.9022 5.9022 6.1642 6.1642 6.1695 6.1695 8.0905 8.0905 8.4226 8.4226 8.4796 8.4796 8.5816 8.5816 8.6690 8.6690 9.4593 9.4593 11.7503 11.7503 k = 0.0000 0.2143-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0947 -26.0947 -24.0137 -24.0137 -24.0130 -24.0130 -6.9317 -6.9317 -6.1368 -6.1368 -6.0310 -6.0310 -6.0150 -6.0150 1.1015 1.1015 1.1949 1.1949 1.9806 1.9806 2.5251 2.5251 2.7405 2.7405 2.7873 2.7873 3.0989 3.0989 3.2885 3.2885 3.3345 3.3345 3.4977 3.4977 3.8124 3.8124 3.8499 3.8499 3.8524 3.8524 4.0333 4.0333 4.3264 4.3264 4.4369 4.4369 4.4597 4.4597 4.6394 4.6394 4.6535 4.6535 4.7039 4.7039 4.9900 4.9900 5.0541 5.0541 5.0886 5.0886 5.1699 5.1699 5.8592 5.8592 6.1558 6.1558 6.1643 6.1643 8.0693 8.0693 8.4332 8.4332 8.5025 8.5025 8.6039 8.6039 8.6881 8.6881 9.5620 9.5620 11.7420 11.7420 k = 0.0000 0.2321-0.0000 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0947 -26.0947 -24.0137 -24.0137 -24.0130 -24.0130 -6.9166 -6.9166 -6.1544 -6.1544 -6.0311 -6.0311 -6.0150 -6.0150 1.1174 1.1174 1.2268 1.2268 2.0032 2.0032 2.4954 2.4954 2.7452 2.7452 2.7936 2.7936 3.0683 3.0683 3.2835 3.2835 3.3272 3.3272 3.4630 3.4630 3.8173 3.8173 3.8537 3.8537 3.8556 3.8556 4.0544 4.0544 4.3131 4.3131 4.4269 4.4269 4.4564 4.4564 4.6338 4.6338 4.6483 4.6483 4.7042 4.7042 4.9903 4.9903 5.0505 5.0505 5.0853 5.0853 5.1707 5.1707 5.8164 5.8164 6.1474 6.1474 6.1591 6.1591 8.0496 8.0496 8.4436 8.4436 8.5255 8.5255 8.6265 8.6265 8.7071 8.7071 9.6662 9.6662 11.7338 11.7338 k = 0.0000 0.2500-0.0000 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0947 -26.0947 -24.0138 -24.0138 -24.0130 -24.0130 -6.9007 -6.9007 -6.1730 -6.1730 -6.0312 -6.0312 -6.0150 -6.0150 1.1339 1.1339 1.2606 1.2606 2.0275 2.0275 2.4639 2.4639 2.7502 2.7502 2.7999 2.7999 3.0366 3.0366 3.2787 3.2787 3.3186 3.3186 3.4273 3.4273 3.8223 3.8223 3.8568 3.8568 3.8596 3.8596 4.0758 4.0758 4.3004 4.3004 4.4169 4.4169 4.4527 4.4527 4.6278 4.6278 4.6418 4.6418 4.7035 4.7035 4.9903 4.9903 5.0469 5.0469 5.0838 5.0838 5.1716 5.1716 5.7742 5.7742 6.1389 6.1389 6.1542 6.1542 8.0314 8.0314 8.4538 8.4538 8.5482 8.5482 8.6489 8.6489 8.7257 8.7257 9.7713 9.7713 11.7256 11.7256 k = 0.0000 0.2679-0.0000 ( 6816 PWs) bands (ev): -48.4659 -48.4659 -26.0948 -26.0948 -24.0139 -24.0139 -24.0130 -24.0130 -6.8838 -6.8838 -6.1925 -6.1925 -6.0312 -6.0312 -6.0150 -6.0150 1.1509 1.1509 1.2962 1.2962 2.0536 2.0536 2.4308 2.4308 2.7554 2.7554 2.8064 2.8064 3.0044 3.0044 3.2742 3.2742 3.3076 3.3076 3.3919 3.3919 3.8275 3.8275 3.8597 3.8597 3.8638 3.8638 4.0973 4.0973 4.2884 4.2884 4.4071 4.4071 4.4488 4.4488 4.6217 4.6217 4.6343 4.6343 4.7019 4.7019 4.9903 4.9903 5.0434 5.0434 5.0841 5.0841 5.1729 5.1729 5.7331 5.7331 6.1307 6.1307 6.1494 6.1494 8.0147 8.0147 8.4637 8.4637 8.5705 8.5705 8.6709 8.6709 8.7436 8.7436 9.8765 9.8765 11.7173 11.7173 k = 0.0000 0.2857-0.0000 ( 6820 PWs) bands (ev): -48.4659 -48.4659 -26.0948 -26.0948 -24.0140 -24.0140 -24.0130 -24.0130 -6.8662 -6.8662 -6.2127 -6.2127 -6.0311 -6.0311 -6.0150 -6.0150 1.1682 1.1682 1.3334 1.3334 2.0811 2.0811 2.3963 2.3963 2.7606 2.7606 2.8129 2.8129 2.9720 2.9720 3.2693 3.2693 3.2917 3.2917 3.3602 3.3602 3.8327 3.8327 3.8627 3.8627 3.8678 3.8678 4.1188 4.1188 4.2773 4.2773 4.3976 4.3976 4.4443 4.4443 4.6152 4.6152 4.6259 4.6259 4.6989 4.6989 4.9905 4.9905 5.0399 5.0399 5.0863 5.0863 5.1743 5.1743 5.6932 5.6932 6.1228 6.1228 6.1449 6.1449 7.9994 7.9994 8.4731 8.4731 8.5920 8.5920 8.6921 8.6921 8.7606 8.7606 9.9811 9.9811 11.7088 11.7088 k = 0.0000 0.3036-0.0000 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0948 -26.0948 -24.0141 -24.0141 -24.0130 -24.0130 -6.8480 -6.8480 -6.2336 -6.2336 -6.0311 -6.0311 -6.0150 -6.0150 1.1857 1.1857 1.3721 1.3721 2.1099 2.1099 2.3607 2.3607 2.7659 2.7659 2.8192 2.8192 2.9400 2.9400 3.2574 3.2574 3.2732 3.2732 3.3366 3.3366 3.8381 3.8381 3.8657 3.8657 3.8716 3.8716 4.1402 4.1402 4.2671 4.2671 4.3886 4.3886 4.4395 4.4395 4.6083 4.6083 4.6172 4.6172 4.6947 4.6947 4.9908 4.9908 5.0364 5.0364 5.0903 5.0903 5.1759 5.1759 5.6549 5.6549 6.1152 6.1152 6.1407 6.1407 7.9856 7.9856 8.4821 8.4821 8.6124 8.6124 8.7122 8.7122 8.7765 8.7765 10.0845 10.0845 11.6997 11.6997 k = 0.0000 0.3214-0.0000 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0142 -24.0142 -24.0130 -24.0130 -6.8292 -6.8292 -6.2548 -6.2548 -6.0310 -6.0310 -6.0150 -6.0150 1.2029 1.2029 1.4121 1.4121 2.1395 2.1395 2.3247 2.3247 2.7711 2.7711 2.8254 2.8254 2.9088 2.9088 3.2245 3.2245 3.2665 3.2665 3.3214 3.3214 3.8435 3.8435 3.8687 3.8687 3.8752 3.8752 4.1613 4.1613 4.2578 4.2578 4.3800 4.3800 4.4344 4.4344 4.6004 4.6004 4.6090 4.6090 4.6891 4.6891 4.9914 4.9914 5.0332 5.0332 5.0956 5.0956 5.1778 5.1778 5.6182 5.6182 6.1080 6.1080 6.1369 6.1369 7.9731 7.9731 8.4906 8.4906 8.6316 8.6316 8.7312 8.7312 8.7912 8.7912 10.1857 10.1857 11.6896 11.6896 k = 0.0000 0.3393-0.0000 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0143 -24.0143 -24.0130 -24.0130 -6.8101 -6.8101 -6.2764 -6.2764 -6.0310 -6.0310 -6.0150 -6.0150 1.2199 1.2199 1.4532 1.4532 2.1683 2.1683 2.2898 2.2898 2.7761 2.7761 2.8313 2.8313 2.8788 2.8788 3.1830 3.1830 3.2632 3.2632 3.3109 3.3109 3.8488 3.8488 3.8717 3.8717 3.8786 3.8786 4.1820 4.1820 4.2496 4.2496 4.3721 4.3721 4.4291 4.4291 4.5911 4.5911 4.6024 4.6024 4.6824 4.6824 4.9923 4.9923 5.0301 5.0301 5.1022 5.1022 5.1802 5.1802 5.5835 5.5835 6.1014 6.1014 6.1334 6.1334 7.9619 7.9619 8.4985 8.4985 8.6494 8.6494 8.7488 8.7488 8.8046 8.8046 10.2839 10.2839 11.6782 11.6782 k = 0.0000 0.3571-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0949 -26.0949 -24.0144 -24.0144 -24.0130 -24.0130 -6.7908 -6.7908 -6.2979 -6.2979 -6.0309 -6.0309 -6.0150 -6.0150 1.2361 1.2361 1.4951 1.4951 2.1894 2.1894 2.2626 2.2626 2.7808 2.7808 2.8365 2.8365 2.8507 2.8507 3.1386 3.1386 3.2607 3.2607 3.3025 3.3025 3.8540 3.8540 3.8745 3.8745 3.8816 3.8816 4.2016 4.2016 4.2429 4.2429 4.3648 4.3648 4.4236 4.4236 4.5810 4.5810 4.5968 4.5968 4.6747 4.6747 4.9935 4.9935 5.0272 5.0272 5.1095 5.1095 5.1830 5.1830 5.5507 5.5507 6.0953 6.0953 6.1302 6.1302 7.9521 7.9521 8.5057 8.5057 8.6656 8.6656 8.7648 8.7648 8.8166 8.8166 10.3781 10.3781 11.6649 11.6649 k = 0.0000 0.3750-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0144 -24.0144 -24.0130 -24.0130 -6.7715 -6.7715 -6.3192 -6.3192 -6.0308 -6.0308 -6.0150 -6.0150 1.2514 1.2514 1.5377 1.5377 2.1815 2.1815 2.2646 2.2646 2.7852 2.7852 2.8235 2.8235 2.8426 2.8426 3.0930 3.0930 3.2588 3.2588 3.2954 3.2954 3.8591 3.8591 3.8773 3.8773 3.8844 3.8844 4.2181 4.2181 4.2393 4.2393 4.3582 4.3582 4.4182 4.4182 4.5708 4.5708 4.5922 4.5922 4.6661 4.6661 4.9949 4.9949 5.0245 5.0245 5.1171 5.1171 5.1866 5.1866 5.5201 5.5201 6.0898 6.0898 6.1274 6.1274 7.9435 7.9435 8.5122 8.5122 8.6802 8.6802 8.7792 8.7792 8.8272 8.8272 10.4673 10.4673 11.6497 11.6497 k = 0.0000 0.3929-0.0000 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0145 -24.0145 -24.0130 -24.0130 -6.7526 -6.7526 -6.3399 -6.3399 -6.0308 -6.0308 -6.0150 -6.0150 1.2655 1.2655 1.5805 1.5805 2.1493 2.1493 2.2906 2.2906 2.7890 2.7890 2.8001 2.8001 2.8469 2.8469 3.0477 3.0477 3.2575 3.2575 3.2892 3.2892 3.8639 3.8639 3.8798 3.8798 3.8867 3.8867 4.2234 4.2234 4.2469 4.2469 4.3521 4.3521 4.4132 4.4132 4.5610 4.5610 4.5883 4.5883 4.6570 4.6570 4.9965 4.9965 5.0220 5.0220 5.1245 5.1245 5.1910 5.1910 5.4917 5.4917 6.0850 6.0850 6.1250 6.1250 7.9361 7.9361 8.5180 8.5180 8.6929 8.6929 8.7918 8.7918 8.8363 8.8363 10.5501 10.5501 11.6327 11.6327 k = 0.0000 0.4107-0.0000 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0146 -24.0146 -24.0130 -24.0130 -6.7345 -6.7345 -6.3596 -6.3596 -6.0307 -6.0307 -6.0150 -6.0150 1.2781 1.2781 1.6233 1.6233 2.1113 2.1113 2.3218 2.3218 2.7788 2.7788 2.7930 2.7930 2.8510 2.8510 3.0038 3.0038 3.2568 3.2568 3.2835 3.2835 3.8683 3.8683 3.8821 3.8821 3.8886 3.8886 4.2207 4.2207 4.2620 4.2620 4.3467 4.3467 4.4086 4.4086 4.5520 4.5520 4.5851 4.5851 4.6479 4.6479 4.9982 4.9982 5.0197 5.0197 5.1313 5.1313 5.1964 5.1964 5.4660 5.4660 6.0809 6.0809 6.1230 6.1230 7.9299 7.9299 8.5230 8.5230 8.7038 8.7038 8.8026 8.8026 8.8440 8.8440 10.6253 10.6253 11.6144 11.6144 k = 0.0000 0.4286-0.0000 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0146 -24.0146 -24.0130 -24.0130 -6.7178 -6.7178 -6.3776 -6.3776 -6.0307 -6.0307 -6.0150 -6.0150 1.2888 1.2888 1.6654 1.6654 2.0721 2.0721 2.3530 2.3530 2.7614 2.7614 2.7958 2.7958 2.8545 2.8545 2.9627 2.9627 3.2565 3.2565 3.2784 3.2784 3.8721 3.8721 3.8842 3.8842 3.8901 3.8901 4.2174 4.2174 4.2771 4.2771 4.3418 4.3418 4.4048 4.4048 4.5440 4.5440 4.5825 4.5825 4.6393 4.6393 5.0000 5.0000 5.0175 5.0175 5.1369 5.1369 5.2028 5.2028 5.4432 5.4432 6.0775 6.0775 6.1214 6.1214 7.9249 7.9249 8.5271 8.5271 8.7128 8.7128 8.8116 8.8116 8.8502 8.8502 10.6910 10.6910 11.5960 11.5960 k = 0.0000 0.4464-0.0000 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0146 -24.0146 -24.0130 -24.0130 -6.7033 -6.7033 -6.3932 -6.3932 -6.0306 -6.0306 -6.0150 -6.0150 1.2975 1.2975 1.7058 1.7058 2.0337 2.0337 2.3817 2.3817 2.7477 2.7477 2.7980 2.7980 2.8572 2.8572 2.9263 2.9263 3.2569 3.2569 3.2740 3.2740 3.8752 3.8752 3.8861 3.8861 3.8910 3.8910 4.2145 4.2145 4.2904 4.2904 4.3371 4.3371 4.4018 4.4018 4.5374 4.5374 4.5805 4.5805 4.6318 4.6318 5.0018 5.0018 5.0155 5.0155 5.1412 5.1412 5.2095 5.2095 5.4239 5.4239 6.0749 6.0749 6.1201 6.1201 7.9210 7.9210 8.5304 8.5304 8.7198 8.7198 8.8186 8.8186 8.8549 8.8549 10.7456 10.7456 11.5787 11.5787 k = 0.0000 0.4643-0.0000 ( 6852 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6918 -6.6918 -6.4055 -6.4055 -6.0306 -6.0306 -6.0150 -6.0150 1.3039 1.3039 1.7424 1.7424 1.9985 1.9985 2.4053 2.4053 2.7379 2.7379 2.7995 2.7995 2.8593 2.8593 2.8971 2.8971 3.2578 3.2578 3.2702 3.2702 3.8775 3.8775 3.8878 3.8878 3.8914 3.8914 4.2124 4.2124 4.3016 4.3016 4.3327 4.3327 4.3998 4.3998 4.5325 4.5325 4.5791 4.5791 4.6259 4.6259 5.0035 5.0035 5.0137 5.0137 5.1441 5.1441 5.2157 5.2157 5.4089 5.4089 6.0730 6.0730 6.1192 6.1192 7.9183 7.9183 8.5328 8.5328 8.7249 8.7249 8.8236 8.8236 8.8583 8.8583 10.7867 10.7867 11.5643 11.5643 k = 0.0000 0.4821-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6843 -6.6843 -6.4134 -6.4134 -6.0306 -6.0306 -6.0150 -6.0150 1.3078 1.3078 1.7706 1.7706 1.9711 1.9711 2.4211 2.4211 2.7322 2.7322 2.8002 2.8002 2.8606 2.8606 2.8776 2.8776 3.2588 3.2588 3.2673 3.2673 3.8789 3.8789 3.8893 3.8893 3.8912 3.8912 4.2111 4.2111 4.3102 4.3102 4.3284 4.3284 4.3987 4.3987 4.5294 4.5294 4.5784 4.5784 4.6221 4.6221 5.0049 5.0049 5.0123 5.0123 5.1458 5.1458 5.2202 5.2202 5.3993 5.3993 6.0718 6.0718 6.1186 6.1186 7.9166 7.9166 8.5342 8.5342 8.7279 8.7279 8.8266 8.8266 8.8604 8.8604 10.8125 10.8125 11.5548 11.5548 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6817 -6.6817 -6.4162 -6.4162 -6.0306 -6.0306 -6.0150 -6.0150 1.3091 1.3091 1.7819 1.7819 1.9600 1.9600 2.4267 2.4267 2.7303 2.7303 2.8004 2.8004 2.8612 2.8612 2.8706 2.8706 3.2595 3.2595 3.2661 3.2661 3.8793 3.8793 3.8902 3.8902 3.8907 3.8907 4.2107 4.2107 4.3141 4.3141 4.3260 4.3260 4.3984 4.3984 4.5283 4.5283 4.5781 4.5781 4.6208 4.6208 5.0055 5.0055 5.0117 5.0117 5.1464 5.1464 5.2218 5.2218 5.3959 5.3959 6.0714 6.0714 6.1185 6.1185 7.9161 7.9161 8.5347 8.5347 8.7289 8.7289 8.8276 8.8276 8.8610 8.8610 10.8213 10.8213 11.5514 11.5514 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6817 -6.6817 -6.4162 -6.4162 -6.0306 -6.0306 -6.0150 -6.0150 1.3091 1.3091 1.7819 1.7819 1.9600 1.9600 2.4267 2.4267 2.7303 2.7303 2.8004 2.8004 2.8612 2.8612 2.8706 2.8706 3.2595 3.2595 3.2661 3.2661 3.8793 3.8793 3.8902 3.8902 3.8907 3.8907 4.2107 4.2107 4.3141 4.3141 4.3260 4.3260 4.3984 4.3984 4.5283 4.5283 4.5781 4.5781 4.6208 4.6208 5.0055 5.0055 5.0117 5.0117 5.1464 5.1464 5.2218 5.2218 5.3959 5.3959 6.0714 6.0714 6.1185 6.1185 7.9161 7.9161 8.5347 8.5347 8.7289 8.7289 8.8276 8.8276 8.8610 8.8610 10.8213 10.8213 11.5514 11.5514 k = 0.0179 0.5000-0.0000 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6812 -6.6812 -6.4162 -6.4156 -6.0314 -6.0305 -6.0154 -6.0154 1.3087 1.3111 1.7817 1.7822 1.9594 1.9601 2.4248 2.4288 2.7278 2.7328 2.8002 2.8004 2.8602 2.8620 2.8690 2.8721 3.2583 3.2594 3.2659 3.2661 3.8724 3.8730 3.8873 3.8890 3.8962 3.8980 4.2092 4.2113 4.3105 4.3156 4.3196 4.3317 4.3905 4.4104 4.5234 4.5308 4.5701 4.5919 4.6177 4.6254 4.9934 5.0055 5.0078 5.0201 5.1454 5.1528 5.2190 5.2261 5.3934 5.4002 6.0693 6.0712 6.1159 6.1188 7.9167 7.9191 8.5359 8.5371 8.7134 8.7397 8.8163 8.8348 8.8620 8.8674 10.8200 10.8260 11.5533 11.5555 k = 0.0357 0.5000-0.0000 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6797 -6.6796 -6.4157 -6.4144 -6.0329 -6.0313 -6.0166 -6.0165 1.3099 1.3147 1.7816 1.7825 1.9583 1.9598 2.4231 2.4311 2.7254 2.7353 2.7998 2.8001 2.8590 2.8625 2.8673 2.8735 3.2556 3.2585 3.2651 3.2662 3.8619 3.8620 3.8805 3.8837 3.9056 3.9078 4.2069 4.2109 4.3056 4.3094 4.3200 4.3348 4.3873 4.4250 4.5143 4.5340 4.5688 4.6054 4.6194 4.6320 4.9736 5.0028 5.0070 5.0214 5.1511 5.1610 5.2184 5.2323 5.3926 5.4062 6.0649 6.0687 6.1112 6.1170 7.9210 7.9257 8.5409 8.5429 8.6963 8.7415 8.8094 8.8314 8.8657 8.8843 10.8220 10.8340 11.5612 11.5655 k = 0.0536 0.5000-0.0000 ( 6850 PWs) bands (ev): -48.4661 -48.4661 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6772 -6.6771 -6.4146 -6.4127 -6.0352 -6.0328 -6.0185 -6.0184 1.3127 1.3199 1.7815 1.7829 1.9568 1.9591 2.4216 2.4337 2.7231 2.7378 2.7990 2.7995 2.8575 2.8627 2.8655 2.8748 3.2516 3.2571 3.2635 3.2663 3.8496 3.8507 3.8705 3.8743 3.9152 3.9176 4.2041 4.2096 4.2994 4.3021 4.3222 4.3360 4.3874 4.4407 4.5030 4.5401 4.5713 4.6071 4.6355 4.6411 4.9519 4.9968 5.0060 5.0175 5.1599 5.1675 5.2222 5.2414 5.3935 5.4141 6.0583 6.0640 6.1044 6.1130 7.9288 7.9359 8.5493 8.5519 8.6791 8.7339 8.8069 8.8217 8.8733 8.9060 10.8274 10.8453 11.5750 11.5813 k = 0.0714 0.5000-0.0000 ( 6842 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6737 -6.6736 -6.4130 -6.4105 -6.0383 -6.0352 -6.0210 -6.0210 1.3171 1.3266 1.7815 1.7833 1.9547 1.9578 2.4205 2.4366 2.7208 2.7403 2.7979 2.7987 2.8560 2.8627 2.8638 2.8760 3.2462 3.2551 3.2610 3.2663 3.8360 3.8388 3.8579 3.8611 3.9247 3.9273 4.2011 4.2074 4.2930 4.2959 4.3248 4.3364 4.3884 4.4558 4.4918 4.5495 4.5752 4.6047 4.6532 4.6574 4.9294 4.9859 5.0047 5.0128 5.1652 5.1707 5.2339 5.2537 5.3964 5.4240 6.0497 6.0573 6.0960 6.1071 7.9401 7.9496 8.5610 8.5635 8.6631 8.7215 8.8034 8.8084 8.8860 8.9295 10.8360 10.8598 11.5946 11.6029 k = 0.0893 0.5000-0.0000 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6693 -6.6691 -6.4108 -6.4077 -6.0422 -6.0386 -6.0244 -6.0241 1.3230 1.3348 1.7815 1.7838 1.9522 1.9561 2.4198 2.4398 2.7185 2.7428 2.7964 2.7977 2.8544 2.8622 2.8627 2.8773 3.2397 3.2525 3.2579 3.2661 3.8210 3.8263 3.8434 3.8445 3.9339 3.9367 4.1984 4.2045 4.2871 4.2908 4.3276 4.3368 4.3892 4.4672 4.4837 4.5614 4.5799 4.6020 4.6679 4.6810 4.9071 4.9709 5.0031 5.0089 5.1644 5.1701 5.2525 5.2683 5.4022 5.4361 6.0393 6.0487 6.0861 6.0995 7.9548 7.9667 8.5747 8.5768 8.6495 8.7080 8.7922 8.7969 8.9029 8.9536 10.8478 10.8772 11.6200 11.6301 k = 0.1071 0.5000-0.0000 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0132 -24.0132 -6.6638 -6.6636 -6.4081 -6.4044 -6.0469 -6.0429 -6.0284 -6.0277 1.3303 1.3444 1.7815 1.7842 1.9490 1.9539 2.4196 2.4436 2.7163 2.7452 2.7947 2.7965 2.8528 2.8609 2.8626 2.8786 3.2321 3.2487 3.2547 3.2658 3.8041 3.8128 3.8254 3.8279 3.9430 3.9457 4.1962 4.2010 4.2825 4.2869 4.3307 4.3374 4.3893 4.4657 4.4869 4.5729 4.5859 4.6011 4.6848 4.7054 4.8852 4.9534 5.0013 5.0054 5.1596 5.1665 5.2731 5.2836 5.4119 5.4507 6.0272 6.0384 6.0753 6.0906 7.9727 7.9870 8.5878 8.5904 8.6411 8.6952 8.7739 8.7887 8.9224 8.9778 10.8627 10.8975 11.6510 11.6624 k = 0.1250 0.5000-0.0000 ( 6842 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0132 -24.0132 -6.6575 -6.6572 -6.4049 -6.4005 -6.0524 -6.0482 -6.0329 -6.0318 1.3389 1.3553 1.7815 1.7847 1.9453 1.9511 2.4201 2.4479 2.7141 2.7473 2.7926 2.7950 2.8513 2.8600 2.8626 2.8800 3.2233 3.2433 3.2519 3.2652 3.7851 3.7978 3.8048 3.8119 3.9517 3.9545 4.1948 4.1975 4.2793 4.2841 4.3340 4.3382 4.3892 4.4580 4.4938 4.5785 4.5939 4.6063 4.7033 4.7302 4.8643 4.9350 4.9995 5.0017 5.1526 5.1604 5.2913 5.2980 5.4274 5.4680 6.0137 6.0265 6.0644 6.0812 7.9936 8.0104 8.5933 8.6026 8.6444 8.6833 8.7540 8.7815 8.9430 9.0016 10.8804 10.9204 11.6873 11.6994 k = 0.1429 0.5000-0.0000 ( 6830 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0148 -24.0148 -24.0132 -24.0132 -6.6502 -6.6499 -6.4011 -6.3962 -6.0587 -6.0544 -6.0381 -6.0363 1.3488 1.3674 1.7815 1.7851 1.9409 1.9478 2.4215 2.4531 2.7120 2.7492 2.7905 2.7935 2.8499 2.8596 2.8627 2.8816 3.2135 3.2365 3.2495 3.2645 3.7643 3.7781 3.7864 3.7955 3.9599 3.9628 4.1941 4.1941 4.2775 4.2824 4.3374 4.3391 4.3891 4.4504 4.4976 4.5766 4.6044 4.6184 4.7226 4.7547 4.8451 4.9163 4.9976 4.9979 5.1442 5.1525 5.3040 5.3103 5.4493 5.4880 5.9989 6.0127 6.0543 6.0720 8.0173 8.0367 8.5893 8.6112 8.6609 8.6718 8.7337 8.7791 8.9639 9.0250 10.9008 10.9456 11.7286 11.7402 k = 0.1607 0.5000-0.0000 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0148 -24.0148 -24.0133 -24.0133 -6.6420 -6.6417 -6.3969 -6.3914 -6.0660 -6.0617 -6.0437 -6.0412 1.3598 1.3806 1.7813 1.7854 1.9358 1.9439 2.4239 2.4592 2.7099 2.7506 2.7884 2.7919 2.8488 2.8599 2.8630 2.8835 3.2027 3.2283 3.2472 3.2636 3.7420 3.7544 3.7698 3.7787 3.9677 3.9707 4.1913 4.1942 4.2770 4.2817 4.3401 4.3409 4.3891 4.4437 4.4982 4.5715 4.6170 4.6320 4.7418 4.7775 4.8291 4.8983 4.9937 4.9959 5.1350 5.1430 5.3106 5.3194 5.4770 5.5104 5.9828 5.9972 6.0461 6.0641 8.0437 8.0656 8.5815 8.6153 8.6588 8.6814 8.7163 8.7847 8.9846 9.0475 10.9235 10.9729 11.7744 11.7830 k = 0.1786 0.5000-0.0000 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0148 -24.0148 -24.0133 -24.0133 -6.6330 -6.6326 -6.3921 -6.3861 -6.0740 -6.0699 -6.0498 -6.0465 1.3719 1.3947 1.7810 1.7856 1.9301 1.9393 2.4275 2.4664 2.7080 2.7514 2.7867 2.7905 2.8478 2.8609 2.8634 2.8855 3.1909 3.2191 3.2450 3.2625 3.7187 3.7295 3.7528 3.7613 3.9748 3.9781 4.1895 4.1951 4.2774 4.2820 4.3413 4.3442 4.3896 4.4378 4.4961 4.5651 4.6309 4.6442 4.7599 4.7919 4.8236 4.8819 4.9894 4.9944 5.1253 5.1323 5.3119 5.3250 5.5082 5.5344 5.9654 5.9798 6.0408 6.0584 8.0724 8.0969 8.5727 8.6155 8.6431 8.6822 8.7229 8.7991 9.0049 9.0691 10.9484 11.0020 11.8233 11.8235 k = 0.1964 0.5000-0.0000 ( 6830 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0149 -24.0149 -24.0134 -24.0134 -6.6232 -6.6227 -6.3869 -6.3804 -6.0829 -6.0789 -6.0562 -6.0523 1.3849 1.4096 1.7806 1.7856 1.9236 1.9341 2.4325 2.4747 2.7063 2.7515 2.7857 2.7892 2.8470 2.8625 2.8639 2.8879 3.1782 3.2087 3.2429 3.2613 3.6948 3.7042 3.7349 3.7432 3.9813 3.9849 4.1887 4.1966 4.2786 4.2831 4.3428 4.3474 4.3904 4.4328 4.4922 4.5578 4.6455 4.6534 4.7748 4.7894 4.8378 4.8689 4.9848 4.9932 5.1154 5.1206 5.3090 5.3268 5.5406 5.5590 5.9468 5.9610 6.0391 6.0561 8.1032 8.1302 8.5635 8.6127 8.6259 8.6658 8.7507 8.8206 9.0243 9.0895 10.9750 11.0324 11.8523 11.8717 k = 0.2143 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0149 -24.0149 -24.0135 -24.0135 -6.6125 -6.6121 -6.3813 -6.3743 -6.0926 -6.0888 -6.0631 -6.0584 1.3986 1.4252 1.7800 1.7855 1.9164 1.9282 2.4390 2.4845 2.7049 2.7508 2.7855 2.7882 2.8464 2.8645 2.8647 2.8905 3.1645 3.1973 3.2409 3.2600 3.6706 3.6788 3.7160 3.7242 3.9872 3.9912 4.1891 4.1987 4.2802 4.2852 4.3445 4.3503 4.3917 4.4286 4.4873 4.5499 4.6579 4.6600 4.7831 4.7842 4.8584 4.8629 4.9801 4.9924 5.1055 5.1081 5.3027 5.3250 5.5722 5.5831 5.9272 5.9412 6.0418 6.0582 8.1358 8.1653 8.5535 8.6002 8.6161 8.6497 8.7823 8.8468 9.0428 9.1087 11.0029 11.0638 11.8599 11.9055 k = 0.2321 0.5000-0.0000 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0149 -24.0149 -24.0135 -24.0135 -6.6012 -6.6007 -6.3753 -6.3678 -6.1031 -6.0994 -6.0703 -6.0648 1.4131 1.4413 1.7792 1.7851 1.9085 1.9217 2.4472 2.4957 2.7038 2.7494 2.7863 2.7877 2.8462 2.8653 2.8675 2.8934 3.1500 3.1850 3.2390 3.2587 3.6464 3.6536 3.6960 3.7044 3.9924 3.9970 4.1909 4.2015 4.2822 4.2879 4.3466 4.3528 4.3935 4.4252 4.4818 4.5417 4.6567 4.6738 4.7822 4.7834 4.8664 4.8789 4.9757 4.9923 5.0951 5.0957 5.2936 5.3196 5.6015 5.6057 5.9069 5.9207 6.0495 6.0651 8.1698 8.2017 8.5420 8.5800 8.6138 8.6370 8.8155 8.8758 9.0603 9.1266 11.0319 11.0957 11.8477 11.9038 k = 0.2500 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0150 -24.0150 -24.0136 -24.0136 -6.5892 -6.5886 -6.3688 -6.3609 -6.1142 -6.1108 -6.0777 -6.0717 1.4280 1.4577 1.7782 1.7846 1.8999 1.9145 2.4573 2.5085 2.7031 2.7477 2.7878 2.7879 2.8461 2.8660 2.8709 2.8966 3.1345 3.1717 3.2373 3.2573 3.6224 3.6289 3.6750 3.6837 3.9969 4.0021 4.1938 4.2048 4.2843 4.2911 4.3491 4.3548 4.3958 4.4225 4.4764 4.5332 4.6504 4.6859 4.7754 4.7875 4.8768 4.8981 4.9716 4.9928 5.0818 5.0862 5.2820 5.3109 5.6259 5.6273 5.8861 5.9000 6.0623 6.0771 8.2047 8.2391 8.5287 8.5588 8.6133 8.6286 8.8494 8.9065 9.0765 9.1429 11.0613 11.1275 11.8217 11.8773 k = 0.2679 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0150 -24.0150 -24.0136 -24.0136 -6.5765 -6.5760 -6.3621 -6.3538 -6.1261 -6.1228 -6.0855 -6.0789 1.4434 1.4742 1.7769 1.7837 1.8907 1.9068 2.4693 2.5229 2.7031 2.7457 2.7884 2.7903 2.8462 2.8666 2.8747 2.9000 3.1181 3.1574 3.2358 3.2558 3.5987 3.6048 3.6531 3.6623 4.0008 4.0067 4.1979 4.2086 4.2863 4.2947 4.3521 4.3562 4.3985 4.4207 4.4713 4.5246 4.6405 4.6943 4.7684 4.7954 4.8896 4.9152 4.9686 4.9942 5.0686 5.0771 5.2684 5.2991 5.6434 5.6490 5.8653 5.8793 6.0801 6.0939 8.2403 8.2767 8.5141 8.5383 8.6141 8.6244 8.8834 8.9379 9.0915 9.1576 11.0908 11.1587 11.7857 11.8380 k = 0.2857 0.5000-0.0000 ( 6826 PWs) bands (ev): -48.4659 -48.4659 -26.0954 -26.0954 -24.0151 -24.0151 -24.0136 -24.0136 -6.5633 -6.5627 -6.3550 -6.3463 -6.1385 -6.1354 -6.0934 -6.0863 1.4591 1.4908 1.7754 1.7826 1.8810 1.8985 2.4833 2.5390 2.7036 2.7437 2.7896 2.7933 2.8465 2.8672 2.8789 2.9035 3.1008 3.1422 3.2346 3.2544 3.5757 3.5816 3.6305 3.6403 4.0043 4.0108 4.2029 4.2128 4.2881 4.2983 4.3553 4.3568 4.4016 4.4198 4.4668 4.5161 4.6286 4.6959 4.7668 4.8058 4.9015 4.9298 4.9673 4.9965 5.0556 5.0684 5.2529 5.2846 5.6582 5.6666 5.8448 5.8591 6.1024 6.1150 8.2758 8.3141 8.4990 8.5189 8.6163 8.6241 8.9171 8.9691 9.1053 9.1708 11.1198 11.1887 11.7425 11.7906 k = 0.3036 0.5000-0.0000 ( 6830 PWs) bands (ev): -48.4659 -48.4659 -26.0954 -26.0954 -24.0151 -24.0151 -24.0137 -24.0137 -6.5496 -6.5490 -6.3476 -6.3386 -6.1515 -6.1484 -6.1016 -6.0941 1.4750 1.5073 1.7736 1.7812 1.8709 1.8898 2.4994 2.5566 2.7049 2.7419 2.7915 2.7968 2.8469 2.8675 2.8834 2.9071 3.0826 3.1260 3.2335 3.2530 3.5533 3.5594 3.6072 3.6178 4.0072 4.0144 4.2087 4.2174 4.2897 4.3015 4.3566 4.3588 4.4052 4.4200 4.4632 4.5079 4.6156 4.6896 4.7724 4.8175 4.9104 4.9416 4.9690 4.9993 5.0436 5.0602 5.2360 5.2678 5.6703 5.6802 5.8250 5.8396 6.1281 6.1392 8.3108 8.3503 8.4843 8.5012 8.6199 8.6269 8.9501 8.9997 9.1177 9.1822 11.1477 11.2168 11.6943 11.7379 k = 0.3214 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0152 -24.0152 -24.0137 -24.0137 -6.5355 -6.5349 -6.3401 -6.3308 -6.1649 -6.1619 -6.1099 -6.1020 1.4909 1.5235 1.7714 1.7793 1.8606 1.8807 2.5176 2.5757 2.7072 2.7402 2.7939 2.8007 2.8474 2.8676 2.8880 2.9107 3.0635 3.1088 3.2326 3.2515 3.5318 3.5384 3.5836 3.5952 4.0099 4.0175 4.2150 4.2224 4.2909 4.3041 4.3558 4.3622 4.4093 4.4215 4.4605 4.5001 4.6025 4.6780 4.7834 4.8301 4.9153 4.9509 4.9744 5.0011 5.0339 5.0525 5.2179 5.2490 5.6803 5.6904 5.8061 5.8212 6.1559 6.1654 8.3446 8.3843 8.4706 8.4859 8.6253 8.6323 8.9818 9.0290 9.1288 9.1918 11.1740 11.2424 11.6431 11.6821 k = 0.3393 0.5000-0.0000 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0152 -24.0152 -24.0137 -24.0137 -6.5211 -6.5205 -6.3324 -6.3229 -6.1786 -6.1757 -6.1182 -6.1101 1.5068 1.5392 1.7690 1.7770 1.8503 1.8713 2.5378 2.5958 2.7106 2.7389 2.7969 2.8049 2.8482 2.8674 2.8929 2.9142 3.0434 3.0907 3.2321 3.2502 3.5115 3.5187 3.5601 3.5727 4.0122 4.0201 4.2218 4.2278 4.2917 4.3058 4.3544 4.3655 4.4139 4.4242 4.4585 4.4930 4.5897 4.6639 4.7973 4.8431 4.9168 4.9582 4.9825 4.9991 5.0289 5.0453 5.1991 5.2288 5.6884 5.6979 5.7887 5.8041 6.1847 6.1926 8.3763 8.4138 8.4585 8.4743 8.6326 8.6400 9.0119 9.0564 9.1388 9.1998 11.1984 11.2648 11.5910 11.6255 k = 0.3571 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0153 -24.0153 -24.0138 -24.0138 -6.5066 -6.5059 -6.3246 -6.3151 -6.1925 -6.1897 -6.1264 -6.1183 1.5225 1.5544 1.7662 1.7740 1.8404 1.8620 2.5598 2.6165 2.7155 2.7377 2.8003 2.8092 2.8491 2.8668 2.8978 2.9176 3.0225 3.0715 3.2317 3.2488 3.4923 3.5005 3.5369 3.5506 4.0144 4.0223 4.2287 4.2334 4.2921 4.3064 4.3530 4.3681 4.4189 4.4279 4.4573 4.4868 4.5775 4.6488 4.8124 4.8561 4.9166 4.9640 4.9920 4.9925 5.0288 5.0384 5.1798 5.2076 5.6950 5.7031 5.7728 5.7885 6.2133 6.2196 8.4050 8.4332 8.4488 8.4712 8.6422 8.6497 9.0399 9.0814 9.1480 9.2061 11.2203 11.2836 11.5397 11.5697 k = 0.3750 0.5000-0.0000 ( 6822 PWs) bands (ev): -48.4659 -48.4659 -26.0955 -26.0955 -24.0153 -24.0153 -24.0138 -24.0138 -6.4920 -6.4914 -6.3169 -6.3074 -6.2065 -6.2037 -6.1345 -6.1264 1.5380 1.5688 1.7631 1.7702 1.8313 1.8527 2.5835 2.6370 2.7227 2.7368 2.8040 2.8135 2.8502 2.8657 2.9026 2.9206 3.0008 3.0513 3.2317 3.2476 3.4747 3.4840 3.5147 3.5295 4.0164 4.0240 4.2357 4.2394 4.2922 4.3057 4.3519 4.3700 4.4243 4.4324 4.4568 4.4820 4.5661 4.6333 4.8283 4.8690 4.9160 4.9689 4.9843 5.0016 5.0305 5.0318 5.1603 5.1861 5.7003 5.7065 5.7588 5.7747 6.2406 6.2454 8.4257 8.4353 8.4456 8.4829 8.6540 8.6612 9.0655 9.1032 9.1568 9.2108 11.2396 11.2984 11.4908 11.5165 k = 0.3929 0.5000-0.0000 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0154 -24.0154 -24.0138 -24.0138 -6.4776 -6.4770 -6.3095 -6.3000 -6.2202 -6.2174 -6.1423 -6.1344 1.5531 1.5823 1.7595 1.7654 1.8234 1.8438 2.6084 2.6559 2.7329 2.7361 2.8079 2.8175 2.8517 2.8640 2.9073 2.9232 2.9785 3.0299 3.2320 3.2463 3.4587 3.4693 3.4939 3.5097 4.0182 4.0254 4.2425 4.2454 4.2918 4.3038 4.3512 4.3708 4.4296 4.4373 4.4569 4.4787 4.5558 4.6178 4.8442 4.8811 4.9161 4.9722 4.9777 5.0107 5.0255 5.0316 5.1411 5.1646 5.7045 5.7083 5.7468 5.7629 6.2657 6.2693 8.4268 8.4303 8.4604 8.4988 8.6678 8.6738 9.0882 9.1209 9.1658 9.2142 11.2562 11.3092 11.4458 11.4673 k = 0.4107 0.5000-0.0000 ( 6832 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0154 -24.0154 -24.0138 -24.0138 -6.4637 -6.4631 -6.3024 -6.2933 -6.2333 -6.2305 -6.1496 -6.1422 1.5676 1.5945 1.7556 1.7596 1.8172 1.8356 2.6342 2.6718 2.7357 2.7474 2.8118 2.8209 2.8536 2.8614 2.9118 2.9251 2.9561 3.0074 3.2325 3.2450 3.4447 3.4564 3.4751 3.4917 4.0200 4.0264 4.2492 4.2514 4.2909 4.3009 4.3512 4.3706 4.4347 4.4419 4.4580 4.4773 4.5467 4.6027 4.8594 4.8919 4.9179 4.9685 4.9799 5.0183 5.0199 5.0308 5.1226 5.1440 5.7074 5.7087 5.7374 5.7532 6.2880 6.2906 8.4223 8.4249 8.4787 8.5119 8.6828 8.6872 9.1076 9.1338 9.1757 9.2163 11.2701 11.3161 11.4057 11.4233 k = 0.4286 0.5000-0.0000 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0138 -24.0138 -6.4506 -6.4500 -6.2961 -6.2877 -6.2453 -6.2426 -6.1561 -6.1494 1.5813 1.6051 1.7513 1.7533 1.8127 1.8281 2.6597 2.6839 2.7362 2.7659 2.8155 2.8237 2.8559 2.8577 2.9159 2.9240 2.9363 2.9838 3.2332 3.2437 3.4329 3.4451 3.4595 3.4758 4.0215 4.0270 4.2556 4.2574 4.2895 4.2972 4.3517 4.3693 4.4388 4.4454 4.4604 4.4777 4.5393 4.5881 4.8727 4.9000 4.9228 4.9653 4.9849 5.0133 5.0254 5.0274 5.1055 5.1252 5.7080 5.7086 5.7309 5.7457 6.3068 6.3086 8.4184 8.4203 8.4944 8.5212 8.6975 8.7002 9.1235 9.1423 9.1861 9.2175 11.2816 11.3196 11.3718 11.3856 k = 0.4464 0.5000-0.0000 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0138 -24.0138 -6.4389 -6.4384 -6.2912 -6.2839 -6.2551 -6.2527 -6.1615 -6.1559 1.5939 1.6136 1.7469 1.7471 1.8098 1.8218 2.6830 2.6928 2.7392 2.7868 2.8189 2.8257 2.8527 2.8589 2.9097 2.9194 2.9308 2.9594 3.2342 3.2424 3.4238 3.4349 3.4481 3.4625 4.0230 4.0273 4.2618 4.2632 4.2876 4.2930 4.3529 4.3673 4.4420 4.4472 4.4645 4.4795 4.5341 4.5742 4.8829 4.9044 4.9318 4.9660 4.9907 5.0073 5.0207 5.0296 5.0910 5.1089 5.7066 5.7080 5.7280 5.7402 6.3219 6.3231 8.4155 8.4168 8.5070 8.5272 8.7106 8.7119 9.1356 9.1476 9.1959 9.2180 11.2912 11.3201 11.3449 11.3550 k = 0.4643 0.5000-0.0000 ( 6828 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4294 -6.4290 -6.2882 -6.2831 -6.2613 -6.2598 -6.1654 -6.1614 1.6049 1.6191 1.7419 1.7427 1.8085 1.8166 2.6993 2.6995 2.7483 2.8040 2.8219 2.8267 2.8488 2.8624 2.8932 2.9209 2.9304 2.9356 3.2354 3.2410 3.4177 3.4259 3.4415 3.4520 4.0243 4.0272 4.2676 4.2688 4.2852 4.2884 4.3546 4.3647 4.4442 4.4478 4.4694 4.4810 4.5322 4.5614 4.8901 4.9050 4.9448 4.9703 4.9972 5.0013 5.0111 5.0298 5.0811 5.0959 5.7051 5.7061 5.7277 5.7361 6.3329 6.3336 8.4136 8.4145 8.5167 8.5301 8.7208 8.7213 9.1441 9.1507 9.2040 9.2178 11.2991 11.3180 11.3262 11.3321 k = 0.4821 0.5000-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4230 -6.4228 -6.2872 -6.2849 -6.2636 -6.2631 -6.1675 -6.1653 1.6135 1.6211 1.7387 1.7395 1.8086 1.8127 2.7040 2.7062 2.7658 2.8033 2.8244 2.8268 2.8579 2.8667 2.8814 2.9056 2.9277 2.9299 3.2367 3.2396 3.4147 3.4190 3.4390 3.4444 4.0254 4.0268 4.2732 4.2737 4.2820 4.2836 4.3567 4.3619 4.4458 4.4476 4.4742 4.4808 4.5343 4.5499 4.8953 4.9029 4.9598 4.9755 4.9955 4.9969 5.0078 5.0248 5.0777 5.0863 5.7039 5.7045 5.7289 5.7331 6.3397 6.3400 8.4126 8.4130 8.5237 8.5304 8.7273 8.7273 9.1493 9.1521 9.2102 9.2167 11.3056 11.3127 11.3172 11.3177 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -48.4661 -48.4661 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4207 -6.4207 -6.2866 -6.2866 -6.2640 -6.2640 -6.1675 -6.1675 1.6192 1.6192 1.7379 1.7379 1.8100 1.8100 2.7066 2.7066 2.7866 2.7866 2.8260 2.8260 2.8714 2.8714 2.8819 2.8819 2.9288 2.9288 3.2380 3.2380 3.4152 3.4152 3.4400 3.4400 4.0262 4.0262 4.2780 4.2780 4.2785 4.2785 4.3591 4.3591 4.4468 4.4468 4.4783 4.4783 4.5405 4.5405 4.8994 4.8994 4.9732 4.9732 4.9914 4.9914 5.0162 5.0162 5.0800 5.0800 5.7036 5.7036 5.7307 5.7307 6.3420 6.3420 8.4124 8.4124 8.5282 8.5282 8.7294 8.7294 9.1517 9.1517 9.2143 9.2143 11.3097 11.3097 11.3130 11.3130 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -48.4661 -48.4661 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4207 -6.4207 -6.2866 -6.2866 -6.2640 -6.2640 -6.1675 -6.1675 1.6192 1.6192 1.7379 1.7379 1.8100 1.8100 2.7066 2.7066 2.7866 2.7866 2.8260 2.8260 2.8714 2.8714 2.8819 2.8819 2.9288 2.9288 3.2380 3.2380 3.4152 3.4152 3.4400 3.4400 4.0262 4.0262 4.2780 4.2780 4.2785 4.2785 4.3591 4.3591 4.4468 4.4468 4.4783 4.4783 4.5405 4.5405 4.8994 4.8994 4.9732 4.9732 4.9914 4.9914 5.0162 5.0162 5.0800 5.0800 5.7036 5.7036 5.7307 5.7307 6.3420 6.3420 8.4124 8.4124 8.5282 8.5282 8.7294 8.7294 9.1517 9.1517 9.2143 9.2143 11.3097 11.3097 11.3130 11.3130 k = 0.4875 0.4875-0.0000 ( 6832 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4230 -6.4228 -6.2870 -6.2849 -6.2637 -6.2633 -6.1675 -6.1653 1.6136 1.6211 1.7384 1.7396 1.8086 1.8127 2.7035 2.7068 2.7659 2.8031 2.8245 2.8267 2.8565 2.8719 2.8780 2.9050 2.9272 2.9307 3.2367 3.2396 3.4147 3.4189 3.4390 3.4444 4.0254 4.0269 4.2716 4.2777 4.2787 4.2846 4.3567 4.3619 4.4458 4.4476 4.4742 4.4809 4.5342 4.5499 4.8953 4.9029 4.9598 4.9761 4.9938 4.9979 5.0079 5.0247 5.0777 5.0862 5.7040 5.7044 5.7289 5.7330 6.3397 6.3400 8.4126 8.4130 8.5238 8.5304 8.7273 8.7273 9.1493 9.1521 9.2104 9.2165 11.3046 11.3096 11.3173 11.3214 k = 0.4750 0.4750-0.0000 ( 6828 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4294 -6.4291 -6.2861 -6.2821 -6.2624 -6.2617 -6.1655 -6.1613 1.6053 1.6192 1.7396 1.7434 1.8088 1.8175 2.6954 2.7044 2.7471 2.8023 2.8223 2.8262 2.8485 2.8732 2.8863 2.9183 2.9251 2.9425 3.2353 3.2411 3.4173 3.4253 3.4414 3.4523 4.0243 4.0272 4.2645 4.2768 4.2788 4.2901 4.3545 4.3647 4.4444 4.4479 4.4688 4.4820 4.5309 4.5619 4.8902 4.9047 4.9452 4.9724 4.9973 4.9981 5.0123 5.0299 5.0810 5.0957 5.7053 5.7062 5.7275 5.7358 6.3332 6.3338 8.4135 8.4143 8.5171 8.5302 8.7211 8.7211 9.1443 9.1507 9.2054 9.2167 11.2916 11.3046 11.3336 11.3451 k = 0.4625 0.4625-0.0000 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0138 -24.0138 -6.4394 -6.4392 -6.2839 -6.2786 -6.2602 -6.2590 -6.1616 -6.1557 1.5949 1.6141 1.7394 1.7470 1.8122 1.8254 2.6795 2.6986 2.7344 2.7835 2.8194 2.8253 2.8539 2.8759 2.8991 2.9176 2.9248 2.9669 3.2340 3.2427 3.4217 3.4332 3.4480 3.4641 4.0230 4.0273 4.2570 4.2756 4.2785 4.2947 4.3526 4.3673 4.4427 4.4479 4.4626 4.4817 4.5306 4.5760 4.8837 4.9012 4.9358 4.9688 4.9902 5.0024 5.0221 5.0299 5.0908 5.1086 5.7076 5.7088 5.7267 5.7390 6.3227 6.3237 8.4152 8.4164 8.5082 8.5276 8.7109 8.7111 9.1361 9.1477 9.2000 9.2147 11.2726 11.2922 11.3636 11.3817 k = 0.4500 0.4500-0.0000 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0154 -24.0154 -24.0138 -24.0138 -6.4524 -6.4523 -6.2809 -6.2747 -6.2573 -6.2555 -6.1561 -6.1487 1.5833 1.6064 1.7363 1.7475 1.8207 1.8373 2.6565 2.6871 2.7274 2.7638 2.8161 2.8238 2.8603 2.8799 2.9057 2.9137 2.9358 2.9932 3.2328 3.2445 3.4271 3.4419 3.4594 3.4797 4.0215 4.0270 4.2496 4.2743 4.2780 4.2985 4.3508 4.3691 4.4410 4.4476 4.4562 4.4805 4.5330 4.5918 4.8756 4.8897 4.9352 4.9669 4.9838 5.0064 5.0261 5.0289 5.1054 5.1248 5.7108 5.7122 5.7263 5.7425 6.3085 6.3101 8.4176 8.4190 8.4975 8.5228 8.6974 8.6977 9.1243 9.1430 9.1948 9.2108 11.2477 11.2731 11.4057 11.4303 k = 0.4375 0.4375-0.0000 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0154 -24.0154 -24.0138 -24.0138 -6.4679 -6.4678 -6.2770 -6.2704 -6.2536 -6.2512 -6.1493 -6.1407 1.5708 1.5970 1.7297 1.7433 1.8352 1.8532 2.6296 2.6674 2.7236 2.7501 2.8123 2.8216 2.8659 2.8850 2.9037 2.9090 2.9584 3.0197 3.2316 3.2465 3.4330 3.4511 3.4749 3.4985 4.0199 4.0263 4.2422 4.2729 4.2773 4.3013 4.3492 4.3698 4.4396 4.4470 4.4499 4.4785 4.5381 4.6088 4.8660 4.8741 4.9398 4.9669 4.9786 5.0102 5.0202 5.0326 5.1227 5.1435 5.7148 5.7163 5.7263 5.7462 6.2913 6.2936 8.4205 8.4220 8.4853 8.5158 8.6810 8.6816 9.1091 9.1365 9.1897 9.2050 11.2170 11.2475 11.4583 11.4896 k = 0.4250 0.4250-0.0000 ( 6832 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0154 -24.0154 -24.0138 -24.0138 -6.4853 -6.4850 -6.2726 -6.2657 -6.2493 -6.2464 -6.1416 -6.1321 1.5576 1.5861 1.7199 1.7347 1.8546 1.8726 2.6006 2.6404 2.7215 2.7429 2.8082 2.8190 2.8709 2.8912 2.9006 2.9043 2.9848 3.0461 3.2307 3.2489 3.4396 3.4609 3.4937 3.5197 4.0181 4.0253 4.2348 4.2715 4.2765 4.3033 4.3476 4.3691 4.4381 4.4445 4.4463 4.4762 4.5459 4.6268 4.8552 4.8575 4.9466 4.9664 4.9766 5.0116 5.0155 5.0338 5.1413 5.1640 5.7196 5.7210 5.7265 5.7498 6.2718 6.2750 8.4239 8.4246 8.4724 8.5069 8.6623 8.6633 9.0911 9.1278 9.1844 9.1979 11.1808 11.2156 11.5196 11.5579 k = 0.4125 0.4125-0.0000 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0153 -24.0153 -24.0138 -24.0138 -6.5043 -6.5038 -6.2676 -6.2606 -6.2444 -6.2410 -6.1333 -6.1232 1.5438 1.5739 1.7072 1.7226 1.8778 1.8949 2.5702 2.6090 2.7208 2.7398 2.8039 2.8160 2.8744 2.8961 2.8992 2.9024 3.0126 3.0723 3.2300 3.2516 3.4468 3.4711 3.5147 3.5424 4.0161 4.0237 4.2276 4.2703 4.2755 4.3045 4.3457 4.3668 4.4349 4.4417 4.4454 4.4738 4.5560 4.6454 4.8410 4.8436 4.9540 4.9627 4.9800 5.0041 5.0193 5.0330 5.1607 5.1854 5.7250 5.7261 5.7267 5.7530 6.2507 6.2550 8.4248 8.4274 8.4610 8.4964 8.6420 8.6436 9.0706 9.1170 9.1786 9.1895 11.1392 11.1773 11.5874 11.6330 k = 0.4000 0.4000-0.0000 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0153 -24.0153 -24.0138 -24.0138 -6.5243 -6.5237 -6.2621 -6.2551 -6.2390 -6.2352 -6.1247 -6.1141 1.5293 1.5606 1.6919 1.7078 1.9037 1.9197 2.5390 2.5752 2.7216 2.7393 2.7994 2.8130 2.8750 2.8936 2.9018 2.9095 3.0411 3.0983 3.2296 3.2548 3.4548 3.4818 3.5373 3.5660 4.0140 4.0217 4.2204 4.2693 4.2747 4.3051 4.3435 4.3630 4.4299 4.4419 4.4442 4.4717 4.5685 4.6643 4.8251 4.8316 4.9578 4.9612 4.9864 4.9955 5.0244 5.0308 5.1805 5.2070 5.7259 5.7310 5.7316 5.7559 6.2290 6.2348 8.4186 8.4303 8.4554 8.4850 8.6207 8.6231 9.0484 9.1038 9.1719 9.1800 11.0925 11.1331 11.6592 11.7124 k = 0.3875 0.3875-0.0000 ( 6846 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0152 -24.0152 -24.0138 -24.0138 -6.5453 -6.5446 -6.2561 -6.2490 -6.2330 -6.2290 -6.1160 -6.1052 1.5140 1.5462 1.6744 1.6905 1.9318 1.9466 2.5071 2.5402 2.7241 2.7405 2.7949 2.8102 2.8731 2.8899 2.9084 2.9195 3.0699 3.1241 3.2297 3.2585 3.4634 3.4928 3.5608 3.5899 4.0117 4.0192 4.2133 4.2686 4.2740 4.3052 4.3406 4.3576 4.4248 4.4429 4.4434 4.4703 4.5828 4.6831 4.8100 4.8195 4.9527 4.9670 4.9871 4.9939 5.0278 5.0307 5.2003 5.2285 5.7237 5.7344 5.7393 5.7593 6.2079 6.2155 8.4050 8.4315 8.4566 8.4739 8.5990 8.6026 9.0248 9.0884 9.1638 9.1694 11.0408 11.0831 11.7320 11.7932 k = 0.3750 0.3750-0.0000 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0954 -24.0151 -24.0151 -24.0137 -24.0137 -6.5669 -6.5661 -6.2496 -6.2425 -6.2266 -6.2223 -6.1075 -6.0965 1.4980 1.5305 1.6548 1.6710 1.9618 1.9752 2.4749 2.5047 2.7287 2.7427 2.7905 2.8080 2.8702 2.8865 2.9175 2.9310 3.0988 3.1498 3.2303 3.2630 3.4725 3.5040 3.5847 3.6139 4.0093 4.0161 4.2065 4.2682 4.2734 4.3048 4.3368 4.3511 4.4202 4.4416 4.4458 4.4697 4.5986 4.7015 4.7964 4.8076 4.9477 4.9678 4.9822 5.0011 5.0253 5.0384 5.2201 5.2496 5.7191 5.7339 5.7485 5.7651 6.1884 6.1980 8.3877 8.4284 8.4609 8.4654 8.5774 8.5829 9.0002 9.0710 9.1543 9.1577 10.9844 11.0277 11.8022 11.8716 k = 0.3625 0.3625-0.0000 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0151 -24.0151 -24.0137 -24.0137 -6.5890 -6.5882 -6.2426 -6.2355 -6.2196 -6.2152 -6.0992 -6.0881 1.4810 1.5135 1.6334 1.6497 1.9931 2.0053 2.4424 2.4691 2.7356 2.7454 2.7860 2.8070 2.8673 2.8833 2.9284 2.9437 3.1274 3.1749 3.2318 3.2683 3.4820 3.5153 3.6087 3.6375 4.0067 4.0125 4.1998 4.2681 4.2731 4.3042 4.3319 4.3435 4.4164 4.4406 4.4491 4.4702 4.6154 4.7183 4.7849 4.7959 4.9426 4.9606 4.9837 5.0048 5.0264 5.0474 5.2400 5.2702 5.7114 5.7280 5.7596 5.7742 6.1714 6.1834 8.3689 8.4190 8.4610 8.4658 8.5570 8.5650 8.9749 9.0516 9.1430 9.1446 10.9237 10.9674 11.8650 11.9418 k = 0.3500 0.3500-0.0000 ( 6832 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0150 -24.0150 -24.0137 -24.0137 -6.6114 -6.6106 -6.2352 -6.2280 -6.2122 -6.2078 -6.0913 -6.0802 1.4632 1.4953 1.6103 1.6265 2.0257 2.0366 2.4100 2.4337 2.7446 2.7478 2.7818 2.8077 2.8649 2.8806 2.9406 2.9576 3.1554 3.1987 3.2353 3.2749 3.4917 3.5266 3.6323 3.6604 4.0039 4.0083 4.1935 4.2681 4.2729 4.3034 4.3258 4.3353 4.4134 4.4401 4.4531 4.4716 4.6330 4.7308 4.7782 4.7846 4.9374 4.9503 4.9868 5.0030 5.0329 5.0574 5.2600 5.2903 5.6999 5.7168 5.7727 5.7861 6.1578 6.1723 8.3496 8.4051 8.4581 8.4697 8.5389 8.5503 8.9489 9.0306 9.1298 9.1300 10.8591 10.9024 11.9114 11.9648 k = 0.3375 0.3375-0.0000 ( 6814 PWs) bands (ev): -48.4659 -48.4659 -26.0953 -26.0953 -24.0149 -24.0149 -24.0137 -24.0136 -6.6341 -6.6333 -6.2273 -6.2202 -6.2044 -6.1999 -6.0839 -6.0728 1.4444 1.4758 1.5857 1.6018 2.0593 2.0691 2.3778 2.3986 2.7494 2.7555 2.7781 2.8102 2.8637 2.8783 2.9540 2.9726 3.1820 3.2172 3.2445 3.2835 3.5016 3.5378 3.6554 3.6825 4.0008 4.0037 4.1878 4.2677 4.2727 4.3027 4.3187 4.3272 4.4115 4.4404 4.4580 4.4740 4.6508 4.7340 4.7739 4.7813 4.9319 4.9391 4.9896 4.9985 5.0420 5.0677 5.2804 5.3101 5.6843 5.7010 5.7879 5.8003 6.1481 6.1650 8.3302 8.3890 8.4533 8.4697 8.5260 8.5404 8.9225 9.0081 9.1137 9.1147 10.7908 10.8334 11.9291 11.9605 k = 0.3250 0.3250-0.0000 ( 6814 PWs) bands (ev): -48.4659 -48.4659 -26.0953 -26.0953 -24.0148 -24.0148 -24.0136 -24.0136 -6.6568 -6.6560 -6.2191 -6.2119 -6.1963 -6.1918 -6.0769 -6.0659 1.4246 1.4552 1.5598 1.5757 2.0935 2.1023 2.3461 2.3641 2.7497 2.7656 2.7772 2.8139 2.8648 2.8768 2.9685 2.9887 3.2063 3.2263 3.2637 3.2948 3.5115 3.5488 3.6776 3.7036 3.9975 3.9985 4.1827 4.2657 4.2719 4.3023 4.3110 4.3201 4.4103 4.4417 4.4637 4.4773 4.6685 4.7286 4.7638 4.7932 4.9258 4.9275 4.9920 4.9935 5.0515 5.0777 5.3017 5.3299 5.6649 5.6810 5.8053 5.8166 6.1423 6.1615 8.3112 8.3720 8.4447 8.4627 8.5211 8.5361 8.8957 8.9842 9.0956 9.0974 10.7193 10.7607 11.9312 11.9554 k = 0.3125 0.3125-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0147 -24.0147 -24.0136 -24.0136 -6.6796 -6.6788 -6.2106 -6.2033 -6.1877 -6.1833 -6.0705 -6.0596 1.4040 1.4334 1.5327 1.5483 2.1279 2.1360 2.3150 2.3304 2.7488 2.7664 2.7869 2.8172 2.8697 2.8765 2.9838 3.0056 3.2269 3.2310 3.2880 3.3102 3.5213 3.5596 3.6987 3.7234 3.9930 3.9938 4.1785 4.2610 4.2693 4.3025 4.3040 4.3153 4.4099 4.4440 4.4702 4.4814 4.6856 4.7200 4.7547 4.8082 4.9155 4.9191 4.9888 4.9940 5.0606 5.0867 5.3242 5.3501 5.6418 5.6574 5.8245 5.8345 6.1401 6.1614 8.2927 8.3549 8.4328 8.4499 8.5232 8.5365 8.8684 8.9591 9.0756 9.0781 10.6448 10.6848 11.9302 11.9506 k = 0.3000 0.3000-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0147 -24.0146 -24.0136 -24.0136 -6.7021 -6.7014 -6.2017 -6.1944 -6.1789 -6.1746 -6.0645 -6.0538 1.3826 1.4107 1.5047 1.5199 2.1619 2.1698 2.2853 2.2977 2.7471 2.7632 2.8004 2.8184 2.8789 2.8795 3.0001 3.0234 3.2347 3.2431 3.3138 3.3303 3.5311 3.5700 3.7185 3.7419 3.9871 3.9898 4.1754 4.2525 4.2634 4.2994 4.3041 4.3134 4.4103 4.4471 4.4775 4.4863 4.7009 4.7109 4.7474 4.8238 4.9037 4.9115 4.9850 4.9960 5.0686 5.0944 5.3486 5.3715 5.6160 5.6313 5.8455 5.8541 6.1411 6.1640 8.2752 8.3380 8.4190 8.4346 8.5288 8.5400 8.8408 8.9328 9.0539 9.0568 10.5677 10.6060 11.9289 11.9465 k = 0.2875 0.2875-0.0000 ( 6827 PWs) bands (ev): -48.4659 -48.4659 -26.0952 -26.0952 -24.0146 -24.0146 -24.0135 -24.0135 -6.7245 -6.7238 -6.1926 -6.1853 -6.1699 -6.1656 -6.0591 -6.0486 1.3605 1.3872 1.4758 1.4907 2.1927 2.2024 2.2596 2.2673 2.7448 2.7596 2.8118 2.8173 2.8858 2.8940 3.0171 3.0420 3.2385 3.2556 3.3401 3.3544 3.5407 3.5801 3.7369 3.7589 3.9810 3.9853 4.1736 4.2408 4.2537 4.2982 4.3072 4.3143 4.4114 4.4511 4.4856 4.4921 4.7020 4.7116 4.7448 4.8383 4.8926 4.9030 4.9824 4.9980 5.0752 5.1004 5.3750 5.3943 5.5881 5.6032 5.8680 5.8750 6.1445 6.1688 8.2587 8.3217 8.4047 8.4188 8.5356 8.5451 8.8128 8.9055 9.0304 9.0336 10.4882 10.5247 11.9283 11.9432 k = 0.2750 0.2750-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0145 -24.0145 -24.0135 -24.0135 -6.7465 -6.7459 -6.1833 -6.1759 -6.1606 -6.1565 -6.0541 -6.0440 1.3379 1.3631 1.4463 1.4608 2.2040 2.2198 2.2530 2.2541 2.7423 2.7561 2.8146 2.8188 2.8991 2.9120 3.0348 3.0611 3.2425 3.2654 3.3667 3.3812 3.5501 3.5897 3.7537 3.7743 3.9746 3.9803 4.1730 4.2266 4.2412 4.2995 4.3112 4.3177 4.4131 4.4557 4.4945 4.4987 4.6936 4.7134 4.7509 4.8494 4.8846 4.8939 4.9811 5.0000 5.0800 5.1046 5.4037 5.4192 5.5588 5.5741 5.8916 5.8969 6.1498 6.1750 8.2435 8.3062 8.3905 8.4036 8.5426 8.5509 8.7844 8.8772 9.0053 9.0086 10.4065 10.4412 11.9284 11.9407 k = 0.2625 0.2625-0.0000 ( 6837 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0144 -24.0144 -24.0135 -24.0135 -6.7682 -6.7676 -6.1738 -6.1665 -6.1512 -6.1472 -6.0497 -6.0398 1.3149 1.3385 1.4164 1.4305 2.1846 2.1975 2.2792 2.2797 2.7397 2.7525 2.8108 2.8211 2.9183 2.9326 3.0530 3.0807 3.2470 3.2737 3.3933 3.4095 3.5595 3.5990 3.7687 3.7880 3.9681 3.9747 4.1733 4.2107 4.2278 4.3024 4.3156 4.3234 4.4153 4.4607 4.5040 4.5062 4.6859 4.7092 4.7626 4.8508 4.8843 4.8857 4.9811 5.0020 5.0832 5.1071 5.4346 5.4462 5.5289 5.5447 5.9159 5.9195 6.1563 6.1821 8.2297 8.2918 8.3770 8.3892 8.5492 8.5566 8.7557 8.8482 8.9786 8.9820 10.3229 10.3556 11.9293 11.9392 k = 0.2500 0.2500-0.0000 ( 6823 PWs) bands (ev): -48.4659 -48.4659 -26.0950 -26.0950 -24.0143 -24.0143 -24.0134 -24.0134 -6.7894 -6.7888 -6.1643 -6.1570 -6.1417 -6.1379 -6.0457 -6.0362 1.2917 1.3137 1.3862 1.3998 2.1586 2.1691 2.3121 2.3124 2.7371 2.7492 2.8064 2.8202 2.9418 2.9550 3.0718 3.1006 3.2519 3.2811 3.4198 3.4385 3.5686 3.6078 3.7819 3.8000 3.9616 3.9686 4.1726 4.1936 4.2162 4.3063 4.3210 4.3309 4.4181 4.4659 4.5141 4.5146 4.6789 4.7034 4.7753 4.8429 4.8750 4.8958 4.9824 5.0041 5.0846 5.1083 5.4662 5.4741 5.5005 5.5169 5.9408 5.9427 6.1635 6.1897 8.2173 8.2786 8.3644 8.3759 8.5550 8.5619 8.7268 8.8185 8.9508 8.9541 10.2374 10.2683 11.9310 11.9385 k = 0.2375 0.2375-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0950 -26.0950 -24.0142 -24.0142 -24.0134 -24.0134 -6.8100 -6.8095 -6.1547 -6.1474 -6.1321 -6.1285 -6.0422 -6.0331 1.2684 1.2888 1.3560 1.3691 2.1321 2.1409 2.3453 2.3459 2.7346 2.7459 2.8016 2.8174 2.9677 2.9786 3.0908 3.1208 3.2572 3.2878 3.4460 3.4676 3.5777 3.6162 3.7932 3.8101 3.9549 3.9618 4.1667 4.1755 4.2110 4.3110 4.3274 4.3396 4.4214 4.4711 4.5238 4.5246 4.6727 4.6974 4.7866 4.8318 4.8668 4.9086 4.9848 5.0062 5.0845 5.1083 5.4657 5.4762 5.5112 5.5134 5.9657 5.9660 6.1710 6.1972 8.2066 8.2667 8.3529 8.3637 8.5594 8.5663 8.6976 8.7885 8.9218 8.9250 10.1502 10.1793 11.9331 11.9387 k = 0.2250 0.2250-0.0000 ( 6831 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0141 -24.0141 -24.0134 -24.0134 -6.8300 -6.8296 -6.1451 -6.1379 -6.1225 -6.1192 -6.0391 -6.0303 1.2452 1.2640 1.3260 1.3385 2.1061 2.1134 2.3781 2.3791 2.7322 2.7428 2.7964 2.8135 2.9950 3.0029 3.1102 3.1409 3.2630 3.2943 3.4716 3.4964 3.5868 3.6243 3.8028 3.8185 3.9482 3.9545 4.1536 4.1567 4.2145 4.3164 4.3348 4.3495 4.4252 4.4762 4.5338 4.5354 4.6674 4.6919 4.7947 4.8200 4.8617 4.9218 4.9882 5.0083 5.0831 5.1076 5.4368 5.4510 5.5457 5.5480 5.9893 5.9905 6.1785 6.2044 8.1975 8.2563 8.3425 8.3528 8.5620 8.5694 8.6683 8.7584 8.8922 8.8952 10.0616 10.0890 11.9341 11.9398 k = 0.2125 0.2125-0.0000 ( 6827 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0140 -24.0140 -24.0133 -24.0133 -6.8493 -6.8489 -6.1356 -6.1286 -6.1130 -6.1099 -6.0363 -6.0280 1.2223 1.2396 1.2962 1.3082 2.0809 2.0870 2.4102 2.4116 2.7299 2.7398 2.7912 2.8090 3.0228 3.0276 3.1298 3.1610 3.2694 3.3005 3.4966 3.5246 3.5960 3.6321 3.8105 3.8251 3.9414 3.9467 4.1363 4.1372 4.2239 4.3224 4.3431 4.3605 4.4295 4.4810 4.5444 4.5463 4.6630 4.6870 4.7974 4.8082 4.8619 4.9348 4.9927 5.0102 5.0807 5.1068 5.4080 5.4231 5.5833 5.5882 6.0123 6.0148 6.1856 6.2111 8.1902 8.2475 8.3334 8.3431 8.5625 8.5709 8.6391 8.7286 8.8621 8.8648 9.9716 9.9973 11.9302 11.9417 k = 0.2000 0.2000-0.0000 ( 6829 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0139 -24.0139 -24.0133 -24.0133 -6.8678 -6.8675 -6.1262 -6.1194 -6.1037 -6.1008 -6.0339 -6.0261 1.1999 1.2157 1.2670 1.2784 2.0566 2.0617 2.4412 2.4431 2.7278 2.7369 2.7859 2.8041 3.0506 3.0522 3.1494 3.1807 3.2762 3.3064 3.5205 3.5519 3.6055 3.6398 3.8167 3.8302 3.9346 3.9385 4.1169 4.1173 4.2370 4.3289 4.3519 4.3725 4.4341 4.4853 4.5556 4.5571 4.6595 4.6828 4.7941 4.7965 4.8681 4.9474 4.9980 5.0119 5.0775 5.1061 5.3799 5.3956 5.6235 5.6308 6.0347 6.0384 6.1921 6.2170 8.1848 8.2405 8.3254 8.3346 8.5601 8.5704 8.6104 8.6996 8.8319 8.8343 9.8803 9.9046 11.9183 11.9440 k = 0.1875 0.1875-0.0000 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0948 -26.0948 -24.0138 -24.0138 -24.0133 -24.0133 -6.8855 -6.8852 -6.1170 -6.1105 -6.0945 -6.0919 -6.0317 -6.0245 1.1781 1.1924 1.2385 1.2493 2.0333 2.0376 2.4711 2.4733 2.7259 2.7343 2.7806 2.7989 3.0765 3.0778 3.1691 3.2000 3.2837 3.3123 3.5432 3.5780 3.6154 3.6472 3.8214 3.8338 3.9275 3.9300 4.0965 4.0970 4.2525 4.3360 4.3610 4.3855 4.4392 4.4890 4.5672 4.5675 4.6570 4.6794 4.7851 4.7866 4.8786 4.9593 5.0042 5.0135 5.0739 5.1061 5.3530 5.3689 5.6658 5.6753 6.0564 6.0610 6.1980 6.2219 8.1813 8.2353 8.3187 8.3273 8.5543 8.5662 8.5837 8.6720 8.8020 8.8040 9.7881 9.8110 11.9029 11.9350 k = 0.1750 0.1750-0.0000 ( 6827 PWs) bands (ev): -48.4660 -48.4660 -26.0948 -26.0948 -24.0137 -24.0137 -24.0132 -24.0132 -6.9023 -6.9021 -6.1081 -6.1019 -6.0856 -6.0832 -6.0298 -6.0232 1.1570 1.1700 1.2108 1.2210 2.0112 2.0147 2.4996 2.5021 2.7242 2.7319 2.7755 2.7937 3.1001 3.1040 3.1886 3.2187 3.2916 3.3180 3.5643 3.6028 3.6260 3.6547 3.8248 3.8362 3.9204 3.9212 4.0755 4.0764 4.2699 4.3436 4.3702 4.3991 4.4446 4.4921 4.5775 4.5788 4.6554 4.6769 4.7742 4.7770 4.8916 4.9702 5.0109 5.0153 5.0704 5.1070 5.3273 5.3433 5.7100 5.7213 6.0772 6.0824 6.2031 6.2260 8.1799 8.2321 8.3131 8.3211 8.5445 8.5488 8.5687 8.6467 8.7727 8.7743 9.6952 9.7167 11.8873 11.9152 k = 0.1625 0.1625-0.0000 ( 6843 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0136 -24.0136 -24.0132 -24.0132 -6.9182 -6.9181 -6.0996 -6.0937 -6.0769 -6.0748 -6.0282 -6.0221 1.1368 1.1485 1.1843 1.1938 1.9902 1.9930 2.5265 2.5293 2.7228 2.7297 2.7705 2.7884 3.1227 3.1287 3.2079 3.2367 3.3001 3.3235 3.5837 3.6259 3.6375 3.6623 3.8272 3.8375 3.9122 3.9129 4.0542 4.0556 4.2886 4.3518 4.3793 4.4131 4.4503 4.4944 4.5868 4.5904 4.6549 4.6752 4.7636 4.7665 4.9060 4.9793 5.0177 5.0181 5.0671 5.1090 5.3030 5.3190 5.7558 5.7685 6.0968 6.1024 6.2073 6.2289 8.1806 8.2310 8.3087 8.3162 8.5227 8.5304 8.5610 8.6239 8.7444 8.7454 9.6019 9.6221 11.8728 11.8972 k = 0.1500 0.1500-0.0000 ( 6851 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0135 -24.0135 -24.0132 -24.0132 -6.9332 -6.9330 -6.0914 -6.0860 -6.0686 -6.0668 -6.0267 -6.0212 1.1176 1.1282 1.1589 1.1678 1.9706 1.9728 2.5518 2.5546 2.7216 2.7278 2.7659 2.7833 3.1442 3.1517 3.2268 3.2541 3.3091 3.3289 3.6012 3.6471 3.6498 3.6704 3.8288 3.8380 3.9033 3.9052 4.0328 4.0347 4.3081 4.3604 4.3883 4.4270 4.4563 4.4961 4.5954 4.6017 4.6553 4.6744 4.7535 4.7556 4.9209 4.9858 5.0219 5.0256 5.0647 5.1123 5.2803 5.2959 5.8027 5.8164 6.1152 6.1208 6.2107 6.2309 8.1836 8.2322 8.3054 8.3123 8.4966 8.5124 8.5524 8.6034 8.7174 8.7176 9.5085 9.5274 11.8597 11.8811 k = 0.1375 0.1375-0.0000 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0135 -24.0135 -24.0132 -24.0132 -6.9471 -6.9470 -6.0837 -6.0788 -6.0608 -6.0591 -6.0253 -6.0205 1.0996 1.1090 1.1350 1.1432 1.9522 1.9539 2.5751 2.5780 2.7207 2.7263 2.7615 2.7783 3.1642 3.1725 3.2454 3.2707 3.3183 3.3341 3.6172 3.6628 3.6657 3.6796 3.8297 3.8379 3.8943 3.8971 4.0115 4.0139 4.3279 4.3696 4.3970 4.4401 4.4626 4.4969 4.6035 4.6124 4.6566 4.6742 4.7438 4.7447 4.9358 4.9892 5.0283 5.0331 5.0638 5.1166 5.2591 5.2744 5.8502 5.8646 6.1321 6.1375 6.2134 6.2318 8.1890 8.2357 8.3033 8.3096 8.4714 8.4918 8.5420 8.5846 8.6914 8.6920 9.4155 9.4331 11.8482 11.8670 k = 0.1250 0.1250-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0134 -24.0134 -24.0131 -24.0131 -6.9599 -6.9598 -6.0765 -6.0722 -6.0534 -6.0519 -6.0240 -6.0200 1.0828 1.0912 1.1126 1.1201 1.9352 1.9365 2.5963 2.5990 2.7203 2.7253 2.7576 2.7736 3.1826 3.1910 3.2633 3.2866 3.3276 3.3392 3.6321 3.6761 3.6799 3.6918 3.8301 3.8374 3.8856 3.8888 3.9904 3.9931 4.3475 4.3794 4.4053 4.4521 4.4691 4.4972 4.6111 4.6223 4.6587 4.6745 4.7340 4.7346 4.9497 4.9900 5.0365 5.0403 5.0654 5.1220 5.2398 5.2544 5.8980 5.9127 6.1474 6.1523 6.2153 6.2318 8.1969 8.2417 8.3022 8.3079 8.4476 8.4700 8.5301 8.5664 8.6667 8.6684 9.3233 9.3396 11.8385 11.8548 k = 0.1125 0.1125-0.0000 ( 6853 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0133 -24.0133 -24.0131 -24.0131 -6.9716 -6.9716 -6.0699 -6.0662 -6.0465 -6.0453 -6.0227 -6.0195 1.0674 1.0747 1.0920 1.0988 1.9197 1.9206 2.6152 2.6176 2.7204 2.7250 2.7541 2.7691 3.1994 3.2071 3.2806 3.3019 3.3367 3.3442 3.6463 3.6893 3.6904 3.7064 3.8301 3.8366 3.8771 3.8803 3.9697 3.9726 4.3664 4.3897 4.4133 4.4623 4.4757 4.4967 4.6186 4.6314 4.6615 4.6750 4.7238 4.7259 4.9615 4.9892 5.0453 5.0471 5.0700 5.1281 5.2223 5.2363 5.9453 5.9599 6.1612 6.1651 6.2167 6.2310 8.2074 8.2502 8.3022 8.3073 8.4254 8.4483 8.5172 8.5485 8.6438 8.6466 9.2326 9.2474 11.8304 11.8446 k = 0.1000 0.1000-0.0000 ( 6851 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0133 -24.0133 -24.0131 -24.0131 -6.9822 -6.9822 -6.0639 -6.0610 -6.0403 -6.0392 -6.0215 -6.0190 1.0534 1.0598 1.0731 1.0792 1.9056 1.9063 2.6315 2.6335 2.7213 2.7255 2.7511 2.7650 3.2142 3.2208 3.2971 3.3164 3.3452 3.3490 3.6603 3.6999 3.7020 3.7206 3.8298 3.8356 3.8689 3.8716 3.9493 3.9523 4.3841 4.4007 4.4208 4.4707 4.4822 4.4957 4.6259 4.6393 4.6647 4.6755 4.7141 4.7176 4.9702 4.9876 5.0540 5.0540 5.0777 5.1348 5.2070 5.2200 5.9914 6.0055 6.1732 6.1760 6.2177 6.2296 8.2204 8.2610 8.3033 8.3076 8.4053 8.4275 8.5038 8.5311 8.6227 8.6265 9.1439 9.1571 11.8238 11.8361 k = 0.0875 0.0875-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0132 -24.0132 -24.0131 -24.0131 -6.9916 -6.9916 -6.0587 -6.0564 -6.0346 -6.0337 -6.0203 -6.0185 1.0409 1.0464 1.0563 1.0616 1.8930 1.8935 2.6449 2.6464 2.7231 2.7270 2.7486 2.7612 3.2271 3.2323 3.3124 3.3299 3.3529 3.3536 3.6745 3.7095 3.7139 3.7336 3.8293 3.8344 3.8611 3.8628 3.9296 3.9323 4.4000 4.4125 4.4279 4.4773 4.4880 4.4943 4.6332 4.6462 4.6681 4.6756 4.7053 4.7098 4.9756 4.9856 5.0609 5.0618 5.0880 5.1418 5.1938 5.2058 6.0355 6.0488 6.1836 6.1847 6.2186 6.2277 8.2358 8.2738 8.3056 8.3089 8.3872 8.4083 8.4908 8.5145 8.6034 8.6080 9.0579 9.0693 11.8188 11.8292 k = 0.0750 0.0750-0.0000 ( 6845 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0132 -24.0132 -24.0131 -24.0131 -6.9999 -6.9998 -6.0542 -6.0526 -6.0296 -6.0288 -6.0191 -6.0180 1.0300 1.0346 1.0415 1.0460 1.8821 1.8824 2.6554 2.6564 2.7259 2.7295 2.7466 2.7577 3.2381 3.2418 3.3266 3.3422 3.3580 3.3597 3.6889 3.7195 3.7250 3.7451 3.8285 3.8330 3.8540 3.8543 3.9107 3.9130 4.4136 4.4252 4.4345 4.4825 4.4925 4.4927 4.6405 4.6521 4.6715 4.6752 4.6977 4.7025 4.9782 4.9835 5.0674 5.0684 5.1004 5.1487 5.1831 5.1940 6.0768 6.0889 6.1914 6.1923 6.2195 6.2255 8.2532 8.2873 8.3098 8.3110 8.3717 8.3914 8.4795 8.4998 8.5861 8.5912 8.9752 8.9848 11.8151 11.8238 k = 0.0625 0.0625-0.0000 ( 6857 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0131 -24.0131 -7.0069 -7.0068 -6.0505 -6.0495 -6.0253 -6.0246 -6.0180 -6.0174 1.0207 1.0245 1.0288 1.0326 1.8727 1.8729 2.6630 2.6636 2.7296 2.7329 2.7452 2.7546 3.2472 3.2495 3.3393 3.3528 3.3622 3.3653 3.7036 3.7299 3.7353 3.7551 3.8272 3.8309 3.8463 3.8475 3.8926 3.8943 4.4255 4.4381 4.4404 4.4862 4.4904 4.4958 4.6475 4.6571 4.6740 4.6744 4.6917 4.6958 4.9789 4.9815 5.0726 5.0735 5.1137 5.1551 5.1747 5.1843 6.1141 6.1246 6.1963 6.1994 6.2206 6.2234 8.2715 8.2988 8.3139 8.3170 8.3593 8.3772 8.4716 8.4884 8.5709 8.5760 8.8966 8.9042 11.8125 11.8196 k = 0.0500 0.0500-0.0000 ( 6855 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0126 -7.0126 -6.0476 -6.0470 -6.0217 -6.0212 -6.0170 -6.0168 1.0131 1.0161 1.0184 1.0215 1.8650 1.8650 2.6682 2.6685 2.7338 2.7366 2.7442 2.7519 3.2544 3.2556 3.3504 3.3616 3.3659 3.3698 3.7187 3.7408 3.7449 3.7634 3.8253 3.8276 3.8394 3.8417 3.8760 3.8769 4.4360 4.4459 4.4502 4.4883 4.4886 4.4973 4.6541 4.6613 4.6720 4.6764 4.6875 4.6898 4.9785 4.9796 5.0764 5.0770 5.1271 5.1605 5.1688 5.1769 6.1465 6.1551 6.1996 6.2048 6.2218 6.2219 8.2891 8.3065 8.3170 8.3254 8.3517 8.3665 8.4694 8.4824 8.5581 8.5629 8.8229 8.8284 11.8108 11.8165 k = 0.0375 0.0375-0.0000 ( 6861 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0131 -24.0131 -24.0130 -24.0130 -7.0171 -7.0171 -6.0455 -6.0452 -6.0188 -6.0185 -6.0162 -6.0161 1.0073 1.0095 1.0104 1.0127 1.8589 1.8589 2.6715 2.6716 2.7378 2.7400 2.7437 2.7496 3.2598 3.2603 3.3597 3.3683 3.3692 3.3730 3.7338 3.7517 3.7536 3.7700 3.8227 3.8229 3.8333 3.8361 3.8618 3.8621 4.4452 4.4506 4.4611 4.4863 4.4895 4.4970 4.6600 4.6648 4.6700 4.6770 4.6847 4.6850 4.9777 4.9781 5.0789 5.0791 5.1393 5.1645 5.1651 5.1715 6.1729 6.1790 6.2019 6.2079 6.2217 6.2234 8.3035 8.3119 8.3196 8.3275 8.3516 8.3599 8.4763 8.4848 8.5479 8.5519 8.7549 8.7584 11.8099 11.8141 k = 0.0250 0.0250-0.0000 ( 6867 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0203 -7.0203 -6.0440 -6.0439 -6.0168 -6.0166 -6.0156 -6.0155 1.0032 1.0046 1.0047 1.0062 1.8546 1.8546 2.6734 2.6734 2.7412 2.7428 2.7437 2.7476 3.2635 3.2637 3.3669 3.3720 3.3727 3.3750 3.7487 3.7614 3.7621 3.7743 3.8180 3.8195 3.8258 3.8291 3.8519 3.8519 4.4525 4.4546 4.4707 4.4850 4.4891 4.4950 4.6649 4.6677 4.6688 4.6753 4.6824 4.6828 4.9768 4.9769 5.0802 5.0803 5.1498 5.1632 5.1664 5.1678 6.1919 6.1954 6.2036 6.2086 6.2238 6.2252 8.3131 8.3162 8.3207 8.3246 8.3546 8.3569 8.4939 8.4980 8.5406 8.5435 8.6940 8.6956 11.8096 11.8124 k = 0.0125 0.0125-0.0000 ( 6863 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0222 -7.0222 -6.0432 -6.0431 -6.0155 -6.0154 -6.0152 -6.0152 1.0009 1.0014 1.0016 1.0021 1.8520 1.8520 2.6745 2.6745 2.7436 2.7442 2.7445 2.7461 3.2657 3.2657 3.3720 3.3739 3.3747 3.3758 3.7623 3.7680 3.7702 3.7755 3.8149 3.8164 3.8175 3.8204 3.8471 3.8471 4.4571 4.4575 4.4790 4.4848 4.4877 4.4913 4.6684 4.6687 4.6695 4.6724 4.6814 4.6815 4.9762 4.9762 5.0808 5.0808 5.1579 5.1628 5.1650 5.1663 6.2029 6.2041 6.2051 6.2078 6.2270 6.2273 8.3186 8.3194 8.3205 8.3219 8.3557 8.3559 8.5192 8.5202 8.5365 8.5380 8.6436 8.6439 11.8099 11.8115 k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0229 -7.0229 -6.0429 -6.0429 -6.0151 -6.0151 -6.0151 -6.0151 1.0004 1.0004 1.0004 1.0004 1.8511 1.8511 2.6748 2.6748 2.7448 2.7448 2.7448 2.7448 3.2664 3.2664 3.3749 3.3749 3.3749 3.3749 3.7720 3.7720 3.7720 3.7720 3.8146 3.8146 3.8146 3.8146 3.8459 3.8459 4.4586 4.4586 4.4859 4.4859 4.4859 4.4859 4.6700 4.6700 4.6700 4.6700 4.6810 4.6810 4.9760 4.9760 5.0810 5.0810 5.1634 5.1634 5.1634 5.1634 6.2065 6.2065 6.2065 6.2065 6.2284 6.2284 8.3205 8.3205 8.3205 8.3205 8.3557 8.3557 8.5356 8.5356 8.5356 8.5356 8.6189 8.6189 11.8103 11.8103 k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0229 -7.0229 -6.0429 -6.0429 -6.0151 -6.0151 -6.0151 -6.0151 1.0004 1.0004 1.0004 1.0004 1.8511 1.8511 2.6748 2.6748 2.7448 2.7448 2.7448 2.7448 3.2664 3.2664 3.3749 3.3749 3.3749 3.3749 3.7720 3.7720 3.7720 3.7720 3.8146 3.8146 3.8146 3.8146 3.8459 3.8459 4.4586 4.4586 4.4859 4.4859 4.4859 4.4859 4.6700 4.6700 4.6700 4.6700 4.6810 4.6810 4.9760 4.9760 5.0810 5.0810 5.1634 5.1634 5.1634 5.1634 6.2065 6.2065 6.2065 6.2065 6.2284 6.2284 8.3205 8.3205 8.3205 8.3205 8.3557 8.3557 8.5356 8.5356 8.5356 8.5356 8.6189 8.6189 11.8103 11.8103 k = 0.0102 0.0102 0.0102 ( 6859 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0222 -7.0222 -6.0431 -6.0431 -6.0154 -6.0153 -6.0153 -6.0153 1.0009 1.0015 1.0015 1.0021 1.8520 1.8520 2.6745 2.6745 2.7439 2.7442 2.7442 2.7461 3.2657 3.2657 3.3720 3.3744 3.3744 3.3757 3.7625 3.7692 3.7692 3.7749 3.8160 3.8160 3.8170 3.8205 3.8471 3.8471 4.4573 4.4573 4.4788 4.4863 4.4863 4.4915 4.6687 4.6689 4.6689 4.6727 4.6814 4.6814 4.9762 4.9762 5.0808 5.0808 5.1576 5.1640 5.1640 5.1663 6.2034 6.2034 6.2051 6.2080 6.2272 6.2272 8.3194 8.3194 8.3201 8.3216 8.3558 8.3558 8.5196 8.5196 8.5365 8.5382 8.6437 8.6437 11.8104 11.8116 k = 0.0204 0.0204 0.0204 ( 6868 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0130 -24.0130 -24.0130 -24.0130 -7.0203 -7.0203 -6.0439 -6.0439 -6.0164 -6.0161 -6.0161 -6.0160 1.0035 1.0046 1.0046 1.0059 1.8546 1.8546 2.6734 2.6734 2.7423 2.7423 2.7431 2.7476 3.2636 3.2636 3.3669 3.3727 3.3727 3.3742 3.7503 3.7622 3.7622 3.7711 3.8180 3.8180 3.8274 3.8306 3.8515 3.8515 4.4537 4.4537 4.4700 4.4872 4.4872 4.4952 4.6657 4.6657 4.6690 4.6766 4.6824 4.6824 4.9769 4.9769 5.0802 5.0802 5.1489 5.1660 5.1660 5.1664 6.1928 6.1928 6.2038 6.2097 6.2247 6.2247 8.3162 8.3162 8.3203 8.3232 8.3551 8.3551 8.4957 8.4957 8.5409 8.5442 8.6947 8.6947 11.8118 11.8147 k = 0.0306 0.0306 0.0306 ( 6856 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0130 -24.0130 -24.0130 -7.0171 -7.0171 -6.0452 -6.0452 -6.0178 -6.0174 -6.0174 -6.0173 1.0082 1.0098 1.0098 1.0119 1.8589 1.8589 2.6716 2.6716 2.7394 2.7394 2.7428 2.7495 3.2602 3.2602 3.3598 3.3699 3.3699 3.3704 3.7376 3.7533 3.7533 3.7647 3.8177 3.8177 3.8418 3.8428 3.8595 3.8595 4.4482 4.4482 4.4601 4.4881 4.4881 4.4972 4.6610 4.6610 4.6709 4.6815 4.6836 4.6836 4.9779 4.9779 5.0789 5.0789 5.1374 5.1637 5.1699 5.1699 6.1738 6.1738 6.2027 6.2114 6.2226 6.2226 8.3112 8.3112 8.3211 8.3254 8.3520 8.3520 8.4803 8.4803 8.5486 8.5534 8.7564 8.7564 11.8151 11.8201 k = 0.0408 0.0408 0.0408 ( 6865 PWs) bands (ev): -48.4662 -48.4662 -26.0945 -26.0945 -24.0131 -24.0131 -24.0131 -24.0131 -7.0126 -7.0126 -6.0470 -6.0470 -6.0198 -6.0192 -6.0192 -6.0191 1.0150 1.0171 1.0171 1.0199 1.8650 1.8650 2.6686 2.6686 2.7358 2.7358 2.7427 2.7515 3.2553 3.2553 3.3509 3.3641 3.3660 3.3660 3.7252 3.7436 3.7436 3.7578 3.8146 3.8146 3.8565 3.8578 3.8705 3.8705 4.4413 4.4413 4.4489 4.4887 4.4887 4.4973 4.6549 4.6549 4.6743 4.6848 4.6848 4.6872 4.9790 4.9790 5.0765 5.0765 5.1235 5.1586 5.1763 5.1763 6.1466 6.1466 6.2016 6.2131 6.2207 6.2207 8.3038 8.3038 8.3226 8.3283 8.3466 8.3466 8.4765 8.4765 8.5594 8.5657 8.8251 8.8251 11.8202 11.8273 k = 0.0510 0.0510 0.0510 ( 6850 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0131 -24.0131 -7.0069 -7.0069 -6.0493 -6.0493 -6.0223 -6.0214 -6.0214 -6.0214 1.0238 1.0264 1.0264 1.0300 1.8727 1.8727 2.6639 2.6639 2.7320 2.7320 2.7429 2.7539 3.2490 3.2490 3.3402 3.3555 3.3611 3.3611 3.7135 3.7339 3.7339 3.7510 3.8093 3.8093 3.8714 3.8746 3.8833 3.8833 4.4333 4.4333 4.4368 4.4886 4.4886 4.4960 4.6476 4.6476 4.6791 4.6862 4.6862 4.6936 4.9801 4.9801 5.0730 5.0730 5.1074 5.1515 5.1856 5.1856 6.1126 6.1126 6.2003 6.2145 6.2189 6.2189 8.2938 8.2938 8.3248 8.3318 8.3416 8.3416 8.4825 8.4825 8.5730 8.5809 8.8991 8.8991 11.8270 11.8367 k = 0.0612 0.0612 0.0612 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0945 -26.0945 -24.0131 -24.0131 -24.0131 -24.0131 -6.9999 -6.9999 -6.0521 -6.0521 -6.0254 -6.0243 -6.0242 -6.0242 1.0346 1.0376 1.0376 1.0421 1.8820 1.8820 2.6571 2.6571 2.7286 2.7286 2.7435 2.7566 3.2413 3.2413 3.3278 3.3445 3.3553 3.3553 3.7025 3.7242 3.7242 3.7446 3.8020 3.8020 3.8871 3.8919 3.8972 3.8972 4.4238 4.4244 4.4244 4.4879 4.4879 4.4931 4.6390 4.6390 4.6851 4.6876 4.6876 4.7004 4.9808 4.9808 5.0686 5.0686 5.0896 5.1428 5.1981 5.1981 6.0728 6.0728 6.1988 6.2156 6.2167 6.2167 8.2822 8.2822 8.3277 8.3361 8.3387 8.3387 8.4955 8.4955 8.5893 8.5985 8.9774 8.9774 11.8353 11.8470 k = 0.0714 0.0714 0.0714 ( 6844 PWs) bands (ev): -48.4661 -48.4661 -26.0945 -26.0945 -24.0131 -24.0131 -24.0131 -24.0131 -6.9916 -6.9916 -6.0554 -6.0554 -6.0289 -6.0277 -6.0274 -6.0274 1.0472 1.0506 1.0506 1.0562 1.8929 1.8929 2.6476 2.6476 2.7259 2.7259 2.7444 2.7595 3.2322 3.2322 3.3139 3.3312 3.3486 3.3486 3.6924 3.7146 3.7146 3.7386 3.7930 3.7930 3.9036 3.9095 3.9117 3.9117 4.4100 4.4146 4.4146 4.4863 4.4863 4.4890 4.6295 4.6295 4.6891 4.6891 4.6921 4.7076 4.9809 4.9809 5.0639 5.0639 5.0705 5.1328 5.2136 5.2136 6.0280 6.0280 6.1970 6.2140 6.2140 6.2162 8.2706 8.2706 8.3312 8.3380 8.3380 8.3410 8.5130 8.5130 8.6078 8.6184 9.0589 9.0589 11.8450 11.8582 k = 0.0816 0.0816 0.0816 ( 6832 PWs) bands (ev): -48.4660 -48.4660 -26.0946 -26.0946 -24.0132 -24.0132 -24.0132 -24.0132 -6.9822 -6.9822 -6.0591 -6.0591 -6.0329 -6.0315 -6.0310 -6.0310 1.0617 1.0654 1.0654 1.0721 1.9054 1.9054 2.6353 2.6353 2.7243 2.7243 2.7456 2.7627 3.2218 3.2218 3.2986 3.3158 3.3413 3.3413 3.6831 3.7052 3.7052 3.7330 3.7824 3.7824 3.9209 3.9266 3.9266 3.9272 4.3957 4.4040 4.4040 4.4839 4.4841 4.4841 4.6191 4.6191 4.6908 4.6908 4.6998 4.7150 4.9801 4.9801 5.0508 5.0596 5.0596 5.1222 5.2322 5.2322 5.9793 5.9793 6.1946 6.2107 6.2107 6.2162 8.2607 8.2607 8.3354 8.3391 8.3391 8.3466 8.5338 8.5338 8.6282 8.6402 9.1427 9.1427 11.8556 11.8706 k = 0.0918 0.0918 0.0918 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0946 -26.0946 -24.0132 -24.0132 -24.0132 -24.0132 -6.9716 -6.9716 -6.0633 -6.0633 -6.0373 -6.0358 -6.0351 -6.0351 1.0779 1.0819 1.0819 1.0897 1.9192 1.9192 2.6201 2.6201 2.7237 2.7237 2.7471 2.7660 3.2100 3.2100 3.2821 3.2984 3.3332 3.3332 3.6746 3.6958 3.6958 3.7277 3.7703 3.7703 3.9387 3.9417 3.9417 3.9448 4.3808 4.3929 4.3929 4.4779 4.4811 4.4811 4.6081 4.6081 4.6926 4.6926 4.7079 4.7225 4.9782 4.9782 5.0309 5.0561 5.0561 5.1111 5.2534 5.2534 5.9274 5.9274 6.1916 6.2068 6.2068 6.2153 8.2530 8.2530 8.3401 8.3416 8.3416 8.3528 8.5570 8.5570 8.6502 8.6636 9.2277 9.2277 11.8667 11.8819 k = 0.1020 0.1020 0.1020 ( 6844 PWs) bands (ev): -48.4661 -48.4661 -26.0946 -26.0946 -24.0133 -24.0133 -24.0133 -24.0133 -6.9599 -6.9599 -6.0678 -6.0678 -6.0422 -6.0406 -6.0395 -6.0395 1.0956 1.1000 1.1000 1.1090 1.9344 1.9344 2.6021 2.6021 2.7240 2.7240 2.7490 2.7696 3.1968 3.1968 3.2645 3.2792 3.3247 3.3247 3.6668 3.6862 3.6862 3.7226 3.7569 3.7569 3.9568 3.9568 3.9571 3.9624 4.3655 4.3812 4.3812 4.4712 4.4775 4.4775 4.5967 4.5967 4.6944 4.6944 4.7164 4.7300 4.9753 4.9753 5.0113 5.0537 5.0537 5.1002 5.2773 5.2773 5.8733 5.8733 6.1879 6.2021 6.2021 6.2136 8.2480 8.2480 8.3451 8.3451 8.3453 8.3597 8.5820 8.5820 8.6735 8.6883 9.3130 9.3130 11.8778 11.8938 k = 0.1122 0.1122 0.1122 ( 6844 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0133 -24.0133 -24.0133 -24.0133 -6.9470 -6.9470 -6.0728 -6.0728 -6.0475 -6.0457 -6.0444 -6.0444 1.1148 1.1194 1.1194 1.1298 1.9509 1.9509 2.5816 2.5816 2.7251 2.7251 2.7511 2.7734 3.1826 3.1826 3.2460 3.2584 3.3158 3.3158 3.6596 3.6761 3.6761 3.7177 3.7426 3.7426 3.9717 3.9717 3.9758 3.9797 4.3500 4.3692 4.3692 4.4641 4.4733 4.4733 4.5852 4.5852 4.6964 4.6964 4.7249 4.7376 4.9717 4.9717 4.9925 5.0525 5.0525 5.0897 5.3035 5.3035 5.8176 5.8176 6.1833 6.1966 6.1966 6.2110 8.2458 8.2458 8.3496 8.3496 8.3509 8.3671 8.6084 8.6084 8.6979 8.7141 9.3975 9.3975 11.8881 11.9047 k = 0.1224 0.1224 0.1224 ( 6847 PWs) bands (ev): -48.4661 -48.4661 -26.0947 -26.0947 -24.0134 -24.0134 -24.0134 -24.0134 -6.9331 -6.9331 -6.0782 -6.0782 -6.0532 -6.0513 -6.0495 -6.0495 1.1354 1.1402 1.1402 1.1520 1.9684 1.9684 2.5587 2.5587 2.7268 2.7268 2.7536 2.7772 3.1672 3.1672 3.2267 3.2363 3.3065 3.3065 3.6530 3.6648 3.6648 3.7128 3.7278 3.7278 3.9863 3.9863 3.9948 3.9968 4.3345 4.3571 4.3571 4.4567 4.4686 4.4686 4.5738 4.5738 4.6985 4.6985 4.7332 4.7451 4.9678 4.9678 4.9751 5.0522 5.0522 5.0799 5.3318 5.3318 5.7610 5.7610 6.1779 6.1903 6.1903 6.2074 8.2466 8.2466 8.3547 8.3547 8.3568 8.3750 8.6359 8.6359 8.7231 8.7407 9.4803 9.4803 11.8971 11.9141 k = 0.1327 0.1327 0.1327 ( 6835 PWs) bands (ev): -48.4660 -48.4660 -26.0947 -26.0947 -24.0134 -24.0134 -24.0134 -24.0134 -6.9181 -6.9181 -6.0839 -6.0839 -6.0592 -6.0572 -6.0550 -6.0550 1.1570 1.1620 1.1620 1.1755 1.9870 1.9870 2.5337 2.5337 2.7290 2.7290 2.7564 2.7812 3.1510 3.1510 3.2068 3.2132 3.2970 3.2970 3.6467 3.6517 3.6517 3.7080 3.7132 3.7132 4.0004 4.0004 4.0134 4.0139 4.3193 4.3450 4.3450 4.4493 4.4634 4.4634 4.5629 4.5629 4.7009 4.7009 4.7411 4.7525 4.9596 4.9640 4.9640 5.0525 5.0525 5.0710 5.3622 5.3622 5.7039 5.7039 6.1718 6.1833 6.1833 6.2029 8.2502 8.2502 8.3604 8.3604 8.3630 8.3833 8.6642 8.6642 8.7489 8.7681 9.5603 9.5603 11.9042 11.9217 k = 0.1429 0.1429 0.1429 ( 6844 PWs) bands (ev): -48.4661 -48.4661 -26.0948 -26.0948 -24.0135 -24.0135 -24.0135 -24.0135 -6.9022 -6.9022 -6.0899 -6.0899 -6.0655 -6.0634 -6.0608 -6.0608 1.1797 1.1848 1.1848 1.2000 2.0064 2.0064 2.5066 2.5066 2.7317 2.7317 2.7594 2.7853 3.1340 3.1340 3.1864 3.1893 3.2873 3.2873 3.6359 3.6359 3.6406 3.6997 3.6997 3.7029 4.0138 4.0138 4.0294 4.0330 4.3044 4.3332 4.3332 4.4421 4.4578 4.4578 4.5525 4.5525 4.7035 4.7035 4.7483 4.7597 4.9462 4.9606 4.9606 5.0529 5.0529 5.0633 5.3943 5.3943 5.6470 5.6470 6.1649 6.1756 6.1756 6.1974 8.2568 8.2568 8.3667 8.3667 8.3693 8.3918 8.6932 8.6932 8.7753 8.7960 9.6367 9.6367 11.9090 11.9271 k = 0.1531 0.1531 0.1531 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0948 -26.0948 -24.0136 -24.0136 -24.0135 -24.0135 -6.8853 -6.8853 -6.0962 -6.0962 -6.0722 -6.0699 -6.0668 -6.0668 1.2031 1.2084 1.2084 1.2255 2.0264 2.0264 2.4776 2.4776 2.7346 2.7346 2.7628 2.7893 3.1165 3.1165 3.1650 3.1659 3.2776 3.2776 3.6171 3.6171 3.6347 3.6876 3.6876 3.6977 4.0264 4.0264 4.0447 4.0518 4.2903 4.3220 4.3220 4.4352 4.4519 4.4519 4.5429 4.5429 4.7064 4.7064 4.7547 4.7668 4.9355 4.9579 4.9579 5.0533 5.0533 5.0569 5.4280 5.4280 5.5907 5.5907 6.1572 6.1673 6.1673 6.1911 8.2661 8.2661 8.3734 8.3734 8.3756 8.4005 8.7228 8.7228 8.8020 8.8243 9.7086 9.7086 11.9111 11.9299 k = 0.1633 0.1633 0.1633 ( 6820 PWs) bands (ev): -48.4659 -48.4659 -26.0949 -26.0949 -24.0136 -24.0136 -24.0136 -24.0136 -6.8675 -6.8675 -6.1027 -6.1027 -6.0790 -6.0767 -6.0730 -6.0730 1.2272 1.2325 1.2325 1.2516 2.0469 2.0469 2.4471 2.4471 2.7379 2.7379 2.7664 2.7933 3.0987 3.0987 3.1406 3.1453 3.2677 3.2677 3.5952 3.5952 3.6289 3.6770 3.6770 3.6922 4.0378 4.0378 4.0592 4.0701 4.2773 4.3116 4.3116 4.4291 4.4460 4.4460 4.5341 4.5341 4.7098 4.7098 4.7598 4.7737 4.9277 4.9559 4.9559 5.0519 5.0534 5.0534 5.4629 5.4629 5.5356 5.5356 6.1490 6.1585 6.1585 6.1841 8.2781 8.2781 8.3806 8.3806 8.3818 8.4092 8.7528 8.7528 8.8291 8.8529 9.7754 9.7754 11.9104 11.9302 k = 0.1735 0.1735 0.1735 ( 6826 PWs) bands (ev): -48.4660 -48.4660 -26.0949 -26.0949 -24.0137 -24.0137 -24.0137 -24.0137 -6.8489 -6.8489 -6.1095 -6.1095 -6.0862 -6.0837 -6.0794 -6.0794 1.2517 1.2569 1.2569 1.2782 2.0675 2.0675 2.4152 2.4152 2.7414 2.7414 2.7703 2.7971 3.0810 3.0810 3.1165 3.1249 3.2578 3.2578 3.5709 3.5709 3.6230 3.6675 3.6675 3.6863 4.0481 4.0481 4.0727 4.0874 4.2657 4.3021 4.3021 4.4238 4.4399 4.4399 4.5261 4.5261 4.7136 4.7136 4.7635 4.7804 4.9231 4.9546 4.9546 5.0482 5.0528 5.0528 5.4776 5.4776 5.5035 5.5035 6.1403 6.1493 6.1493 6.1764 8.2925 8.2925 8.3879 8.3884 8.3884 8.4179 8.7832 8.7832 8.8564 8.8818 9.8365 9.8365 11.9067 11.9276 k = 0.1837 0.1837 0.1837 ( 6826 PWs) bands (ev): -48.4660 -48.4660 -26.0950 -26.0950 -24.0138 -24.0138 -24.0138 -24.0138 -6.8296 -6.8296 -6.1165 -6.1165 -6.0934 -6.0910 -6.0860 -6.0860 1.2763 1.2814 1.2814 1.3050 2.0878 2.0878 2.3822 2.3822 2.7451 2.7451 2.7743 2.8005 3.0636 3.0636 3.0930 3.1050 3.2479 3.2479 3.5447 3.5447 3.6170 3.6587 3.6587 3.6800 4.0569 4.0569 4.0853 4.1034 4.2562 4.2939 4.2939 4.4196 4.4340 4.4340 4.5190 4.5190 4.7180 4.7180 4.7657 4.7868 4.9216 4.9540 4.9540 5.0460 5.0515 5.0515 5.4273 5.4273 5.5393 5.5393 6.1313 6.1399 6.1399 6.1683 8.3088 8.3088 8.3937 8.3970 8.3970 8.4264 8.8138 8.8138 8.8841 8.9110 9.8915 9.8915 11.8997 11.9221 k = 0.1939 0.1939 0.1939 ( 6826 PWs) bands (ev): -48.4660 -48.4660 -26.0950 -26.0950 -24.0138 -24.0138 -24.0138 -24.0138 -6.8095 -6.8095 -6.1237 -6.1237 -6.1009 -6.0983 -6.0927 -6.0927 1.3009 1.3057 1.3057 1.3319 2.1073 2.1073 2.3486 2.3486 2.7489 2.7489 2.7786 2.8035 3.0467 3.0467 3.0707 3.0857 3.2381 3.2381 3.5171 3.5171 3.6108 3.6503 3.6503 3.6732 4.0644 4.0644 4.0968 4.1174 4.2493 4.2870 4.2870 4.4166 4.4285 4.4285 4.5128 4.5128 4.7230 4.7230 4.7665 4.7930 4.9231 4.9538 4.9538 5.0452 5.0492 5.0492 5.3769 5.3769 5.5783 5.5783 6.1222 6.1304 6.1304 6.1598 8.3266 8.3266 8.3993 8.4069 8.4069 8.4346 8.8447 8.8447 8.9120 8.9404 9.9403 9.9403 11.8893 11.9135 k = 0.2041 0.2041 0.2041 ( 6824 PWs) bands (ev): -48.4659 -48.4659 -26.0951 -26.0951 -24.0139 -24.0139 -24.0139 -24.0139 -6.7888 -6.7888 -6.1310 -6.1310 -6.1084 -6.1059 -6.0995 -6.0995 1.3251 1.3297 1.3297 1.3585 2.1250 2.1250 2.3153 2.3153 2.7527 2.7527 2.7830 2.8058 3.0308 3.0308 3.0500 3.0675 3.2284 3.2284 3.4887 3.4887 3.6044 3.6420 3.6420 3.6659 4.0705 4.0705 4.1074 4.1286 4.2459 4.2815 4.2815 4.4150 4.4233 4.4233 4.5072 4.5072 4.7285 4.7285 4.7662 4.7988 4.9272 4.9540 4.9540 5.0458 5.0458 5.0458 5.3289 5.3289 5.6184 5.6184 6.1132 6.1211 6.1211 6.1513 8.3446 8.3446 8.4045 8.4190 8.4190 8.4425 8.8758 8.8758 8.9402 8.9700 9.9831 9.9831 11.8752 11.9016 k = 0.2143 0.2143 0.2143 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0140 -24.0140 -24.0140 -24.0140 -6.7675 -6.7675 -6.1384 -6.1384 -6.1161 -6.1135 -6.1063 -6.1063 1.3489 1.3530 1.3530 1.3847 2.1390 2.1390 2.2841 2.2841 2.7566 2.7566 2.7876 2.8072 3.0161 3.0161 3.0314 3.0504 3.2188 3.2188 3.4600 3.4600 3.5977 3.6336 3.6336 3.6580 4.0753 4.0753 4.1170 4.1365 4.2465 4.2772 4.2772 4.4146 4.4186 4.4186 4.5022 4.5022 4.7344 4.7344 4.7649 4.8041 4.9334 4.9541 4.9541 5.0410 5.0410 5.0476 5.2838 5.2838 5.6594 5.6594 6.1045 6.1122 6.1122 6.1430 8.3616 8.3616 8.4094 8.4345 8.4345 8.4499 8.9069 8.9069 8.9687 8.9996 10.0200 10.0200 11.8572 11.8857 k = 0.2245 0.2245 0.2245 ( 6830 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0141 -24.0141 -24.0141 -24.0141 -6.7458 -6.7458 -6.1458 -6.1458 -6.1238 -6.1212 -6.1132 -6.1132 1.3718 1.3754 1.3754 1.4100 2.1454 2.1454 2.2589 2.2589 2.7605 2.7605 2.7922 2.8076 3.0030 3.0030 3.0155 3.0348 3.2094 3.2094 3.4314 3.4314 3.5907 3.6251 3.6251 3.6496 4.0789 4.0789 4.1259 4.1411 4.2512 4.2742 4.2742 4.4145 4.4145 4.4155 4.4979 4.4979 4.7407 4.7407 4.7629 4.8091 4.9413 4.9535 4.9535 5.0349 5.0349 5.0506 5.2423 5.2423 5.7012 5.7012 6.0966 6.1039 6.1039 6.1352 8.3761 8.3761 8.4139 8.4545 8.4545 8.4569 8.9382 8.9382 8.9974 9.0294 10.0516 10.0516 11.8347 11.8637 k = 0.2347 0.2347 0.2347 ( 6833 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0142 -24.0141 -24.0141 -24.0141 -6.7236 -6.7236 -6.1534 -6.1534 -6.1315 -6.1289 -6.1201 -6.1201 1.3938 1.3966 1.3966 1.4343 2.1377 2.1377 2.2458 2.2458 2.7645 2.7645 2.7968 2.8067 2.9915 2.9915 3.0025 3.0210 3.2002 3.2002 3.4036 3.4036 3.5834 3.6165 3.6165 3.6406 4.0817 4.0817 4.1343 4.1430 4.2592 4.2722 4.2722 4.4109 4.4109 4.4175 4.4940 4.4940 4.7472 4.7472 4.7605 4.8134 4.9504 4.9511 4.9511 5.0278 5.0278 5.0546 5.2051 5.2051 5.7436 5.7436 6.0896 6.0966 6.0966 6.1281 8.3878 8.3878 8.4180 8.4633 8.4793 8.4793 8.9693 8.9693 9.0263 9.0591 10.0784 10.0784 11.8075 11.8371 k = 0.2449 0.2449 0.2449 ( 6833 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0142 -24.0142 -24.0142 -24.0142 -6.7011 -6.7011 -6.1609 -6.1609 -6.1392 -6.1366 -6.1270 -6.1270 1.4145 1.4165 1.4165 1.4573 2.1149 2.1149 2.2458 2.2458 2.7685 2.7685 2.8015 2.8047 2.9821 2.9821 2.9927 3.0092 3.1912 3.1912 3.3768 3.3768 3.5757 3.6075 3.6075 3.6311 4.0840 4.0840 4.1422 4.1434 4.2695 4.2712 4.2712 4.4077 4.4077 4.4204 4.4905 4.4905 4.7536 4.7536 4.7579 4.8172 4.9454 4.9454 4.9601 5.0208 5.0208 5.0595 5.1728 5.1728 5.7864 5.7864 6.0840 6.0906 6.0906 6.1221 8.3971 8.3971 8.4218 8.4693 8.5081 8.5081 9.0004 9.0004 9.0553 9.0888 10.1011 10.1011 11.7750 11.8053 k = 0.2551 0.2551 0.2551 ( 6833 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0143 -24.0143 -24.0143 -24.0143 -6.6783 -6.6783 -6.1684 -6.1684 -6.1469 -6.1443 -6.1338 -6.1338 1.4338 1.4347 1.4347 1.4786 2.0832 2.0832 2.2525 2.2525 2.7726 2.7726 2.8019 2.8061 2.9748 2.9748 2.9862 2.9995 3.1827 3.1827 3.3518 3.3518 3.5678 3.5983 3.5983 3.6211 4.0858 4.0858 4.1432 4.1500 4.2708 4.2708 4.2809 4.4049 4.4049 4.4239 4.4874 4.4874 4.7550 4.7598 4.7598 4.8202 4.9345 4.9345 4.9700 5.0152 5.0152 5.0649 5.1458 5.1458 5.8296 5.8296 6.0802 6.0861 6.0861 6.1177 8.4047 8.4047 8.4252 8.4747 8.5401 8.5401 9.0311 9.0311 9.0844 9.1182 10.1204 10.1204 11.7367 11.7680 k = 0.2653 0.2653 0.2653 ( 6833 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0144 -24.0144 -24.0144 -24.0144 -6.6554 -6.6554 -6.1758 -6.1758 -6.1545 -6.1519 -6.1406 -6.1406 1.4511 1.4511 1.4515 1.4982 2.0475 2.0475 2.2607 2.2607 2.7769 2.7769 2.7985 2.8107 2.9696 2.9696 2.9827 2.9920 3.1744 3.1744 3.3288 3.3288 3.5597 3.5889 3.5889 3.6107 4.0875 4.0875 4.1431 4.1578 4.2710 4.2710 4.2929 4.4024 4.4024 4.4280 4.4847 4.4847 4.7519 4.7657 4.7657 4.8225 4.9177 4.9177 4.9798 5.0119 5.0119 5.0706 5.1237 5.1237 5.8730 5.8730 6.0783 6.0836 6.0836 6.1151 8.4113 8.4113 8.4284 8.4796 8.5743 8.5743 9.0615 9.0615 9.1132 9.1473 10.1371 10.1371 11.6924 11.7247 k = 0.2755 0.2755 0.2755 ( 6827 PWs) bands (ev): -48.4659 -48.4659 -26.0955 -26.0955 -24.0145 -24.0145 -24.0145 -24.0145 -6.6324 -6.6324 -6.1831 -6.1831 -6.1620 -6.1594 -6.1473 -6.1473 1.4656 1.4656 1.4674 1.5157 2.0102 2.0102 2.2680 2.2680 2.7816 2.7816 2.7952 2.8154 2.9665 2.9665 2.9819 2.9869 3.1667 3.1667 3.3084 3.3084 3.5512 3.5792 3.5792 3.5999 4.0892 4.0892 4.1436 4.1659 4.2716 4.2716 4.3049 4.4002 4.4002 4.4323 4.4822 4.4822 4.7488 4.7710 4.7710 4.8241 4.8962 4.8962 4.9890 5.0104 5.0104 5.0762 5.1058 5.1058 5.9164 5.9164 6.0790 6.0834 6.0834 6.1148 8.4171 8.4171 8.4314 8.4841 8.6103 8.6103 9.0912 9.0912 9.1418 9.1758 10.1517 10.1517 11.6417 11.6752 k = 0.2857 0.2857 0.2857 ( 6818 PWs) bands (ev): -48.4659 -48.4659 -26.0955 -26.0955 -24.0145 -24.0145 -24.0145 -24.0145 -6.6095 -6.6095 -6.1904 -6.1904 -6.1694 -6.1668 -6.1539 -6.1539 1.4780 1.4780 1.4815 1.5311 1.9724 1.9724 2.2732 2.2732 2.7867 2.7867 2.7924 2.8202 2.9656 2.9656 2.9832 2.9841 3.1595 3.1595 3.2909 3.2909 3.5426 3.5693 3.5693 3.5889 4.0912 4.0912 4.1450 4.1744 4.2727 4.2727 4.3168 4.3980 4.3980 4.4368 4.4800 4.4800 4.7455 4.7757 4.7757 4.8249 4.8718 4.8718 4.9972 5.0096 5.0096 5.0813 5.0912 5.0912 5.9597 5.9597 6.0825 6.0859 6.0859 6.1171 8.4225 8.4225 8.4342 8.4882 8.6475 8.6475 9.1202 9.1202 9.1699 9.2034 10.1650 10.1650 11.5847 11.6194 k = 0.2959 0.2959 0.2959 ( 6818 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0146 -24.0146 -24.0146 -24.0146 -6.5866 -6.5866 -6.1975 -6.1975 -6.1766 -6.1740 -6.1603 -6.1603 1.4883 1.4883 1.4936 1.5441 1.9347 1.9347 2.2756 2.2756 2.7908 2.7925 2.7925 2.8252 2.9665 2.9665 2.9835 2.9863 3.1528 3.1528 3.2767 3.2767 3.5338 3.5592 3.5592 3.5776 4.0934 4.0934 4.1473 4.1833 4.2740 4.2740 4.3282 4.3959 4.3959 4.4412 4.4779 4.4779 4.7420 4.7797 4.7797 4.8250 4.8462 4.8462 5.0041 5.0080 5.0080 5.0795 5.0795 5.0855 6.0026 6.0026 6.0891 6.0913 6.0913 6.1224 8.4276 8.4276 8.4370 8.4920 8.6854 8.6854 9.1481 9.1481 9.1971 9.2301 10.1775 10.1775 11.5215 11.5573 k = 0.3061 0.3061 0.3061 ( 6818 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0147 -24.0147 -24.0147 -24.0147 -6.5639 -6.5639 -6.2044 -6.2044 -6.1836 -6.1811 -6.1666 -6.1666 1.4964 1.4964 1.5039 1.5547 1.8974 1.8974 2.2749 2.2749 2.7907 2.7989 2.7989 2.8305 2.9691 2.9691 2.9848 2.9908 3.1467 3.1467 3.2660 3.2660 3.5249 3.5490 3.5490 3.5661 4.0958 4.0958 4.1506 4.1928 4.2756 4.2756 4.3391 4.3938 4.3938 4.4455 4.4759 4.4759 4.7385 4.7829 4.7829 4.8206 4.8206 4.8244 5.0048 5.0048 5.0093 5.0701 5.0701 5.0883 6.0446 6.0446 6.0991 6.1003 6.1003 6.1309 8.4326 8.4326 8.4398 8.4955 8.7238 8.7238 9.1746 9.1746 9.2233 9.2554 10.1897 10.1897 11.4527 11.4895 k = 0.3163 0.3163 0.3163 ( 6812 PWs) bands (ev): -48.4658 -48.4658 -26.0957 -26.0957 -24.0148 -24.0148 -24.0148 -24.0148 -6.5416 -6.5416 -6.2111 -6.2111 -6.1904 -6.1880 -6.1728 -6.1728 1.5025 1.5025 1.5122 1.5630 1.8609 1.8609 2.2709 2.2709 2.7923 2.8062 2.8062 2.8363 2.9732 2.9732 2.9879 2.9962 3.1410 3.1410 3.2591 3.2591 3.5160 3.5386 3.5386 3.5546 4.0985 4.0985 4.1552 4.2028 4.2776 4.2776 4.3494 4.3916 4.3916 4.4497 4.4740 4.4740 4.7348 4.7852 4.7852 4.7962 4.7962 4.8232 4.9992 4.9992 5.0128 5.0627 5.0627 5.0896 6.0847 6.0847 6.1126 6.1140 6.1140 6.1429 8.4376 8.4376 8.4427 8.4989 8.7621 8.7621 9.1995 9.1995 9.2481 9.2791 10.2021 10.2021 11.3789 11.4167 k = 0.3265 0.3265 0.3265 ( 6839 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0148 -24.0148 -24.0148 -24.0148 -6.5196 -6.5196 -6.2176 -6.2176 -6.1970 -6.1946 -6.1788 -6.1788 1.5065 1.5065 1.5187 1.5690 1.8255 1.8255 2.2638 2.2638 2.7957 2.8143 2.8143 2.8426 2.9786 2.9786 2.9924 3.0024 3.1356 3.1356 3.2559 3.2559 3.5070 3.5282 3.5282 3.5430 4.1015 4.1015 4.1607 4.2135 4.2797 4.2797 4.3591 4.3891 4.3891 4.4534 4.4721 4.4721 4.7311 4.7726 4.7726 4.7875 4.7875 4.8213 4.9910 4.9910 5.0141 5.0567 5.0567 5.0888 6.1170 6.1170 6.1297 6.1380 6.1380 6.1585 8.4426 8.4426 8.4458 8.5022 8.8001 8.8001 9.2224 9.2224 9.2710 9.3007 10.2149 10.2149 11.3013 11.3397 k = 0.3367 0.3367 0.3367 ( 6839 PWs) bands (ev): -48.4660 -48.4660 -26.0958 -26.0958 -24.0149 -24.0149 -24.0149 -24.0149 -6.4981 -6.4981 -6.2238 -6.2238 -6.2033 -6.2010 -6.1846 -6.1846 1.5087 1.5087 1.5235 1.5729 1.7913 1.7913 2.2538 2.2538 2.8009 2.8232 2.8232 2.8494 2.9851 2.9851 2.9981 3.0090 3.1305 3.1305 3.2565 3.2565 3.4981 3.5179 3.5179 3.5316 4.1046 4.1046 4.1675 4.2247 4.2822 4.2822 4.3682 4.3865 4.3865 4.4568 4.4701 4.4701 4.7273 4.7516 4.7516 4.7887 4.7887 4.8189 4.9809 4.9809 5.0134 5.0512 5.0512 5.0860 6.1397 6.1397 6.1504 6.1742 6.1742 6.1776 8.4480 8.4480 8.4493 8.5057 8.8375 8.8375 9.2429 9.2429 9.2917 9.3199 10.2284 10.2284 11.2210 11.2599 k = 0.3469 0.3469 0.3469 ( 6839 PWs) bands (ev): -48.4660 -48.4660 -26.0958 -26.0958 -24.0150 -24.0150 -24.0150 -24.0150 -6.4772 -6.4772 -6.2298 -6.2298 -6.2093 -6.2072 -6.1902 -6.1902 1.5093 1.5093 1.5268 1.5747 1.7586 1.7586 2.2411 2.2411 2.8079 2.8328 2.8328 2.8568 2.9924 2.9924 3.0047 3.0160 3.1256 3.1256 3.2606 3.2606 3.4894 3.5076 3.5076 3.5202 4.1079 4.1079 4.1753 4.2366 4.2849 4.2849 4.3768 4.3837 4.3837 4.4598 4.4681 4.4681 4.7236 4.7328 4.7328 4.7894 4.7894 4.8162 4.9691 4.9691 5.0106 5.0455 5.0455 5.0810 6.1622 6.1622 6.1744 6.2000 6.2126 6.2126 8.4532 8.4536 8.4536 8.5093 8.8738 8.8738 9.2606 9.2606 9.3097 9.3363 10.2430 10.2430 11.1394 11.1785 k = 0.3571 0.3571 0.3571 ( 6827 PWs) bands (ev): -48.4659 -48.4659 -26.0959 -26.0959 -24.0150 -24.0150 -24.0150 -24.0150 -6.4570 -6.4570 -6.2355 -6.2355 -6.2150 -6.2130 -6.1956 -6.1956 1.5083 1.5083 1.5287 1.5748 1.7275 1.7275 2.2264 2.2264 2.8164 2.8430 2.8430 2.8647 3.0004 3.0004 3.0120 3.0230 3.1208 3.1208 3.2677 3.2677 3.4808 3.4974 3.4974 3.5091 4.1112 4.1112 4.1841 4.2489 4.2880 4.2880 4.3806 4.3806 4.3849 4.4623 4.4660 4.4660 4.7164 4.7164 4.7200 4.7898 4.7898 4.8130 4.9562 4.9562 5.0058 5.0391 5.0391 5.0737 6.1870 6.1870 6.2014 6.2256 6.2504 6.2504 8.4577 8.4598 8.4598 8.5132 8.9089 8.9089 9.2752 9.2752 9.3246 9.3494 10.2586 10.2586 11.0579 11.0970 k = 0.3673 0.3673 0.3673 ( 6839 PWs) bands (ev): -48.4660 -48.4660 -26.0959 -26.0959 -24.0151 -24.0151 -24.0151 -24.0151 -6.4374 -6.4374 -6.2409 -6.2409 -6.2204 -6.2185 -6.2009 -6.2009 1.5060 1.5060 1.5295 1.5733 1.6982 1.6982 2.2099 2.2099 2.8263 2.8537 2.8537 2.8731 3.0088 3.0088 3.0196 3.0300 3.1161 3.1161 3.2774 3.2774 3.4725 3.4874 3.4874 3.4983 4.1144 4.1144 4.1940 4.2615 4.2912 4.2912 4.3774 4.3774 4.3923 4.4637 4.4637 4.4643 4.7027 4.7027 4.7165 4.7898 4.7898 4.8095 4.9426 4.9426 4.9992 5.0316 5.0316 5.0644 6.2140 6.2140 6.2311 6.2539 6.2871 6.2871 8.4629 8.4665 8.4665 8.5175 8.9424 8.9424 9.2861 9.2861 9.3358 9.3587 10.2754 10.2754 10.9780 11.0166 k = 0.3776 0.3776 0.3776 ( 6839 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0152 -24.0152 -24.0152 -24.0152 -6.4188 -6.4188 -6.2460 -6.2460 -6.2255 -6.2237 -6.2060 -6.2060 1.5026 1.5026 1.5293 1.5706 1.6709 1.6709 2.1924 2.1924 2.8372 2.8646 2.8646 2.8817 3.0175 3.0175 3.0274 3.0368 3.1116 3.1116 3.2891 3.2891 3.4646 3.4776 3.4776 3.4879 4.1174 4.1174 4.2048 4.2745 4.2948 4.2948 4.3740 4.3740 4.3992 4.4613 4.4613 4.4658 4.6916 4.6916 4.7133 4.7896 4.7896 4.8058 4.9284 4.9284 4.9912 5.0229 5.0229 5.0532 6.2429 6.2429 6.2630 6.2843 6.3222 6.3222 8.4689 8.4740 8.4740 8.5223 8.9740 8.9740 9.2930 9.2930 9.3428 9.3639 10.2934 10.2934 10.9010 10.9389 k = 0.3878 0.3878 0.3878 ( 6827 PWs) bands (ev): -48.4659 -48.4659 -26.0960 -26.0960 -24.0152 -24.0152 -24.0152 -24.0152 -6.4010 -6.4010 -6.2507 -6.2507 -6.2302 -6.2285 -6.2109 -6.2109 1.4983 1.4983 1.5283 1.5669 1.6456 1.6456 2.1742 2.1742 2.8489 2.8756 2.8756 2.8906 3.0262 3.0262 3.0351 3.0432 3.1075 3.1075 3.3023 3.3023 3.4570 3.4682 3.4682 3.4779 4.1201 4.1201 4.2165 4.2876 4.2986 4.2986 4.3705 4.3705 4.4057 4.4589 4.4589 4.4667 4.6831 4.6831 4.7106 4.7892 4.7892 4.8018 4.9140 4.9140 4.9819 5.0130 5.0130 5.0403 6.2733 6.2733 6.2964 6.3163 6.3557 6.3557 8.4758 8.4822 8.4822 8.5277 9.0036 9.0036 9.2956 9.2956 9.3452 9.3647 10.3124 10.3124 10.8284 10.8652 k = 0.3980 0.3980 0.3980 ( 6839 PWs) bands (ev): -48.4659 -48.4659 -26.0960 -26.0960 -24.0153 -24.0153 -24.0153 -24.0153 -6.3841 -6.3841 -6.2550 -6.2550 -6.2345 -6.2330 -6.2157 -6.2157 1.4932 1.4932 1.5269 1.5624 1.6226 1.6226 2.1559 2.1559 2.8611 2.8864 2.8864 2.8994 3.0349 3.0349 3.0425 3.0492 3.1036 3.1036 3.3163 3.3163 3.4499 3.4592 3.4592 3.4684 4.1224 4.1224 4.2290 4.3006 4.3025 4.3025 4.3671 4.3671 4.4115 4.4564 4.4564 4.4670 4.6770 4.6770 4.7083 4.7885 4.7885 4.7977 4.8996 4.8996 4.9717 5.0022 5.0022 5.0260 6.3043 6.3043 6.3306 6.3492 6.3873 6.3873 8.4837 8.4913 8.4913 8.5337 9.0307 9.0307 9.2937 9.2937 9.3428 9.3607 10.3323 10.3323 10.7613 10.7965 k = 0.4082 0.4082 0.4082 ( 6842 PWs) bands (ev): -48.4660 -48.4660 -26.0961 -26.0961 -24.0153 -24.0153 -24.0153 -24.0153 -6.3683 -6.3683 -6.2590 -6.2590 -6.2385 -6.2371 -6.2203 -6.2203 1.4877 1.4877 1.5251 1.5574 1.6019 1.6019 2.1380 2.1380 2.8735 2.8969 2.8969 2.9082 3.0432 3.0432 3.0494 3.0547 3.1001 3.1001 3.3306 3.3306 3.4434 3.4506 3.4506 3.4596 4.1243 4.1243 4.2420 4.3065 4.3065 4.3133 4.3638 4.3638 4.4168 4.4541 4.4541 4.4665 4.6733 4.6733 4.7068 4.7876 4.7876 4.7935 4.8858 4.8858 4.9610 4.9905 4.9905 5.0108 6.3353 6.3353 6.3651 6.3822 6.4168 6.4168 8.4927 8.5013 8.5013 8.5405 9.0553 9.0553 9.2874 9.2874 9.3356 9.3520 10.3527 10.3527 10.7008 10.7339 k = 0.4184 0.4184 0.4184 ( 6830 PWs) bands (ev): -48.4659 -48.4659 -26.0961 -26.0961 -24.0154 -24.0154 -24.0153 -24.0153 -6.3536 -6.3536 -6.2626 -6.2626 -6.2421 -6.2408 -6.2248 -6.2248 1.4819 1.4819 1.5231 1.5521 1.5836 1.5836 2.1209 2.1209 2.8858 2.9070 2.9070 2.9166 3.0510 3.0510 3.0556 3.0595 3.0972 3.0972 3.3449 3.3449 3.4375 3.4427 3.4427 3.4515 4.1258 4.1258 4.2557 4.3104 4.3104 4.3254 4.3608 4.3608 4.4216 4.4520 4.4520 4.4654 4.6718 4.6718 4.7062 4.7861 4.7861 4.7891 4.8728 4.8728 4.9502 4.9782 4.9782 4.9949 6.3656 6.3656 6.3989 6.4146 6.4442 6.4442 8.5027 8.5122 8.5122 8.5478 9.0769 9.0769 9.2772 9.2772 9.3238 9.3389 10.3734 10.3734 10.6475 10.6780 k = 0.4286 0.4286 0.4286 ( 6842 PWs) bands (ev): -48.4660 -48.4660 -26.0961 -26.0961 -24.0154 -24.0154 -24.0154 -24.0154 -6.3400 -6.3400 -6.2658 -6.2658 -6.2452 -6.2441 -6.2293 -6.2293 1.4759 1.4759 1.5212 1.5468 1.5677 1.5677 2.1049 2.1049 2.8978 2.9163 2.9163 2.9246 3.0581 3.0581 3.0610 3.0637 3.0947 3.0947 3.3586 3.3586 3.4322 3.4354 3.4354 3.4440 4.1267 4.1267 4.2696 4.3141 4.3141 4.3365 4.3583 4.3583 4.4259 4.4499 4.4499 4.4635 4.6722 4.6722 4.7066 4.7838 4.7838 4.7846 4.8613 4.8613 4.9395 4.9656 4.9656 4.9788 6.3942 6.3942 6.4314 6.4456 6.4692 6.4692 8.5137 8.5237 8.5237 8.5556 9.0953 9.0953 9.2638 9.2638 9.3080 9.3219 10.3939 10.3939 10.6019 10.6294 k = 0.4388 0.4388 0.4388 ( 6827 PWs) bands (ev): -48.4659 -48.4659 -26.0961 -26.0961 -24.0154 -24.0154 -24.0154 -24.0154 -6.3275 -6.3275 -6.2686 -6.2686 -6.2480 -6.2470 -6.2337 -6.2337 1.4700 1.4700 1.5195 1.5415 1.5542 1.5542 2.0903 2.0903 2.9092 2.9248 2.9248 2.9319 3.0643 3.0643 3.0656 3.0672 3.0929 3.0929 3.3712 3.3712 3.4276 3.4290 3.4290 3.4375 4.1272 4.1272 4.2838 4.3174 4.3174 4.3464 4.3565 4.3565 4.4297 4.4482 4.4482 4.4610 4.6744 4.6744 4.7082 4.7799 4.7801 4.7801 4.8522 4.8522 4.9296 4.9529 4.9529 4.9631 6.4206 6.4206 6.4618 6.4743 6.4918 6.4918 8.5256 8.5359 8.5359 8.5637 9.1099 9.1099 9.2486 9.2486 9.2893 9.3021 10.4135 10.4135 10.5641 10.5882 k = 0.4490 0.4490 0.4490 ( 6818 PWs) bands (ev): -48.4658 -48.4658 -26.0961 -26.0961 -24.0154 -24.0154 -24.0154 -24.0154 -6.3162 -6.3162 -6.2709 -6.2709 -6.2503 -6.2495 -6.2381 -6.2381 1.4644 1.4644 1.5181 1.5365 1.5431 1.5431 2.0776 2.0776 2.9196 2.9323 2.9323 2.9384 3.0692 3.0692 3.0693 3.0701 3.0918 3.0918 3.3824 3.3824 3.4235 3.4235 3.4238 3.4317 4.1274 4.1274 4.2978 4.3200 4.3200 4.3546 4.3553 4.3553 4.4329 4.4467 4.4467 4.4579 4.6780 4.6780 4.7111 4.7747 4.7747 4.7748 4.8458 4.8458 4.9206 4.9407 4.9407 4.9481 6.4439 6.4439 6.4894 6.5000 6.5117 6.5117 8.5380 8.5481 8.5481 8.5715 9.1200 9.1200 9.2336 9.2336 9.2692 9.2808 10.4317 10.4317 10.5337 10.5543 k = 0.4592 0.4592 0.4592 ( 6818 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.3062 -6.3062 -6.2728 -6.2728 -6.2522 -6.2516 -6.2425 -6.2425 1.4594 1.4594 1.5172 1.5320 1.5343 1.5343 2.0668 2.0668 2.9289 2.9387 2.9387 2.9437 3.0721 3.0723 3.0727 3.0727 3.0917 3.0917 3.3917 3.3917 3.4191 3.4191 3.4207 3.4269 4.1274 4.1274 4.3116 4.3220 4.3220 4.3548 4.3548 4.3606 4.4357 4.4455 4.4455 4.4545 4.6828 4.6828 4.7153 4.7675 4.7675 4.7693 4.8425 4.8425 4.9129 4.9291 4.9291 4.9345 6.4635 6.4635 6.5132 6.5220 6.5287 6.5287 8.5504 8.5599 8.5599 8.5787 9.1247 9.1247 9.2211 9.2211 9.2493 9.2594 10.4479 10.4479 10.5105 10.5274 k = 0.4694 0.4694 0.4694 ( 6818 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2975 -6.2975 -6.2742 -6.2742 -6.2537 -6.2532 -6.2468 -6.2468 1.4552 1.4552 1.5168 1.5276 1.5276 1.5279 2.0582 2.0582 2.9368 2.9438 2.9438 2.9478 3.0739 3.0741 3.0747 3.0747 3.0923 3.0923 3.3986 3.3986 3.4163 3.4163 3.4184 3.4230 4.1272 4.1272 4.3233 4.3233 4.3247 4.3549 4.3549 4.3640 4.4380 4.4446 4.4446 4.4511 4.6884 4.6884 4.7207 4.7593 4.7593 4.7633 4.8416 4.8416 4.9070 4.9188 4.9188 4.9228 6.4790 6.4790 6.5329 6.5395 6.5425 6.5425 8.5622 8.5705 8.5705 8.5844 9.1240 9.1240 9.2130 9.2130 9.2315 9.2397 10.4613 10.4613 10.4938 10.5071 k = 0.4796 0.4796 0.4796 ( 6818 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2905 -6.2905 -6.2750 -6.2750 -6.2547 -6.2544 -6.2508 -6.2508 1.4520 1.4520 1.5169 1.5229 1.5229 1.5243 2.0520 2.0520 2.9432 2.9475 2.9475 2.9504 3.0751 3.0753 3.0756 3.0756 3.0933 3.0933 3.4023 3.4023 3.4155 3.4155 3.4170 3.4200 4.1269 4.1269 4.3241 4.3241 4.3367 4.3552 4.3552 4.3643 4.4399 4.4439 4.4439 4.4480 4.6943 4.6943 4.7272 4.7511 4.7511 4.7566 4.8423 4.8423 4.9031 4.9104 4.9104 4.9134 6.4903 6.4903 6.5476 6.5521 6.5527 6.5527 8.5726 8.5790 8.5790 8.5880 9.1199 9.1199 9.2092 9.2092 9.2177 9.2236 10.4713 10.4713 10.4832 10.4931 k = 0.4898 0.4898 0.4898 ( 6812 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2858 -6.2858 -6.2751 -6.2751 -6.2553 -6.2551 -6.2541 -6.2541 1.4500 1.4500 1.5178 1.5202 1.5202 1.5215 2.0482 2.0482 2.9478 2.9497 2.9497 2.9513 3.0758 3.0760 3.0760 3.0760 3.0941 3.0941 3.4035 3.4035 3.4162 3.4162 3.4164 3.4179 4.1268 4.1268 4.3245 4.3245 4.3472 4.3555 4.3555 4.3615 4.4416 4.4435 4.4435 4.4455 4.6993 4.6993 4.7344 4.7446 4.7446 4.7494 4.8434 4.8434 4.9016 4.9047 4.9047 4.9066 6.4970 6.4970 6.5571 6.5590 6.5590 6.5594 8.5810 8.5846 8.5846 8.5889 9.1157 9.1157 9.2078 9.2078 9.2094 9.2125 10.4771 10.4771 10.4782 10.4838 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.4656 -48.4656 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2841 -6.2841 -6.2750 -6.2750 -6.2554 -6.2554 -6.2554 -6.2554 1.4494 1.4494 1.5193 1.5193 1.5193 1.5193 2.0469 2.0469 2.9505 2.9505 2.9505 2.9505 3.0762 3.0762 3.0762 3.0762 3.0944 3.0944 3.4037 3.4037 3.4168 3.4168 3.4168 3.4168 4.1268 4.1268 4.3247 4.3247 4.3557 4.3557 4.3557 4.3557 4.4435 4.4435 4.4435 4.4435 4.7014 4.7014 4.7420 4.7420 4.7420 4.7420 4.8440 4.8440 4.9027 4.9027 4.9027 4.9027 6.4993 6.4993 6.5611 6.5611 6.5611 6.5611 8.5865 8.5865 8.5865 8.5865 9.1140 9.1140 9.2076 9.2076 9.2076 9.2076 10.4784 10.4784 10.4784 10.4784 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.4656 -48.4656 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2841 -6.2841 -6.2750 -6.2750 -6.2554 -6.2554 -6.2554 -6.2554 1.4494 1.4494 1.5193 1.5193 1.5193 1.5193 2.0469 2.0469 2.9505 2.9505 2.9505 2.9505 3.0762 3.0762 3.0762 3.0762 3.0944 3.0944 3.4037 3.4037 3.4168 3.4168 3.4168 3.4168 4.1268 4.1268 4.3247 4.3247 4.3557 4.3557 4.3557 4.3557 4.4435 4.4435 4.4435 4.4435 4.7014 4.7014 4.7420 4.7420 4.7420 4.7420 4.8440 4.8440 4.9027 4.9027 4.9027 4.9027 6.4993 6.4993 6.5611 6.5611 6.5611 6.5611 8.5865 8.5865 8.5865 8.5865 9.1140 9.1140 9.2076 9.2076 9.2076 9.2076 10.4784 10.4784 10.4784 10.4784 k = 0.4875 0.5000 0.4875 ( 6808 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2858 -6.2857 -6.2753 -6.2750 -6.2554 -6.2552 -6.2541 -6.2539 1.4500 1.4500 1.5179 1.5196 1.5206 1.5214 2.0482 2.0482 2.9478 2.9493 2.9502 2.9513 3.0756 3.0757 3.0762 3.0763 3.0940 3.0941 3.4034 3.4036 3.4161 3.4164 3.4164 3.4178 4.1268 4.1268 4.3245 4.3245 4.3475 4.3536 4.3573 4.3614 4.4417 4.4431 4.4440 4.4455 4.6992 4.6993 4.7348 4.7425 4.7463 4.7494 4.8434 4.8434 4.9016 4.9042 4.9051 4.9068 6.4970 6.4970 6.5571 6.5588 6.5589 6.5598 8.5807 8.5840 8.5853 8.5891 9.1156 9.1158 9.2077 9.2083 9.2093 9.2123 10.4768 10.4780 10.4785 10.4827 k = 0.4750 0.5000 0.4750 ( 6820 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2906 -6.2900 -6.2758 -6.2745 -6.2550 -6.2546 -6.2508 -6.2503 1.4520 1.4521 1.5172 1.5218 1.5237 1.5245 2.0520 2.0520 2.9433 2.9465 2.9483 2.9503 3.0738 3.0745 3.0763 3.0768 3.0930 3.0937 3.4020 3.4031 3.4152 3.4156 3.4169 3.4199 4.1269 4.1270 4.3241 4.3241 4.3374 4.3513 4.3581 4.3647 4.4399 4.4431 4.4446 4.4481 4.6937 4.6943 4.7285 4.7469 4.7544 4.7566 4.8422 4.8424 4.9027 4.9095 4.9103 4.9145 6.4901 6.4902 6.5472 6.5509 6.5526 6.5545 8.5703 8.5790 8.5796 8.5898 9.1197 9.1207 9.2092 9.2096 9.2172 9.2231 10.4724 10.4756 10.4811 10.4874 k = 0.4625 0.5000 0.4625 ( 6824 PWs) bands (ev): -48.4659 -48.4659 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2975 -6.2963 -6.2760 -6.2734 -6.2544 -6.2536 -6.2468 -6.2457 1.4551 1.4553 1.5174 1.5256 1.5278 1.5290 2.0582 2.0583 2.9372 2.9424 2.9450 2.9477 3.0705 3.0723 3.0762 3.0774 3.0915 3.0938 3.3980 3.4011 3.4140 3.4163 3.4185 3.4230 4.1271 4.1272 4.3226 4.3233 4.3266 4.3489 4.3573 4.3665 4.4379 4.4435 4.4452 4.4514 4.6869 4.6881 4.7234 4.7533 4.7629 4.7649 4.8414 4.8420 4.9059 4.9178 4.9180 4.9253 6.4785 6.4788 6.5318 6.5374 6.5430 6.5458 8.5560 8.5685 8.5738 8.5890 9.1239 9.1274 9.2112 9.2128 9.2308 9.2394 10.4656 10.4701 10.4871 10.4947 k = 0.4500 0.5000 0.4500 ( 6824 PWs) bands (ev): -48.4659 -48.4659 -26.0962 -26.0962 -24.0155 -24.0155 -24.0154 -24.0154 -6.3057 -6.3041 -6.2761 -6.2720 -6.2536 -6.2520 -6.2424 -6.2406 1.4593 1.4597 1.5186 1.5310 1.5324 1.5356 2.0667 2.0671 2.9295 2.9370 2.9402 2.9437 3.0655 3.0689 3.0754 3.0776 3.0903 3.0950 3.3910 3.3964 3.4142 3.4178 3.4219 3.4273 4.1273 4.1275 4.3121 4.3220 4.3235 4.3466 4.3541 4.3681 4.4357 4.4440 4.4458 4.4550 4.6799 4.6816 4.7196 4.7605 4.7685 4.7763 4.8415 4.8428 4.9110 4.9278 4.9281 4.9380 6.4620 6.4625 6.5116 6.5190 6.5303 6.5339 8.5391 8.5550 8.5670 8.5869 9.1259 9.1343 9.2131 9.2190 9.2490 9.2599 10.4575 10.4630 10.4960 10.5051 k = 0.4375 0.5000 0.4375 ( 6820 PWs) bands (ev): -48.4658 -48.4658 -26.0961 -26.0961 -24.0155 -24.0155 -24.0154 -24.0154 -6.3149 -6.3130 -6.2763 -6.2706 -6.2523 -6.2499 -6.2379 -6.2354 1.4644 1.4648 1.5208 1.5377 1.5382 1.5441 2.0775 2.0781 2.9204 2.9305 2.9342 2.9385 3.0588 3.0641 3.0738 3.0766 3.0903 3.0973 3.3816 3.3889 3.4158 3.4199 3.4270 3.4328 4.1273 4.1277 4.2988 4.3202 4.3222 4.3446 4.3487 4.3699 4.4333 4.4447 4.4464 4.4587 4.6735 4.6752 4.7172 4.7677 4.7730 4.7884 4.8429 4.8454 4.9181 4.9388 4.9407 4.9518 6.4406 6.4415 6.4873 6.4964 6.5149 6.5191 8.5210 8.5399 8.5592 8.5834 9.1241 9.1395 9.2157 9.2277 9.2699 9.2827 10.4490 10.4555 10.5082 10.5188 k = 0.4250 0.5000 0.4250 ( 6824 PWs) bands (ev): -48.4659 -48.4659 -26.0961 -26.0961 -24.0155 -24.0155 -24.0154 -24.0154 -6.3249 -6.3228 -6.2768 -6.2694 -6.2505 -6.2470 -6.2331 -6.2300 1.4700 1.4704 1.5243 1.5439 1.5469 1.5543 2.0902 2.0913 2.9102 2.9229 2.9270 2.9323 3.0506 3.0578 3.0715 3.0741 3.0916 3.1005 3.3702 3.3791 3.4184 3.4225 3.4333 3.4393 4.1270 4.1276 4.2853 4.3177 4.3204 4.3415 4.3432 4.3721 4.4308 4.4454 4.4470 4.4619 4.6679 4.6693 4.7160 4.7748 4.7767 4.8008 4.8455 4.8499 4.9271 4.9500 4.9556 4.9660 6.4147 6.4157 6.4599 6.4704 6.4970 6.5018 8.5029 8.5243 8.5506 8.5788 9.1179 9.1411 9.2192 9.2383 9.2913 9.3058 10.4412 10.4486 10.5243 10.5360 k = 0.4125 0.5000 0.4125 ( 6842 PWs) bands (ev): -48.4660 -48.4660 -26.0961 -26.0961 -24.0154 -24.0154 -24.0153 -24.0153 -6.3356 -6.3334 -6.2777 -6.2689 -6.2479 -6.2435 -6.2281 -6.2244 1.4760 1.4760 1.5295 1.5511 1.5571 1.5662 2.1048 2.1066 2.8991 2.9145 2.9189 2.9252 3.0412 3.0501 3.0684 3.0707 3.0941 3.1043 3.3568 3.3675 3.4219 3.4259 3.4407 3.4467 4.1262 4.1269 4.2719 4.3142 4.3181 4.3334 4.3424 4.3747 4.4283 4.4461 4.4476 4.4647 4.6634 4.6640 4.7161 4.7798 4.7815 4.8130 4.8491 4.8560 4.9378 4.9610 4.9725 4.9800 6.3849 6.3858 6.4302 6.4417 6.4767 6.4821 8.4854 8.5090 8.5413 8.5730 9.1074 9.1380 9.2237 9.2494 9.3114 9.3274 10.4353 10.4434 10.5446 10.5573 k = 0.4000 0.5000 0.4000 ( 6850 PWs) bands (ev): -48.4660 -48.4660 -26.0961 -26.0961 -24.0154 -24.0154 -24.0153 -24.0153 -6.3470 -6.3447 -6.2792 -6.2693 -6.2443 -6.2392 -6.2228 -6.2187 1.4810 1.4821 1.5365 1.5593 1.5689 1.5797 2.1209 2.1235 2.8873 2.9053 2.9100 2.9175 3.0309 3.0412 3.0648 3.0667 3.0972 3.1088 3.3417 3.3541 3.4262 3.4300 3.4491 3.4550 4.1248 4.1255 4.2592 4.3096 4.3152 4.3256 4.3422 4.3777 4.4260 4.4468 4.4481 4.4668 4.6595 4.6604 4.7173 4.7828 4.7878 4.8247 4.8538 4.8635 4.9503 4.9713 4.9903 4.9943 6.3521 6.3526 6.3988 6.4109 6.4542 6.4600 8.4692 8.4948 8.5314 8.5664 9.0926 9.1294 9.2286 9.2600 9.3285 9.3463 10.4320 10.4409 10.5697 10.5831 k = 0.3875 0.5000 0.3875 ( 6862 PWs) bands (ev): -48.4661 -48.4661 -26.0961 -26.0961 -24.0154 -24.0154 -24.0152 -24.0152 -6.3589 -6.3567 -6.2812 -6.2705 -6.2398 -6.2342 -6.2172 -6.2126 1.4851 1.4881 1.5455 1.5685 1.5821 1.5947 2.1384 2.1420 2.8750 2.8955 2.9005 2.9094 3.0200 3.0312 3.0609 3.0624 3.1007 3.1136 3.3251 3.3391 3.4315 3.4350 3.4583 3.4640 4.1225 4.1229 4.2476 4.3034 4.3121 4.3189 4.3424 4.3808 4.4239 4.4474 4.4485 4.4684 4.6560 4.6589 4.7195 4.7860 4.7935 4.8352 4.8596 4.8721 4.9644 4.9805 5.0037 5.0133 6.3172 6.3173 6.3663 6.3785 6.4295 6.4355 8.4546 8.4820 8.5211 8.5589 9.0736 9.1154 9.2327 9.2688 9.3417 9.3615 10.4320 10.4418 10.5999 10.6137 k = 0.3750 0.5000 0.3750 ( 6854 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0154 -24.0154 -24.0152 -24.0152 -6.3714 -6.3692 -6.2838 -6.2727 -6.2345 -6.2286 -6.2112 -6.2063 1.4882 1.4937 1.5562 1.5788 1.5967 1.6111 2.1568 2.1617 2.8623 2.8853 2.8906 2.9010 3.0086 3.0204 3.0567 3.0581 3.1047 3.1188 3.3071 3.3229 3.4377 3.4408 3.4682 3.4736 4.1190 4.1191 4.2375 4.2959 4.3088 4.3139 4.3427 4.3842 4.4223 4.4479 4.4488 4.4694 4.6536 4.6590 4.7228 4.7895 4.7987 4.8437 4.8672 4.8815 4.9797 4.9885 5.0140 5.0350 6.2805 6.2815 6.3331 6.3450 6.4027 6.4088 8.4418 8.4708 8.5106 8.5509 9.0507 9.0963 9.2349 9.2750 9.3504 9.3725 10.4360 10.4467 10.6356 10.6496 k = 0.3625 0.5000 0.3625 ( 6846 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0154 -24.0154 -24.0151 -24.0151 -6.3844 -6.3822 -6.2870 -6.2755 -6.2284 -6.2223 -6.2048 -6.1996 1.4903 1.4986 1.5685 1.5900 1.6127 1.6287 2.1759 2.1823 2.8494 2.8749 2.8804 2.8923 2.9971 3.0090 3.0525 3.0539 3.1089 3.1242 3.2879 3.3056 3.4448 3.4476 3.4787 3.4837 4.1134 4.1146 4.2290 4.2879 4.3054 4.3101 4.3431 4.3876 4.4211 4.4484 4.4490 4.4699 4.6525 4.6609 4.7270 4.7934 4.8032 4.8500 4.8764 4.8912 4.9924 4.9986 5.0221 5.0579 6.2436 6.2456 6.2995 6.3109 6.3738 6.3799 8.4310 8.4614 8.4999 8.5423 9.0242 9.0726 9.2343 9.2777 9.3545 9.3790 10.4441 10.4559 10.6770 10.6910 k = 0.3500 0.5000 0.3500 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0153 -24.0153 -24.0150 -24.0150 -6.3978 -6.3957 -6.2907 -6.2791 -6.2218 -6.2155 -6.1980 -6.1926 1.4915 1.5029 1.5819 1.6021 1.6298 1.6473 2.1954 2.2033 2.8365 2.8642 2.8701 2.8836 2.9857 2.9971 3.0486 3.0500 3.1133 3.1299 3.2676 3.2874 3.4527 3.4554 3.4897 3.4943 4.1063 4.1087 4.2224 4.2801 4.3021 4.3073 4.3433 4.3911 4.4206 4.4488 4.4491 4.4699 4.6525 4.6645 4.7321 4.7977 4.8071 4.8546 4.8866 4.9008 4.9970 5.0158 5.0278 5.0817 6.2072 6.2104 6.2660 6.2767 6.3431 6.3491 8.4220 8.4537 8.4892 8.5333 8.9944 9.0448 9.2301 9.2763 9.3541 9.3812 10.4564 10.4694 10.7241 10.7380 k = 0.3375 0.5000 0.3375 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0959 -26.0959 -24.0153 -24.0153 -24.0149 -24.0149 -6.4116 -6.4096 -6.2949 -6.2833 -6.2147 -6.2081 -6.1909 -6.1854 1.4918 1.5062 1.5961 1.6150 1.6480 1.6667 2.2148 2.2246 2.8237 2.8536 2.8596 2.8750 2.9744 2.9848 3.0452 3.0468 3.1180 3.1358 3.2466 3.2686 3.4616 3.4641 3.5013 3.5053 4.0977 4.1016 4.2173 4.2728 4.2989 4.3053 4.3430 4.3945 4.4209 4.4490 4.4491 4.4694 4.6539 4.6697 4.7382 4.8024 4.8103 4.8579 4.8971 4.9100 4.9986 5.0308 5.0349 5.1061 6.1720 6.1765 6.2329 6.2427 6.3108 6.3165 8.4151 8.4477 8.4784 8.5238 8.9619 9.0134 9.2219 9.2706 9.3497 9.3793 10.4726 10.4869 10.7768 10.7904 k = 0.3250 0.5000 0.3250 ( 6828 PWs) bands (ev): -48.4659 -48.4659 -26.0959 -26.0959 -24.0153 -24.0153 -24.0148 -24.0148 -6.4257 -6.4237 -6.2996 -6.2880 -6.2070 -6.2004 -6.1834 -6.1778 1.4913 1.5085 1.6108 1.6284 1.6671 1.6868 2.2339 2.2456 2.8112 2.8432 2.8494 2.8665 2.9636 2.9725 3.0424 3.0442 3.1230 3.1418 3.2252 3.2496 3.4714 3.4739 3.5134 3.5168 4.0881 4.0933 4.2135 4.2662 4.2958 4.3043 4.3422 4.3978 4.4221 4.4489 4.4493 4.4685 4.6568 4.6764 4.7453 4.8076 4.8129 4.8603 4.9077 4.9185 4.9979 5.0311 5.0550 5.1309 6.1381 6.1442 6.2007 6.2093 6.2775 6.2827 8.4100 8.4434 8.4675 8.5138 8.9275 8.9793 9.2097 9.2604 9.3415 9.3737 10.4924 10.5081 10.8348 10.8481 k = 0.3125 0.5000 0.3125 ( 6834 PWs) bands (ev): -48.4659 -48.4659 -26.0958 -26.0958 -24.0153 -24.0153 -24.0147 -24.0147 -6.4400 -6.4381 -6.3047 -6.2932 -6.1990 -6.1922 -6.1756 -6.1700 1.4898 1.5098 1.6258 1.6421 1.6869 1.7073 2.2524 2.2661 2.7990 2.8331 2.8393 2.8583 2.9532 2.9601 3.0403 3.0422 3.1281 3.1479 3.2038 3.2309 3.4820 3.4846 3.5259 3.5286 4.0777 4.0840 4.2107 4.2601 4.2927 4.3042 4.3407 4.4008 4.4241 4.4486 4.4494 4.4672 4.6609 4.6844 4.7534 4.8132 4.8147 4.8617 4.9179 4.9258 4.9950 5.0285 5.0758 5.1558 6.1057 6.1135 6.1696 6.1767 6.2435 6.2482 8.4068 8.4404 8.4565 8.5033 8.8919 8.9432 9.1935 9.2458 9.3302 9.3647 10.5155 10.5326 10.8974 10.9106 k = 0.3000 0.5000 0.3000 ( 6820 PWs) bands (ev): -48.4659 -48.4659 -26.0958 -26.0958 -24.0152 -24.0152 -24.0146 -24.0146 -6.4544 -6.4527 -6.3101 -6.2988 -6.1906 -6.1837 -6.1675 -6.1620 1.4874 1.5098 1.6408 1.6561 1.7071 1.7280 2.2700 2.2857 2.7873 2.8235 2.8295 2.8503 2.9434 2.9479 3.0389 3.0406 3.1335 3.1539 3.1830 3.2130 3.4935 3.4965 3.5387 3.5407 4.0671 4.0740 4.2085 4.2544 4.2897 4.3050 4.3385 4.4035 4.4270 4.4483 4.4495 4.4658 4.6664 4.6934 4.7625 4.8158 4.8191 4.8622 4.9281 4.9316 4.9907 5.0232 5.0972 5.1810 6.0741 6.0840 6.1398 6.1452 6.2100 6.2142 8.4054 8.4385 8.4450 8.4922 8.8564 8.9060 9.1735 9.2270 9.3162 9.3528 10.5411 10.5597 10.9643 10.9775 k = 0.2875 0.5000 0.2875 ( 6824 PWs) bands (ev): -48.4659 -48.4659 -26.0957 -26.0957 -24.0152 -24.0152 -24.0146 -24.0146 -6.4690 -6.4673 -6.3159 -6.3047 -6.1820 -6.1749 -6.1591 -6.1537 1.4841 1.5086 1.6557 1.6700 1.7275 1.7486 2.2865 2.3042 2.7761 2.8146 2.8202 2.8425 2.9343 2.9361 3.0376 3.0389 3.1390 3.1566 3.1668 3.1967 3.5059 3.5095 3.5520 3.5532 4.0564 4.0635 4.2067 4.2492 4.2867 4.3065 4.3356 4.4058 4.4306 4.4480 4.4497 4.4643 4.6730 4.7031 4.7727 4.8160 4.8254 4.8617 4.9348 4.9380 4.9861 5.0154 5.1189 5.2059 6.0425 6.0545 6.1117 6.1149 6.1781 6.1820 8.4057 8.4329 8.4366 8.4811 8.8219 8.8687 9.1500 9.2045 9.3000 9.3384 10.5689 10.5889 11.0347 11.0481 k = 0.2750 0.5000 0.2750 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0152 -24.0152 -24.0145 -24.0145 -6.4835 -6.4819 -6.3219 -6.3109 -6.1731 -6.1659 -6.1506 -6.1453 1.4797 1.5061 1.6703 1.6837 1.7479 1.7690 2.3018 2.3214 2.7657 2.8065 2.8115 2.8351 2.9247 2.9256 3.0357 3.0362 3.1436 3.1446 3.1689 3.1831 3.5193 3.5236 3.5657 3.5659 4.0458 4.0527 4.2051 4.2443 4.2837 4.3086 4.3320 4.4073 4.4346 4.4478 4.4501 4.4630 4.6805 4.7132 4.7838 4.8151 4.8319 4.8603 4.9338 4.9478 4.9834 5.0053 5.1410 5.2307 6.0097 6.0232 6.0853 6.0865 6.1493 6.1533 8.4076 8.4197 8.4320 8.4716 8.7896 8.8324 9.1233 9.1785 9.2819 9.3219 10.5980 10.6194 11.1077 11.1216 k = 0.2625 0.5000 0.2625 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0151 -24.0151 -24.0144 -24.0144 -6.4980 -6.4965 -6.3281 -6.3174 -6.1641 -6.1567 -6.1419 -6.1368 1.4744 1.5022 1.6843 1.6969 1.7680 1.7889 2.3158 2.3372 2.7560 2.7993 2.8035 2.8281 2.9140 2.9177 3.0314 3.0316 3.1308 3.1504 3.1734 3.1752 3.5336 3.5388 3.5791 3.5798 4.0357 4.0420 4.2036 4.2397 4.2807 4.3111 4.3278 4.4080 4.4385 4.4476 4.4513 4.4623 4.6888 4.7234 4.7956 4.8132 4.8386 4.8579 4.9275 4.9572 4.9845 4.9939 5.1632 5.2552 5.9743 5.9883 6.0607 6.0608 6.1250 6.1294 8.4041 8.4118 8.4208 8.4674 8.7609 8.7983 9.0940 9.1497 9.2624 9.3037 10.6279 10.6508 11.1827 11.1974 k = 0.2500 0.5000 0.2500 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0151 -24.0151 -24.0143 -24.0143 -6.5124 -6.5110 -6.3344 -6.3240 -6.1549 -6.1474 -6.1330 -6.1283 1.4680 1.4969 1.6977 1.7096 1.7877 1.8081 2.3286 2.3517 2.7472 2.7932 2.7962 2.8215 2.9040 2.9103 3.0232 3.0243 3.1237 3.1559 3.1687 3.1818 3.5488 3.5553 3.5927 3.5943 4.0261 4.0313 4.2021 4.2355 4.2777 4.3139 4.3233 4.4074 4.4413 4.4476 4.4539 4.4626 4.6974 4.7335 4.8076 4.8101 4.8453 4.8550 4.9166 4.9637 4.9842 4.9894 5.1854 5.2791 5.9358 5.9488 6.0382 6.0385 6.1057 6.1108 8.3869 8.4017 8.4168 8.4690 8.7366 8.7676 9.0624 9.1186 9.2418 9.2842 10.6581 10.6824 11.2587 11.2745 k = 0.2375 0.5000 0.2375 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0151 -24.0151 -24.0142 -24.0142 -6.5265 -6.5253 -6.3408 -6.3307 -6.1457 -6.1381 -6.1242 -6.1197 1.4607 1.4903 1.7102 1.7214 1.8067 1.8264 2.3403 2.3649 2.7394 2.7881 2.7898 2.8153 2.8948 2.9035 3.0105 3.0140 3.1229 3.1607 3.1695 3.1885 3.5649 3.5728 3.6066 3.6093 4.0171 4.0210 4.2005 4.2315 4.2747 4.3167 4.3184 4.4055 4.4426 4.4478 4.4583 4.4640 4.7059 4.7432 4.8056 4.8194 4.8480 4.8552 4.9031 4.9579 4.9862 4.9973 5.2075 5.3024 5.8942 5.9054 6.0185 6.0188 6.0913 6.0970 8.3667 8.3765 8.4235 8.4743 8.7174 8.7414 9.0290 9.0858 9.2202 9.2636 10.6878 10.7135 11.3349 11.3522 k = 0.2250 0.5000 0.2250 ( 6834 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0150 -24.0150 -24.0141 -24.0141 -6.5404 -6.5393 -6.3472 -6.3375 -6.1364 -6.1288 -6.1153 -6.1111 1.4524 1.4824 1.7218 1.7324 1.8248 1.8438 2.3508 2.3769 2.7325 2.7841 2.7842 2.8097 2.8865 2.8972 2.9948 3.0013 3.1272 3.1656 3.1742 3.1952 3.5819 3.5914 3.6210 3.6247 4.0087 4.0110 4.1987 4.2279 4.2718 4.3133 4.3195 4.4022 4.4427 4.4480 4.4638 4.4665 4.7139 4.7522 4.8001 4.8296 4.8439 4.8617 4.8891 4.9442 4.9964 5.0076 5.2295 5.3249 5.8499 5.8588 6.0010 6.0024 6.0811 6.0873 8.3431 8.3470 8.4316 8.4820 8.7033 8.7203 8.9942 9.0517 9.1979 9.2421 10.7166 10.7437 11.4103 11.4293 k = 0.2125 0.5000 0.2125 ( 6832 PWs) bands (ev): -48.4660 -48.4660 -26.0955 -26.0955 -24.0150 -24.0150 -24.0140 -24.0140 -6.5539 -6.5529 -6.3536 -6.3443 -6.1273 -6.1195 -6.1065 -6.1026 1.4432 1.4732 1.7324 1.7422 1.8419 1.8599 2.3604 2.3878 2.7267 2.7794 2.7813 2.8046 2.8791 2.8915 2.9775 2.9872 3.1349 3.1720 3.1806 3.2018 3.5996 3.6110 3.6359 3.6406 4.0010 4.0014 4.1967 4.2246 4.2690 4.3083 4.3220 4.3978 4.4423 4.4485 4.4699 4.4701 4.7208 4.7591 4.7946 4.8357 4.8386 4.8688 4.8780 4.9297 5.0086 5.0199 5.2511 5.3462 5.8037 5.8101 5.9861 5.9889 6.0743 6.0810 8.3142 8.3163 8.4410 8.4914 8.6938 8.7049 8.9587 9.0170 9.1751 9.2199 10.7439 10.7723 11.4839 11.5050 k = 0.2000 0.5000 0.2000 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0150 -24.0150 -24.0139 -24.0139 -6.5671 -6.5661 -6.3599 -6.3510 -6.1182 -6.1105 -6.0978 -6.0943 1.4333 1.4630 1.7419 1.7510 1.8578 1.8748 2.3691 2.3977 2.7219 2.7753 2.7794 2.8001 2.8726 2.8863 2.9598 2.9724 3.1445 3.1794 3.1880 3.2084 3.6181 3.6313 3.6512 3.6571 3.9924 3.9941 4.1945 4.2216 4.2664 4.3035 4.3241 4.3926 4.4413 4.4492 4.4744 4.4759 4.7259 4.7609 4.7917 4.8326 4.8327 4.8752 4.8754 4.9167 5.0220 5.0340 5.2723 5.3662 5.7562 5.7599 5.9739 5.9784 6.0703 6.0774 8.2793 8.2866 8.4517 8.5023 8.6884 8.6949 8.9227 8.9822 9.1519 9.1973 10.7692 10.7989 11.5546 11.5782 k = 0.1875 0.5000 0.1875 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0954 -26.0954 -24.0149 -24.0149 -24.0138 -24.0138 -6.5798 -6.5789 -6.3661 -6.3576 -6.1094 -6.1016 -6.0892 -6.0861 1.4228 1.4518 1.7501 1.7586 1.8725 1.8883 2.3770 2.4066 2.7181 2.7718 2.7786 2.7965 2.8670 2.8817 2.9427 2.9578 3.1552 3.1872 3.1961 3.2149 3.6371 3.6521 3.6672 3.6742 3.9839 3.9877 4.1919 4.2190 4.2644 4.2990 4.3259 4.3868 4.4400 4.4502 4.4792 4.4817 4.7285 4.7550 4.7926 4.8229 4.8263 4.8788 4.8810 4.9087 5.0363 5.0494 5.2926 5.3845 5.7081 5.7089 5.9645 5.9708 6.0684 6.0758 8.2433 8.2548 8.4636 8.5143 8.6862 8.6899 8.8868 8.9480 9.1284 9.1743 10.7920 10.8230 11.6212 11.6477 k = 0.1750 0.5000 0.1750 ( 6852 PWs) bands (ev): -48.4661 -48.4661 -26.0954 -26.0954 -24.0149 -24.0149 -24.0137 -24.0137 -6.5919 -6.5912 -6.3721 -6.3640 -6.1007 -6.0931 -6.0809 -6.0781 1.4118 1.4399 1.7572 1.7650 1.8859 1.9004 2.3842 2.4145 2.7153 2.7687 2.7786 2.7937 2.8623 2.8775 2.9267 2.9438 3.1664 3.1949 3.2047 3.2211 3.6564 3.6729 3.6837 3.6922 3.9760 3.9820 4.1892 4.2166 4.2629 4.2948 4.3272 4.3808 4.4383 4.4515 4.4840 4.4872 4.7282 4.7437 4.7885 4.8185 4.8186 4.8775 4.8899 4.9093 5.0512 5.0656 5.3120 5.4008 5.6576 5.6598 5.9582 5.9666 6.0682 6.0758 8.2070 8.2215 8.4766 8.5274 8.6863 8.6892 8.8515 8.9149 9.1048 9.1510 10.8119 10.8441 11.6827 11.7123 k = 0.1625 0.5000 0.1625 ( 6852 PWs) bands (ev): -48.4661 -48.4661 -26.0953 -26.0953 -24.0149 -24.0149 -24.0136 -24.0136 -6.6035 -6.6028 -6.3778 -6.3703 -6.0924 -6.0848 -6.0728 -6.0705 1.4005 1.4274 1.7632 1.7704 1.8980 1.9112 2.3906 2.4215 2.7134 2.7658 2.7795 2.7919 2.8585 2.8740 2.9122 2.9308 3.1775 3.2023 3.2135 3.2272 3.6757 3.6934 3.7010 3.7113 3.9686 3.9769 4.1864 4.2146 4.2622 4.2913 4.3280 4.3749 4.4361 4.4531 4.4888 4.4920 4.7250 4.7296 4.7746 4.8082 4.8246 4.8757 4.9000 4.9159 5.0666 5.0819 5.3300 5.4146 5.6064 5.6119 5.9551 5.9656 6.0692 6.0770 8.1712 8.1878 8.4906 8.5412 8.6876 8.6918 8.8173 8.8839 9.0812 9.1276 10.8286 10.8619 11.7375 11.7707 k = 0.1500 0.5000 0.1500 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0953 -26.0953 -24.0149 -24.0149 -24.0135 -24.0135 -6.6145 -6.6139 -6.3833 -6.3762 -6.0844 -6.0770 -6.0651 -6.0631 1.3891 1.4146 1.7681 1.7746 1.9088 1.9207 2.3964 2.4273 2.7122 2.7629 2.7809 2.7911 2.8556 2.8709 2.8995 2.9192 3.1883 3.2094 3.2221 3.2330 3.6949 3.7130 3.7189 3.7314 3.9618 3.9721 4.1837 4.2130 4.2624 4.2882 4.3283 4.3693 4.4334 4.4550 4.4931 4.4962 4.7141 4.7191 4.7568 4.7950 4.8347 4.8774 4.9107 4.9248 5.0821 5.0980 5.3461 5.4258 5.5557 5.5648 5.9554 5.9681 6.0713 6.0791 8.1365 8.1542 8.5056 8.5555 8.6891 8.6963 8.7856 8.8561 9.0577 9.1042 10.8418 10.8760 11.7843 11.8217 k = 0.1375 0.5000 0.1375 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0148 -24.0148 -24.0135 -24.0135 -6.6247 -6.6242 -6.3884 -6.3819 -6.0767 -6.0696 -6.0578 -6.0561 1.3778 1.4017 1.7720 1.7779 1.9182 1.9288 2.4014 2.4321 2.7118 2.7600 2.7829 2.7910 2.8535 2.8684 2.8888 2.9091 3.1986 3.2162 3.2302 3.2384 3.7137 3.7317 3.7375 3.7522 3.9553 3.9676 4.1815 4.2116 4.2634 4.2858 4.3280 4.3642 4.4301 4.4573 4.4968 4.4996 4.6977 4.7112 4.7376 4.7795 4.8464 4.8827 4.9220 4.9348 5.0974 5.1132 5.3600 5.4339 5.5061 5.5190 5.9591 5.9738 6.0740 6.0818 8.1033 8.1214 8.5213 8.5698 8.6892 8.6994 8.7592 8.8331 9.0344 9.0806 10.8513 10.8862 11.8200 11.8640 k = 0.1250 0.5000 0.1250 ( 6838 PWs) bands (ev): -48.4660 -48.4660 -26.0952 -26.0952 -24.0148 -24.0148 -24.0134 -24.0134 -6.6343 -6.6338 -6.3933 -6.3873 -6.0696 -6.0628 -6.0509 -6.0495 1.3668 1.3889 1.7750 1.7802 1.9264 1.9358 2.4057 2.4356 2.7120 2.7571 2.7852 2.7917 2.8522 2.8664 2.8802 2.9006 3.2082 3.2227 3.2377 3.2434 3.7321 3.7496 3.7565 3.7731 3.9493 3.9631 4.1802 4.2106 4.2654 4.2841 4.3273 4.3597 4.4261 4.4598 4.4995 4.5024 4.6812 4.7020 4.7177 4.7625 4.8590 4.8910 4.9337 4.9455 5.1123 5.1272 5.3711 5.4383 5.4586 5.4750 5.9662 5.9826 6.0771 6.0850 8.0720 8.0899 8.5377 8.5834 8.6870 8.6928 8.7463 8.8163 9.0113 9.0572 10.8570 10.8922 11.8334 11.8705 k = 0.1125 0.5000 0.1125 ( 6822 PWs) bands (ev): -48.4659 -48.4659 -26.0952 -26.0952 -24.0148 -24.0148 -24.0133 -24.0133 -6.6430 -6.6426 -6.3977 -6.3922 -6.0629 -6.0565 -6.0444 -6.0433 1.3563 1.3764 1.7773 1.7819 1.9335 1.9416 2.4093 2.4380 2.7127 2.7542 2.7877 2.7928 2.8516 2.8648 2.8736 2.8936 3.2171 3.2289 3.2443 3.2480 3.7500 3.7669 3.7756 3.7936 3.9435 3.9585 4.1800 4.2099 4.2682 4.2832 4.3262 4.3560 4.4214 4.4625 4.5012 4.5047 4.6652 4.6920 4.6975 4.7445 4.8724 4.9015 4.9459 4.9567 5.1265 5.1398 5.3787 5.4101 5.4338 5.4424 5.9763 5.9938 6.0807 6.0885 8.0430 8.0602 8.5544 8.5944 8.6737 8.6828 8.7496 8.8067 8.9886 9.0338 10.8592 10.8941 11.8024 11.8098 k = 0.1000 0.5000 0.1000 ( 6810 PWs) bands (ev): -48.4659 -48.4659 -26.0951 -26.0951 -24.0148 -24.0147 -24.0133 -24.0133 -6.6510 -6.6506 -6.4017 -6.3968 -6.0567 -6.0508 -6.0385 -6.0377 1.3464 1.3645 1.7789 1.7829 1.9395 1.9465 2.4123 2.4392 2.7138 2.7513 2.7902 2.7941 2.8517 2.8637 2.8691 2.8880 3.2251 3.2347 3.2500 3.2522 3.7674 3.7835 3.7944 3.8131 3.9380 3.9535 4.1812 4.2095 4.2718 4.2832 4.3248 4.3531 4.4160 4.4652 4.5017 4.5065 4.6499 4.6774 4.6817 4.7258 4.8864 4.9134 4.9581 4.9683 5.1396 5.1507 5.3663 5.3771 5.4015 5.4414 5.9889 6.0067 6.0844 6.0922 8.0166 8.0326 8.5707 8.6001 8.6516 8.6802 8.7601 8.8033 8.9665 9.0105 10.8579 10.8920 11.7535 11.7545 k = 0.0875 0.5000 0.0875 ( 6822 PWs) bands (ev): -48.4659 -48.4659 -26.0951 -26.0951 -24.0147 -24.0147 -24.0132 -24.0132 -6.6580 -6.6577 -6.4053 -6.4010 -6.0511 -6.0458 -6.0332 -6.0325 1.3373 1.3534 1.7800 1.7834 1.9445 1.9504 2.4147 2.4394 2.7153 2.7485 2.7925 2.7955 2.8523 2.8629 2.8663 2.8838 3.2323 3.2400 3.2547 3.2558 3.7842 3.7993 3.8125 3.8312 3.9325 3.9479 4.1838 4.2093 4.2761 4.2843 4.3232 4.3506 4.4100 4.4668 4.5014 4.5081 4.6358 4.6581 4.6715 4.7066 4.9010 4.9263 4.9702 4.9800 5.1511 5.1596 5.3251 5.3502 5.3948 5.4382 6.0033 6.0204 6.0884 6.0961 7.9928 8.0074 8.5838 8.5976 8.6336 8.6837 8.7730 8.8037 8.9452 8.9874 10.8538 10.8862 11.7034 11.7082 k = 0.0750 0.5000 0.0750 ( 6828 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0132 -24.0132 -6.6642 -6.6640 -6.4084 -6.4047 -6.0461 -6.0415 -6.0285 -6.0280 1.3293 1.3431 1.7807 1.7836 1.9487 1.9536 2.4167 2.4387 2.7170 2.7457 2.7946 2.7968 2.8533 2.8624 2.8649 2.8806 3.2387 3.2449 3.2586 3.2588 3.8005 3.8143 3.8296 3.8475 3.9269 3.9416 4.1878 4.2095 4.2809 4.2867 4.3218 4.3484 4.4037 4.4661 4.5018 4.5098 4.6224 4.6410 4.6615 4.6872 4.9161 4.9398 4.9817 4.9917 5.1606 5.1664 5.2876 5.3178 5.3948 5.4332 6.0184 6.0339 6.0925 6.1003 7.9720 7.9849 8.5852 8.5881 8.6299 8.6937 8.7865 8.8059 8.9252 8.9645 10.8476 10.8774 11.6603 11.6669 k = 0.0625 0.5000 0.0625 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6695 -6.6693 -6.4110 -6.4079 -6.0418 -6.0378 -6.0245 -6.0241 1.3224 1.3340 1.7811 1.7835 1.9520 1.9560 2.4184 2.4373 2.7189 2.7430 2.7964 2.7979 2.8546 2.8625 2.8645 2.8782 3.2443 3.2492 3.2613 3.2615 3.8163 3.8284 3.8453 3.8616 3.9211 3.9345 4.1926 4.2098 4.2864 4.2907 4.3205 4.3463 4.3975 4.4611 4.5045 4.5116 4.6086 4.6283 4.6518 4.6679 4.9318 4.9533 4.9920 5.0029 5.1669 5.1705 5.2555 5.2885 5.3944 5.4268 6.0331 6.0462 6.0969 6.1048 7.9542 7.9653 8.5738 8.5755 8.6418 8.7074 8.7998 8.8078 8.9070 8.9420 10.8403 10.8666 11.6247 11.6319 k = 0.0500 0.5000 0.0500 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6739 -6.6737 -6.4131 -6.4106 -6.0381 -6.0349 -6.0212 -6.0209 1.3168 1.3261 1.7813 1.7832 1.9547 1.9578 2.4200 2.4354 2.7210 2.7404 2.7979 2.7989 2.8561 2.8627 2.8648 2.8763 3.2491 3.2528 3.2633 3.2636 3.8313 3.8415 3.8592 3.8732 3.9151 3.9265 4.1978 4.2104 4.2926 4.2960 4.3194 4.3438 4.3921 4.4515 4.5099 4.5139 4.5942 4.6207 4.6413 4.6502 4.9480 4.9666 5.0006 5.0128 5.1678 5.1713 5.2320 5.2639 5.3935 5.4197 6.0463 6.0563 6.1017 6.1093 7.9397 7.9487 8.5604 8.5628 8.6590 8.7221 8.8084 8.8122 8.8916 8.9199 10.8328 10.8549 11.5965 11.6033 k = 0.0375 0.5000 0.0375 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6773 -6.6772 -6.4146 -6.4128 -6.0351 -6.0327 -6.0185 -6.0183 1.3126 1.3196 1.7815 1.7829 1.9568 1.9591 2.4215 2.4333 2.7232 2.7378 2.7990 2.7996 2.8576 2.8627 2.8659 2.8748 3.2531 3.2558 3.2647 3.2650 3.8457 3.8535 3.8710 3.8821 3.9086 3.9177 4.2026 4.2109 4.2994 4.3025 4.3185 4.3407 4.3884 4.4387 4.5168 4.5174 4.5813 4.6171 4.6259 4.6386 4.9646 4.9791 5.0068 5.0202 5.1610 5.1682 5.2202 5.2454 5.3926 5.4124 6.0569 6.0639 6.1068 6.1137 7.9286 7.9354 8.5490 8.5516 8.6774 8.7350 8.8078 8.8231 8.8795 8.8988 10.8263 10.8435 11.5754 11.5812 k = 0.0250 0.5000 0.0250 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0951 -26.0951 -24.0147 -24.0147 -24.0131 -24.0131 -6.6797 -6.6797 -6.4157 -6.4144 -6.0329 -6.0312 -6.0166 -6.0165 1.3099 1.3146 1.7816 1.7825 1.9583 1.9598 2.4231 2.4310 2.7255 2.7352 2.7998 2.8001 2.8590 2.8625 2.8674 2.8735 3.2562 3.2581 3.2655 3.2658 3.8592 3.8645 3.8803 3.8879 3.9018 3.9081 4.2064 4.2113 4.3056 4.3104 4.3176 4.3369 4.3874 4.4244 4.5204 4.5251 4.5723 4.6083 4.6163 4.6311 4.9812 4.9903 5.0101 5.0233 5.1511 5.1612 5.2176 5.2333 5.3924 5.4058 6.0646 6.0688 6.1118 6.1171 7.9209 7.9255 8.5407 8.5428 8.6959 8.7422 8.8091 8.8315 8.8708 8.8793 10.8218 10.8335 11.5612 11.5653 k = 0.0125 0.5000 0.0125 ( 6844 PWs) bands (ev): -48.4660 -48.4660 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6812 -6.6812 -6.4162 -6.4156 -6.0313 -6.0305 -6.0154 -6.0154 1.3087 1.3110 1.7817 1.7822 1.9594 1.9601 2.4248 2.4288 2.7279 2.7327 2.8002 2.8004 2.8602 2.8620 2.8690 2.8721 3.2584 3.2593 3.2660 3.2661 3.8715 3.8740 3.8868 3.8907 3.8947 3.8982 4.2092 4.2113 4.3105 4.3163 4.3186 4.3320 4.3905 4.4102 4.5245 4.5294 4.5706 4.5917 4.6177 4.6253 4.9969 4.9995 5.0102 5.0204 5.1453 5.1528 5.2190 5.2261 5.3934 5.4001 6.0693 6.0712 6.1160 6.1188 7.9167 7.9190 8.5359 8.5370 8.7135 8.7397 8.8162 8.8347 8.8646 8.8647 10.8199 10.8259 11.5533 11.5554 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -48.4661 -48.4661 -26.0950 -26.0950 -24.0147 -24.0147 -24.0130 -24.0130 -6.6817 -6.6817 -6.4162 -6.4162 -6.0306 -6.0306 -6.0150 -6.0150 1.3091 1.3091 1.7819 1.7819 1.9600 1.9600 2.4267 2.4267 2.7303 2.7303 2.8004 2.8004 2.8612 2.8612 2.8706 2.8706 3.2595 3.2595 3.2661 3.2661 3.8793 3.8793 3.8902 3.8902 3.8907 3.8907 4.2107 4.2107 4.3141 4.3141 4.3260 4.3260 4.3984 4.3984 4.5283 4.5283 4.5781 4.5781 4.6208 4.6208 5.0055 5.0055 5.0117 5.0117 5.1464 5.1464 5.2218 5.2218 5.3959 5.3959 6.0714 6.0714 6.1185 6.1185 7.9161 7.9161 8.5347 8.5347 8.7289 8.7289 8.8276 8.8276 8.8610 8.8610 10.8213 10.8213 11.5514 11.5514 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -48.4661 -48.4661 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4207 -6.4207 -6.2866 -6.2866 -6.2640 -6.2640 -6.1675 -6.1675 1.6192 1.6192 1.7379 1.7379 1.8100 1.8100 2.7066 2.7066 2.7866 2.7866 2.8260 2.8260 2.8714 2.8714 2.8819 2.8819 2.9288 2.9288 3.2380 3.2380 3.4152 3.4152 3.4400 3.4400 4.0262 4.0262 4.2780 4.2780 4.2785 4.2785 4.3591 4.3591 4.4468 4.4468 4.4783 4.4783 4.5405 4.5405 4.8994 4.8994 4.9732 4.9732 4.9914 4.9914 5.0162 5.0162 5.0800 5.0800 5.7036 5.7036 5.7307 5.7307 6.3420 6.3420 8.4124 8.4124 8.5282 8.5282 8.7294 8.7294 9.1517 9.1517 9.2143 9.2143 11.3097 11.3097 11.3130 11.3130 k = 0.5000 0.5000 0.0179 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4204 -6.4204 -6.2866 -6.2866 -6.2640 -6.2640 -6.1676 -6.1676 1.6188 1.6188 1.7370 1.7370 1.8089 1.8089 2.7012 2.7012 2.7859 2.7859 2.8264 2.8264 2.8720 2.8720 2.8783 2.8783 2.9387 2.9387 3.2378 3.2378 3.4153 3.4153 3.4400 3.4400 4.0268 4.0268 4.2777 4.2777 4.2784 4.2784 4.3597 4.3597 4.4465 4.4465 4.4779 4.4779 4.5408 4.5408 4.8987 4.8987 4.9734 4.9734 4.9908 4.9908 5.0173 5.0173 5.0801 5.0801 5.7056 5.7056 5.7324 5.7324 6.3426 6.3426 8.4055 8.4055 8.5371 8.5371 8.7291 8.7291 9.1525 9.1525 9.2152 9.2152 11.3066 11.3066 11.3098 11.3098 k = 0.5000 0.5000 0.0357 ( 6832 PWs) bands (ev): -48.4659 -48.4659 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4196 -6.4196 -6.2865 -6.2865 -6.2639 -6.2639 -6.1679 -6.1679 1.6178 1.6178 1.7342 1.7342 1.8057 1.8057 2.6856 2.6856 2.7848 2.7848 2.8273 2.8273 2.8733 2.8733 2.8740 2.8740 2.9611 2.9611 3.2368 3.2368 3.4156 3.4156 3.4401 3.4401 4.0288 4.0288 4.2755 4.2755 4.2789 4.2789 4.3612 4.3612 4.4455 4.4455 4.4768 4.4768 4.5414 4.5414 4.8964 4.8964 4.9733 4.9733 4.9897 4.9897 5.0198 5.0198 5.0803 5.0803 5.7113 5.7113 5.7375 5.7375 6.3445 6.3445 8.3893 8.3893 8.5592 8.5592 8.7283 8.7283 9.1547 9.1547 9.2177 9.2177 11.2970 11.2970 11.3001 11.3001 k = 0.5000 0.5000 0.0536 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0956 -26.0956 -24.0155 -24.0155 -24.0139 -24.0139 -6.4182 -6.4182 -6.2863 -6.2863 -6.2638 -6.2638 -6.1685 -6.1685 1.6160 1.6160 1.7297 1.7297 1.8005 1.8005 2.6616 2.6616 2.7844 2.7844 2.8286 2.8286 2.8716 2.8716 2.8768 2.8768 2.9887 2.9887 3.2351 3.2351 3.4160 3.4160 3.4401 3.4401 4.0319 4.0319 4.2719 4.2719 4.2797 4.2797 4.3634 4.3634 4.4437 4.4437 4.4752 4.4752 4.5423 4.5423 4.8928 4.8928 4.9718 4.9718 4.9896 4.9896 5.0226 5.0226 5.0807 5.0807 5.7208 5.7208 5.7460 5.7460 6.3475 6.3475 8.3697 8.3697 8.5884 8.5884 8.7269 8.7269 9.1582 9.1582 9.2218 9.2218 11.2811 11.2811 11.2840 11.2840 k = 0.5000 0.5000 0.0714 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0155 -24.0155 -24.0139 -24.0139 -6.4163 -6.4163 -6.2861 -6.2861 -6.2636 -6.2636 -6.1694 -6.1694 1.6135 1.6135 1.7234 1.7234 1.7933 1.7933 2.6320 2.6320 2.7851 2.7851 2.8303 2.8303 2.8728 2.8728 2.8810 2.8810 3.0185 3.0185 3.2328 3.2328 3.4166 3.4166 3.4401 3.4401 4.0362 4.0362 4.2674 4.2674 4.2809 4.2809 4.3663 4.3663 4.4410 4.4410 4.4735 4.4735 4.5436 4.5436 4.8882 4.8882 4.9685 4.9685 4.9910 4.9910 5.0250 5.0250 5.0814 5.0814 5.7343 5.7343 5.7581 5.7581 6.3518 6.3518 8.3500 8.3500 8.6212 8.6212 8.7255 8.7255 9.1631 9.1631 9.2274 9.2274 11.2590 11.2590 11.2619 11.2619 k = 0.5000 0.5000 0.0893 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0155 -24.0155 -24.0140 -24.0140 -6.4139 -6.4139 -6.2858 -6.2858 -6.2633 -6.2633 -6.1704 -6.1704 1.6103 1.6103 1.7156 1.7156 1.7843 1.7843 2.5989 2.5989 2.7870 2.7870 2.8324 2.8324 2.8764 2.8764 2.8863 2.8863 3.0490 3.0490 3.2299 3.2299 3.4174 3.4174 3.4401 3.4401 4.0415 4.0415 4.2622 4.2622 4.2824 4.2824 4.3695 4.3695 4.4375 4.4375 4.4719 4.4719 4.5452 4.5452 4.8828 4.8828 4.9638 4.9638 4.9930 4.9930 5.0263 5.0263 5.0823 5.0823 5.7518 5.7518 5.7740 5.7740 6.3571 6.3571 8.3316 8.3316 8.6550 8.6550 8.7253 8.7253 9.1692 9.1692 9.2344 9.2344 11.2309 11.2309 11.2341 11.2341 k = 0.5000 0.5000 0.1071 ( 6852 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0155 -24.0155 -24.0140 -24.0140 -6.4110 -6.4110 -6.2854 -6.2854 -6.2631 -6.2631 -6.1718 -6.1718 1.6064 1.6064 1.7064 1.7064 1.7736 1.7736 2.5638 2.5638 2.7898 2.7898 2.8349 2.8349 2.8819 2.8819 2.8928 2.8928 3.0793 3.0793 3.2264 3.2264 3.4182 3.4182 3.4401 3.4401 4.0480 4.0480 4.2566 4.2566 4.2841 4.2841 4.3729 4.3729 4.4332 4.4332 4.4706 4.4706 4.5471 4.5471 4.8768 4.8768 4.9581 4.9581 4.9949 4.9949 5.0263 5.0263 5.0834 5.0834 5.7734 5.7734 5.7936 5.7936 6.3635 6.3635 8.3152 8.3152 8.6838 8.6838 8.7313 8.7313 9.1762 9.1762 9.2424 9.2424 11.1971 11.1971 11.2011 11.2011 k = 0.5000 0.5000 0.1250 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0957 -26.0957 -24.0155 -24.0155 -24.0141 -24.0141 -6.4076 -6.4076 -6.2850 -6.2850 -6.2627 -6.2627 -6.1733 -6.1733 1.6018 1.6018 1.6960 1.6960 1.7616 1.7616 2.5276 2.5276 2.7935 2.7935 2.8378 2.8378 2.8888 2.8888 2.9003 2.9003 3.1089 3.1089 3.2224 3.2224 3.4191 3.4191 3.4400 3.4400 4.0553 4.0553 4.2508 4.2508 4.2862 4.2862 4.3764 4.3764 4.4283 4.4283 4.4696 4.4696 4.5495 4.5495 4.8703 4.8703 4.9515 4.9515 4.9959 4.9959 5.0246 5.0246 5.0845 5.0845 5.7990 5.7990 5.8170 5.8170 6.3709 6.3709 8.3013 8.3013 8.6959 8.6959 8.7551 8.7551 9.1840 9.1840 9.2513 9.2513 11.1581 11.1581 11.1633 11.1633 k = 0.5000 0.5000 0.1429 ( 6832 PWs) bands (ev): -48.4659 -48.4659 -26.0957 -26.0957 -24.0155 -24.0155 -24.0142 -24.0142 -6.4037 -6.4037 -6.2846 -6.2846 -6.2624 -6.2624 -6.1752 -6.1752 1.5964 1.5964 1.6845 1.6845 1.7483 1.7483 2.4910 2.4910 2.7980 2.7980 2.8413 2.8413 2.8969 2.8969 2.9088 2.9088 3.1374 3.1374 3.2181 3.2181 3.4200 3.4200 3.4399 3.4399 4.0633 4.0633 4.2452 4.2452 4.2884 4.2884 4.3799 4.3799 4.4231 4.4231 4.4690 4.4690 4.5524 4.5524 4.8635 4.8635 4.9440 4.9440 4.9959 4.9959 5.0213 5.0213 5.0854 5.0854 5.8284 5.8284 5.8443 5.8443 6.3791 6.3791 8.2902 8.2902 8.6957 8.6957 8.7918 8.7918 9.1923 9.1923 9.2607 9.2607 11.1147 11.1147 11.1213 11.1213 k = 0.5000 0.5000 0.1607 ( 6840 PWs) bands (ev): -48.4660 -48.4660 -26.0958 -26.0958 -24.0155 -24.0155 -24.0142 -24.0142 -6.3994 -6.3994 -6.2841 -6.2841 -6.2620 -6.2620 -6.1773 -6.1773 1.5904 1.5904 1.6722 1.6722 1.7340 1.7340 2.4545 2.4545 2.8032 2.8032 2.8453 2.8453 2.9060 2.9060 2.9181 2.9181 3.1640 3.1640 3.2139 3.2139 3.4208 3.4208 3.4396 3.4396 4.0719 4.0719 4.2399 4.2399 4.2908 4.2908 4.3833 4.3833 4.4176 4.4176 4.4685 4.4685 4.5559 4.5559 4.8564 4.8564 4.9356 4.9356 4.9945 4.9945 5.0161 5.0161 5.0859 5.0859 5.8616 5.8616 5.8753 5.8753 6.3882 6.3882 8.2821 8.2821 8.6917 8.6917 8.8325 8.8325 9.2009 9.2009 9.2703 9.2703 11.0676 11.0676 11.0758 11.0758 k = 0.5000 0.5000 0.1786 ( 6836 PWs) bands (ev): -48.4660 -48.4660 -26.0958 -26.0958 -24.0155 -24.0155 -24.0143 -24.0143 -6.3946 -6.3946 -6.2835 -6.2835 -6.2616 -6.2616 -6.1796 -6.1796 1.5836 1.5836 1.6593 1.6593 1.7190 1.7190 2.4184 2.4184 2.8091 2.8091 2.8498 2.8498 2.9160 2.9160 2.9282 2.9282 3.1863 3.1863 3.2121 3.2121 3.4216 3.4216 3.4392 3.4392 4.0808 4.0808 4.2353 4.2353 4.2934 4.2934 4.3866 4.3866 4.4123 4.4123 4.4683 4.4683 4.5599 4.5599 4.8490 4.8490 4.9262 4.9262 4.9919 4.9919 5.0091 5.0091 5.0857 5.0857 5.8980 5.8980 5.9100 5.9100 6.3979 6.3979 8.2773 8.2773 8.6861 8.6861 8.8746 8.8746 9.2093 9.2093 9.2798 9.2798 11.0176 11.0176 11.0277 11.0277 k = 0.5000 0.5000 0.1964 ( 6828 PWs) bands (ev): -48.4659 -48.4659 -26.0958 -26.0958 -24.0155 -24.0155 -24.0144 -24.0144 -6.3895 -6.3895 -6.2830 -6.2830 -6.2611 -6.2611 -6.1822 -6.1822 1.5761 1.5761 1.6461 1.6461 1.7034 1.7034 2.3830 2.3830 2.8158 2.8158 2.8548 2.8548 2.9266 2.9266 2.9390 2.9390 3.1935 3.1935 3.2234 3.2234 3.4223 3.4223 3.4387 3.4387 4.0899 4.0899 4.2315 4.2315 4.2961 4.2961 4.3898 4.3898 4.4072 4.4072 4.4682 4.4682 4.5645 4.5645 4.8416 4.8416 4.9159 4.9159 4.9881 4.9881 5.0004 5.0004 5.0844 5.0844 5.9371 5.9371 5.9482 5.9482 6.4082 6.4082 8.2758 8.2758 8.6798 8.6798 8.9171 8.9171 9.2173 9.2173 9.2886 9.2886 10.9658 10.9658 10.9777 10.9777 k = 0.5000 0.5000 0.2143 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0959 -26.0959 -24.0155 -24.0155 -24.0145 -24.0145 -6.3840 -6.3840 -6.2824 -6.2824 -6.2607 -6.2607 -6.1851 -6.1851 1.5680 1.5680 1.6329 1.6329 1.6875 1.6875 2.3485 2.3485 2.8232 2.8232 2.8603 2.8603 2.9378 2.9378 2.9502 2.9502 3.1894 3.1894 3.2440 3.2440 3.4227 3.4227 3.4379 3.4379 4.0986 4.0986 4.2289 4.2289 4.2987 4.2987 4.3923 4.3923 4.4029 4.4029 4.4682 4.4682 4.5698 4.5698 4.8338 4.8338 4.9048 4.9048 4.9831 4.9831 4.9903 4.9903 5.0819 5.0819 5.9785 5.9785 5.9897 5.9897 6.4189 6.4189 8.2779 8.2779 8.6729 8.6729 8.9591 8.9591 9.2246 9.2246 9.2965 9.2965 10.9131 10.9131 10.9268 10.9268 k = 0.5000 0.5000 0.2321 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0959 -26.0959 -24.0155 -24.0155 -24.0146 -24.0146 -6.3781 -6.3781 -6.2818 -6.2818 -6.2602 -6.2602 -6.1882 -6.1882 1.5592 1.5592 1.6197 1.6197 1.6715 1.6715 2.3152 2.3152 2.8312 2.8312 2.8663 2.8663 2.9494 2.9494 2.9618 2.9618 3.1830 3.1830 3.2650 3.2650 3.4230 3.4230 3.4371 3.4371 4.1067 4.1067 4.2280 4.2280 4.3015 4.3015 4.3928 4.3928 4.4011 4.4011 4.4681 4.4681 4.5758 4.5758 4.8261 4.8261 4.8932 4.8932 4.9759 4.9759 4.9801 4.9801 5.0779 5.0779 6.0216 6.0216 6.0340 6.0340 6.4299 6.4299 8.2836 8.2836 8.6657 8.6657 9.0000 9.0000 9.2309 9.2309 9.3029 9.3029 10.8605 10.8605 10.8759 10.8759 k = 0.5000 0.5000 0.2500 ( 6860 PWs) bands (ev): -48.4661 -48.4661 -26.0959 -26.0959 -24.0155 -24.0155 -24.0147 -24.0147 -6.3719 -6.3719 -6.2812 -6.2812 -6.2597 -6.2597 -6.1916 -6.1916 1.5499 1.5499 1.6070 1.6070 1.6556 1.6556 2.2833 2.2833 2.8399 2.8399 2.8726 2.8726 2.9613 2.9613 2.9737 2.9737 3.1758 3.1758 3.2847 3.2847 3.4231 3.4231 3.4360 3.4360 4.1138 4.1138 4.2290 4.2290 4.3042 4.3042 4.3903 4.3903 4.4026 4.4026 4.4681 4.4681 4.5823 4.5823 4.8181 4.8181 4.8812 4.8812 4.9641 4.9641 4.9727 4.9727 5.0723 5.0723 6.0659 6.0659 6.0804 6.0804 6.4411 6.4411 8.2928 8.2928 8.6582 8.6582 9.0389 9.0389 9.2359 9.2359 9.3075 9.3075 10.8089 10.8089 10.8259 10.8259 k = 0.5000 0.5000 0.2679 ( 6852 PWs) bands (ev): -48.4660 -48.4660 -26.0959 -26.0959 -24.0155 -24.0155 -24.0148 -24.0148 -6.3655 -6.3655 -6.2806 -6.2806 -6.2592 -6.2592 -6.1953 -6.1953 1.5401 1.5401 1.5948 1.5948 1.6400 1.6400 2.2528 2.2528 2.8491 2.8491 2.8794 2.8794 2.9734 2.9734 2.9856 2.9856 3.1681 3.1681 3.3031 3.3031 3.4229 3.4229 3.4348 3.4348 4.1197 4.1197 4.2321 4.2321 4.3068 4.3068 4.3868 4.3868 4.4056 4.4056 4.4679 4.4679 4.5896 4.5896 4.8100 4.8100 4.8691 4.8691 4.9504 4.9504 4.9659 4.9659 5.0650 5.0650 6.1113 6.1113 6.1284 6.1284 6.4524 6.4524 8.3056 8.3056 8.6507 8.6507 9.0748 9.0748 9.2395 9.2395 9.3099 9.3099 10.7592 10.7592 10.7777 10.7777 k = 0.5000 0.5000 0.2857 ( 6868 PWs) bands (ev): -48.4661 -48.4661 -26.0960 -26.0960 -24.0155 -24.0155 -24.0149 -24.0149 -6.3588 -6.3588 -6.2800 -6.2800 -6.2588 -6.2588 -6.1992 -6.1992 1.5300 1.5300 1.5833 1.5833 1.6248 1.6248 2.2240 2.2240 2.8587 2.8587 2.8865 2.8865 2.9855 2.9855 2.9975 2.9975 3.1600 3.1600 3.3199 3.3199 3.4225 3.4225 3.4334 3.4334 4.1239 4.1239 4.2375 4.2375 4.3093 4.3093 4.3835 4.3835 4.4090 4.4090 4.4675 4.4675 4.5974 4.5974 4.8018 4.8018 4.8570 4.8570 4.9359 4.9359 4.9588 4.9588 5.0559 5.0559 6.1570 6.1570 6.1771 6.1771 6.4637 6.4637 8.3218 8.3218 8.6431 8.6431 9.1067 9.1067 9.2418 9.2418 9.3098 9.3098 10.7123 10.7123 10.7321 10.7321 k = 0.5000 0.5000 0.3036 ( 6852 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0155 -24.0155 -24.0150 -24.0150 -6.3520 -6.3520 -6.2794 -6.2794 -6.2583 -6.2583 -6.2035 -6.2035 1.5197 1.5197 1.5726 1.5726 1.6102 1.6102 2.1970 2.1970 2.8686 2.8686 2.8939 2.8939 2.9975 2.9975 3.0092 3.0092 3.1518 3.1518 3.3351 3.3351 3.4218 3.4218 3.4318 3.4318 4.1268 4.1268 4.2450 4.2450 4.3117 4.3117 4.3805 4.3805 4.4126 4.4126 4.4670 4.4670 4.6058 4.6058 4.7934 4.7934 4.8454 4.8454 4.9211 4.9211 4.9517 4.9517 5.0451 5.0451 6.2026 6.2026 6.2258 6.2258 6.4747 6.4747 8.3413 8.3413 8.6357 8.6357 9.1330 9.1330 9.2431 9.2431 9.3071 9.3071 10.6688 10.6688 10.6896 10.6896 k = 0.5000 0.5000 0.3214 ( 6856 PWs) bands (ev): -48.4660 -48.4660 -26.0960 -26.0960 -24.0155 -24.0155 -24.0151 -24.0151 -6.3449 -6.3449 -6.2788 -6.2788 -6.2579 -6.2579 -6.2079 -6.2079 1.5094 1.5094 1.5628 1.5628 1.5963 1.5963 2.1719 2.1719 2.8786 2.8786 2.9014 2.9014 3.0092 3.0092 3.0206 3.0206 3.1434 3.1434 3.3488 3.3488 3.4209 3.4209 3.4301 3.4301 4.1285 4.1285 4.2543 4.2543 4.3139 4.3139 4.3779 4.3779 4.4162 4.4162 4.4661 4.4661 4.6147 4.6147 4.7850 4.7850 4.8343 4.8343 4.9063 4.9063 4.9447 4.9447 5.0328 5.0328 6.2475 6.2475 6.2738 6.2738 6.4855 6.4855 8.3637 8.3637 8.6285 8.6285 9.1525 9.1525 9.2441 9.2441 9.3017 9.3017 10.6291 10.6291 10.6509 10.6509 k = 0.5000 0.5000 0.3393 ( 6848 PWs) bands (ev): -48.4660 -48.4660 -26.0961 -26.0961 -24.0155 -24.0155 -24.0151 -24.0151 -6.3378 -6.3378 -6.2783 -6.2783 -6.2574 -6.2574 -6.2126 -6.2126 1.4994 1.4994 1.5539 1.5539 1.5834 1.5834 2.1489 2.1489 2.8886 2.8886 2.9091 2.9091 3.0204 3.0204 3.0316 3.0316 3.1349 3.1349 3.3609 3.3609 3.4199 3.4199 3.4284 3.4284 4.1292 4.1292 4.2649 4.2649 4.3160 4.3160 4.3756 4.3756 4.4199 4.4199 4.4649 4.4649 4.6241 4.6241 4.7766 4.7766 4.8238 4.8238 4.8920 4.8920 4.9377 4.9377 5.0190 5.0190 6.2909 6.2909 6.3205 6.3205 6.4960 6.4960 8.3886 8.3886 8.6217 8.6217 9.1638 9.1638 9.2453 9.2453 9.2938 9.2938 10.5936 10.5936 10.6163 10.6163 k = 0.5000 0.5000 0.3571 ( 6836 PWs) bands (ev): -48.4659 -48.4659 -26.0961 -26.0961 -24.0155 -24.0155 -24.0152 -24.0152 -6.3306 -6.3306 -6.2778 -6.2778 -6.2570 -6.2570 -6.2176 -6.2176 1.4899 1.4899 1.5459 1.5459 1.5714 1.5714 2.1280 2.1280 2.8984 2.8984 2.9167 2.9167 3.0310 3.0310 3.0420 3.0420 3.1266 3.1266 3.3716 3.3716 3.4186 3.4186 3.4266 3.4266 4.1294 4.1294 4.2764 4.2764 4.3178 4.3178 4.3737 4.3737 4.4236 4.4236 4.4632 4.4632 4.6340 4.6340 4.7684 4.7684 4.8140 4.8140 4.8786 4.8786 4.9311 4.9311 5.0041 5.0041 6.3320 6.3320 6.3650 6.3650 6.5060 6.5060 8.4156 8.4156 8.6152 8.6152 9.1672 9.1672 9.2463 9.2463 9.2838 9.2838 10.5625 10.5625 10.5860 10.5860 k = 0.5000 0.5000 0.3750 ( 6828 PWs) bands (ev): -48.4659 -48.4659 -26.0961 -26.0961 -24.0155 -24.0155 -24.0153 -24.0153 -6.3233 -6.3233 -6.2773 -6.2773 -6.2567 -6.2567 -6.2228 -6.2228 1.4810 1.4810 1.5389 1.5389 1.5605 1.5605 2.1093 2.1093 2.9079 2.9079 2.9240 2.9240 3.0408 3.0408 3.0516 3.0516 3.1185 3.1185 3.3808 3.3808 3.4173 3.4173 3.4248 3.4248 4.1291 4.1291 4.2883 4.2883 4.3195 4.3195 4.3720 4.3720 4.4272 4.4272 4.4612 4.4612 4.6442 4.6442 4.7606 4.7606 4.8045 4.8045 4.8667 4.8667 4.9248 4.9248 4.9884 4.9884 6.3702 6.3702 6.4067 6.4067 6.5155 6.5155 8.4439 8.4439 8.6093 8.6093 9.1643 9.1643 9.2457 9.2457 9.2724 9.2724 10.5361 10.5361 10.5599 10.5599 k = 0.5000 0.5000 0.3929 ( 6820 PWs) bands (ev): -48.4658 -48.4658 -26.0961 -26.0961 -24.0155 -24.0155 -24.0153 -24.0153 -6.3161 -6.3161 -6.2769 -6.2769 -6.2564 -6.2564 -6.2282 -6.2282 1.4730 1.4730 1.5328 1.5328 1.5508 1.5508 2.0930 2.0930 2.9169 2.9169 2.9310 2.9310 3.0497 3.0497 3.0603 3.0603 3.1109 3.1109 3.3884 3.3884 3.4161 3.4161 3.4231 3.4231 4.1287 4.1287 4.3002 4.3002 4.3209 4.3209 4.3705 4.3705 4.4306 4.4306 4.4587 4.4587 4.6545 4.6545 4.7535 4.7535 4.7952 4.7952 4.8568 4.8568 4.9191 4.9191 4.9723 4.9723 6.4046 6.4046 6.4447 6.4447 6.5246 6.5246 8.4727 8.4727 8.6039 8.6039 9.1573 9.1573 9.2424 9.2424 9.2602 9.2602 10.5150 10.5150 10.5379 10.5379 k = 0.5000 0.5000 0.4107 ( 6804 PWs) bands (ev): -48.4658 -48.4658 -26.0961 -26.0961 -24.0155 -24.0155 -24.0154 -24.0154 -6.3090 -6.3090 -6.2765 -6.2765 -6.2561 -6.2561 -6.2337 -6.2337 1.4660 1.4660 1.5278 1.5278 1.5423 1.5423 2.0791 2.0791 2.9253 2.9253 2.9372 2.9372 3.0575 3.0575 3.0676 3.0676 3.1040 3.1040 3.3946 3.3946 3.4150 3.4150 3.4215 3.4215 4.1282 4.1282 4.3119 4.3119 4.3222 4.3222 4.3691 4.3691 4.4338 4.4338 4.4559 4.4559 4.6650 4.6650 4.7473 4.7473 4.7858 4.7858 4.8495 4.8495 4.9140 4.9140 4.9562 4.9562 6.4343 6.4343 6.4784 6.4784 6.5332 6.5332 8.5011 8.5011 8.5993 8.5993 9.1481 9.1481 9.2360 9.2360 9.2480 9.2480 10.4992 10.4992 10.5190 10.5190 k = 0.5000 0.5000 0.4286 ( 6816 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0154 -24.0154 -6.3021 -6.3021 -6.2762 -6.2762 -6.2558 -6.2558 -6.2393 -6.2393 1.4602 1.4602 1.5238 1.5238 1.5350 1.5350 2.0676 2.0676 2.9328 2.9328 2.9426 2.9426 3.0640 3.0640 3.0733 3.0733 3.0984 3.0984 3.3990 3.3990 3.4145 3.4145 3.4200 3.4200 4.1277 4.1277 4.3218 4.3218 4.3243 4.3243 4.3676 4.3676 4.4365 4.4365 4.4529 4.4529 4.6751 4.6751 4.7423 4.7423 4.7762 4.7762 4.8448 4.8448 4.9096 4.9096 4.9408 4.9408 6.4586 6.4586 6.5071 6.5071 6.5414 6.5414 8.5275 8.5275 8.5954 8.5954 9.1381 9.1381 9.2277 9.2277 9.2364 9.2364 10.4884 10.4884 10.5047 10.5047 k = 0.5000 0.5000 0.4464 ( 6816 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2957 -6.2957 -6.2758 -6.2758 -6.2557 -6.2557 -6.2447 -6.2447 1.4555 1.4555 1.5209 1.5209 1.5291 1.5291 2.0586 2.0586 2.9393 2.9393 2.9468 2.9468 3.0693 3.0693 3.0766 3.0766 3.0948 3.0948 3.4018 3.4018 3.4146 3.4146 3.4188 3.4188 4.1273 4.1273 4.3236 4.3236 4.3334 4.3334 4.3658 4.3658 4.4388 4.4388 4.4499 4.4499 4.6848 4.6848 4.7388 4.7388 4.7665 4.7665 4.8427 4.8427 4.9062 4.9062 4.9267 4.9267 6.4771 6.4771 6.5301 6.5301 6.5490 6.5490 8.5508 8.5508 8.5923 8.5923 9.1287 9.1287 9.2193 9.2193 9.2258 9.2258 10.4818 10.4818 10.4943 10.4943 k = 0.5000 0.5000 0.4643 ( 6816 PWs) bands (ev): -48.4658 -48.4658 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2899 -6.2899 -6.2755 -6.2755 -6.2555 -6.2555 -6.2498 -6.2498 1.4521 1.4521 1.5191 1.5191 1.5245 1.5245 2.0521 2.0521 2.9446 2.9446 2.9496 2.9496 3.0730 3.0730 3.0772 3.0772 3.0937 3.0937 3.4031 3.4031 3.4153 3.4153 3.4179 3.4179 4.1270 4.1270 4.3242 4.3242 4.3423 4.3423 4.3634 4.3634 4.4407 4.4407 4.4471 4.4471 4.6931 4.6931 4.7372 4.7372 4.7571 4.7571 4.8426 4.8426 4.9037 4.9037 4.9149 4.9149 6.4897 6.4897 6.5470 6.5470 6.5554 6.5554 8.5691 8.5691 8.5899 8.5899 9.1210 9.1210 9.2124 9.2124 9.2168 9.2168 10.4784 10.4784 10.4867 10.4867 k = 0.5000 0.5000 0.4821 ( 6800 PWs) bands (ev): -48.4657 -48.4657 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2857 -6.2857 -6.2752 -6.2752 -6.2555 -6.2555 -6.2538 -6.2538 1.4501 1.4501 1.5186 1.5186 1.5212 1.5212 2.0482 2.0482 2.9483 2.9483 2.9509 2.9509 3.0754 3.0754 3.0766 3.0766 3.0941 3.0941 3.4036 3.4036 3.4161 3.4161 3.4173 3.4173 4.1268 4.1268 4.3245 4.3245 4.3498 4.3498 4.3601 4.3601 4.4422 4.4422 4.4450 4.4450 4.6991 4.6991 4.7380 4.7380 4.7486 4.7486 4.8434 4.8434 4.9023 4.9023 4.9066 4.9066 6.4970 6.4970 6.5573 6.5573 6.5598 6.5598 8.5811 8.5811 8.5883 8.5883 9.1158 9.1158 9.2083 9.2083 9.2105 9.2105 10.4774 10.4774 10.4815 10.4815 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.4656 -48.4656 -26.0962 -26.0962 -24.0155 -24.0155 -24.0155 -24.0155 -6.2841 -6.2841 -6.2750 -6.2750 -6.2554 -6.2554 -6.2554 -6.2554 1.4494 1.4494 1.5193 1.5193 1.5193 1.5193 2.0469 2.0469 2.9505 2.9505 2.9505 2.9505 3.0762 3.0762 3.0762 3.0762 3.0944 3.0944 3.4037 3.4037 3.4168 3.4168 3.4168 3.4168 4.1268 4.1268 4.3247 4.3247 4.3557 4.3557 4.3557 4.3557 4.4435 4.4435 4.4435 4.4435 4.7014 4.7014 4.7420 4.7420 4.7420 4.7420 4.8440 4.8440 4.9027 4.9027 4.9027 4.9027 6.4993 6.4993 6.5611 6.5611 6.5611 6.5611 8.5865 8.5865 8.5865 8.5865 9.1140 9.1140 9.2076 9.2076 9.2076 9.2076 10.4784 10.4784 10.4784 10.4784 Writing output data file NbCu3Se4.save init_run : 3.34s CPU 13.02s WALL ( 1 calls) electrons : 1175.35s CPU 1187.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1175.32s CPU 1187.22s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.88s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.59s WALL ( 1 calls) newd : 0.55s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.22s WALL ( 219 calls) cegterg : 1123.80s CPU 1133.36s WALL ( 588 calls) Called by sum_band: Called by *egterg: h_psi : 334.42s CPU 341.71s WALL ( 10285 calls) s_psi : 42.81s CPU 43.29s WALL ( 10285 calls) g_psi : 1.19s CPU 1.13s WALL ( 9478 calls) cdiaghg : 562.67s CPU 561.51s WALL ( 9697 calls) cegterg:over : 104.84s CPU 102.62s WALL ( 9478 calls) cegterg:upda : 33.43s CPU 35.60s WALL ( 9478 calls) cegterg:last : 23.82s CPU 24.19s WALL ( 1301 calls) Called by h_psi: h_psi:vloc : 245.72s CPU 251.11s WALL ( 10285 calls) h_psi:vnl : 88.08s CPU 89.37s WALL ( 10285 calls) add_vuspsi : 32.59s CPU 36.04s WALL ( 10285 calls) General routines calbec : 55.45s CPU 53.21s WALL ( 10285 calls) fft : 0.51s CPU 1.17s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 232.47s CPU 235.77s WALL ( 1314296 calls) interpolate : 0.04s CPU 0.21s WALL ( 4 calls) davcio : 0.02s CPU 1.98s WALL ( 438 calls) Parallel routines fft_scatter : 161.80s CPU 163.26s WALL ( 1314319 calls) PWSCF : 20m46.98s CPU 22m59.72s WALL This run was terminated on: 13: 7:29 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=