Program PWSCF v.5.1.1 starts on 3Nov2015 at 3:29:27 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 1852 1128 172 Max 51 37 11 1855 1140 179 Sum 2409 1741 497 88951 54435 8385 bravais-lattice index = 14 lattice parameter (alat) = 10.6543 a.u. unit-cell volume = 1209.4049 (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)= 10.654275 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: 88951 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 54435 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 288, 84) NL pseudopotentials 0.36 Mb ( 144, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1854) G-vector shells 0.00 Mb ( 464) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.48 Mb ( 288, 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 55.5 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.1 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 90.4 secs Computing kpt #: 7 total cpu time spent up to now is 97.1 secs Computing kpt #: 8 total cpu time spent up to now is 103.4 secs Computing kpt #: 9 total cpu time spent up to now is 109.7 secs Computing kpt #: 10 total cpu time spent up to now is 115.4 secs Computing kpt #: 11 total cpu time spent up to now is 121.2 secs Computing kpt #: 12 total cpu time spent up to now is 127.0 secs Computing kpt #: 13 total cpu time spent up to now is 132.4 secs Computing kpt #: 14 total cpu time spent up to now is 137.6 secs Computing kpt #: 15 total cpu time spent up to now is 142.9 secs Computing kpt #: 16 total cpu time spent up to now is 147.9 secs Computing kpt #: 17 total cpu time spent up to now is 152.7 secs Computing kpt #: 18 total cpu time spent up to now is 157.5 secs Computing kpt #: 19 total cpu time spent up to now is 162.2 secs Computing kpt #: 20 total cpu time spent up to now is 167.0 secs Computing kpt #: 21 total cpu time spent up to now is 171.8 secs Computing kpt #: 22 total cpu time spent up to now is 176.8 secs Computing kpt #: 23 total cpu time spent up to now is 181.5 secs Computing kpt #: 24 total cpu time spent up to now is 186.1 secs Computing kpt #: 25 total cpu time spent up to now is 190.7 secs Computing kpt #: 26 total cpu time spent up to now is 195.4 secs Computing kpt #: 27 total cpu time spent up to now is 200.1 secs Computing kpt #: 28 total cpu time spent up to now is 204.7 secs Computing kpt #: 29 total cpu time spent up to now is 209.3 secs Computing kpt #: 30 total cpu time spent up to now is 214.0 secs Computing kpt #: 31 total cpu time spent up to now is 218.8 secs Computing kpt #: 32 total cpu time spent up to now is 223.5 secs Computing kpt #: 33 total cpu time spent up to now is 228.6 secs Computing kpt #: 34 total cpu time spent up to now is 233.5 secs Computing kpt #: 35 total cpu time spent up to now is 238.4 secs Computing kpt #: 36 total cpu time spent up to now is 243.2 secs Computing kpt #: 37 total cpu time spent up to now is 248.1 secs Computing kpt #: 38 total cpu time spent up to now is 253.1 secs Computing kpt #: 39 total cpu time spent up to now is 258.0 secs Computing kpt #: 40 total cpu time spent up to now is 263.0 secs Computing kpt #: 41 total cpu time spent up to now is 267.9 secs Computing kpt #: 42 total cpu time spent up to now is 273.1 secs Computing kpt #: 43 total cpu time spent up to now is 278.1 secs Computing kpt #: 44 total cpu time spent up to now is 283.0 secs Computing kpt #: 45 total cpu time spent up to now is 287.5 secs Computing kpt #: 46 total cpu time spent up to now is 291.9 secs Computing kpt #: 47 total cpu time spent up to now is 296.2 secs Computing kpt #: 48 total cpu time spent up to now is 300.5 secs Computing kpt #: 49 total cpu time spent up to now is 304.6 secs Computing kpt #: 50 total cpu time spent up to now is 309.9 secs Computing kpt #: 51 total cpu time spent up to now is 315.0 secs Computing kpt #: 52 total cpu time spent up to now is 319.1 secs Computing kpt #: 53 total cpu time spent up to now is 323.4 secs Computing kpt #: 54 total cpu time spent up to now is 327.7 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 336.2 secs Computing kpt #: 57 total cpu time spent up to now is 340.8 secs Computing kpt #: 58 total cpu time spent up to now is 344.7 secs Computing kpt #: 59 total cpu time spent up to now is 348.6 secs Computing kpt #: 60 total cpu time spent up to now is 352.7 secs Computing kpt #: 61 total cpu time spent up to now is 357.0 secs Computing kpt #: 62 total cpu time spent up to now is 361.1 secs Computing kpt #: 63 total cpu time spent up to now is 365.3 secs Computing kpt #: 64 total cpu time spent up to now is 369.4 secs Computing kpt #: 65 total cpu time spent up to now is 373.7 secs Computing kpt #: 66 total cpu time spent up to now is 377.9 secs Computing kpt #: 67 total cpu time spent up to now is 382.1 secs Computing kpt #: 68 total cpu time spent up to now is 386.5 secs Computing kpt #: 69 total cpu time spent up to now is 391.1 secs Computing kpt #: 70 total cpu time spent up to now is 396.0 secs Computing kpt #: 71 total cpu time spent up to now is 401.3 secs Computing kpt #: 72 total cpu time spent up to now is 406.5 secs Computing kpt #: 73 total cpu time spent up to now is 411.7 secs Computing kpt #: 74 total cpu time spent up to now is 416.8 secs Computing kpt #: 75 total cpu time spent up to now is 421.9 secs Computing kpt #: 76 total cpu time spent up to now is 427.2 secs Computing kpt #: 77 total cpu time spent up to now is 432.4 secs Computing kpt #: 78 total cpu time spent up to now is 437.7 secs Computing kpt #: 79 total cpu time spent up to now is 442.8 secs Computing kpt #: 80 total cpu time spent up to now is 448.0 secs Computing kpt #: 81 total cpu time spent up to now is 453.4 secs Computing kpt #: 82 total cpu time spent up to now is 458.6 secs Computing kpt #: 83 total cpu time spent up to now is 464.0 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.2 secs Computing kpt #: 85 total cpu time spent up to now is 482.2 secs Computing kpt #: 86 total cpu time spent up to now is 489.3 secs Computing kpt #: 87 total cpu time spent up to now is 496.3 secs Computing kpt #: 88 total cpu time spent up to now is 504.9 secs Computing kpt #: 89 total cpu time spent up to now is 511.7 secs Computing kpt #: 90 total cpu time spent up to now is 520.4 secs Computing kpt #: 91 total cpu time spent up to now is 529.1 secs Computing kpt #: 92 total cpu time spent up to now is 538.2 secs Computing kpt #: 93 total cpu time spent up to now is 547.7 secs Computing kpt #: 94 total cpu time spent up to now is 557.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.4 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.7 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.8 secs Computing kpt #: 99 total cpu time spent up to now is 602.4 secs Computing kpt #: 100 total cpu time spent up to now is 607.8 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.2 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 639.1 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 648.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.6 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.8 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.0 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 748.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 757.9 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 767.6 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 777.3 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 786.9 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 796.8 secs Computing kpt #: 120 total cpu time spent up to now is 802.8 secs Computing kpt #: 121 total cpu time spent up to now is 807.9 secs Computing kpt #: 122 total cpu time spent up to now is 812.9 secs Computing kpt #: 123 total cpu time spent up to now is 817.7 secs Computing kpt #: 124 total cpu time spent up to now is 822.3 secs Computing kpt #: 125 total cpu time spent up to now is 827.2 secs Computing kpt #: 126 total cpu time spent up to now is 831.6 secs Computing kpt #: 127 total cpu time spent up to now is 836.2 secs Computing kpt #: 128 total cpu time spent up to now is 840.9 secs Computing kpt #: 129 total cpu time spent up to now is 845.3 secs Computing kpt #: 130 total cpu time spent up to now is 849.9 secs Computing kpt #: 131 total cpu time spent up to now is 854.8 secs Computing kpt #: 132 total cpu time spent up to now is 859.2 secs Computing kpt #: 133 total cpu time spent up to now is 863.5 secs Computing kpt #: 134 total cpu time spent up to now is 868.0 secs Computing kpt #: 135 total cpu time spent up to now is 873.0 secs Computing kpt #: 136 total cpu time spent up to now is 877.4 secs Computing kpt #: 137 total cpu time spent up to now is 881.7 secs Computing kpt #: 138 total cpu time spent up to now is 886.2 secs Computing kpt #: 139 total cpu time spent up to now is 890.4 secs Computing kpt #: 140 total cpu time spent up to now is 894.8 secs Computing kpt #: 141 total cpu time spent up to now is 899.0 secs Computing kpt #: 142 total cpu time spent up to now is 903.3 secs Computing kpt #: 143 total cpu time spent up to now is 908.4 secs Computing kpt #: 144 total cpu time spent up to now is 912.9 secs Computing kpt #: 145 total cpu time spent up to now is 917.3 secs Computing kpt #: 146 total cpu time spent up to now is 921.6 secs Computing kpt #: 147 total cpu time spent up to now is 926.0 secs Computing kpt #: 148 total cpu time spent up to now is 930.4 secs Computing kpt #: 149 total cpu time spent up to now is 934.7 secs Computing kpt #: 150 total cpu time spent up to now is 939.0 secs Computing kpt #: 151 total cpu time spent up to now is 943.7 secs Computing kpt #: 152 total cpu time spent up to now is 948.1 secs Computing kpt #: 153 total cpu time spent up to now is 952.5 secs Computing kpt #: 154 total cpu time spent up to now is 956.9 secs Computing kpt #: 155 total cpu time spent up to now is 961.2 secs Computing kpt #: 156 total cpu time spent up to now is 965.5 secs Computing kpt #: 157 total cpu time spent up to now is 969.7 secs Computing kpt #: 158 total cpu time spent up to now is 973.9 secs Computing kpt #: 159 total cpu time spent up to now is 978.5 secs Computing kpt #: 160 total cpu time spent up to now is 982.7 secs Computing kpt #: 161 total cpu time spent up to now is 986.8 secs Computing kpt #: 162 total cpu time spent up to now is 990.7 secs Computing kpt #: 163 total cpu time spent up to now is 994.8 secs Computing kpt #: 164 total cpu time spent up to now is 998.9 secs Computing kpt #: 165 total cpu time spent up to now is 1003.0 secs Computing kpt #: 166 total cpu time spent up to now is 1007.2 secs Computing kpt #: 167 total cpu time spent up to now is 1011.2 secs Computing kpt #: 168 total cpu time spent up to now is 1015.3 secs Computing kpt #: 169 total cpu time spent up to now is 1019.4 secs Computing kpt #: 170 total cpu time spent up to now is 1023.6 secs Computing kpt #: 171 total cpu time spent up to now is 1027.7 secs Computing kpt #: 172 total cpu time spent up to now is 1031.9 secs Computing kpt #: 173 total cpu time spent up to now is 1036.3 secs Computing kpt #: 174 total cpu time spent up to now is 1040.6 secs Computing kpt #: 175 total cpu time spent up to now is 1045.0 secs Computing kpt #: 176 total cpu time spent up to now is 1049.3 secs Computing kpt #: 177 total cpu time spent up to now is 1053.9 secs Computing kpt #: 178 total cpu time spent up to now is 1058.4 secs Computing kpt #: 179 total cpu time spent up to now is 1063.2 secs Computing kpt #: 180 total cpu time spent up to now is 1068.2 secs Computing kpt #: 181 total cpu time spent up to now is 1073.2 secs Computing kpt #: 182 total cpu time spent up to now is 1078.1 secs Computing kpt #: 183 total cpu time spent up to now is 1083.3 secs Computing kpt #: 184 total cpu time spent up to now is 1088.1 secs Computing kpt #: 185 total cpu time spent up to now is 1092.9 secs Computing kpt #: 186 total cpu time spent up to now is 1097.7 secs Computing kpt #: 187 total cpu time spent up to now is 1102.4 secs Computing kpt #: 188 total cpu time spent up to now is 1107.2 secs Computing kpt #: 189 total cpu time spent up to now is 1111.9 secs Computing kpt #: 190 total cpu time spent up to now is 1116.5 secs Computing kpt #: 191 total cpu time spent up to now is 1120.4 secs Computing kpt #: 192 total cpu time spent up to now is 1124.3 secs Computing kpt #: 193 total cpu time spent up to now is 1128.6 secs Computing kpt #: 194 total cpu time spent up to now is 1132.6 secs Computing kpt #: 195 total cpu time spent up to now is 1136.5 secs Computing kpt #: 196 total cpu time spent up to now is 1140.4 secs Computing kpt #: 197 total cpu time spent up to now is 1144.3 secs Computing kpt #: 198 total cpu time spent up to now is 1148.3 secs Computing kpt #: 199 total cpu time spent up to now is 1152.3 secs Computing kpt #: 200 total cpu time spent up to now is 1156.2 secs Computing kpt #: 201 total cpu time spent up to now is 1160.1 secs Computing kpt #: 202 total cpu time spent up to now is 1164.1 secs Computing kpt #: 203 total cpu time spent up to now is 1168.1 secs Computing kpt #: 204 total cpu time spent up to now is 1172.2 secs Computing kpt #: 205 total cpu time spent up to now is 1176.5 secs Computing kpt #: 206 total cpu time spent up to now is 1180.6 secs Computing kpt #: 207 total cpu time spent up to now is 1185.0 secs Computing kpt #: 208 total cpu time spent up to now is 1189.2 secs Computing kpt #: 209 total cpu time spent up to now is 1193.7 secs Computing kpt #: 210 total cpu time spent up to now is 1198.2 secs Computing kpt #: 211 total cpu time spent up to now is 1202.6 secs Computing kpt #: 212 total cpu time spent up to now is 1207.2 secs Computing kpt #: 213 total cpu time spent up to now is 1213.1 secs Computing kpt #: 214 total cpu time spent up to now is 1217.7 secs Computing kpt #: 215 total cpu time spent up to now is 1222.2 secs Computing kpt #: 216 total cpu time spent up to now is 1226.7 secs Computing kpt #: 217 total cpu time spent up to now is 1231.1 secs Computing kpt #: 218 total cpu time spent up to now is 1235.5 secs Computing kpt #: 219 total cpu time spent up to now is 1239.9 secs ethr = 1.43E-11, avg # of iterations = 43.8 total cpu time spent up to now is 1240.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.3764 -48.3764 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9724 -6.9724 -5.9790 -5.9790 -5.9508 -5.9508 -5.9508 -5.9508 1.0467 1.0467 1.0467 1.0467 1.9039 1.9039 2.7282 2.7282 2.7976 2.7976 2.7976 2.7976 3.3231 3.3231 3.4317 3.4317 3.4317 3.4317 3.8243 3.8243 3.8243 3.8243 3.8752 3.8752 3.8752 3.8752 3.9053 3.9053 4.5212 4.5212 4.5450 4.5450 4.5450 4.5450 4.7369 4.7369 4.7369 4.7369 4.7461 4.7461 5.0391 5.0391 5.1436 5.1436 5.2269 5.2269 5.2269 5.2269 6.2849 6.2849 6.2849 6.2849 6.3064 6.3064 8.4045 8.4045 8.4045 8.4045 8.4321 8.4321 8.6128 8.6128 8.6128 8.6128 8.7152 8.7152 11.9043 11.9043 k = 0.0000 0.0179-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9717 -6.9717 -5.9793 -5.9793 -5.9514 -5.9514 -5.9508 -5.9508 1.0473 1.0473 1.0483 1.0483 1.9048 1.9048 2.7280 2.7280 2.7964 2.7964 2.7983 2.7983 3.3225 3.3225 3.4294 3.4294 3.4324 3.4324 3.8166 3.8166 3.8270 3.8270 3.8753 3.8753 3.8798 3.8798 3.9065 3.9065 4.5198 4.5198 4.5406 4.5406 4.5492 4.5492 4.7354 4.7354 4.7379 4.7379 4.7467 4.7467 5.0393 5.0393 5.1436 5.1436 5.2234 5.2234 5.2297 5.2297 6.2819 6.2819 6.2850 6.2850 6.3050 6.3050 8.4016 8.4016 8.4061 8.4061 8.4329 8.4329 8.5990 8.5990 8.6143 8.6143 8.7384 8.7384 11.9035 11.9036 k = 0.0000 0.0357-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9697 -6.9697 -5.9802 -5.9802 -5.9529 -5.9529 -5.9508 -5.9508 1.0495 1.0495 1.0526 1.0526 1.9075 1.9075 2.7269 2.7269 2.7939 2.7939 2.7994 2.7994 3.3203 3.3203 3.4249 3.4249 3.4318 3.4318 3.8030 3.8030 3.8287 3.8287 3.8761 3.8761 3.8880 3.8880 3.9111 3.9111 4.5150 4.5150 4.5371 4.5371 4.5522 4.5522 4.7336 4.7336 4.7380 4.7380 4.7482 4.7482 5.0401 5.0401 5.1431 5.1431 5.2188 5.2188 5.2316 5.2316 6.2735 6.2735 6.2838 6.2838 6.3016 6.3016 8.3922 8.3922 8.4107 8.4107 8.4354 8.4354 8.5769 8.5769 8.6184 8.6184 8.7889 8.7889 11.9015 11.9015 k = 0.0000 0.0536-0.0000 ( 6803 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9664 -6.9664 -5.9819 -5.9819 -5.9553 -5.9553 -5.9508 -5.9508 1.0533 1.0533 1.0597 1.0597 1.9120 1.9120 2.7247 2.7247 2.7904 2.7904 2.8011 2.8011 3.3163 3.3163 3.4182 3.4182 3.4304 3.4304 3.7861 3.7861 3.8309 3.8309 3.8776 3.8776 3.8939 3.8939 3.9213 3.9213 4.5070 4.5070 4.5347 4.5347 4.5537 4.5537 4.7319 4.7319 4.7375 4.7375 4.7503 4.7503 5.0413 5.0413 5.1423 5.1423 5.2134 5.2134 5.2327 5.2327 6.2585 6.2585 6.2817 6.2817 6.2972 6.2972 8.3758 8.3758 8.4181 8.4181 8.4397 8.4397 8.5618 8.5618 8.6253 8.6253 8.8517 8.8517 11.8983 11.8983 k = 0.0000 0.0714-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9617 -6.9617 -5.9849 -5.9849 -5.9580 -5.9580 -5.9508 -5.9508 1.0586 1.0586 1.0696 1.0696 1.9183 1.9183 2.7208 2.7208 2.7864 2.7864 2.8032 2.8032 3.3104 3.3104 3.4096 3.4096 3.4283 3.4283 3.7673 3.7673 3.8337 3.8337 3.8795 3.8795 3.8970 3.8970 3.9359 3.9359 4.4967 4.4967 4.5331 4.5331 4.5533 4.5533 4.7302 4.7302 4.7364 4.7364 4.7526 4.7526 5.0428 5.0428 5.1412 5.1412 5.2071 5.2071 5.2332 5.2332 6.2371 6.2371 6.2789 6.2789 6.2923 6.2923 8.3531 8.3531 8.4280 8.4280 8.4458 8.4458 8.5566 8.5566 8.6346 8.6346 8.9224 8.9224 11.8938 11.8938 k = 0.0000 0.0893-0.0000 ( 6803 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9278 -23.9277 -23.9277 -6.9558 -6.9558 -5.9895 -5.9895 -5.9607 -5.9607 -5.9508 -5.9508 1.0654 1.0654 1.0822 1.0822 1.9264 1.9264 2.7143 2.7143 2.7829 2.7829 2.8061 2.8061 3.3020 3.3020 3.3999 3.3999 3.4256 3.4256 3.7468 3.7468 3.8371 3.8371 3.8820 3.8820 3.8990 3.8990 3.9526 3.9526 4.4848 4.4848 4.5317 4.5317 4.5512 4.5512 4.7286 4.7286 4.7351 4.7351 4.7551 4.7551 5.0445 5.0445 5.1395 5.1395 5.2001 5.2001 5.2333 5.2333 6.2102 6.2102 6.2754 6.2754 6.2868 6.2868 8.3267 8.3267 8.4396 8.4396 8.4543 8.4543 8.5598 8.5598 8.6462 8.6462 8.9994 8.9994 11.8883 11.8883 k = 0.0000 0.1071-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9278 -23.9277 -23.9277 -6.9485 -6.9485 -5.9962 -5.9962 -5.9628 -5.9628 -5.9508 -5.9508 1.0736 1.0736 1.0975 1.0975 1.9363 1.9363 2.7046 2.7046 2.7806 2.7806 2.8096 2.8096 3.2906 3.2906 3.3898 3.3898 3.4223 3.4223 3.7248 3.7248 3.8409 3.8409 3.8849 3.8849 3.9007 3.9007 3.9705 3.9705 4.4717 4.4717 4.5302 4.5302 4.5474 4.5474 4.7268 4.7268 4.7335 4.7335 4.7575 4.7575 5.0464 5.0464 5.1374 5.1374 5.1926 5.1926 5.2331 5.2331 6.1786 6.1786 6.2714 6.2714 6.2806 6.2806 8.2988 8.2988 8.4515 8.4515 8.4660 8.4660 8.5691 8.5691 8.6600 8.6600 9.0821 9.0821 11.8818 11.8818 k = 0.0000 0.1250-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9279 -23.9279 -23.9277 -23.9277 -6.9401 -6.9401 -6.0050 -6.0050 -5.9644 -5.9644 -5.9508 -5.9508 1.0831 1.0831 1.1155 1.1155 1.9480 1.9480 2.6912 2.6912 2.7798 2.7798 2.8136 2.8136 3.2757 3.2757 3.3801 3.3801 3.4184 3.4184 3.7013 3.7013 3.8450 3.8450 3.8883 3.8883 3.9025 3.9025 3.9891 3.9891 4.4578 4.4578 4.5284 4.5284 4.5422 4.5422 4.7245 4.7245 4.7321 4.7321 4.7599 4.7599 5.0482 5.0482 5.1348 5.1348 5.1849 5.1849 5.2329 5.2329 6.1431 6.1431 6.2668 6.2668 6.2737 6.2737 8.2708 8.2708 8.4624 8.4624 8.4817 8.4817 8.5828 8.5828 8.6755 8.6755 9.1696 9.1696 11.8745 11.8745 k = 0.0000 0.1429-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9280 -23.9280 -23.9276 -23.9276 -6.9303 -6.9303 -6.0158 -6.0158 -5.9654 -5.9654 -5.9508 -5.9508 1.0940 1.0940 1.1360 1.1360 1.9615 1.9615 2.6743 2.6743 2.7806 2.7806 2.8181 2.8181 3.2572 3.2572 3.3712 3.3712 3.4140 3.4140 3.6760 3.6760 3.8494 3.8494 3.8920 3.8920 3.9043 3.9043 4.0083 4.0083 4.4435 4.4435 4.5258 4.5258 4.5361 4.5361 4.7215 4.7215 4.7307 4.7307 4.7621 4.7621 5.0500 5.0500 5.1317 5.1317 5.1772 5.1772 5.2327 5.2327 6.1046 6.1046 6.2618 6.2618 6.2664 6.2664 8.2437 8.2437 8.4728 8.4728 8.5004 8.5004 8.5997 8.5997 8.6924 8.6924 9.2614 9.2614 11.8667 11.8667 k = 0.0000 0.1607-0.0000 ( 6815 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9281 -23.9281 -23.9277 -23.9277 -6.9194 -6.9194 -6.0283 -6.0283 -5.9661 -5.9661 -5.9508 -5.9508 1.1061 1.1061 1.1591 1.1591 1.9769 1.9769 2.6543 2.6543 2.7827 2.7827 2.8231 2.8231 3.2352 3.2352 3.3633 3.3633 3.4090 3.4090 3.6489 3.6489 3.8540 3.8540 3.8960 3.8960 3.9063 3.9063 4.0280 4.0280 4.4288 4.4288 4.5212 4.5212 4.5307 4.5307 4.7176 4.7176 4.7290 4.7290 4.7641 4.7641 5.0515 5.0515 5.1283 5.1283 5.1698 5.1698 5.2326 5.2326 6.0639 6.0639 6.2564 6.2564 6.2587 6.2587 8.2178 8.2178 8.4832 8.4832 8.5210 8.5210 8.6190 8.6190 8.7106 8.7106 9.3570 9.3570 11.8583 11.8583 k = 0.0000 0.1786-0.0000 ( 6823 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9281 -23.9281 -23.9277 -23.9277 -6.9073 -6.9073 -6.0423 -6.0423 -5.9665 -5.9665 -5.9508 -5.9508 1.1194 1.1194 1.1845 1.1845 1.9941 1.9941 2.6313 2.6313 2.7857 2.7857 2.8285 2.8285 3.2101 3.2101 3.3564 3.3564 3.4036 3.4036 3.6199 3.6199 3.8588 3.8588 3.9001 3.9001 3.9085 3.9085 4.0481 4.0481 4.4141 4.4141 4.5137 4.5137 4.5270 4.5270 4.7131 4.7131 4.7268 4.7268 4.7659 4.7659 5.0528 5.0528 5.1248 5.1248 5.1631 5.1631 5.2326 5.2326 6.0217 6.0217 6.2495 6.2495 6.2519 6.2519 8.1933 8.1933 8.4935 8.4935 8.5430 8.5430 8.6399 8.6399 8.7295 8.7295 9.4558 9.4558 11.8497 11.8497 k = 0.0000 0.1964-0.0000 ( 6815 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9282 -23.9282 -23.9277 -23.9277 -6.8941 -6.8941 -6.0578 -6.0578 -5.9668 -5.9668 -5.9508 -5.9508 1.1337 1.1337 1.2123 1.2123 2.0132 2.0132 2.6059 2.6059 2.7895 2.7895 2.8343 2.8343 3.1826 3.1826 3.3502 3.3502 3.3976 3.3976 3.5889 3.5889 3.8638 3.8638 3.9044 3.9044 3.9111 3.9111 4.0687 4.0687 4.3996 4.3996 4.5046 4.5046 4.5240 4.5240 4.7080 4.7080 4.7236 4.7236 4.7673 4.7673 5.0538 5.0538 5.1212 5.1212 5.1572 5.1572 5.2329 5.2329 5.9786 5.9786 6.2411 6.2411 6.2462 6.2462 8.1704 8.1704 8.5039 8.5039 8.5659 8.5659 8.6620 8.6620 8.7489 8.7489 9.5572 9.5572 11.8410 11.8410 k = 0.0000 0.2143-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0084 -26.0084 -23.9283 -23.9283 -23.9277 -23.9277 -6.8799 -6.8799 -6.0745 -6.0745 -5.9670 -5.9670 -5.9508 -5.9508 1.1490 1.1490 1.2423 1.2423 2.0341 2.0341 2.5783 2.5783 2.7938 2.7938 2.8403 2.8403 3.1530 3.1530 3.3447 3.3447 3.3911 3.3911 3.5561 3.5561 3.8689 3.8689 3.9086 3.9086 3.9139 3.9139 4.0896 4.0896 4.3854 4.3854 4.4947 4.4947 4.5210 4.5210 4.7024 4.7024 4.7192 4.7192 4.7682 4.7682 5.0545 5.0545 5.1177 5.1177 5.1527 5.1527 5.2335 5.2335 5.9352 5.9352 6.2325 6.2325 6.2407 6.2407 8.1490 8.1490 8.5142 8.5142 8.5893 8.5893 8.6848 8.6848 8.7684 8.7684 9.6607 9.6607 11.8323 11.8323 k = 0.0000 0.2321-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0084 -26.0084 -23.9284 -23.9284 -23.9277 -23.9277 -6.8646 -6.8646 -6.0924 -6.0924 -5.9671 -5.9671 -5.9508 -5.9508 1.1651 1.1651 1.2743 1.2743 2.0567 2.0567 2.5486 2.5486 2.7986 2.7986 2.8466 2.8466 3.1219 3.1219 3.3396 3.3396 3.3837 3.3837 3.5215 3.5215 3.8741 3.8741 3.9127 3.9127 3.9171 3.9171 4.1108 4.1108 4.3718 4.3718 4.4846 4.4846 4.5178 4.5178 4.6963 4.6963 4.7136 4.7136 4.7683 4.7683 5.0549 5.0549 5.1143 5.1143 5.1496 5.1496 5.2342 5.2342 5.8921 5.8921 6.2238 6.2238 6.2354 6.2354 8.1292 8.1292 8.5243 8.5243 8.6127 8.6127 8.7078 8.7078 8.7878 8.7878 9.7656 9.7656 11.8237 11.8237 k = 0.0000 0.2500-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0084 -26.0084 -23.9285 -23.9285 -23.9277 -23.9277 -6.8484 -6.8484 -6.1114 -6.1114 -5.9671 -5.9671 -5.9508 -5.9508 1.1819 1.1819 1.3083 1.3083 2.0811 2.0811 2.5171 2.5171 2.8037 2.8037 2.8531 2.8531 3.0898 3.0898 3.3348 3.3348 3.3752 3.3752 3.4857 3.4857 3.8795 3.8795 3.9165 3.9165 3.9207 3.9207 4.1322 4.1322 4.3588 4.3588 4.4744 4.4744 4.5142 4.5142 4.6899 4.6899 4.7066 4.7066 4.7675 4.7675 5.0552 5.0552 5.1111 5.1111 5.1483 5.1483 5.2352 5.2352 5.8496 5.8496 6.2152 6.2152 6.2302 6.2302 8.1109 8.1109 8.5343 8.5343 8.6359 8.6359 8.7307 8.7307 8.8068 8.8068 9.8712 9.8712 11.8152 11.8152 k = 0.0000 0.2679-0.0000 ( 6808 PWs) bands (ev): -48.3762 -48.3762 -26.0085 -26.0085 -23.9286 -23.9286 -23.9277 -23.9277 -6.8313 -6.8313 -6.1312 -6.1312 -5.9671 -5.9671 -5.9508 -5.9508 1.1991 1.1991 1.3441 1.3441 2.1072 2.1072 2.4841 2.4841 2.8089 2.8089 2.8596 2.8596 3.0572 3.0572 3.3303 3.3303 3.3645 3.3645 3.4502 3.4502 3.8849 3.8849 3.9201 3.9201 3.9246 3.9246 4.1537 4.1537 4.3466 4.3466 4.4644 4.4644 4.5102 4.5102 4.6832 4.6832 4.6985 4.6985 4.7656 4.7656 5.0554 5.0554 5.1078 5.1078 5.1490 5.1490 5.2364 5.2364 5.8081 5.8081 6.2068 6.2068 6.2252 6.2252 8.0941 8.0941 8.5439 8.5439 8.6586 8.6586 8.7531 8.7531 8.8250 8.8250 9.9770 9.9770 11.8066 11.8066 k = 0.0000 0.2857-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0085 -26.0085 -23.9287 -23.9287 -23.9277 -23.9277 -6.8134 -6.8134 -6.1518 -6.1518 -5.9671 -5.9671 -5.9508 -5.9508 1.2167 1.2167 1.3815 1.3815 2.1348 2.1348 2.4498 2.4498 2.8143 2.8143 2.8661 2.8661 3.0245 3.0245 3.3255 3.3255 3.3491 3.3491 3.4179 3.4179 3.8904 3.8904 3.9235 3.9235 3.9287 3.9287 4.1753 4.1753 4.3352 4.3352 4.4549 4.4549 4.5057 4.5057 4.6763 4.6763 4.6894 4.6894 4.7625 4.7625 5.0558 5.0558 5.1047 5.1047 5.1515 5.1515 5.2379 5.2379 5.7679 5.7679 6.1987 6.1987 6.2206 6.2206 8.0788 8.0788 8.5531 8.5531 8.6805 8.6805 8.7747 8.7747 8.8423 8.8423 10.0822 10.0822 11.7978 11.7978 k = 0.0000 0.3036-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0085 -26.0085 -23.9288 -23.9288 -23.9277 -23.9277 -6.7949 -6.7949 -6.1730 -6.1730 -5.9670 -5.9670 -5.9508 -5.9508 1.2343 1.2343 1.4203 1.4203 2.1635 2.1635 2.4145 2.4145 2.8196 2.8196 2.8725 2.8725 2.9920 2.9920 3.3150 3.3150 3.3301 3.3301 3.3934 3.3934 3.8958 3.8958 3.9269 3.9269 3.9328 3.9328 4.1968 4.1968 4.3247 4.3247 4.4457 4.4457 4.5008 4.5008 4.6691 4.6691 4.6798 4.6798 4.7581 4.7581 5.0565 5.0565 5.1016 5.1016 5.1558 5.1558 5.2396 5.2396 5.7292 5.7292 6.1909 6.1909 6.2162 6.2162 8.0648 8.0648 8.5619 8.5619 8.7013 8.7013 8.7954 8.7954 8.8586 8.8586 10.1860 10.1860 11.7884 11.7884 k = 0.0000 0.3214-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0086 -26.0086 -23.9289 -23.9289 -23.9277 -23.9277 -6.7758 -6.7758 -6.1946 -6.1946 -5.9670 -5.9670 -5.9508 -5.9508 1.2519 1.2519 1.4605 1.4605 2.1929 2.1929 2.3789 2.3789 2.8249 2.8249 2.8787 2.8787 2.9604 2.9604 3.2834 3.2834 3.3226 3.3226 3.3776 3.3776 3.9012 3.9012 3.9302 3.9302 3.9368 3.9368 4.2180 4.2180 4.3153 4.3153 4.4371 4.4371 4.4955 4.4955 4.6613 4.6613 4.6706 4.6706 4.7525 4.7525 5.0573 5.0573 5.0986 5.0986 5.1615 5.1615 5.2416 5.2416 5.6922 5.6922 6.1836 6.1836 6.2122 6.2122 8.0523 8.0523 8.5701 8.5701 8.7208 8.7208 8.8148 8.8148 8.8736 8.8736 10.2877 10.2877 11.7782 11.7782 k = 0.0000 0.3393-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0086 -26.0086 -23.9290 -23.9290 -23.9277 -23.9277 -6.7564 -6.7564 -6.2165 -6.2165 -5.9669 -5.9669 -5.9508 -5.9508 1.2690 1.2690 1.5017 1.5017 2.2208 2.2208 2.3450 2.3450 2.8299 2.8299 2.8846 2.8846 2.9300 2.9300 3.2422 3.2422 3.3191 3.3191 3.3668 3.3668 3.9065 3.9065 3.9335 3.9335 3.9406 3.9406 4.2387 4.2387 4.3069 4.3069 4.4291 4.4291 4.4900 4.4900 4.6520 4.6520 4.6628 4.6628 4.7455 4.7455 5.0585 5.0585 5.0958 5.0958 5.1683 5.1683 5.2441 5.2441 5.6571 5.6571 6.1768 6.1768 6.2085 6.2085 8.0411 8.0411 8.5778 8.5778 8.7389 8.7389 8.8327 8.8327 8.8872 8.8872 10.3862 10.3862 11.7665 11.7665 k = 0.0000 0.3571-0.0000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0086 -26.0086 -23.9290 -23.9290 -23.9277 -23.9277 -6.7367 -6.7367 -6.2385 -6.2385 -5.9668 -5.9668 -5.9508 -5.9508 1.2855 1.2855 1.5438 1.5438 2.2399 2.2399 2.3201 2.3201 2.8347 2.8347 2.8897 2.8897 2.9017 2.9017 3.1977 3.1977 3.3165 3.3165 3.3584 3.3584 3.9115 3.9115 3.9367 3.9367 3.9442 3.9442 4.2584 4.2584 4.2999 4.2999 4.4217 4.4217 4.4843 4.4843 4.6417 4.6417 4.6565 4.6565 4.7376 4.7376 5.0599 5.0599 5.0931 5.0931 5.1758 5.1758 5.2472 5.2472 5.6240 5.6240 6.1706 6.1706 6.2052 6.2052 8.0312 8.0312 8.5849 8.5849 8.7553 8.7553 8.8491 8.8491 8.8995 8.8995 10.4807 10.4807 11.7530 11.7530 k = 0.0000 0.3750-0.0000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0086 -26.0086 -23.9291 -23.9291 -23.9277 -23.9277 -6.7171 -6.7171 -6.2602 -6.2602 -5.9668 -5.9668 -5.9508 -5.9508 1.3011 1.3011 1.5865 1.5865 2.2309 2.2309 2.3234 2.3234 2.8391 2.8391 2.8741 2.8741 2.8959 2.8959 3.1520 3.1520 3.3146 3.3146 3.3512 3.3512 3.9162 3.9162 3.9399 3.9399 3.9476 3.9476 4.2749 4.2749 4.2963 4.2963 4.4150 4.4150 4.4786 4.4786 4.6311 4.6311 4.6514 4.6514 4.7288 4.7288 5.0615 5.0615 5.0907 5.0907 5.1835 5.1835 5.2510 5.2510 5.5931 5.5931 6.1650 6.1650 6.2023 6.2023 8.0226 8.0226 8.5912 8.5912 8.7701 8.7701 8.8639 8.8639 8.9102 8.9102 10.5700 10.5700 11.7376 11.7376 k = 0.0000 0.3929-0.0000 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0087 -26.0087 -23.9292 -23.9292 -23.9277 -23.9277 -6.6979 -6.6979 -6.2813 -6.2813 -5.9667 -5.9667 -5.9508 -5.9508 1.3154 1.3154 1.6295 1.6295 2.1997 2.1997 2.3487 2.3487 2.8428 2.8428 2.8505 2.8505 2.9005 2.9005 3.1065 3.1065 3.3133 3.3133 3.3448 3.3448 3.9204 3.9204 3.9430 3.9430 3.9505 3.9505 4.2801 4.2801 4.3039 4.3039 4.4089 4.4089 4.4733 4.4733 4.6210 4.6210 4.6472 4.6472 4.7195 4.7195 5.0633 5.0633 5.0884 5.0884 5.1909 5.1909 5.2559 5.2559 5.5644 5.5644 6.1601 6.1601 6.1998 6.1998 8.0152 8.0152 8.5969 8.5969 8.7830 8.7830 8.8768 8.8768 8.9195 8.9195 10.6529 10.6529 11.7204 11.7204 k = 0.0000 0.4107-0.0000 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0087 -26.0087 -23.9292 -23.9292 -23.9277 -23.9277 -6.6794 -6.6794 -6.3013 -6.3013 -5.9666 -5.9666 -5.9508 -5.9508 1.3282 1.3282 1.6723 1.6723 2.1622 2.1622 2.3797 2.3797 2.8287 2.8287 2.8470 2.8470 2.9045 2.9045 3.0625 3.0625 3.3125 3.3125 3.3391 3.3391 3.9241 3.9241 3.9460 3.9460 3.9531 3.9531 4.2774 4.2774 4.3191 4.3191 4.4035 4.4035 4.4684 4.4684 4.6116 4.6116 4.6438 4.6438 4.7103 4.7103 5.0652 5.0652 5.0862 5.0862 5.1975 5.1975 5.2619 5.2619 5.5383 5.5383 6.1559 6.1559 6.1977 6.1977 8.0090 8.0090 8.6018 8.6018 8.7940 8.7940 8.8879 8.8879 8.9273 8.9273 10.7281 10.7281 11.7019 11.7019 k = 0.0000 0.4286-0.0000 ( 6808 PWs) bands (ev): -48.3761 -48.3761 -26.0087 -26.0087 -23.9293 -23.9293 -23.9277 -23.9277 -6.6624 -6.6624 -6.3197 -6.3197 -5.9666 -5.9666 -5.9508 -5.9508 1.3391 1.3391 1.7145 1.7145 2.1233 2.1233 2.4109 2.4109 2.8111 2.8111 2.8498 2.8498 2.9080 2.9080 3.0212 3.0212 3.3123 3.3123 3.3340 3.3340 3.9272 3.9272 3.9489 3.9489 3.9551 3.9551 4.2739 4.2739 4.3341 4.3341 4.3986 4.3986 4.4643 4.4643 4.6034 4.6034 4.6410 4.6410 4.7015 4.7015 5.0672 5.0672 5.0842 5.0842 5.2029 5.2029 5.2688 5.2688 5.5153 5.5153 6.1524 6.1524 6.1959 6.1959 8.0040 8.0040 8.6058 8.6058 8.8031 8.8031 8.8970 8.8970 8.9337 8.9337 10.7939 10.7939 11.6833 11.6833 k = 0.0000 0.4464-0.0000 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0087 -26.0087 -23.9293 -23.9293 -23.9277 -23.9277 -6.6475 -6.6475 -6.3357 -6.3357 -5.9665 -5.9665 -5.9508 -5.9508 1.3479 1.3479 1.7548 1.7548 2.0852 2.0852 2.4397 2.4397 2.7972 2.7972 2.8520 2.8520 2.9107 2.9107 2.9845 2.9845 3.3126 3.3126 3.3295 3.3295 3.9296 3.9296 3.9515 3.9515 3.9566 3.9566 4.2709 4.2709 4.3476 4.3476 4.3940 4.3940 4.4611 4.4611 4.5966 4.5966 4.6390 4.6390 4.6938 4.6938 5.0691 5.0691 5.0823 5.0823 5.2069 5.2069 5.2761 5.2761 5.4957 5.4957 6.1497 6.1497 6.1946 6.1946 8.0001 8.0001 8.6090 8.6090 8.8103 8.8103 8.9042 8.9042 8.9385 8.9385 10.8484 10.8484 11.6659 11.6659 k = 0.0000 0.4643-0.0000 ( 6816 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6357 -6.6357 -6.3482 -6.3482 -5.9665 -5.9665 -5.9508 -5.9508 1.3544 1.3544 1.7912 1.7912 2.0503 2.0503 2.4634 2.4634 2.7872 2.7872 2.8535 2.8535 2.9128 2.9128 2.9550 2.9550 3.3134 3.3134 3.3256 3.3256 3.9312 3.9312 3.9536 3.9536 3.9574 3.9574 4.2687 4.2687 4.3588 4.3588 4.3895 4.3895 4.4588 4.4588 4.5914 4.5914 4.6374 4.6374 4.6877 4.6877 5.0709 5.0709 5.0805 5.0805 5.2096 5.2096 5.2828 5.2828 5.4804 5.4804 6.1477 6.1477 6.1936 6.1936 7.9974 7.9974 8.6113 8.6113 8.8153 8.8153 8.9093 8.9093 8.9420 8.9420 10.8896 10.8896 11.6515 11.6515 k = 0.0000 0.4821-0.0000 ( 6824 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6281 -6.6281 -6.3564 -6.3564 -5.9665 -5.9665 -5.9508 -5.9508 1.3584 1.3584 1.8191 1.8191 2.0232 2.0232 2.4793 2.4793 2.7814 2.7814 2.8543 2.8543 2.9142 2.9142 2.9353 2.9353 3.3146 3.3146 3.3227 3.3227 3.9322 3.9322 3.9553 3.9553 3.9576 3.9576 4.2674 4.2674 4.3672 4.3672 4.3853 4.3853 4.4575 4.4575 4.5882 4.5882 4.6365 4.6365 4.6838 4.6838 5.0724 5.0724 5.0790 5.0790 5.2111 5.2111 5.2876 5.2876 5.4706 5.4706 6.1465 6.1465 6.1931 6.1931 7.9957 7.9957 8.6127 8.6127 8.8184 8.8184 8.9124 8.9124 8.9440 8.9440 10.9154 10.9154 11.6418 11.6418 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6254 -6.6254 -6.3592 -6.3592 -5.9665 -5.9665 -5.9508 -5.9508 1.3597 1.3597 1.8303 1.8303 2.0123 2.0123 2.4850 2.4850 2.7795 2.7795 2.8546 2.8546 2.9148 2.9148 2.9283 2.9283 3.3153 3.3153 3.3214 3.3214 3.9325 3.9325 3.9560 3.9560 3.9575 3.9575 4.2669 4.2669 4.3711 4.3711 4.3829 4.3829 4.4571 4.4571 4.5871 4.5871 4.6362 4.6362 4.6824 4.6824 5.0731 5.0731 5.0784 5.0784 5.2116 5.2116 5.2894 5.2894 5.4672 5.4672 6.1462 6.1462 6.1929 6.1929 7.9952 7.9952 8.6132 8.6132 8.8194 8.8194 8.9135 8.9135 8.9447 8.9447 10.9242 10.9242 11.6384 11.6384 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6254 -6.6254 -6.3592 -6.3592 -5.9665 -5.9665 -5.9508 -5.9508 1.3597 1.3597 1.8303 1.8303 2.0123 2.0123 2.4850 2.4850 2.7795 2.7795 2.8546 2.8546 2.9148 2.9148 2.9283 2.9283 3.3153 3.3153 3.3214 3.3214 3.9325 3.9325 3.9560 3.9560 3.9575 3.9575 4.2669 4.2669 4.3711 4.3711 4.3829 4.3829 4.4571 4.4571 4.5871 4.5871 4.6362 4.6362 4.6824 4.6824 5.0731 5.0731 5.0784 5.0784 5.2116 5.2116 5.2894 5.2894 5.4672 5.4672 6.1462 6.1462 6.1929 6.1929 7.9952 7.9952 8.6132 8.6132 8.8194 8.8194 8.9135 8.9135 8.9447 8.9447 10.9242 10.9242 11.6384 11.6384 k = 0.0179 0.5000-0.0000 ( 6824 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6249 -6.6249 -6.3592 -6.3586 -5.9673 -5.9664 -5.9512 -5.9511 1.3594 1.3617 1.8301 1.8306 2.0117 2.0124 2.4830 2.4871 2.7770 2.7819 2.8544 2.8545 2.9137 2.9155 2.9266 2.9298 3.3140 3.3152 3.3212 3.3215 3.9280 3.9291 3.9533 3.9545 3.9598 3.9625 4.2654 4.2675 4.3676 4.3725 4.3764 4.3887 4.4490 4.4694 4.5822 4.5894 4.6283 4.6502 4.6796 4.6869 5.0603 5.0729 5.0749 5.0871 5.2104 5.2186 5.2866 5.2933 5.4646 5.4714 6.1440 6.1459 6.1903 6.1933 7.9958 7.9982 8.6144 8.6157 8.8032 8.8310 8.9009 8.9205 8.9459 8.9519 10.9228 10.9289 11.6404 11.6425 k = 0.0357 0.5000-0.0000 ( 6820 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6234 -6.6233 -6.3587 -6.3574 -5.9689 -5.9672 -5.9524 -5.9523 1.3606 1.3653 1.8300 1.8309 2.0106 2.0121 2.4813 2.4894 2.7747 2.7845 2.8540 2.8542 2.9125 2.9160 2.9248 2.9312 3.3113 3.3143 3.3205 3.3216 3.9194 3.9204 3.9461 3.9493 3.9671 3.9703 4.2631 4.2670 4.3627 4.3661 4.3771 4.3918 4.4456 4.4844 4.5729 4.5927 4.6274 4.6644 4.6811 4.6934 5.0403 5.0701 5.0742 5.0885 5.2166 5.2276 5.2855 5.2988 5.4637 5.4773 6.1396 6.1434 6.1855 6.1914 8.0001 8.0049 8.6194 8.6217 8.7854 8.8331 8.8931 8.9163 8.9503 8.9702 10.9249 10.9370 11.6484 11.6526 k = 0.0536 0.5000-0.0000 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9294 -23.9294 -23.9277 -23.9277 -6.6209 -6.6207 -6.3576 -6.3557 -5.9713 -5.9688 -5.9543 -5.9542 1.3634 1.3705 1.8299 1.8313 2.0091 2.0113 2.4798 2.4920 2.7724 2.7871 2.8533 2.8536 2.9110 2.9162 2.9230 2.9325 3.3072 3.3128 3.3189 3.3217 3.9092 3.9094 3.9356 3.9397 3.9756 3.9791 4.2604 4.2657 4.3566 4.3587 4.3794 4.3929 4.4455 4.5004 4.5613 4.5990 4.6304 4.6676 4.6962 4.7024 5.0184 5.0639 5.0732 5.0846 5.2265 5.2351 5.2884 5.3072 5.4647 5.4852 6.1329 6.1386 6.1786 6.1874 8.0080 8.0152 8.6281 8.6311 8.7677 8.8247 8.8903 8.9061 8.9587 8.9928 10.9304 10.9484 11.6625 11.6685 k = 0.0714 0.5000-0.0000 ( 6810 PWs) bands (ev): -48.3762 -48.3762 -26.0088 -26.0088 -23.9294 -23.9294 -23.9277 -23.9277 -6.6173 -6.6172 -6.3559 -6.3534 -5.9744 -5.9712 -5.9569 -5.9569 1.3678 1.3773 1.8300 1.8318 2.0071 2.0101 2.4786 2.4948 2.7701 2.7896 2.8522 2.8528 2.9094 2.9163 2.9211 2.9336 3.3019 3.3109 3.3165 3.3217 3.8969 3.8981 3.9224 3.9262 3.9844 3.9880 4.2575 4.2635 4.3502 4.3523 4.3821 4.3933 4.4464 4.5159 4.5499 4.6088 4.6348 4.6654 4.7143 4.7181 4.9959 5.0527 5.0718 5.0799 5.2330 5.2389 5.2989 5.3190 5.4677 5.4950 6.1242 6.1317 6.1700 6.1813 8.0194 8.0290 8.6401 8.6431 8.7511 8.8112 8.8865 8.8924 8.9723 9.0169 10.9391 10.9629 11.6824 11.6903 k = 0.0893 0.5000-0.0000 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6128 -6.6126 -6.3537 -6.3506 -5.9783 -5.9746 -5.9603 -5.9600 1.3737 1.3855 1.8300 1.8323 2.0045 2.0083 2.4778 2.4980 2.7679 2.7921 2.8509 2.8518 2.9078 2.9163 2.9193 2.9348 3.2953 3.3083 3.3133 3.3216 3.8829 3.8862 3.9072 3.9093 3.9932 3.9968 4.2548 4.2606 4.3443 4.3472 4.3851 4.3937 4.4470 4.5271 4.5422 4.6212 4.6398 4.6626 4.7291 4.7421 4.9735 5.0374 5.0701 5.0760 5.2330 5.2387 5.3171 5.3335 5.4734 5.5069 6.1137 6.1230 6.1600 6.1736 8.0342 8.0463 8.6546 8.6570 8.7367 8.7968 8.8759 8.8796 8.9900 9.0414 10.9511 10.9805 11.7081 11.7177 k = 0.1071 0.5000-0.0000 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6073 -6.6071 -6.3510 -6.3472 -5.9831 -5.9790 -5.9643 -5.9637 1.3810 1.3951 1.8301 1.8328 2.0013 2.0060 2.4776 2.5018 2.7657 2.7946 2.8491 2.8505 2.9063 2.9163 2.9177 2.9360 3.2876 3.3046 3.3101 3.3212 3.8669 3.8733 3.8896 3.8910 4.0017 4.0054 4.2528 4.2572 4.3397 4.3433 4.3884 4.3943 4.4471 4.5240 4.5470 4.6337 4.6460 4.6610 4.7462 4.7670 4.9516 5.0197 5.0682 5.0724 5.2284 5.2352 5.3380 5.3491 5.4829 5.5213 6.1015 6.1126 6.1490 6.1647 8.0523 8.0668 8.6694 8.6715 8.7267 8.7831 8.8572 8.8709 9.0099 9.0660 10.9661 11.0010 11.7394 11.7503 k = 0.1250 0.5000-0.0000 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6009 -6.6006 -6.3477 -6.3433 -5.9887 -5.9843 -5.9690 -5.9679 1.3897 1.4061 1.8302 1.8333 1.9975 2.0032 2.4781 2.5061 2.7636 2.7969 2.8471 2.8491 2.9050 2.9163 2.9165 2.9373 3.2789 3.2992 3.3073 3.3206 3.8486 3.8592 3.8682 3.8744 4.0100 4.0137 4.2514 4.2537 4.3365 4.3405 4.3919 4.3951 4.4468 4.5159 4.5543 4.6403 4.6543 4.6655 4.7649 4.7923 4.9307 5.0011 5.0662 5.0688 5.2213 5.2290 5.3570 5.3640 5.4977 5.5381 6.0879 6.1005 6.1379 6.1551 8.0734 8.0905 8.6780 8.6847 8.7270 8.7703 8.8370 8.8634 9.0309 9.0901 10.9840 11.0240 11.7761 11.7876 k = 0.1429 0.5000-0.0000 ( 6786 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9295 -23.9295 -23.9279 -23.9279 -6.5935 -6.5932 -6.3438 -6.3389 -5.9951 -5.9907 -5.9742 -5.9725 1.3996 1.4182 1.8302 1.8338 1.9931 1.9998 2.4794 2.5112 2.7615 2.7989 2.8449 2.8475 2.9038 2.9158 2.9164 2.9387 3.2691 3.2923 3.3048 3.3199 3.8280 3.8413 3.8480 3.8578 4.0179 4.0217 4.2504 4.2508 4.3347 4.3388 4.3955 4.3960 4.4466 4.5082 4.5582 4.6385 4.6650 4.6777 4.7845 4.8174 4.9113 4.9822 5.0642 5.0648 5.2128 5.2209 5.3708 5.3769 5.5188 5.5576 6.0729 6.0866 6.1276 6.1457 8.0974 8.1170 8.6757 8.6946 8.7419 8.7576 8.8163 8.8606 9.0522 9.1137 11.0046 11.0495 11.8178 11.8289 k = 0.1607 0.5000-0.0000 ( 6792 PWs) bands (ev): -48.3761 -48.3761 -26.0089 -26.0089 -23.9295 -23.9295 -23.9279 -23.9279 -6.5852 -6.5848 -6.3395 -6.3340 -6.0024 -5.9980 -5.9800 -5.9775 1.4107 1.4314 1.8301 1.8341 1.9880 1.9958 2.4817 2.5173 2.7596 2.8006 2.8427 2.8459 2.9027 2.9157 2.9167 2.9404 3.2583 3.2842 3.3025 3.3190 3.8058 3.8178 3.8314 3.8411 4.0253 4.0292 4.2476 4.2509 4.3342 4.3381 4.3971 4.3991 4.4466 4.5013 4.5587 4.6331 4.6778 4.6915 4.8041 4.8409 4.8951 4.9638 5.0605 5.0623 5.2034 5.2112 5.3784 5.3868 5.5457 5.5795 6.0566 6.0708 6.1192 6.1376 8.1240 8.1462 8.6681 8.6998 8.7436 8.7628 8.7983 8.8660 9.0731 9.1364 11.0275 11.0770 11.8639 11.8723 k = 0.1786 0.5000-0.0000 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0089 -26.0089 -23.9295 -23.9295 -23.9280 -23.9280 -6.5760 -6.5757 -6.3347 -6.3286 -6.0106 -6.0063 -5.9862 -5.9829 1.4228 1.4456 1.8299 1.8344 1.9821 1.9911 2.4853 2.5244 2.7578 2.8018 2.8408 2.8445 2.9018 2.9162 2.9171 2.9423 3.2465 3.2749 3.3003 3.3179 3.7825 3.7926 3.8147 3.8238 4.0321 4.0362 4.2458 4.2519 4.3347 4.3384 4.3983 4.4027 4.4471 4.4954 4.5564 4.6265 4.6919 4.7039 4.8226 4.8569 4.8885 4.9471 5.0561 5.0605 5.1935 5.2002 5.3806 5.3931 5.5764 5.6030 6.0391 6.0533 6.1136 6.1317 8.1530 8.1779 8.6591 8.7005 8.7274 8.7652 8.8036 8.8804 9.0935 9.1581 11.0525 11.1063 11.9133 11.9142 k = 0.1964 0.5000-0.0000 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0089 -26.0089 -23.9296 -23.9296 -23.9280 -23.9280 -6.5661 -6.5656 -6.3294 -6.3227 -6.0196 -6.0155 -5.9928 -5.9888 1.4358 1.4606 1.8295 1.8345 1.9756 1.9858 2.4902 2.5328 2.7562 2.8023 2.8394 2.8432 2.9011 2.9175 2.9176 2.9444 3.2338 3.2646 3.2981 3.3167 3.7584 3.7670 3.7971 3.8059 4.0383 4.0428 4.2452 4.2535 4.3359 4.3397 4.3999 4.4061 4.4480 4.4904 4.5523 4.6190 4.7066 4.7132 4.8380 4.8554 4.9021 4.9340 5.0514 5.0591 5.1833 5.1883 5.3782 5.3956 5.6086 5.6274 6.0203 6.0343 6.1118 6.1293 8.1842 8.2116 8.6492 8.6958 8.7118 8.7491 8.8317 8.9021 9.1131 9.1787 11.0793 11.1369 11.9466 11.9626 k = 0.2143 0.5000-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0090 -26.0090 -23.9296 -23.9296 -23.9281 -23.9281 -6.5553 -6.5548 -6.3236 -6.3165 -6.0294 -6.0255 -5.9998 -5.9950 1.4496 1.4762 1.8290 1.8344 1.9683 1.9799 2.4967 2.5425 2.7549 2.8022 2.8389 2.8423 2.9006 2.9182 2.9195 2.9468 3.2201 3.2533 3.2961 3.3153 3.7341 3.7414 3.7785 3.7871 4.0438 4.0487 4.2458 4.2557 4.3376 4.3418 4.4017 4.4092 4.4494 4.4862 4.5471 4.6109 4.7178 4.7212 4.8468 4.8503 4.9231 4.9276 5.0467 5.0580 5.1731 5.1755 5.3722 5.3941 5.6402 5.6513 6.0005 6.0143 6.1144 6.1311 8.2172 8.2471 8.6381 8.6805 8.7046 8.7337 8.8638 8.9286 9.1316 9.1979 11.1075 11.1684 11.9591 12.0005 k = 0.2321 0.5000-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0090 -26.0090 -23.9296 -23.9296 -23.9281 -23.9281 -6.5438 -6.5433 -6.3175 -6.3098 -6.0400 -6.0363 -6.0071 -6.0016 1.4641 1.4923 1.8283 1.8342 1.9603 1.9732 2.5049 2.5537 2.7540 2.8015 2.8393 2.8418 2.9002 2.9189 2.9221 2.9495 3.2056 3.2410 3.2943 3.3140 3.7098 3.7160 3.7588 3.7675 4.0487 4.0542 4.2476 4.2585 4.3397 4.3447 4.4039 4.4119 4.4512 4.4829 4.5414 4.6025 4.7169 4.7350 4.8465 4.8493 4.9309 4.9442 5.0421 5.0576 5.1623 5.1631 5.3633 5.3890 5.6697 5.6739 5.9800 5.9936 6.1219 6.1379 8.2516 8.2840 8.6254 8.6598 8.7024 8.7219 8.8975 8.9581 9.1491 9.2158 11.1366 11.2004 11.9503 12.0055 k = 0.2500 0.5000-0.0000 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0090 -26.0090 -23.9297 -23.9297 -23.9282 -23.9282 -6.5316 -6.5311 -6.3109 -6.3028 -6.0513 -6.0478 -6.0148 -6.0086 1.4791 1.5087 1.8273 1.8337 1.9516 1.9660 2.5149 2.5665 2.7536 2.8002 2.8406 2.8418 2.9000 2.9196 2.9252 2.9524 3.1901 3.2277 3.2925 3.3125 3.6856 3.6912 3.7381 3.7470 4.0530 4.0591 4.2507 4.2618 4.3418 4.3480 4.4065 4.4141 4.4535 4.4803 4.5356 4.5938 4.7109 4.7469 4.8400 4.8531 4.9413 4.9640 5.0380 5.0578 5.1487 5.1533 5.3517 5.3804 5.6943 5.6957 5.9589 5.9726 6.1346 6.1498 8.2870 8.3218 8.6108 8.6383 8.7020 8.7144 8.9319 8.9892 9.1654 9.2321 11.1661 11.2323 11.9259 11.9818 k = 0.2679 0.5000-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9297 -23.9297 -23.9283 -23.9282 -6.5188 -6.5182 -6.3040 -6.2955 -6.0633 -6.0599 -6.0227 -6.0160 1.4945 1.5253 1.8261 1.8330 1.9422 1.9581 2.5269 2.5810 2.7537 2.7986 2.8425 2.8428 2.9000 2.9202 2.9289 2.9555 3.1738 3.2135 3.2910 3.3111 3.6619 3.6670 3.7164 3.7258 4.0567 4.0635 4.2549 4.2656 4.3438 4.3517 4.4096 4.4157 4.4563 4.4785 4.5303 4.5851 4.7011 4.7550 4.8334 4.8607 4.9541 4.9816 5.0349 5.0588 5.1350 5.1439 5.3379 5.3686 5.7121 5.7177 5.9379 5.9517 6.1524 6.1666 8.3230 8.3599 8.5950 8.6174 8.7029 8.7112 8.9664 9.0211 9.1803 9.2468 11.1956 11.2635 11.8904 11.9432 k = 0.2857 0.5000-0.0000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9298 -23.9298 -23.9283 -23.9283 -6.5054 -6.5048 -6.2967 -6.2879 -6.0759 -6.0727 -6.0309 -6.0236 1.5102 1.5419 1.8247 1.8320 1.9323 1.9496 2.5410 2.5970 2.7545 2.7970 2.8437 2.8457 2.9001 2.9207 2.9329 2.9588 3.1566 3.1984 3.2897 3.3096 3.6388 3.6437 3.6939 3.7038 4.0599 4.0673 4.2600 4.2699 4.3457 4.3553 4.4131 4.4165 4.4595 4.4777 4.5256 4.5764 4.6892 4.7565 4.8319 4.8709 4.9661 4.9967 5.0336 5.0609 5.1217 5.1350 5.3223 5.3539 5.7271 5.7356 5.9172 5.9313 6.1747 6.1876 8.3591 8.3978 8.5790 8.5976 8.7052 8.7115 9.0006 9.0528 9.1940 9.2599 11.2244 11.2934 11.8471 11.8956 k = 0.3036 0.5000-0.0000 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0091 -26.0091 -23.9298 -23.9298 -23.9283 -23.9283 -6.4915 -6.4908 -6.2892 -6.2801 -6.0891 -6.0859 -6.0392 -6.0315 1.5261 1.5584 1.8229 1.8306 1.9221 1.9407 2.5572 2.6147 2.7562 2.7955 2.8456 2.8492 2.9003 2.9210 2.9372 2.9621 3.1384 3.1823 3.2886 3.3081 3.6164 3.6215 3.6707 3.6814 4.0627 4.0707 4.2659 4.2746 4.3472 4.3586 4.4165 4.4168 4.4632 4.4781 4.5217 4.5679 4.6763 4.7502 4.8375 4.8826 4.9751 5.0089 5.0353 5.0636 5.1094 5.1266 5.3051 5.3369 5.7396 5.7496 5.8972 5.9116 6.2004 6.2118 8.3947 8.4346 8.5636 8.5797 8.7090 8.7148 9.0340 9.0838 9.2063 9.2712 11.2522 11.3212 11.7984 11.8422 k = 0.3214 0.5000-0.0000 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9299 -23.9299 -23.9284 -23.9284 -6.4772 -6.4765 -6.2815 -6.2721 -6.1026 -6.0996 -6.0477 -6.0396 1.5420 1.5746 1.8209 1.8288 1.9116 1.9315 2.5754 2.6336 2.7588 2.7941 2.8481 2.8532 2.9007 2.9211 2.9418 2.9655 3.1194 3.1653 3.2877 3.3067 3.5950 3.6005 3.6473 3.6588 4.0651 4.0736 4.2723 4.2797 4.3484 4.3613 4.4158 4.4206 4.4673 4.4795 4.5188 4.5599 4.6632 4.7388 4.8483 4.8951 4.9801 5.0183 5.0407 5.0657 5.0991 5.1187 5.2868 5.3179 5.7498 5.7602 5.8782 5.8930 6.2284 6.2382 8.4290 8.4689 8.5494 8.5644 8.7145 8.7206 9.0663 9.1136 9.2172 9.2808 11.2782 11.3464 11.7466 11.7857 k = 0.3393 0.5000-0.0000 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9299 -23.9299 -23.9284 -23.9284 -6.4626 -6.4619 -6.2736 -6.2640 -6.1166 -6.1136 -6.0562 -6.0479 1.5579 1.5904 1.8185 1.8266 1.9011 1.9220 2.5956 2.6537 2.7627 2.7930 2.8511 2.8575 2.9012 2.9208 2.9465 2.9688 3.0995 3.1473 3.2872 3.3054 3.5746 3.5808 3.6237 3.6362 4.0674 4.0760 4.2791 4.2851 4.3493 4.3631 4.4146 4.4242 4.4719 4.4823 4.5168 4.5526 4.6503 4.7247 4.8621 4.9081 4.9817 5.0255 5.0489 5.0642 5.0935 5.1113 5.2677 5.2974 5.7582 5.7679 5.8605 5.8757 6.2573 6.2654 8.4613 8.4983 8.5371 8.5534 8.7218 8.7285 9.0968 9.1415 9.2271 9.2886 11.3021 11.3683 11.6937 11.7282 k = 0.3571 0.5000-0.0000 ( 6778 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9300 -23.9300 -23.9284 -23.9284 -6.4478 -6.4471 -6.2657 -6.2559 -6.1307 -6.1278 -6.0647 -6.0563 1.5737 1.6056 1.8158 1.8237 1.8910 1.9125 2.6177 2.6741 2.7684 2.7920 2.8545 2.8620 2.9019 2.9201 2.9512 2.9719 3.0786 3.1282 3.2868 3.3040 3.5555 3.5626 3.6006 3.6141 4.0695 4.0780 4.2861 4.2908 4.3497 4.3637 4.4132 4.4272 4.4769 4.4860 4.5156 4.5463 4.6379 4.7095 4.8773 4.9212 4.9815 5.0311 5.0579 5.0584 5.0934 5.1042 5.2480 5.2758 5.7651 5.7734 5.8445 5.8600 6.2860 6.2925 8.4900 8.5147 8.5276 8.5538 8.7314 8.7385 9.1253 9.1670 9.2360 9.2947 11.3234 11.3864 11.6416 11.6716 k = 0.3750 0.5000-0.0000 ( 6794 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9301 -23.9301 -23.9285 -23.9284 -6.4330 -6.4323 -6.2578 -6.2481 -6.1448 -6.1420 -6.0730 -6.0647 1.5892 1.6200 1.8127 1.8200 1.8816 1.9031 2.6414 2.6940 2.7765 2.7912 2.8583 2.8665 2.9028 2.9189 2.9560 2.9747 3.0570 3.1081 3.2867 3.3027 3.5378 3.5462 3.5782 3.5929 4.0713 4.0796 4.2931 4.2967 4.3497 4.3630 4.4121 4.4295 4.4821 4.4905 4.5151 4.5412 4.6264 4.6938 4.8932 4.9341 4.9808 5.0357 5.0495 5.0680 5.0953 5.0976 5.2282 5.2538 5.7706 5.7769 5.8303 5.8460 6.3134 6.3185 8.5067 8.5137 8.5288 8.5691 8.7433 8.7501 9.1512 9.1892 9.2445 9.2992 11.3420 11.4005 11.5919 11.6175 k = 0.3929 0.5000-0.0000 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9301 -23.9301 -23.9285 -23.9285 -6.4183 -6.4177 -6.2501 -6.2405 -6.1588 -6.1559 -6.0810 -6.0729 1.6044 1.6336 1.8091 1.8152 1.8735 1.8940 2.6663 2.7119 2.7881 2.7907 2.8622 2.8707 2.9041 2.9171 2.9606 2.9771 3.0347 3.0869 3.2869 3.3014 3.5218 3.5315 3.5573 3.5729 4.0731 4.0808 4.3000 4.3027 4.3492 4.3611 4.4114 4.4307 4.4873 4.4953 4.5153 4.5378 4.6159 4.6783 4.9092 4.9464 4.9809 5.0382 5.0433 5.0770 5.0912 5.0967 5.2087 5.2320 5.7749 5.7788 5.8182 5.8341 6.3387 6.3425 8.5044 8.5078 8.5474 8.5863 8.7572 8.7629 9.1742 9.2072 9.2533 9.3023 11.3578 11.4103 11.5461 11.5676 k = 0.4107 0.5000-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9301 -23.9301 -23.9285 -23.9285 -6.4041 -6.4035 -6.2429 -6.2336 -6.1722 -6.1693 -6.0885 -6.0808 1.6190 1.6459 1.8052 1.8095 1.8671 1.8856 2.6918 2.7267 2.7907 2.8042 2.8661 2.8744 2.9058 2.9145 2.9650 2.9788 3.0122 3.0645 3.2875 3.3001 3.5078 3.5188 3.5384 3.5548 4.0748 4.0817 4.3067 4.3088 4.3484 4.3583 4.4114 4.4308 4.4922 4.4997 4.5166 4.5364 4.6067 4.6631 4.9245 4.9572 4.9828 5.0337 5.0459 5.0840 5.0861 5.0963 5.1899 5.2111 5.7780 5.7794 5.8087 5.8244 6.3611 6.3638 8.4995 8.5020 8.5665 8.6002 8.7722 8.7764 9.1940 9.2205 9.2629 9.3042 11.3709 11.4164 11.5054 11.5229 k = 0.4286 0.5000-0.0000 ( 6802 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3908 -6.3902 -6.2364 -6.2278 -6.1844 -6.1816 -6.0952 -6.0883 1.6328 1.6566 1.8010 1.8032 1.8624 1.8781 2.7169 2.7380 2.7917 2.8243 2.8698 2.8775 2.9080 2.9107 2.9690 2.9781 2.9916 3.0411 3.2882 3.2988 3.4961 3.5077 3.5225 3.5388 4.0764 4.0822 4.3131 4.3148 4.3470 4.3546 4.4120 4.4298 4.4962 4.5029 4.5194 4.5369 4.5992 4.6483 4.9379 4.9655 4.9878 5.0305 5.0507 5.0789 5.0916 5.0932 5.1725 5.1918 5.7787 5.7793 5.8022 5.8169 6.3802 6.3820 8.4954 8.4973 8.5828 8.6100 8.7871 8.7896 9.2101 9.2292 9.2732 9.3052 11.3816 11.4190 11.4709 11.4847 k = 0.4464 0.5000-0.0000 ( 6790 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3788 -6.3784 -6.2313 -6.2238 -6.1945 -6.1919 -6.1008 -6.0950 1.6454 1.6651 1.7965 1.7969 1.8595 1.8716 2.7392 2.7464 2.7956 2.8466 2.8732 2.8796 2.9055 2.9109 2.9650 2.9726 2.9843 3.0167 3.2892 3.2974 3.4870 3.4978 3.5108 3.5254 4.0778 4.0824 4.3193 4.3207 4.3451 4.3504 4.4132 4.4279 4.4993 4.5047 4.5236 4.5387 4.5939 4.6343 4.9480 4.9698 4.9971 5.0315 5.0563 5.0730 5.0868 5.0956 5.1577 5.1752 5.7774 5.7787 5.7992 5.8113 6.3954 6.3966 8.4924 8.4937 8.5958 8.6163 8.8004 8.8015 9.2224 9.2345 9.2829 9.3055 11.3904 11.4189 11.4436 11.4536 k = 0.4643 0.5000-0.0000 ( 6786 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3691 -6.3687 -6.2282 -6.2229 -6.2008 -6.1992 -6.1048 -6.1006 1.6565 1.6708 1.7916 1.7923 1.8582 1.8663 2.7527 2.7542 2.8063 2.8656 2.8761 2.8808 2.9012 2.9145 2.9479 2.9748 2.9836 2.9922 3.2904 3.2960 3.4808 3.4889 3.5040 3.5147 4.0791 4.0823 4.3251 4.3262 4.3426 4.3459 4.4149 4.4253 4.5015 4.5052 4.5286 4.5403 4.5919 4.6213 4.9551 4.9702 5.0104 5.0362 5.0628 5.0671 5.0772 5.0956 5.1476 5.1620 5.7759 5.7769 5.7990 5.8073 6.4065 6.4072 8.4904 8.4913 8.6058 8.6194 8.8108 8.8111 9.2309 9.2376 9.2911 9.3051 11.3978 11.4163 11.4246 11.4305 k = 0.4821 0.5000-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3626 -6.3624 -6.2271 -6.2247 -6.2032 -6.2027 -6.1070 -6.1047 1.6653 1.6729 1.7883 1.7891 1.8582 1.8623 2.7572 2.7599 2.8249 2.8640 2.8788 2.8810 2.9120 2.9189 2.9356 2.9628 2.9807 2.9829 3.2917 3.2946 3.4779 3.4821 3.5015 3.5071 4.0803 4.0819 4.3307 4.3312 4.3395 4.3410 4.4171 4.4225 4.5031 4.5049 4.5335 4.5401 4.5941 4.6098 4.9602 4.9680 5.0258 5.0417 5.0613 5.0629 5.0731 5.0903 5.1440 5.1524 5.7748 5.7753 5.8002 5.8043 6.4133 6.4136 8.4893 8.4898 8.6130 8.6198 8.8173 8.8173 9.2361 9.2389 9.2973 9.3039 11.4039 11.4107 11.4154 11.4158 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3602 -6.3602 -6.2265 -6.2265 -6.2035 -6.2035 -6.1069 -6.1069 1.6710 1.6710 1.7875 1.7875 1.8596 1.8596 2.7600 2.7600 2.8463 2.8463 2.8803 2.8803 2.9236 2.9236 2.9390 2.9390 2.9818 2.9818 3.2931 3.2931 3.4783 3.4783 3.5027 3.5027 4.0812 4.0812 4.3356 4.3356 4.3361 4.3361 4.4197 4.4197 4.5042 4.5042 4.5376 4.5376 4.6004 4.6004 4.9645 4.9645 5.0396 5.0396 5.0572 5.0572 5.0816 5.0816 5.1462 5.1462 5.7745 5.7745 5.8020 5.8020 6.4156 6.4156 8.4891 8.4891 8.6176 8.6176 8.8195 8.8195 9.2386 9.2386 9.3015 9.3015 11.4077 11.4077 11.4112 11.4112 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3602 -6.3602 -6.2265 -6.2265 -6.2035 -6.2035 -6.1069 -6.1069 1.6710 1.6710 1.7875 1.7875 1.8596 1.8596 2.7600 2.7600 2.8463 2.8463 2.8803 2.8803 2.9236 2.9236 2.9390 2.9390 2.9818 2.9818 3.2931 3.2931 3.4783 3.4783 3.5027 3.5027 4.0812 4.0812 4.3356 4.3356 4.3361 4.3361 4.4197 4.4197 4.5042 4.5042 4.5376 4.5376 4.6004 4.6004 4.9645 4.9645 5.0396 5.0396 5.0572 5.0572 5.0816 5.0816 5.1462 5.1462 5.7745 5.7745 5.8020 5.8020 6.4156 6.4156 8.4891 8.4891 8.6176 8.6176 8.8195 8.8195 9.2386 9.2386 9.3015 9.3015 11.4077 11.4077 11.4112 11.4112 k = 0.4875 0.4875-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3625 -6.3624 -6.2269 -6.2247 -6.2032 -6.2029 -6.1070 -6.1047 1.6654 1.6729 1.7880 1.7892 1.8582 1.8624 2.7569 2.7604 2.8250 2.8637 2.8788 2.8810 2.9100 2.9243 2.9326 2.9621 2.9802 2.9839 3.2917 3.2946 3.4779 3.4820 3.5015 3.5071 4.0803 4.0818 4.3291 4.3351 4.3362 4.3421 4.4171 4.4225 4.5031 4.5049 4.5334 4.5402 4.5940 4.6098 4.9602 4.9680 5.0257 5.0424 5.0596 5.0639 5.0732 5.0902 5.1440 5.1523 5.7748 5.7753 5.8002 5.8043 6.4133 6.4136 8.4893 8.4897 8.6131 8.6198 8.8173 8.8174 9.2361 9.2389 9.2975 9.3038 11.4029 11.4077 11.4155 11.4196 k = 0.4750 0.4750-0.0000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3691 -6.3689 -6.2259 -6.2219 -6.2019 -6.2012 -6.1049 -6.1006 1.6569 1.6709 1.7892 1.7930 1.8585 1.8672 2.7493 2.7585 2.8054 2.8630 2.8766 2.8803 2.9010 2.9257 2.9414 2.9729 2.9780 2.9984 3.2903 3.2961 3.4804 3.4883 3.5039 3.5151 4.0791 4.0822 4.3218 4.3341 4.3363 4.3475 4.4148 4.4253 4.5016 4.5052 4.5279 4.5412 4.5907 4.6218 4.9551 4.9699 5.0107 5.0384 5.0627 5.0638 5.0783 5.0956 5.1475 5.1619 5.7761 5.7770 5.7988 5.8070 6.4067 6.4074 8.4903 8.4911 8.6061 8.6195 8.8109 8.8110 9.2311 9.2375 9.2925 9.3040 11.3902 11.4028 11.4320 11.4434 k = 0.4625 0.4625-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3794 -6.3792 -6.2238 -6.2183 -6.1997 -6.1985 -6.1009 -6.0947 1.6465 1.6657 1.7891 1.7967 1.8619 1.8752 2.7346 2.7534 2.7912 2.8419 2.8737 2.8794 2.9067 2.9284 2.9544 2.9712 2.9785 3.0238 3.2890 3.2977 3.4848 3.4962 3.5107 3.5270 4.0778 4.0824 4.3145 4.3329 4.3361 4.3521 4.4128 4.4278 4.5000 4.5052 4.5217 4.5409 4.5904 4.6361 4.9487 4.9668 5.0009 5.0345 5.0558 5.0679 5.0882 5.0959 5.1576 5.1749 5.7784 5.7796 5.7979 5.8102 6.3961 6.3972 8.4921 8.4933 8.5970 8.6168 8.8007 8.8007 9.2229 9.2346 9.2872 9.3021 11.3716 11.3908 11.4625 11.4805 k = 0.4500 0.4500-0.0000 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3927 -6.3926 -6.2207 -6.2143 -6.1967 -6.1949 -6.0952 -6.0875 1.6348 1.6579 1.7860 1.7971 1.8705 1.8872 2.7128 2.7431 2.7828 2.8203 2.8703 2.8778 2.9130 2.9325 2.9593 2.9671 2.9918 3.0505 3.2878 3.2995 3.4901 3.5048 3.5222 3.5428 4.0764 4.0822 4.3070 4.3316 4.3356 4.3558 4.4110 4.4296 4.4983 4.5049 4.5152 4.5397 4.5929 4.6520 4.9405 4.9553 5.0001 5.0325 5.0497 5.0718 5.0923 5.0948 5.1724 5.1914 5.7816 5.7830 5.7975 5.8137 6.3819 6.3836 8.4946 8.4960 8.5859 8.6117 8.7869 8.7870 9.2111 9.2299 9.2819 9.2982 11.3472 11.3722 11.5051 11.5296 k = 0.4375 0.4375-0.0000 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9301 -23.9301 -23.9285 -23.9285 -6.4085 -6.4084 -6.2168 -6.2100 -6.1931 -6.1906 -6.0881 -6.0793 1.6222 1.6483 1.7794 1.7929 1.8852 1.9033 2.6866 2.7247 2.7780 2.8049 2.8665 2.8756 2.9186 2.9377 2.9567 2.9622 3.0155 3.0772 3.2866 3.3016 3.4958 3.5139 3.5380 3.5618 4.0747 4.0816 4.2995 4.3302 4.3350 4.3586 4.4093 4.4302 4.4970 4.5044 4.5089 4.5377 4.5982 4.6692 4.9308 4.9396 5.0049 5.0323 5.0447 5.0755 5.0865 5.0983 5.1900 5.2106 5.7856 5.7870 5.7975 5.8173 6.3646 6.3670 8.4976 8.4991 8.5732 8.6043 8.7703 8.7705 9.1960 9.2234 9.2768 9.2925 11.3172 11.3472 11.5584 11.5896 k = 0.4250 0.4250-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9301 -23.9301 -23.9285 -23.9285 -6.4263 -6.4260 -6.2123 -6.2052 -6.1887 -6.1857 -6.0801 -6.0704 1.6089 1.6374 1.7696 1.7843 1.9048 1.9228 2.6579 2.6984 2.7753 2.7966 2.8624 2.8729 2.9236 2.9439 2.9532 2.9575 3.0424 3.1037 3.2857 3.3040 3.5023 3.5236 3.5569 3.5831 4.0729 4.0807 4.2921 4.3289 4.3342 4.3606 4.4076 4.4293 4.4957 4.5033 4.5036 4.5353 4.6061 4.6873 4.9199 4.9229 5.0117 5.0319 5.0429 5.0772 5.0814 5.0991 5.2091 5.2315 5.7902 5.7917 5.7978 5.8208 6.3449 6.3483 8.5012 8.5022 8.5596 8.5950 8.7513 8.7519 9.1779 9.2149 9.2716 9.2853 11.2816 11.3158 11.6204 11.6586 k = 0.4125 0.4125-0.0000 ( 6812 PWs) bands (ev): -48.3761 -48.3761 -26.0093 -26.0093 -23.9301 -23.9301 -23.9285 -23.9285 -6.4456 -6.4451 -6.2072 -6.2001 -6.1838 -6.1803 -6.0716 -6.0613 1.5951 1.6252 1.7569 1.7722 1.9281 1.9453 2.6277 2.6671 2.7742 2.7931 2.8581 2.8697 2.9271 2.9490 2.9517 2.9554 3.0705 3.1299 3.2850 3.3067 3.5094 3.5337 3.5782 3.6059 4.0710 4.0792 4.2848 4.3277 4.3333 4.3617 4.4057 4.4268 4.4927 4.5003 4.5027 4.5329 4.6164 4.7060 4.9062 4.9082 5.0193 5.0286 5.0462 5.0702 5.0845 5.0980 5.2288 5.2531 5.7956 5.7967 5.7979 5.8239 6.3238 6.3283 8.5036 8.5049 8.5466 8.5840 8.7306 8.7317 9.1575 9.2040 9.2658 9.2769 11.2405 11.2782 11.6891 11.7346 k = 0.4000 0.4000-0.0000 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9300 -23.9300 -23.9284 -23.9284 -6.4661 -6.4654 -6.2016 -6.1944 -6.1783 -6.1745 -6.0627 -6.0520 1.5805 1.6118 1.7416 1.7573 1.9542 1.9702 2.5965 2.6333 2.7746 2.7924 2.8536 2.8665 2.9278 2.9467 2.9543 2.9624 3.0992 3.1561 3.2847 3.3100 3.5173 3.5443 3.6010 3.6296 4.0689 4.0773 4.2777 4.3268 4.3325 4.3623 4.4034 4.4228 4.4879 4.5004 4.5017 4.5308 4.6291 4.7250 4.8903 4.8961 5.0241 5.0268 5.0526 5.0615 5.0897 5.0956 5.2489 5.2752 5.7970 5.8016 5.8021 5.8267 6.3021 6.3081 8.5000 8.5083 8.5381 8.5719 8.7089 8.7108 9.1353 9.1910 9.2590 9.2673 11.1943 11.2345 11.7617 11.8149 k = 0.3875 0.3875-0.0000 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0092 -26.0092 -23.9299 -23.9299 -23.9284 -23.9284 -6.4874 -6.4867 -6.1955 -6.1883 -6.1722 -6.1681 -6.0539 -6.0428 1.5652 1.5972 1.7241 1.7399 1.9824 1.9972 2.5646 2.5982 2.7769 2.7935 2.8491 2.8635 2.9258 2.9429 2.9609 2.9724 3.1282 3.1820 3.2848 3.3138 3.5258 3.5551 3.6246 3.6537 4.0666 4.0748 4.2705 4.3261 4.3318 4.3623 4.4004 4.4175 4.4827 4.5004 4.5020 4.5292 4.6436 4.7439 4.8752 4.8839 5.0192 5.0329 5.0529 5.0601 5.0925 5.0961 5.2690 5.2970 5.7947 5.8050 5.8098 5.8299 6.2810 6.2887 8.4883 8.5103 8.5369 8.5597 8.6867 8.6897 9.1118 9.1757 9.2509 9.2567 11.1430 11.1850 11.8352 11.8965 k = 0.3750 0.3750-0.0000 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0091 -26.0091 -23.9299 -23.9299 -23.9284 -23.9284 -6.5094 -6.5086 -6.1889 -6.1817 -6.1657 -6.1614 -6.0451 -6.0339 1.5491 1.5814 1.7045 1.7204 2.0125 2.0259 2.5323 2.5625 2.7814 2.7959 2.8446 2.8611 2.9229 2.9395 2.9701 2.9840 3.1573 3.2077 3.2855 3.3183 3.5347 3.5662 3.6487 3.6777 4.0642 4.0718 4.2637 4.3259 4.3314 4.3619 4.3967 4.4109 4.4781 4.4993 4.5045 4.5287 4.6597 4.7623 4.8616 4.8719 5.0144 5.0344 5.0474 5.0670 5.0903 5.1040 5.2892 5.3185 5.7899 5.8043 5.8190 5.8356 6.2616 6.2714 8.4716 8.5088 8.5404 8.5495 8.6647 8.6693 9.0873 9.1583 9.2413 9.2448 11.0870 11.1301 11.9058 11.9755 k = 0.3625 0.3625-0.0000 ( 6798 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9298 -23.9298 -23.9284 -23.9284 -6.5319 -6.5310 -6.1819 -6.1746 -6.1586 -6.1542 -6.0367 -6.0253 1.5320 1.5644 1.6830 1.6990 2.0440 2.0561 2.4998 2.5266 2.7881 2.7987 2.8401 2.8599 2.9199 2.9363 2.9811 2.9968 3.1860 3.2329 3.2871 3.3238 3.5440 3.5774 3.6728 3.7013 4.0616 4.0682 4.2569 4.3258 4.3310 4.3611 4.3917 4.4033 4.4741 4.4982 4.5078 4.5290 4.6767 4.7791 4.8502 4.8602 5.0094 5.0271 5.0488 5.0695 5.0923 5.1133 5.3093 5.3393 5.7819 5.7981 5.8301 5.8447 6.2448 6.2570 8.4527 8.5011 8.5435 8.5454 8.6435 8.6504 9.0620 9.1390 9.2298 9.2315 11.0266 11.0700 11.9684 12.0451 k = 0.3500 0.3500-0.0000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9297 -23.9297 -23.9283 -23.9283 -6.5547 -6.5538 -6.1743 -6.1670 -6.1511 -6.1467 -6.0286 -6.0172 1.5140 1.5460 1.6598 1.6758 2.0766 2.0876 2.4673 2.4910 2.7971 2.8014 2.8358 2.8603 2.9174 2.9335 2.9934 3.0108 3.2140 3.2565 3.2908 3.3305 3.5536 3.5885 3.6965 3.7242 4.0587 4.0641 4.2505 4.3259 4.3309 4.3602 4.3856 4.3951 4.4710 4.4978 4.5119 4.5304 4.6944 4.7917 4.8435 4.8489 5.0044 5.0166 5.0519 5.0667 5.0998 5.1236 5.3295 5.3596 5.7700 5.7866 5.8433 5.8566 6.2314 6.2461 8.4330 8.4879 8.5403 8.5500 8.6244 8.6346 9.0362 9.1180 9.2165 9.2167 10.9622 11.0053 12.0125 12.0611 k = 0.3375 0.3375-0.0000 ( 6814 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9296 -23.9296 -23.9283 -23.9283 -6.5777 -6.5769 -6.1664 -6.1590 -6.1432 -6.1387 -6.0210 -6.0097 1.4951 1.5264 1.6352 1.6510 2.1102 2.1200 2.4350 2.4557 2.8031 2.8082 2.8319 2.8628 2.9160 2.9312 3.0069 3.0260 3.2406 3.2741 3.3011 3.3394 3.5633 3.5995 3.7196 3.7463 4.0557 4.0594 4.2446 4.3256 4.3306 4.3593 4.3783 4.3868 4.4689 4.4983 4.5169 4.5328 4.7123 4.7956 4.8382 4.8458 4.9990 5.0053 5.0546 5.0617 5.1093 5.1341 5.3501 5.3796 5.7540 5.7703 5.8586 5.8709 6.2220 6.2392 8.4132 8.4718 8.5360 8.5515 8.6096 8.6232 9.0098 9.0954 9.2002 9.2011 10.8940 10.9364 12.0264 12.0559 k = 0.3250 0.3250-0.0000 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0090 -26.0090 -23.9295 -23.9295 -23.9283 -23.9283 -6.6009 -6.6000 -6.1581 -6.1507 -6.1349 -6.1304 -6.0138 -6.0026 1.4752 1.5056 1.6092 1.6248 2.1443 2.1533 2.4031 2.4211 2.8036 2.8190 2.8303 2.8666 2.9168 2.9296 3.0215 3.0422 3.2645 3.2823 3.3215 3.3512 3.5730 3.6104 3.7419 3.7674 4.0524 4.0543 4.2395 4.3238 4.3299 4.3587 4.3704 4.3796 4.4678 4.4997 4.5227 4.5362 4.7300 4.7912 4.8282 4.8568 4.9931 4.9935 5.0564 5.0570 5.1191 5.1444 5.3717 5.3996 5.7341 5.7499 5.8761 5.8873 6.2166 6.2360 8.3938 8.4546 8.5283 8.5466 8.6025 8.6175 8.9830 9.0715 9.1818 9.1836 10.8225 10.8638 12.0270 12.0503 k = 0.3125 0.3125-0.0000 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0090 -26.0090 -23.9294 -23.9294 -23.9283 -23.9282 -6.6239 -6.6231 -6.1494 -6.1419 -6.1263 -6.1218 -6.0072 -5.9962 1.4544 1.4837 1.5820 1.5974 2.1786 2.1870 2.3721 2.3873 2.8028 2.8204 2.8395 2.8701 2.9215 2.9293 3.0371 3.0593 3.2846 3.2866 3.3463 3.3674 3.5827 3.6209 3.7630 3.7872 4.0487 4.0487 4.2352 4.3194 4.3276 4.3590 4.3632 4.3747 4.4675 4.5020 4.5295 4.5405 4.7470 4.7832 4.8194 4.8715 4.9815 4.9864 5.0515 5.0592 5.1284 5.1537 5.3944 5.4200 5.7106 5.7260 5.8956 5.9055 6.2148 6.2362 8.3749 8.4371 8.5171 8.5349 8.6033 8.6170 8.9558 9.0463 9.1616 9.1641 10.7480 10.7878 12.0254 12.0453 k = 0.3000 0.3000-0.0000 ( 6793 PWs) bands (ev): -48.3761 -48.3761 -26.0089 -26.0089 -23.9293 -23.9293 -23.9282 -23.9282 -6.6469 -6.6461 -6.1404 -6.1329 -6.1173 -6.1130 -6.0012 -5.9903 1.4328 1.4608 1.5539 1.5689 2.2123 2.2205 2.3427 2.3547 2.8010 2.8171 2.8533 2.8715 2.9312 2.9315 3.0534 3.0772 3.2903 3.3003 3.3723 3.3883 3.5922 3.6312 3.7829 3.8056 4.0428 4.0447 4.2321 4.3111 4.3220 4.3584 4.3606 4.3728 4.4679 4.5053 4.5370 4.5456 4.7620 4.7744 4.8126 4.8868 4.9695 4.9787 5.0476 5.0611 5.1366 5.1616 5.4190 5.4415 5.6844 5.6994 5.9169 5.9253 6.2161 6.2392 8.3570 8.4198 8.5037 8.5200 8.6085 8.6200 8.9282 9.0199 9.1396 9.1425 10.6709 10.7089 12.0239 12.0411 k = 0.2875 0.2875-0.0000 ( 6797 PWs) bands (ev): -48.3761 -48.3761 -26.0089 -26.0089 -23.9292 -23.9292 -23.9282 -23.9282 -6.6696 -6.6689 -6.1311 -6.1236 -6.1081 -6.1039 -5.9956 -5.9850 1.4105 1.4371 1.5249 1.5396 2.2422 2.2524 2.3177 2.3249 2.7987 2.8135 2.8650 2.8706 2.9383 2.9457 3.0705 3.0958 3.2940 3.3123 3.3989 3.4130 3.6016 3.6410 3.8012 3.8225 4.0365 4.0402 4.2302 4.2996 4.3124 4.3569 4.3635 4.3738 4.4690 4.5094 4.5454 4.5517 4.7656 4.7724 4.8104 4.9013 4.9583 4.9701 5.0449 5.0630 5.1432 5.1676 5.4456 5.4645 5.6560 5.6710 5.9397 5.9464 6.2199 6.2443 8.3401 8.4031 8.4895 8.5043 8.6152 8.6249 8.9001 8.9924 9.1157 9.1189 10.5912 10.6275 12.0231 12.0377 k = 0.2750 0.2750-0.0000 ( 6805 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9291 -23.9291 -23.9282 -23.9282 -6.6920 -6.6913 -6.1217 -6.1142 -6.0987 -6.0946 -5.9906 -5.9802 1.3877 1.4127 1.4953 1.5095 2.2541 2.2697 2.3106 2.3114 2.7961 2.8098 2.8680 2.8722 2.9516 2.9639 3.0883 3.1151 3.2981 3.3218 3.4256 3.4403 3.6108 3.6504 3.8179 3.8378 4.0301 4.0351 4.2296 4.2854 4.3000 4.3581 4.3672 4.3774 4.4707 4.5139 4.5545 4.5586 4.7574 4.7748 4.8159 4.9126 4.9499 4.9607 5.0436 5.0650 5.1481 5.1718 5.4745 5.4896 5.6263 5.6415 5.9637 5.9686 6.2255 6.2508 8.3246 8.3872 8.4752 8.4889 8.6224 8.6306 8.8717 8.9639 9.0902 9.0935 10.5094 10.5437 12.0231 12.0352 k = 0.2625 0.2625-0.0000 ( 6787 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9290 -23.9290 -23.9281 -23.9281 -6.7139 -6.7133 -6.1121 -6.1046 -6.0892 -6.0852 -5.9861 -5.9760 1.3645 1.3879 1.4652 1.4791 2.2373 2.2506 2.3335 2.3345 2.7935 2.8063 2.8643 2.8746 2.9710 2.9847 3.1067 3.1349 3.3026 3.3300 3.4524 3.4690 3.6199 3.6594 3.8329 3.8514 4.0235 4.0296 4.2300 4.2695 4.2865 4.3610 4.3718 4.3832 4.4731 4.5190 4.5643 4.5665 4.7498 4.7715 4.8270 4.9149 4.9501 4.9510 5.0437 5.0670 5.1511 5.1742 5.5057 5.5170 5.5961 5.6118 5.9885 5.9917 6.2324 6.2583 8.3104 8.3724 8.4617 8.4744 8.6292 8.6364 8.8429 8.9346 9.0631 9.0665 10.4255 10.4580 12.0241 12.0337 k = 0.2500 0.2500-0.0000 ( 6767 PWs) bands (ev): -48.3759 -48.3759 -26.0087 -26.0087 -23.9289 -23.9289 -23.9281 -23.9281 -6.7354 -6.7349 -6.1024 -6.0949 -6.0795 -6.0757 -5.9820 -5.9723 1.3410 1.3628 1.4349 1.4483 2.2121 2.2229 2.3656 2.3663 2.7908 2.8028 2.8599 2.8737 2.9947 3.0074 3.1256 3.1550 3.3075 3.3372 3.4790 3.4982 3.6288 3.6679 3.8460 3.8633 4.0169 4.0235 4.2297 4.2524 4.2746 4.3650 4.3775 4.3906 4.4760 4.5243 4.5747 4.5753 4.7430 4.7662 4.8394 4.9075 4.9414 4.9596 5.0450 5.0691 5.1524 5.1751 5.5374 5.5448 5.5678 5.5841 6.0137 6.0152 6.2399 6.2661 8.2978 8.3589 8.4489 8.4609 8.6352 8.6418 8.8138 8.9047 9.0348 9.0381 10.3397 10.3703 12.0259 12.0331 k = 0.2375 0.2375-0.0000 ( 6787 PWs) bands (ev): -48.3760 -48.3760 -26.0087 -26.0087 -23.9288 -23.9288 -23.9280 -23.9280 -6.7564 -6.7559 -6.0926 -6.0852 -6.0698 -6.0662 -5.9784 -5.9691 1.3175 1.3377 1.4046 1.4174 2.1859 2.1948 2.3986 2.3995 2.7882 2.7995 2.8549 2.8709 3.0208 3.0312 3.1449 3.1753 3.3129 3.3440 3.5053 3.5275 3.6376 3.6761 3.8571 3.8733 4.0101 4.0167 4.2243 4.2342 4.2687 4.3697 4.3843 4.3992 4.4793 4.5295 4.5849 4.5856 4.7368 4.7606 4.8507 4.8967 4.9329 4.9720 5.0475 5.0712 5.1519 5.1748 5.5324 5.5434 5.5826 5.5847 6.0389 6.0391 6.2477 6.2739 8.2868 8.3467 8.4373 8.4485 8.6398 8.6462 8.7844 8.8742 9.0054 9.0086 10.2523 10.2811 12.0280 12.0334 k = 0.2250 0.2250-0.0000 ( 6787 PWs) bands (ev): -48.3760 -48.3760 -26.0086 -26.0086 -23.9287 -23.9287 -23.9280 -23.9280 -6.7766 -6.7762 -6.0829 -6.0756 -6.0600 -6.0567 -5.9752 -5.9663 1.2941 1.3127 1.3744 1.3867 2.1599 2.1674 2.4313 2.4325 2.7857 2.7963 2.8498 2.8670 3.0483 3.0559 3.1644 3.1956 3.3187 3.3504 3.5311 3.5564 3.6464 3.6839 3.8664 3.8815 4.0033 4.0095 4.2116 4.2153 4.2718 4.3752 4.3922 4.4088 4.4832 4.5346 4.5954 4.5967 4.7316 4.7554 4.8590 4.8850 4.9272 4.9851 5.0510 5.0733 5.1502 5.1739 5.5030 5.5173 5.6176 5.6203 6.0626 6.0643 6.2554 6.2813 8.2776 8.3361 8.4268 8.4374 8.6428 8.6495 8.7549 8.8437 8.9753 8.9782 10.1633 10.1903 12.0291 12.0346 k = 0.2125 0.2125-0.0000 ( 6791 PWs) bands (ev): -48.3761 -48.3761 -26.0086 -26.0086 -23.9286 -23.9286 -23.9280 -23.9280 -6.7962 -6.7959 -6.0732 -6.0661 -6.0504 -6.0473 -5.9724 -5.9640 1.2709 1.2880 1.3445 1.3562 2.1346 2.1409 2.4633 2.4650 2.7834 2.7933 2.8445 2.8624 3.0764 3.0809 3.1841 3.2159 3.3251 3.3566 3.5560 3.5846 3.6553 3.6914 3.8740 3.8880 3.9965 4.0017 4.1944 4.1957 4.2812 4.3813 4.4011 4.4195 4.4876 4.5393 4.6065 4.6079 4.7272 4.7507 4.8622 4.8732 4.9266 4.9980 5.0556 5.0752 5.1474 5.1726 5.4739 5.4890 5.6558 5.6610 6.0860 6.0890 6.2627 6.2882 8.2701 8.3271 8.4175 8.4275 8.6436 8.6512 8.7254 8.8133 8.9447 8.9474 10.0728 10.0983 12.0248 12.0366 k = 0.2000 0.2000-0.0000 ( 6793 PWs) bands (ev): -48.3761 -48.3761 -26.0085 -26.0085 -23.9285 -23.9285 -23.9279 -23.9279 -6.8150 -6.8147 -6.0637 -6.0567 -6.0409 -6.0380 -5.9699 -5.9620 1.2483 1.2639 1.3151 1.3263 2.1103 2.1155 2.4943 2.4964 2.7812 2.7904 2.8391 2.8574 3.1045 3.1058 3.2039 3.2358 3.3321 3.3626 3.5799 3.6119 3.6645 3.6987 3.8798 3.8929 3.9896 3.9935 4.1750 4.1756 4.2944 4.3879 4.4106 4.4312 4.4923 4.5437 4.6182 4.6190 4.7238 4.7469 4.8594 4.8615 4.9320 5.0106 5.0610 5.0768 5.1438 5.1716 5.4456 5.4612 5.6964 5.7041 6.1089 6.1130 6.2694 6.2943 8.2646 8.3199 8.4094 8.4189 8.6417 8.6510 8.6962 8.7836 8.9141 8.9165 9.9812 10.0051 12.0123 12.0390 k = 0.1875 0.1875-0.0000 ( 6795 PWs) bands (ev): -48.3761 -48.3761 -26.0085 -26.0085 -23.9284 -23.9284 -23.9279 -23.9279 -6.8330 -6.8327 -6.0544 -6.0477 -6.0315 -6.0289 -5.9678 -5.9604 1.2262 1.2404 1.2864 1.2970 2.0869 2.0913 2.5242 2.5267 2.7793 2.7877 2.8338 2.8522 3.1304 3.1320 3.2237 3.2553 3.3395 3.3685 3.6025 3.6380 3.6741 3.7058 3.8843 3.8963 3.9826 3.9850 4.1544 4.1552 4.3102 4.3951 4.4203 4.4439 4.4975 4.5476 4.6298 4.6302 4.7213 4.7438 4.8502 4.8522 4.9421 5.0225 5.0671 5.0783 5.1398 5.1712 5.4184 5.4343 5.7392 5.7490 6.1310 6.1361 6.2755 6.2995 8.2610 8.3146 8.4025 8.4114 8.6365 8.6483 8.6679 8.7553 8.8837 8.8857 9.8885 9.9110 11.9964 12.0279 k = 0.1750 0.1750-0.0000 ( 6797 PWs) bands (ev): -48.3761 -48.3761 -26.0085 -26.0085 -23.9284 -23.9284 -23.9279 -23.9279 -6.8501 -6.8499 -6.0453 -6.0390 -6.0225 -6.0201 -5.9658 -5.9590 1.2049 1.2178 1.2586 1.2686 2.0647 2.0683 2.5527 2.5555 2.7775 2.7852 2.8286 2.8469 3.1543 3.1584 3.2434 3.2741 3.3476 3.3742 3.6235 3.6626 3.6845 3.7130 3.8874 3.8984 3.9754 3.9763 4.1333 4.1344 4.3280 4.4029 4.4301 4.4574 4.5030 4.5508 4.6401 4.6423 4.7199 4.7416 4.8393 4.8429 4.9548 5.0335 5.0739 5.0798 5.1357 5.1718 5.3925 5.4085 5.7839 5.7955 6.1522 6.1579 6.2807 6.3036 8.2596 8.3113 8.3968 8.4051 8.6273 8.6352 8.6483 8.7289 8.8540 8.8555 9.7950 9.8162 11.9806 12.0079 k = 0.1625 0.1625-0.0000 ( 6797 PWs) bands (ev): -48.3761 -48.3761 -26.0084 -26.0084 -23.9283 -23.9283 -23.9279 -23.9279 -6.8662 -6.8660 -6.0366 -6.0307 -6.0137 -6.0115 -5.9641 -5.9579 1.1845 1.1961 1.2319 1.2412 2.0437 2.0466 2.5797 2.5826 2.7760 2.7830 2.8236 2.8416 3.1773 3.1835 3.2628 3.2923 3.3561 3.3798 3.6426 3.6856 3.6957 3.7203 3.8895 3.8995 3.9674 3.9681 4.1120 4.1135 4.3470 4.4112 4.4397 4.4714 4.5088 4.5533 4.6498 4.6544 4.7193 4.7403 4.8288 4.8325 4.9690 5.0429 5.0812 5.0819 5.1320 5.1736 5.3680 5.3840 5.8301 5.8431 6.1722 6.1783 6.2851 6.3067 8.2603 8.3102 8.3923 8.4001 8.6089 8.6139 8.6405 8.7052 8.8253 8.8261 9.7011 9.7210 11.9659 11.9898 k = 0.1500 0.1500-0.0000 ( 6809 PWs) bands (ev): -48.3762 -48.3762 -26.0084 -26.0084 -23.9282 -23.9282 -23.9278 -23.9278 -6.8814 -6.8812 -6.0283 -6.0228 -6.0053 -6.0034 -5.9626 -5.9571 1.1652 1.1756 1.2064 1.2151 2.0240 2.0262 2.6050 2.6080 2.7748 2.7810 2.8189 2.8364 3.1990 3.2067 3.2819 3.3098 3.3651 3.3852 3.6599 3.7066 3.7079 3.7279 3.8908 3.8997 3.9585 3.9604 4.0904 4.0925 4.3669 4.4200 4.4490 4.4853 4.5149 4.5551 4.6589 4.6661 4.7197 4.7398 4.8187 4.8217 4.9838 5.0498 5.0855 5.0888 5.1290 5.1766 5.3450 5.3607 5.8774 5.8915 6.1909 6.1971 6.2886 6.3087 8.2633 8.3114 8.3889 8.3961 8.5824 8.5964 8.6319 8.6839 8.7979 8.7980 9.6070 9.6256 11.9527 11.9736 k = 0.1375 0.1375-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9281 -23.9281 -23.9278 -23.9278 -6.8955 -6.8954 -6.0205 -6.0155 -5.9973 -5.9956 -5.9612 -5.9563 1.1470 1.1562 1.1823 1.1903 2.0055 2.0073 2.6283 2.6313 2.7739 2.7795 2.8145 2.8314 3.2194 3.2278 3.3006 3.3266 3.3744 3.3905 3.6755 3.7207 3.7248 3.7369 3.8915 3.8994 3.9497 3.9525 4.0690 4.0716 4.3871 4.4293 4.4580 4.4985 4.5212 4.5562 4.6673 4.6772 4.7210 4.7400 4.8092 4.8109 4.9987 5.0534 5.0915 5.0965 5.1276 5.1807 5.3237 5.3390 5.9255 5.9402 6.2082 6.2141 6.2913 6.3098 8.2688 8.3150 8.3867 8.3932 8.5568 8.5760 8.6216 8.6644 8.7713 8.7722 9.5133 9.5307 11.9412 11.9595 k = 0.1250 0.1250-0.0000 ( 6799 PWs) bands (ev): -48.3761 -48.3761 -26.0083 -26.0083 -23.9280 -23.9280 -23.9278 -23.9278 -6.9085 -6.9084 -6.0132 -6.0088 -5.9898 -5.9883 -5.9598 -5.9558 1.1300 1.1382 1.1598 1.1671 1.9884 1.9898 2.6496 2.6524 2.7735 2.7785 2.8106 2.8266 3.2381 3.2466 3.3188 3.3426 3.3838 3.3956 3.6899 3.7338 3.7381 3.7495 3.8916 3.8987 3.9411 3.9444 4.0478 4.0508 4.4071 4.4391 4.4666 4.5106 4.5277 4.5566 4.6754 4.6876 4.7231 4.7406 4.8001 4.8002 5.0127 5.0543 5.0994 5.1038 5.1286 5.1860 5.3041 5.3189 5.9737 5.9887 6.2239 6.2293 6.2934 6.3099 8.2767 8.3211 8.3855 8.3915 8.5327 8.5542 8.6096 8.6459 8.7463 8.7482 9.4205 9.4365 11.9314 11.9474 k = 0.1125 0.1125-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9280 -23.9280 -23.9278 -23.9278 -6.9204 -6.9203 -6.0065 -6.0027 -5.9828 -5.9815 -5.9586 -5.9552 1.1144 1.1216 1.1390 1.1456 1.9728 1.9738 2.6685 2.6710 2.7736 2.7781 2.8070 2.8221 3.2550 3.2629 3.3362 3.3580 3.3930 3.4006 3.7038 3.7467 3.7477 3.7641 3.8913 3.8977 3.9328 3.9361 4.0270 4.0301 4.4263 4.4495 4.4748 4.5209 4.5344 4.5563 4.6832 4.6969 4.7259 4.7413 4.7900 4.7915 5.0246 5.0534 5.1081 5.1106 5.1329 5.1920 5.2865 5.3005 6.0214 6.0363 6.2379 6.2424 6.2948 6.3092 8.2873 8.3296 8.3855 8.3908 8.5103 8.5323 8.5966 8.6278 8.7230 8.7260 9.3290 9.3436 11.9234 11.9373 k = 0.1000 0.1000-0.0000 ( 6795 PWs) bands (ev): -48.3761 -48.3761 -26.0082 -26.0082 -23.9279 -23.9279 -23.9277 -23.9277 -6.9311 -6.9311 -6.0004 -5.9974 -5.9764 -5.9753 -5.9573 -5.9548 1.1003 1.1066 1.1200 1.1260 1.9587 1.9594 2.6849 2.6869 2.7744 2.7785 2.8040 2.8179 3.2701 3.2769 3.3528 3.3726 3.4017 3.4055 3.7174 3.7567 3.7590 3.7782 3.8908 3.8965 3.9248 3.9276 4.0067 4.0098 4.4444 4.4605 4.4825 4.5295 4.5409 4.5555 4.6909 4.7052 4.7292 4.7420 4.7803 4.7833 5.0335 5.0516 5.1167 5.1172 5.1405 5.1986 5.2710 5.2841 6.0680 6.0824 6.2503 6.2535 6.2959 6.3079 8.3005 8.3406 8.3866 8.3911 8.4898 8.5113 8.5831 8.6101 8.7015 8.7055 9.2396 9.2525 11.9170 11.9290 k = 0.0875 0.0875-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9278 -23.9277 -23.9277 -6.9407 -6.9406 -5.9951 -5.9928 -5.9706 -5.9697 -5.9561 -5.9543 1.0877 1.0930 1.1030 1.1082 1.9461 1.9465 2.6983 2.6999 2.7761 2.7799 2.8015 2.8141 3.2833 3.2885 3.3683 3.3863 3.4095 3.4101 3.7311 3.7659 3.7705 3.7907 3.8901 3.8951 3.9174 3.9192 3.9870 3.9898 4.4606 4.4722 4.4897 4.5362 4.5466 4.5542 4.6986 4.7123 4.7328 4.7424 4.7714 4.7756 5.0390 5.0494 5.1239 5.1245 5.1509 5.2055 5.2577 5.2698 6.1125 6.1260 6.2609 6.2625 6.2967 6.3059 8.3160 8.3535 8.3890 8.3924 8.4715 8.4918 8.5701 8.5935 8.6819 8.6867 9.1528 9.1641 11.9121 11.9223 k = 0.0750 0.0750-0.0000 ( 6799 PWs) bands (ev): -48.3761 -48.3761 -26.0082 -26.0082 -23.9278 -23.9278 -23.9277 -23.9277 -6.9490 -6.9490 -5.9905 -5.9889 -5.9655 -5.9648 -5.9549 -5.9537 1.0767 1.0812 1.0881 1.0926 1.9350 1.9353 2.7089 2.7099 2.7789 2.7824 2.7995 2.8106 3.2945 3.2982 3.3827 3.3986 3.4146 3.4163 3.7452 3.7755 3.7812 3.8016 3.8890 3.8935 3.9107 3.9112 3.9680 3.9705 4.4747 4.4849 4.4964 4.5415 4.5513 4.5525 4.7062 4.7183 4.7363 4.7422 4.7637 4.7684 5.0416 5.0471 5.1302 5.1311 5.1633 5.2124 5.2468 5.2578 6.1541 6.1664 6.2695 6.2699 6.2976 6.3038 8.3336 8.3672 8.3931 8.3946 8.4557 8.4745 8.5588 8.5789 8.6643 8.6696 9.0695 9.0788 11.9085 11.9171 k = 0.0625 0.0625-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9277 -23.9277 -23.9277 -6.9561 -6.9561 -5.9868 -5.9857 -5.9612 -5.9605 -5.9538 -5.9532 1.0673 1.0710 1.0753 1.0791 1.9256 1.9258 2.7165 2.7171 2.7825 2.7857 2.7980 2.8075 3.3037 3.3060 3.3955 3.4094 3.4188 3.4220 3.7595 3.7855 3.7910 3.8109 3.8874 3.8911 3.9039 3.9048 3.9502 3.9520 4.4868 4.4977 4.5025 4.5453 4.5505 4.5545 4.7136 4.7234 4.7394 4.7412 4.7576 4.7617 5.0422 5.0449 5.1354 5.1362 5.1768 5.2187 5.2384 5.2481 6.1917 6.2024 6.2745 6.2772 6.2987 6.3017 8.3522 8.3794 8.3975 8.4000 8.4428 8.4598 8.5510 8.5677 8.6489 8.6541 8.9902 8.9976 11.9060 11.9131 k = 0.0500 0.0500-0.0000 ( 6807 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9619 -6.9619 -5.9838 -5.9832 -5.9575 -5.9570 -5.9527 -5.9525 1.0596 1.0625 1.0649 1.0679 1.9179 1.9180 2.7217 2.7220 2.7866 2.7894 2.7970 2.8047 3.3110 3.3123 3.4068 3.4183 3.4226 3.4265 3.7741 3.7959 3.7998 3.8184 3.8852 3.8874 3.8979 3.8997 3.9338 3.9349 4.4975 4.5080 4.5098 4.5478 4.5483 4.5561 4.7204 4.7277 4.7394 4.7417 4.7532 4.7558 5.0418 5.0430 5.1392 5.1397 5.1902 5.2242 5.2324 5.2406 6.2244 6.2331 6.2780 6.2828 6.3000 6.3000 8.3701 8.3880 8.4007 8.4082 8.4339 8.4483 8.5492 8.5621 8.6358 8.6407 8.9160 8.9213 11.9045 11.9101 k = 0.0375 0.0375-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9665 -6.9665 -5.9816 -5.9813 -5.9546 -5.9543 -5.9519 -5.9519 1.0537 1.0558 1.0567 1.0590 1.9118 1.9118 2.7250 2.7251 2.7907 2.7929 2.7965 2.8024 3.3165 3.3171 3.4162 3.4250 3.4260 3.4298 3.7888 3.8063 3.8079 3.8240 3.8824 3.8827 3.8926 3.8946 3.9201 3.9204 4.5070 4.5129 4.5207 4.5462 4.5487 4.5559 4.7265 4.7314 4.7374 4.7427 4.7502 4.7509 5.0409 5.0413 5.1416 5.1419 5.2026 5.2281 5.2286 5.2352 6.2510 6.2572 6.2803 6.2862 6.2998 6.3015 8.3851 8.3942 8.4034 8.4112 8.4315 8.4402 8.5566 8.5650 8.6254 8.6295 8.8476 8.8510 11.9038 11.9079 k = 0.0250 0.0250-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9697 -6.9697 -5.9801 -5.9800 -5.9525 -5.9523 -5.9514 -5.9512 1.0495 1.0509 1.0510 1.0525 1.9074 1.9074 2.7270 2.7270 2.7941 2.7956 2.7965 2.8004 3.3203 3.3205 3.4236 3.4287 3.4295 3.4318 3.8030 3.8150 3.8159 3.8273 3.8783 3.8793 3.8856 3.8880 3.9108 3.9108 4.5147 4.5170 4.5302 4.5446 4.5483 4.5540 4.7316 4.7343 4.7360 4.7417 4.7479 4.7482 5.0400 5.0401 5.1429 5.1430 5.2132 5.2268 5.2300 5.2314 6.2703 6.2738 6.2821 6.2870 6.3018 6.3032 8.3958 8.3993 8.4046 8.4087 8.4327 8.4355 8.5744 8.5784 8.6180 8.6210 8.7869 8.7884 11.9036 11.9063 k = 0.0125 0.0125-0.0000 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9717 -6.9717 -5.9793 -5.9793 -5.9513 -5.9512 -5.9510 -5.9509 1.0472 1.0477 1.0479 1.0484 1.9048 1.9048 2.7280 2.7280 2.7964 2.7969 2.7972 2.7988 3.3225 3.3225 3.4288 3.4307 3.4316 3.4326 3.8156 3.8208 3.8229 3.8277 3.8757 3.8767 3.8780 3.8801 3.9065 3.9065 4.5197 4.5201 4.5383 4.5441 4.5469 4.5503 4.7353 4.7358 4.7364 4.7392 4.7467 4.7467 5.0393 5.0393 5.1435 5.1436 5.2214 5.2263 5.2286 5.2300 6.2814 6.2825 6.2836 6.2863 6.3049 6.3052 8.4022 8.4031 8.4045 8.4059 8.4326 8.4330 8.5985 8.5995 8.6138 8.6153 8.7378 8.7381 11.9038 11.9053 k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.3764 -48.3764 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9724 -6.9724 -5.9790 -5.9790 -5.9508 -5.9508 -5.9508 -5.9508 1.0467 1.0467 1.0467 1.0467 1.9039 1.9039 2.7282 2.7282 2.7976 2.7976 2.7976 2.7976 3.3231 3.3231 3.4317 3.4317 3.4317 3.4317 3.8243 3.8243 3.8243 3.8243 3.8752 3.8752 3.8752 3.8752 3.9053 3.9053 4.5212 4.5212 4.5450 4.5450 4.5450 4.5450 4.7369 4.7369 4.7369 4.7369 4.7461 4.7461 5.0391 5.0391 5.1436 5.1436 5.2269 5.2269 5.2269 5.2269 6.2849 6.2849 6.2849 6.2849 6.3064 6.3064 8.4045 8.4045 8.4045 8.4045 8.4321 8.4321 8.6128 8.6128 8.6128 8.6128 8.7152 8.7152 11.9043 11.9043 k = 0.0000 0.0000 0.0000 ( 6859 PWs) bands (ev): -48.3764 -48.3764 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9724 -6.9724 -5.9790 -5.9790 -5.9508 -5.9508 -5.9508 -5.9508 1.0467 1.0467 1.0467 1.0467 1.9039 1.9039 2.7282 2.7282 2.7976 2.7976 2.7976 2.7976 3.3231 3.3231 3.4317 3.4317 3.4317 3.4317 3.8243 3.8243 3.8243 3.8243 3.8752 3.8752 3.8752 3.8752 3.9053 3.9053 4.5212 4.5212 4.5450 4.5450 4.5450 4.5450 4.7369 4.7369 4.7369 4.7369 4.7461 4.7461 5.0391 5.0391 5.1436 5.1436 5.2269 5.2269 5.2269 5.2269 6.2849 6.2849 6.2849 6.2849 6.3064 6.3064 8.4045 8.4045 8.4045 8.4045 8.4321 8.4321 8.6128 8.6128 8.6128 8.6128 8.7152 8.7152 11.9043 11.9043 k = 0.0102 0.0102 0.0102 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9717 -6.9717 -5.9793 -5.9793 -5.9512 -5.9511 -5.9511 -5.9510 1.0472 1.0478 1.0478 1.0484 1.9048 1.9048 2.7280 2.7280 2.7966 2.7970 2.7970 2.7989 3.3225 3.3225 3.4287 3.4312 3.4312 3.4326 3.8158 3.8219 3.8219 3.8273 3.8764 3.8764 3.8776 3.8801 3.9065 3.9065 4.5199 4.5199 4.5380 4.5455 4.5455 4.5504 4.7357 4.7357 4.7359 4.7394 4.7467 4.7467 5.0393 5.0393 5.1435 5.1435 5.2211 5.2276 5.2276 5.2300 6.2818 6.2818 6.2836 6.2865 6.3051 6.3051 8.4030 8.4030 8.4041 8.4056 8.4328 8.4328 8.5989 8.5989 8.6138 8.6155 8.7380 8.7380 11.9042 11.9056 k = 0.0204 0.0204 0.0204 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9697 -6.9697 -5.9800 -5.9800 -5.9521 -5.9518 -5.9518 -5.9517 1.0498 1.0509 1.0509 1.0522 1.9074 1.9074 2.7270 2.7270 2.7951 2.7951 2.7959 2.8004 3.3204 3.3204 3.4236 3.4294 3.4294 3.4310 3.8045 3.8157 3.8157 3.8246 3.8780 3.8780 3.8871 3.8893 3.9105 3.9105 4.5160 4.5160 4.5295 4.5466 4.5466 4.5541 4.7324 4.7324 4.7363 4.7431 4.7478 4.7478 5.0400 5.0400 5.1430 5.1430 5.2123 5.2296 5.2296 5.2300 6.2712 6.2712 6.2823 6.2882 6.3027 6.3027 8.3990 8.3990 8.4042 8.4072 8.4334 8.4334 8.5760 8.5760 8.6182 8.6216 8.7876 8.7876 11.9058 11.9087 k = 0.0306 0.0306 0.0306 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0081 -26.0081 -23.9277 -23.9277 -23.9277 -23.9277 -6.9665 -6.9665 -5.9814 -5.9814 -5.9536 -5.9531 -5.9531 -5.9530 1.0546 1.0562 1.0562 1.0582 1.9118 1.9118 2.7252 2.7252 2.7922 2.7922 2.7956 2.8023 3.3169 3.3169 3.4164 3.4266 3.4266 3.4271 3.7925 3.8075 3.8075 3.8192 3.8777 3.8777 3.9006 3.9010 3.9181 3.9181 4.5103 4.5103 4.5196 4.5477 4.5477 4.5559 4.7275 4.7275 4.7383 4.7478 4.7490 4.7490 5.0411 5.0411 5.1416 5.1416 5.2007 5.2273 5.2335 5.2335 6.2519 6.2519 6.2812 6.2899 6.3006 6.3006 8.3930 8.3930 8.4051 8.4095 8.4319 8.4319 8.5604 8.5604 8.6261 8.6311 8.8490 8.8490 11.9091 11.9139 k = 0.0408 0.0408 0.0408 ( 6802 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9619 -6.9619 -5.9832 -5.9832 -5.9556 -5.9550 -5.9550 -5.9549 1.0614 1.0635 1.0635 1.0663 1.9179 1.9179 2.7221 2.7221 2.7886 2.7886 2.7955 2.8044 3.3119 3.3119 3.4073 3.4208 3.4226 3.4226 3.7806 3.7985 3.7985 3.8129 3.8746 3.8746 3.9143 3.9161 3.9286 3.9286 4.5032 4.5032 4.5086 4.5483 4.5483 4.5561 4.7212 4.7212 4.7418 4.7503 4.7503 4.7533 5.0423 5.0423 5.1392 5.1392 5.1866 5.2223 5.2399 5.2399 6.2245 6.2245 6.2800 6.2915 6.2988 6.2988 8.3848 8.3848 8.4066 8.4124 8.4281 8.4281 8.5561 8.5561 8.6371 8.6437 8.9180 8.9180 11.9141 11.9211 k = 0.0510 0.0510 0.0510 ( 6805 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9561 -6.9561 -5.9855 -5.9855 -5.9582 -5.9573 -5.9573 -5.9573 1.0703 1.0729 1.0729 1.0765 1.9256 1.9256 2.7175 2.7175 2.7849 2.7849 2.7957 2.8068 3.3055 3.3055 3.3964 3.4121 3.4177 3.4177 3.7693 3.7892 3.7892 3.8067 3.8693 3.8693 3.9289 3.9326 3.9412 3.9412 4.4949 4.4949 4.4965 4.5482 4.5482 4.5546 4.7135 4.7135 4.7466 4.7517 4.7517 4.7595 5.0435 5.0435 5.1357 5.1357 5.1703 5.2151 5.2494 5.2494 6.1903 6.1903 6.2788 6.2929 6.2969 6.2969 8.3741 8.3741 8.4087 8.4159 8.4240 8.4240 8.5619 8.5619 8.6510 8.6591 8.9926 8.9926 11.9209 11.9305 k = 0.0612 0.0612 0.0612 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9277 -23.9277 -23.9277 -23.9277 -6.9490 -6.9490 -5.9884 -5.9884 -5.9613 -5.9602 -5.9601 -5.9601 1.0812 1.0841 1.0841 1.0887 1.9350 1.9350 2.7106 2.7106 2.7815 2.7815 2.7963 2.8095 3.2977 3.2977 3.3838 3.4010 3.4118 3.4118 3.7587 3.7800 3.7800 3.8007 3.8620 3.8620 3.9444 3.9497 3.9549 3.9549 4.4835 4.4858 4.4858 4.5474 4.5474 4.5517 4.7047 4.7047 4.7525 4.7531 4.7531 4.7661 5.0444 5.0444 5.1314 5.1314 5.1523 5.2064 5.2619 5.2619 6.1499 6.1499 6.2772 6.2939 6.2946 6.2946 8.3621 8.3621 8.4116 8.4202 8.4215 8.4215 8.5748 8.5748 8.6676 8.6771 9.0716 9.0716 11.9293 11.9409 k = 0.0714 0.0714 0.0714 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9278 -23.9278 -23.9278 -6.9407 -6.9407 -5.9917 -5.9917 -5.9648 -5.9636 -5.9633 -5.9633 1.0940 1.0973 1.0973 1.1028 1.9460 1.9460 2.7011 2.7011 2.7789 2.7789 2.7972 2.8124 3.2885 3.2885 3.3698 3.3876 3.4051 3.4051 3.7489 3.7709 3.7709 3.7950 3.8530 3.8530 3.9609 3.9672 3.9693 3.9693 4.4697 4.4758 4.4758 4.5459 4.5459 4.5476 4.6947 4.6947 4.7547 4.7547 4.7594 4.7731 5.0445 5.0445 5.1268 5.1268 5.1331 5.1964 5.2777 5.2777 6.1048 6.1048 6.2752 6.2918 6.2918 6.2944 8.3503 8.3503 8.4152 8.4210 8.4210 8.4252 8.5925 8.5925 8.6864 8.6973 9.1538 9.1538 11.9390 11.9520 k = 0.0816 0.0816 0.0816 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0082 -26.0082 -23.9278 -23.9278 -23.9278 -23.9278 -6.9311 -6.9311 -5.9955 -5.9955 -5.9689 -5.9675 -5.9670 -5.9670 1.1086 1.1122 1.1122 1.1188 1.9585 1.9585 2.6887 2.6887 2.7773 2.7773 2.7984 2.8156 3.2779 3.2779 3.3543 3.3720 3.3976 3.3976 3.7399 3.7619 3.7619 3.7897 3.8424 3.8424 3.9781 3.9841 3.9841 3.9848 4.4552 4.4650 4.4650 4.5424 4.5436 4.5436 4.6839 4.6839 4.7563 4.7563 4.7671 4.7804 5.0438 5.0438 5.1132 5.1226 5.1226 5.1857 5.2964 5.2964 6.0555 6.0555 6.2728 6.2884 6.2884 6.2942 8.3400 8.3400 8.4194 8.4223 8.4223 8.4309 8.6135 8.6135 8.7072 8.7195 9.2383 9.2383 11.9497 11.9636 k = 0.0918 0.0918 0.0918 ( 6817 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9279 -23.9279 -23.9279 -23.9279 -6.9204 -6.9204 -5.9997 -5.9997 -5.9734 -5.9719 -5.9712 -5.9712 1.1249 1.1289 1.1289 1.1366 1.9724 1.9724 2.6735 2.6735 2.7767 2.7767 2.7999 2.8190 3.2659 3.2659 3.3376 3.3544 3.3895 3.3895 3.7318 3.7530 3.7530 3.7848 3.8303 3.8303 3.9959 3.9992 3.9992 4.0025 4.4402 4.4536 4.4536 4.5363 4.5406 4.5406 4.6724 4.6724 4.7580 4.7580 4.7752 4.7878 5.0419 5.0419 5.0931 5.1193 5.1193 5.1747 5.3180 5.3180 6.0032 6.0032 6.2696 6.2843 6.2843 6.2933 8.3320 8.3320 8.4242 8.4248 8.4248 8.4372 8.6370 8.6370 8.7297 8.7433 9.3240 9.3240 11.9610 11.9758 k = 0.1020 0.1020 0.1020 ( 6823 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9279 -23.9279 -23.9279 -23.9279 -6.9084 -6.9084 -6.0044 -6.0044 -5.9784 -5.9767 -5.9757 -5.9757 1.1428 1.1470 1.1470 1.1560 1.9877 1.9877 2.6554 2.6554 2.7771 2.7771 2.8018 2.8226 3.2526 3.2526 3.3198 3.3350 3.3809 3.3809 3.7243 3.7439 3.7439 3.7800 3.8169 3.8169 4.0143 4.0143 4.0143 4.0201 4.4247 4.4417 4.4417 4.5295 4.5369 4.5369 4.6606 4.6606 4.7598 4.7598 4.7835 4.7952 5.0391 5.0391 5.0734 5.1172 5.1172 5.1638 5.3420 5.3420 5.9486 5.9486 6.2657 6.2795 6.2795 6.2914 8.3268 8.3268 8.4284 8.4284 8.4295 8.4442 8.6623 8.6623 8.7534 8.7684 9.4099 9.4099 11.9722 11.9878 k = 0.1122 0.1122 0.1122 ( 6811 PWs) bands (ev): -48.3762 -48.3762 -26.0083 -26.0083 -23.9280 -23.9280 -23.9280 -23.9280 -6.8954 -6.8954 -6.0094 -6.0094 -5.9838 -5.9820 -5.9806 -5.9806 1.1622 1.1667 1.1667 1.1770 2.0042 2.0042 2.6349 2.6349 2.7782 2.7782 2.8039 2.8264 3.2381 3.2381 3.3011 3.3140 3.3719 3.3719 3.7174 3.7344 3.7344 3.7754 3.8024 3.8024 4.0294 4.0294 4.0331 4.0375 4.4091 4.4294 4.4294 4.5223 4.5327 4.5327 4.6486 4.6486 4.7618 4.7618 4.7920 4.8027 5.0355 5.0355 5.0546 5.1164 5.1164 5.1533 5.3685 5.3685 5.8923 5.8923 6.2611 6.2738 6.2738 6.2886 8.3244 8.3244 8.4329 8.4329 8.4352 8.4517 8.6891 8.6891 8.7782 8.7946 9.4950 9.4950 11.9828 11.9992 k = 0.1224 0.1224 0.1224 ( 6817 PWs) bands (ev): -48.3762 -48.3762 -26.0084 -26.0084 -23.9280 -23.9280 -23.9280 -23.9280 -6.8813 -6.8813 -6.0149 -6.0149 -5.9895 -5.9876 -5.9859 -5.9859 1.1829 1.1876 1.1876 1.1993 2.0218 2.0218 2.6119 2.6119 2.7800 2.7800 2.8064 2.8303 3.2225 3.2225 3.2816 3.2917 3.3625 3.3625 3.7110 3.7238 3.7238 3.7708 3.7874 3.7874 4.0440 4.0440 4.0521 4.0546 4.3934 4.4170 4.4170 4.5148 4.5280 4.5280 4.6368 4.6368 4.7638 4.7638 4.8002 4.8101 5.0316 5.0316 5.0372 5.1163 5.1163 5.1435 5.3971 5.3971 5.8351 5.8351 6.2556 6.2674 6.2674 6.2849 8.3250 8.3250 8.4381 8.4381 8.4413 8.4597 8.7169 8.7169 8.8038 8.8217 9.5783 9.5783 11.9921 12.0087 k = 0.1327 0.1327 0.1327 ( 6799 PWs) bands (ev): -48.3761 -48.3761 -26.0084 -26.0084 -23.9281 -23.9281 -23.9281 -23.9281 -6.8661 -6.8661 -6.0206 -6.0206 -5.9957 -5.9936 -5.9914 -5.9914 1.2047 1.2096 1.2096 1.2229 2.0405 2.0405 2.5868 2.5868 2.7824 2.7824 2.8093 2.8344 3.2060 3.2060 3.2615 3.2684 3.3530 3.3530 3.7049 3.7114 3.7114 3.7662 3.7725 3.7725 4.0582 4.0582 4.0712 4.0713 4.3779 4.4046 4.4046 4.5072 4.5228 4.5228 4.6253 4.6253 4.7660 4.7660 4.8080 4.8173 5.0216 5.0279 5.0279 5.1169 5.1169 5.1348 5.4278 5.4278 5.7775 5.7775 6.2493 6.2603 6.2603 6.2802 8.3286 8.3286 8.4439 8.4439 8.4475 8.4681 8.7457 8.7457 8.8301 8.8495 9.6587 9.6587 11.9995 12.0165 k = 0.1429 0.1429 0.1429 ( 6799 PWs) bands (ev): -48.3761 -48.3761 -26.0085 -26.0085 -23.9281 -23.9281 -23.9281 -23.9281 -6.8499 -6.8499 -6.0267 -6.0267 -6.0021 -5.9999 -5.9973 -5.9973 1.2276 1.2326 1.2326 1.2476 2.0600 2.0600 2.5597 2.5597 2.7851 2.7851 2.8124 2.8385 3.1888 3.1888 3.2409 3.2444 3.3432 3.3432 3.6963 3.6963 3.6991 3.7587 3.7587 3.7615 4.0717 4.0717 4.0873 4.0904 4.3629 4.3925 4.3925 4.4997 4.5172 4.5172 4.6145 4.6145 4.7685 4.7685 4.8152 4.8245 5.0083 5.0246 5.0246 5.1177 5.1177 5.1272 5.4602 5.4602 5.7200 5.7200 6.2421 6.2523 6.2523 6.2746 8.3350 8.3350 8.4501 8.4501 8.4539 8.4767 8.7751 8.7751 8.8568 8.8778 9.7354 9.7354 12.0046 12.0221 k = 0.1531 0.1531 0.1531 ( 6802 PWs) bands (ev): -48.3761 -48.3761 -26.0085 -26.0085 -23.9282 -23.9282 -23.9282 -23.9282 -6.8328 -6.8328 -6.0331 -6.0331 -6.0088 -6.0065 -6.0034 -6.0034 1.2512 1.2563 1.2563 1.2732 2.0801 2.0801 2.5307 2.5307 2.7881 2.7881 2.8158 2.8426 3.1711 3.1711 3.2198 3.2202 3.3333 3.3333 3.6780 3.6780 3.6935 3.7464 3.7464 3.7566 4.0843 4.0843 4.1027 4.1093 4.3485 4.3809 4.3809 4.4927 4.5113 4.5113 4.6043 4.6043 4.7714 4.7714 4.8213 4.8315 4.9977 5.0220 5.0220 5.1184 5.1184 5.1209 5.4943 5.4943 5.6630 5.6630 6.2343 6.2438 6.2438 6.2681 8.3444 8.3444 8.4569 8.4569 8.4603 8.4855 8.8051 8.8051 8.8840 8.9066 9.8076 9.8076 12.0071 12.0252 k = 0.1633 0.1633 0.1633 ( 6790 PWs) bands (ev): -48.3761 -48.3761 -26.0086 -26.0086 -23.9283 -23.9283 -23.9283 -23.9283 -6.8148 -6.8148 -6.0398 -6.0398 -6.0158 -6.0134 -6.0097 -6.0097 1.2755 1.2805 1.2805 1.2995 2.1007 2.1007 2.5000 2.5000 2.7914 2.7914 2.8194 2.8466 3.1531 3.1531 3.1952 3.1994 3.3234 3.3234 3.6566 3.6566 3.6879 3.7358 3.7358 3.7513 4.0958 4.0958 4.1172 4.1276 4.3353 4.3702 4.3702 4.4864 4.5053 4.5053 4.5951 4.5951 4.7747 4.7747 4.8264 4.8384 4.9901 5.0201 5.0201 5.1160 5.1187 5.1187 5.5296 5.5296 5.6073 5.6073 6.2258 6.2348 6.2348 6.2608 8.3564 8.3564 8.4640 8.4640 8.4666 8.4943 8.8355 8.8355 8.9115 8.9357 9.8744 9.8744 12.0066 12.0256 k = 0.1735 0.1735 0.1735 ( 6790 PWs) bands (ev): -48.3761 -48.3761 -26.0086 -26.0086 -23.9283 -23.9283 -23.9283 -23.9283 -6.7959 -6.7959 -6.0467 -6.0467 -6.0230 -6.0206 -6.0162 -6.0162 1.3001 1.3051 1.3051 1.3263 2.1214 2.1214 2.4680 2.4680 2.7950 2.7950 2.8233 2.8504 3.1352 3.1352 3.1709 3.1788 3.3134 3.3134 3.6325 3.6325 3.6822 3.7264 3.7264 3.7457 4.1061 4.1061 4.1307 4.1450 4.3235 4.3605 4.3605 4.4809 4.4993 4.4993 4.5867 4.5867 4.7785 4.7785 4.8299 4.8451 4.9857 5.0189 5.0189 5.1124 5.1185 5.1185 5.5482 5.5482 5.5710 5.5710 6.2168 6.2253 6.2253 6.2528 8.3710 8.3710 8.4717 8.4717 8.4728 8.5031 8.8663 8.8663 8.9393 8.9650 9.9355 9.9355 12.0032 12.0233 k = 0.1837 0.1837 0.1837 ( 6787 PWs) bands (ev): -48.3760 -48.3760 -26.0087 -26.0087 -23.9284 -23.9284 -23.9284 -23.9284 -6.7763 -6.7763 -6.0538 -6.0538 -6.0304 -6.0279 -6.0229 -6.0229 1.3249 1.3298 1.3298 1.3533 2.1418 2.1418 2.4349 2.4349 2.7987 2.7987 2.8274 2.8539 3.1175 3.1175 3.1473 3.1587 3.3035 3.3035 3.6064 3.6064 3.6765 3.7178 3.7178 3.7396 4.1149 4.1149 4.1433 4.1609 4.3139 4.3520 4.3520 4.4766 4.4934 4.4934 4.5793 4.5793 4.7830 4.7830 4.8320 4.8515 4.9845 5.0185 5.0185 5.1103 5.1174 5.1174 5.4977 5.4977 5.6066 5.6066 6.2075 6.2156 6.2156 6.2444 8.3877 8.3877 8.4787 8.4801 8.4801 8.5117 8.8974 8.8974 8.9674 8.9947 9.9904 9.9904 11.9965 12.0181 k = 0.1939 0.1939 0.1939 ( 6793 PWs) bands (ev): -48.3761 -48.3761 -26.0087 -26.0087 -23.9285 -23.9285 -23.9285 -23.9285 -6.7559 -6.7559 -6.0611 -6.0611 -6.0380 -6.0354 -6.0297 -6.0297 1.3496 1.3543 1.3543 1.3803 2.1614 2.1614 2.4012 2.4012 2.8025 2.8025 2.8317 2.8569 3.1005 3.1005 3.1248 3.1393 3.2936 3.2936 3.5789 3.5789 3.6705 3.7096 3.7096 3.7331 4.1223 4.1223 4.1547 4.1748 4.3070 4.3449 4.3449 4.4735 4.4877 4.4877 4.5727 4.5727 4.7880 4.7880 4.8327 4.8577 4.9862 5.0185 5.0185 5.1096 5.1153 5.1153 5.4467 5.4467 5.6459 5.6459 6.1981 6.2058 6.2058 6.2357 8.4060 8.4060 8.4843 8.4896 8.4896 8.5199 8.9287 8.9287 8.9958 9.0245 10.0390 10.0390 11.9863 12.0097 k = 0.2041 0.2041 0.2041 ( 6787 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9286 -23.9286 -23.9286 -23.9286 -6.7349 -6.7349 -6.0685 -6.0685 -6.0457 -6.0430 -6.0366 -6.0366 1.3741 1.3784 1.3784 1.4071 2.1792 2.1792 2.3677 2.3677 2.8065 2.8065 2.8362 2.8593 3.0844 3.0844 3.1040 3.1208 3.2838 3.2838 3.5506 3.5506 3.6643 3.7016 3.7016 3.7260 4.1282 4.1282 4.1652 4.1858 4.3036 4.3393 4.3393 4.4718 4.4825 4.4825 4.5668 4.5668 4.7936 4.7936 4.8323 4.8636 4.9906 5.0188 5.0188 5.1103 5.1120 5.1120 5.3981 5.3981 5.6864 5.6864 6.1889 6.1963 6.1963 6.2269 8.4249 8.4249 8.4896 8.5011 8.5011 8.5279 8.9602 8.9602 9.0244 9.0545 10.0814 10.0814 11.9726 11.9981 k = 0.2143 0.2143 0.2143 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9287 -23.9287 -23.9287 -23.9287 -6.7133 -6.7133 -6.0760 -6.0760 -6.0534 -6.0508 -6.0436 -6.0436 1.3980 1.4019 1.4019 1.4334 2.1933 2.1933 2.3364 2.3364 2.8104 2.8104 2.8408 2.8608 3.0696 3.0696 3.0853 3.1036 3.2741 3.2741 3.5218 3.5218 3.6577 3.6935 3.6935 3.7183 4.1329 4.1329 4.1747 4.1934 4.3044 4.3350 4.3350 4.4714 4.4778 4.4778 4.5616 4.5616 4.7996 4.7996 4.8310 4.8691 4.9971 5.0190 5.0190 5.1073 5.1073 5.1122 5.3524 5.3524 5.7278 5.7278 6.1800 6.1871 6.1871 6.2184 8.4429 8.4429 8.4945 8.5157 8.5157 8.5353 8.9918 8.9918 9.0534 9.0846 10.1180 10.1180 11.9549 11.9827 k = 0.2245 0.2245 0.2245 ( 6791 PWs) bands (ev): -48.3761 -48.3761 -26.0089 -26.0089 -23.9287 -23.9287 -23.9287 -23.9287 -6.6912 -6.6912 -6.0836 -6.0836 -6.0612 -6.0586 -6.0506 -6.0506 1.4211 1.4244 1.4244 1.4588 2.1995 2.1995 2.3112 2.3112 2.8144 2.8144 2.8455 2.8612 3.0563 3.0563 3.0692 3.0879 3.2647 3.2647 3.4932 3.4932 3.6509 3.6852 3.6852 3.7100 4.1363 4.1363 4.1834 4.1977 4.3093 4.3319 4.3319 4.4724 4.4736 4.4736 4.5571 4.5571 4.8061 4.8061 4.8291 4.8742 5.0053 5.0186 5.0186 5.1013 5.1013 5.1153 5.3104 5.3104 5.7700 5.7700 6.1717 6.1785 6.1785 6.2102 8.4586 8.4586 8.4990 8.5348 8.5348 8.5423 9.0234 9.0234 9.0825 9.1148 10.1492 10.1492 11.9328 11.9610 k = 0.2347 0.2347 0.2347 ( 6776 PWs) bands (ev): -48.3760 -48.3760 -26.0089 -26.0089 -23.9288 -23.9288 -23.9288 -23.9288 -6.6687 -6.6687 -6.0912 -6.0912 -6.0691 -6.0664 -6.0576 -6.0576 1.4431 1.4457 1.4457 1.4833 2.1912 2.1912 2.2986 2.2986 2.8184 2.8184 2.8502 2.8604 3.0448 3.0448 3.0561 3.0740 3.2554 3.2554 3.4653 3.4653 3.6438 3.6768 3.6768 3.7012 4.1390 4.1390 4.1916 4.1994 4.3175 4.3300 4.3300 4.4699 4.4699 4.4744 4.5530 4.5530 4.8127 4.8127 4.8267 4.8788 5.0146 5.0164 5.0164 5.0941 5.0941 5.1195 5.2728 5.2728 5.8127 5.8127 6.1645 6.1710 6.1710 6.2029 8.4711 8.4711 8.5031 8.5488 8.5590 8.5590 9.0550 9.0550 9.1119 9.1450 10.1756 10.1756 11.9060 11.9348 k = 0.2449 0.2449 0.2449 ( 6761 PWs) bands (ev): -48.3759 -48.3759 -26.0090 -26.0090 -23.9289 -23.9289 -23.9289 -23.9289 -6.6459 -6.6459 -6.0988 -6.0988 -6.0769 -6.0742 -6.0646 -6.0646 1.4639 1.4657 1.4657 1.5063 2.1677 2.1677 2.2992 2.2992 2.8224 2.8224 2.8549 2.8585 3.0353 3.0353 3.0463 3.0621 3.2464 3.2464 3.4385 3.4385 3.6363 3.6680 3.6680 3.6919 4.1410 4.1410 4.1994 4.1995 4.3279 4.3290 4.3290 4.4667 4.4667 4.4774 4.5495 4.5495 4.8193 4.8193 4.8242 4.8827 5.0108 5.0108 5.0245 5.0869 5.0869 5.1245 5.2402 5.2402 5.8560 5.8560 6.1586 6.1647 6.1647 6.1967 8.4810 8.4810 8.5069 8.5547 8.5876 8.5876 9.0865 9.0865 9.1414 9.1751 10.1980 10.1980 11.8739 11.9035 k = 0.2551 0.2551 0.2551 ( 6761 PWs) bands (ev): -48.3759 -48.3759 -26.0090 -26.0090 -23.9290 -23.9290 -23.9290 -23.9290 -6.6228 -6.6228 -6.1064 -6.1064 -6.0847 -6.0820 -6.0715 -6.0715 1.4833 1.4839 1.4839 1.5278 2.1354 2.1354 2.3062 2.3062 2.8266 2.8266 2.8556 2.8596 3.0279 3.0279 3.0398 3.0524 3.2378 3.2378 3.4134 3.4134 3.6285 3.6590 3.6590 3.6820 4.1426 4.1426 4.1992 4.2070 4.3287 4.3287 4.3395 4.4639 4.4639 4.4811 4.5463 4.5463 4.8214 4.8257 4.8257 4.8860 4.9999 4.9999 5.0347 5.0812 5.0812 5.1301 5.2129 5.2129 5.8996 5.8996 6.1544 6.1600 6.1600 6.1920 8.4890 8.4890 8.5104 8.5602 8.6195 8.6195 9.1177 9.1177 9.1709 9.2050 10.2170 10.2170 11.8362 11.8666 k = 0.2653 0.2653 0.2653 ( 6770 PWs) bands (ev): -48.3759 -48.3759 -26.0091 -26.0091 -23.9291 -23.9291 -23.9291 -23.9291 -6.5995 -6.5995 -6.1140 -6.1140 -6.0924 -6.0897 -6.0784 -6.0784 1.5004 1.5004 1.5010 1.5474 2.0994 2.0994 2.3147 2.3147 2.8309 2.8309 2.8522 2.8642 3.0227 3.0227 3.0363 3.0449 3.2295 3.2295 3.3903 3.3903 3.6204 3.6497 3.6497 3.6717 4.1441 4.1441 4.1990 4.2147 4.3289 4.3289 4.3515 4.4614 4.4614 4.4852 4.5434 4.5434 4.8184 4.8317 4.8317 4.8885 4.9829 4.9829 5.0447 5.0778 5.0778 5.1359 5.1907 5.1907 5.9434 5.9434 6.1524 6.1572 6.1572 6.1891 8.4957 8.4957 8.5135 8.5651 8.6540 8.6540 9.1484 9.1484 9.2002 9.2344 10.2334 10.2334 11.7923 11.8239 k = 0.2755 0.2755 0.2755 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9292 -23.9291 -23.9291 -23.9291 -6.5762 -6.5762 -6.1214 -6.1214 -6.1000 -6.0974 -6.0852 -6.0852 1.5149 1.5149 1.5170 1.5649 2.0617 2.0617 2.3222 2.3222 2.8356 2.8356 2.8489 2.8689 3.0196 3.0196 3.0354 3.0398 3.2216 3.2216 3.3698 3.3698 3.6121 3.6401 3.6401 3.6610 4.1457 4.1457 4.1993 4.2226 4.3295 4.3295 4.3636 4.4591 4.4591 4.4896 4.5409 4.5409 4.8154 4.8372 4.8372 4.8902 4.9610 4.9610 5.0541 5.0764 5.0764 5.1416 5.1726 5.1726 5.9872 5.9872 6.1528 6.1567 6.1567 6.1885 8.5017 8.5017 8.5165 8.5695 8.6902 8.6902 9.1786 9.1786 9.2292 9.2633 10.2478 10.2478 11.7421 11.7748 k = 0.2857 0.2857 0.2857 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9292 -23.9292 -23.9292 -23.9292 -6.5529 -6.5529 -6.1288 -6.1288 -6.1075 -6.1049 -6.0919 -6.0919 1.5273 1.5273 1.5311 1.5803 2.0236 2.0236 2.3274 2.3274 2.8407 2.8407 2.8462 2.8737 3.0187 3.0187 3.0368 3.0370 3.2143 3.2143 3.3522 3.3522 3.6035 3.6303 3.6303 3.6500 4.1475 4.1475 4.2006 4.2309 4.3306 4.3306 4.3754 4.4569 4.4569 4.4941 4.5385 4.5385 4.8121 4.8420 4.8420 4.8911 4.9362 4.9362 5.0625 5.0757 5.0757 5.1469 5.1580 5.1580 6.0309 6.0309 6.1560 6.1590 6.1590 6.1906 8.5071 8.5071 8.5193 8.5736 8.7277 8.7277 9.2079 9.2079 9.2577 9.2914 10.2610 10.2610 11.6855 11.7194 k = 0.2959 0.2959 0.2959 ( 6779 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9293 -23.9293 -23.9293 -23.9293 -6.5297 -6.5297 -6.1359 -6.1359 -6.1148 -6.1122 -6.0984 -6.0984 1.5375 1.5375 1.5432 1.5933 1.9856 1.9856 2.3299 2.3299 2.8446 2.8465 2.8465 2.8788 3.0197 3.0197 3.0364 3.0399 3.2076 3.2076 3.3379 3.3379 3.5947 3.6203 3.6203 3.6387 4.1496 4.1496 4.2029 4.2397 4.3320 4.3320 4.3868 4.4548 4.4548 4.4986 4.5364 4.5364 4.8088 4.8460 4.8460 4.8913 4.9101 4.9101 5.0696 5.0745 5.0745 5.1462 5.1462 5.1512 6.0742 6.0742 6.1625 6.1643 6.1643 6.1958 8.5122 8.5122 8.5220 8.5773 8.7660 8.7660 9.2361 9.2361 9.2853 9.3184 10.2734 10.2734 11.6227 11.6578 k = 0.3061 0.3061 0.3061 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9294 -23.9294 -23.9294 -23.9294 -6.5066 -6.5066 -6.1430 -6.1430 -6.1219 -6.1194 -6.1048 -6.1048 1.5456 1.5456 1.5534 1.6039 1.9480 1.9480 2.3292 2.3292 2.8446 2.8531 2.8531 2.8841 3.0223 3.0223 3.0378 3.0444 3.2013 3.2013 3.3272 3.3272 3.5859 3.6101 3.6101 3.6273 4.1520 4.1520 4.2063 4.2491 4.3336 4.3336 4.3976 4.4526 4.4526 4.5030 4.5344 4.5344 4.8053 4.8493 4.8493 4.8841 4.8841 4.8908 5.0715 5.0715 5.0751 5.1367 5.1367 5.1543 6.1166 6.1166 6.1723 6.1731 6.1731 6.2042 8.5172 8.5172 8.5248 8.5808 8.8047 8.8047 9.2630 9.2630 9.3119 9.3441 10.2856 10.2856 11.5541 11.5903 k = 0.3163 0.3163 0.3163 ( 6779 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9295 -23.9295 -23.9295 -23.9295 -6.4839 -6.4839 -6.1498 -6.1498 -6.1288 -6.1264 -6.1111 -6.1111 1.5516 1.5516 1.5616 1.6121 1.9113 1.9113 2.3253 2.3253 2.8462 2.8604 2.8604 2.8899 3.0265 3.0265 3.0410 3.0499 3.1955 3.1955 3.3203 3.3203 3.5769 3.5998 3.5998 3.6158 4.1547 4.1547 4.2108 4.2591 4.3355 4.3355 4.4080 4.4504 4.4504 4.5071 4.5324 4.5324 4.8017 4.8518 4.8518 4.8591 4.8591 4.8896 5.0661 5.0661 5.0787 5.1292 5.1292 5.1556 6.1571 6.1571 6.1858 6.1867 6.1867 6.2161 8.5222 8.5222 8.5276 8.5842 8.8435 8.8435 9.2882 9.2882 9.3370 9.3681 10.2980 10.2980 11.4806 11.5177 k = 0.3265 0.3265 0.3265 ( 6773 PWs) bands (ev): -48.3759 -48.3759 -26.0094 -26.0094 -23.9295 -23.9295 -23.9295 -23.9295 -6.4616 -6.4616 -6.1564 -6.1564 -6.1355 -6.1331 -6.1171 -6.1171 1.5556 1.5556 1.5681 1.6180 1.8756 1.8756 2.3182 2.3182 2.8497 2.8686 2.8686 2.8963 3.0320 3.0320 3.0456 3.0561 3.1901 3.1901 3.3171 3.3171 3.5680 3.5895 3.5895 3.6043 4.1577 4.1577 4.2165 4.2698 4.3378 4.3378 4.4177 4.4479 4.4479 4.5110 4.5305 4.5305 4.7981 4.8354 4.8354 4.8538 4.8538 4.8879 5.0582 5.0582 5.0802 5.1231 5.1231 5.1550 6.1897 6.1897 6.2029 6.2109 6.2109 6.2317 8.5273 8.5273 8.5308 8.5875 8.8819 8.8819 9.3114 9.3114 9.3602 9.3900 10.3109 10.3109 11.4031 11.4409 k = 0.3367 0.3367 0.3367 ( 6773 PWs) bands (ev): -48.3759 -48.3759 -26.0095 -26.0095 -23.9296 -23.9296 -23.9296 -23.9296 -6.4398 -6.4398 -6.1627 -6.1627 -6.1419 -6.1396 -6.1230 -6.1230 1.5577 1.5577 1.5728 1.6218 1.8411 1.8411 2.3082 2.3082 2.8551 2.8776 2.8776 2.9032 3.0386 3.0386 3.0514 3.0628 3.1848 3.1848 3.3177 3.3177 3.5591 3.5792 3.5792 3.5928 4.1609 4.1609 4.2233 4.2811 4.3402 4.3402 4.4268 4.4453 4.4453 4.5144 4.5285 4.5285 4.7943 4.8140 4.8140 4.8551 4.8551 4.8856 5.0481 5.0481 5.0796 5.1177 5.1177 5.1523 6.2125 6.2125 6.2236 6.2474 6.2474 6.2509 8.5326 8.5326 8.5342 8.5909 8.9197 8.9197 9.3321 9.3321 9.3812 9.4094 10.3247 10.3247 11.3229 11.3612 k = 0.3469 0.3469 0.3469 ( 6785 PWs) bands (ev): -48.3760 -48.3760 -26.0095 -26.0095 -23.9297 -23.9297 -23.9297 -23.9297 -6.4186 -6.4186 -6.1688 -6.1688 -6.1480 -6.1458 -6.1287 -6.1287 1.5581 1.5581 1.5759 1.6235 1.8082 1.8082 2.2955 2.2955 2.8622 2.8873 2.8873 2.9107 3.0459 3.0459 3.0581 3.0698 3.1797 3.1797 3.3217 3.3217 3.5504 3.5689 3.5689 3.5814 4.1642 4.1642 4.2313 4.2929 4.3429 4.3429 4.4353 4.4424 4.4424 4.5174 4.5264 4.5264 4.7906 4.7948 4.7948 4.8558 4.8558 4.8828 5.0364 5.0364 5.0768 5.1120 5.1120 5.1473 6.2351 6.2351 6.2477 6.2734 6.2862 6.2862 8.5381 8.5383 8.5383 8.5945 8.9564 8.9564 9.3501 9.3501 9.3994 9.4260 10.3395 10.3395 11.2412 11.2798 k = 0.3571 0.3571 0.3571 ( 6803 PWs) bands (ev): -48.3761 -48.3761 -26.0096 -26.0096 -23.9298 -23.9298 -23.9298 -23.9298 -6.3980 -6.3980 -6.1745 -6.1745 -6.1538 -6.1517 -6.1342 -6.1342 1.5570 1.5570 1.5777 1.6235 1.7769 1.7769 2.2807 2.2807 2.8709 2.8976 2.8976 2.9188 3.0539 3.0539 3.0654 3.0768 3.1748 3.1748 3.3288 3.3288 3.5418 3.5587 3.5587 3.5703 4.1675 4.1675 4.2403 4.3053 4.3459 4.3459 4.4393 4.4393 4.4433 4.5200 4.5241 4.5241 4.7782 4.7782 4.7869 4.8560 4.8560 4.8796 5.0234 5.0234 5.0721 5.1055 5.1055 5.1401 6.2600 6.2600 6.2749 6.2992 6.3244 6.3244 8.5426 8.5445 8.5445 8.5983 8.9919 8.9919 9.3647 9.3647 9.4144 9.4391 10.3554 10.3554 11.1596 11.1982 k = 0.3673 0.3673 0.3673 ( 6797 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9298 -23.9298 -23.9298 -23.9298 -6.3782 -6.3782 -6.1800 -6.1800 -6.1592 -6.1573 -6.1395 -6.1395 1.5545 1.5545 1.5784 1.6219 1.7473 1.7473 2.2642 2.2642 2.8808 2.9084 2.9084 2.9272 3.0624 3.0624 3.0732 3.0838 3.1700 3.1700 3.3385 3.3385 3.5335 3.5487 3.5487 3.5594 4.1709 4.1709 4.2503 4.3180 4.3492 4.3492 4.4360 4.4360 4.4507 4.5218 4.5218 4.5221 4.7642 4.7642 4.7835 4.8560 4.8560 4.8761 5.0096 5.0096 5.0655 5.0980 5.0980 5.1308 6.2873 6.2873 6.3048 6.3277 6.3614 6.3614 8.5478 8.5513 8.5513 8.6027 9.0258 9.0258 9.3756 9.3756 9.4256 9.4485 10.3726 10.3726 11.0796 11.1178 k = 0.3776 0.3776 0.3776 ( 6797 PWs) bands (ev): -48.3760 -48.3760 -26.0097 -26.0097 -23.9299 -23.9299 -23.9299 -23.9299 -6.3592 -6.3592 -6.1851 -6.1851 -6.1644 -6.1626 -6.1446 -6.1446 1.5510 1.5510 1.5780 1.6191 1.7198 1.7198 2.2465 2.2465 2.8919 2.9194 2.9194 2.9360 3.0712 3.0712 3.0810 3.0906 3.1655 3.1655 3.3502 3.3502 3.5256 3.5389 3.5389 3.5490 4.1740 4.1740 4.2613 4.3311 4.3528 4.3528 4.4325 4.4325 4.4576 4.5195 4.5195 4.5236 4.7529 4.7529 4.7803 4.8557 4.8557 4.8723 4.9953 4.9953 5.0574 5.0893 5.0893 5.1194 6.3165 6.3165 6.3369 6.3584 6.3969 6.3969 8.5538 8.5588 8.5588 8.6075 9.0578 9.0578 9.3825 9.3825 9.4326 9.4537 10.3909 10.3909 11.0025 11.0400 k = 0.3878 0.3878 0.3878 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9299 -23.9299 -23.9299 -23.9299 -6.3412 -6.3412 -6.1899 -6.1899 -6.1692 -6.1675 -6.1496 -6.1496 1.5465 1.5465 1.5769 1.6152 1.6944 1.6944 2.2283 2.2283 2.9038 2.9305 2.9305 2.9450 3.0800 3.0800 3.0887 3.0970 3.1613 3.1613 3.3633 3.3633 3.5180 3.5295 3.5295 3.5389 4.1768 4.1768 4.2731 4.3442 4.3565 4.3565 4.4290 4.4290 4.4640 4.5170 4.5170 4.5246 4.7443 4.7443 4.7775 4.8552 4.8552 4.8684 4.9808 4.9808 5.0480 5.0793 5.0793 5.1064 6.3471 6.3471 6.3706 6.3907 6.4307 6.4307 8.5608 8.5670 8.5670 8.6129 9.0876 9.0876 9.3850 9.3850 9.4349 9.4542 10.4104 10.4104 10.9298 10.9661 k = 0.3980 0.3980 0.3980 ( 6800 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9300 -23.9300 -23.9300 -23.9300 -6.3241 -6.3241 -6.1943 -6.1943 -6.1736 -6.1720 -6.1544 -6.1544 1.5414 1.5414 1.5753 1.6106 1.6711 1.6711 2.2099 2.2099 2.9161 2.9415 2.9415 2.9540 3.0886 3.0886 3.0961 3.1030 3.1574 3.1574 3.3774 3.3774 3.5109 3.5205 3.5205 3.5295 4.1792 4.1792 4.2857 4.3573 4.3605 4.3605 4.4255 4.4255 4.4698 4.5146 4.5146 4.5249 4.7382 4.7382 4.7752 4.8545 4.8545 4.8643 4.9663 4.9663 5.0377 5.0684 5.0684 5.0920 6.3784 6.3784 6.4052 6.4239 6.4626 6.4626 8.5687 8.5762 8.5762 8.6190 9.1151 9.1151 9.3829 9.3829 9.4323 9.4501 10.4307 10.4307 10.8627 10.8974 k = 0.4082 0.4082 0.4082 ( 6809 PWs) bands (ev): -48.3761 -48.3761 -26.0098 -26.0098 -23.9300 -23.9300 -23.9300 -23.9300 -6.3081 -6.3081 -6.1983 -6.1983 -6.1776 -6.1762 -6.1591 -6.1591 1.5358 1.5358 1.5734 1.6055 1.6503 1.6503 2.1919 2.1919 2.9287 2.9522 2.9522 2.9629 3.0969 3.0969 3.1030 3.1084 3.1539 3.1539 3.3917 3.3917 3.5043 3.5119 3.5119 3.5206 4.1812 4.1812 4.2990 4.3645 4.3645 4.3701 4.4221 4.4221 4.4751 4.5123 4.5123 4.5245 4.7344 4.7344 4.7737 4.8535 4.8535 4.8600 4.9523 4.9523 5.0269 5.0566 5.0566 5.0766 6.4098 6.4098 6.4399 6.4573 6.4925 6.4925 8.5778 8.5863 8.5863 8.6258 9.1400 9.1400 9.3763 9.3763 9.4248 9.4411 10.4516 10.4516 10.8021 10.8347 k = 0.4184 0.4184 0.4184 ( 6803 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9301 -23.9301 -23.9301 -23.9301 -6.2932 -6.2932 -6.2019 -6.2019 -6.1812 -6.1799 -6.1636 -6.1636 1.5298 1.5298 1.5714 1.6002 1.6318 1.6318 2.1746 2.1746 2.9412 2.9623 2.9623 2.9715 3.1047 3.1047 3.1092 3.1132 3.1509 3.1509 3.4060 3.4060 3.4984 3.5040 3.5040 3.5124 4.1827 4.1827 4.3128 4.3684 4.3684 4.3823 4.4190 4.4190 4.4800 4.5102 4.5102 4.5235 4.7328 4.7328 4.7730 4.8520 4.8520 4.8557 4.9392 4.9392 5.0159 5.0441 5.0441 5.0605 6.4404 6.4404 6.4742 6.4901 6.5201 6.5201 8.5879 8.5973 8.5973 8.6332 9.1619 9.1619 9.3657 9.3657 9.4126 9.4276 10.4727 10.4727 10.7488 10.7789 k = 0.4286 0.4286 0.4286 ( 6812 PWs) bands (ev): -48.3761 -48.3761 -26.0099 -26.0099 -23.9301 -23.9301 -23.9301 -23.9301 -6.2794 -6.2794 -6.2052 -6.2052 -6.1844 -6.1833 -6.1681 -6.1681 1.5237 1.5237 1.5694 1.5947 1.6158 1.6158 2.1585 2.1585 2.9533 2.9718 2.9718 2.9797 3.1118 3.1118 3.1147 3.1173 3.1484 3.1484 3.4197 3.4197 3.4931 3.4967 3.4967 3.5050 4.1837 4.1837 4.3269 4.3721 4.3721 4.3936 4.4164 4.4164 4.4842 4.5082 4.5082 4.5217 4.7332 4.7332 4.7734 4.8496 4.8496 4.8511 4.9276 4.9276 5.0051 5.0314 5.0314 5.0443 6.4694 6.4694 6.5070 6.5214 6.5454 6.5454 8.5991 8.6090 8.6090 8.6411 9.1806 9.1806 9.3518 9.3518 9.3964 9.4102 10.4936 10.4936 10.7033 10.7303 k = 0.4388 0.4388 0.4388 ( 6791 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9301 -23.9301 -23.9301 -23.9301 -6.2668 -6.2668 -6.2079 -6.2079 -6.1872 -6.1862 -6.1725 -6.1725 1.5177 1.5177 1.5676 1.5894 1.6022 1.6022 2.1438 2.1438 2.9648 2.9804 2.9804 2.9871 3.1179 3.1179 3.1193 3.1208 3.1466 3.1466 3.4323 3.4323 3.4885 3.4902 3.4902 3.4984 4.1844 4.1844 4.3412 4.3755 4.3755 4.4036 4.4145 4.4145 4.4880 4.5065 4.5065 4.5193 4.7354 4.7354 4.7749 4.8459 4.8459 4.8464 4.9183 4.9183 4.9950 5.0186 5.0186 5.0284 6.4960 6.4960 6.5378 6.5504 6.5682 6.5682 8.6111 8.6213 8.6213 8.6493 9.1955 9.1955 9.3361 9.3361 9.3773 9.3900 10.5136 10.5136 10.6655 10.6892 k = 0.4490 0.4490 0.4490 ( 6797 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2554 -6.2554 -6.2103 -6.2103 -6.1896 -6.1887 -6.1770 -6.1770 1.5120 1.5120 1.5661 1.5843 1.5910 1.5910 2.1310 2.1310 2.9754 2.9880 2.9880 2.9938 3.1228 3.1228 3.1229 3.1236 3.1455 3.1455 3.4436 3.4436 3.4846 3.4846 3.4846 3.4926 4.1846 4.1846 4.3554 4.3781 4.3781 4.4118 4.4132 4.4132 4.4912 4.5050 4.5050 4.5163 4.7389 4.7389 4.7777 4.8404 4.8404 4.8414 4.9119 4.9119 4.9858 5.0061 5.0061 5.0132 6.5196 6.5196 6.5656 6.5764 6.5883 6.5883 8.6236 8.6337 8.6337 8.6573 9.2058 9.2058 9.3206 9.3206 9.3566 9.3681 10.5323 10.5323 10.6353 10.6553 k = 0.4592 0.4592 0.4592 ( 6800 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2453 -6.2453 -6.2121 -6.2121 -6.1915 -6.1908 -6.1814 -6.1814 1.5070 1.5070 1.5650 1.5797 1.5821 1.5821 2.1201 2.1201 2.9848 2.9945 2.9945 2.9993 3.1257 3.1258 3.1261 3.1261 3.1454 3.1454 3.4530 3.4530 3.4802 3.4802 3.4815 3.4877 4.1846 4.1846 4.3693 4.3801 4.3801 4.4126 4.4126 4.4179 4.4939 4.5039 4.5039 4.5130 4.7437 4.7437 4.7819 4.8332 4.8332 4.8359 4.9086 4.9086 4.9780 4.9944 4.9944 4.9994 6.5394 6.5394 6.5898 6.5987 6.6055 6.6055 8.6361 8.6457 8.6457 8.6646 9.2107 9.2107 9.3077 9.3077 9.3363 9.3463 10.5488 10.5488 10.6121 10.6285 k = 0.4694 0.4694 0.4694 ( 6800 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2366 -6.2366 -6.2134 -6.2134 -6.1930 -6.1925 -6.1858 -6.1858 1.5027 1.5027 1.5645 1.5754 1.5754 1.5756 2.1115 2.1115 2.9928 2.9996 2.9996 3.0035 3.1274 3.1276 3.1281 3.1281 3.1461 3.1461 3.4600 3.4600 3.4773 3.4773 3.4793 3.4838 4.1844 4.1844 4.3815 4.3815 4.3824 4.4126 4.4126 4.4214 4.4963 4.5030 4.5030 4.5096 4.7491 4.7491 4.7873 4.8251 4.8251 4.8299 4.9078 4.9078 4.9719 4.9839 4.9839 4.9875 6.5552 6.5552 6.6097 6.6164 6.6194 6.6194 8.6481 8.6565 8.6565 8.6705 9.2100 9.2100 9.2992 9.2992 9.3181 9.3262 10.5625 10.5625 10.5956 10.6082 k = 0.4796 0.4796 0.4796 ( 6782 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2297 -6.2297 -6.2139 -6.2139 -6.1940 -6.1937 -6.1899 -6.1899 1.4995 1.4995 1.5647 1.5706 1.5706 1.5720 2.1052 2.1052 2.9992 3.0034 3.0034 3.0062 3.1285 3.1288 3.1291 3.1291 3.1471 3.1471 3.4639 3.4639 3.4764 3.4764 3.4779 3.4808 4.1842 4.1842 4.3823 4.3823 4.3945 4.4130 4.4130 4.4219 4.4983 4.5024 4.5024 4.5066 4.7548 4.7548 4.7937 4.8171 4.8171 4.8233 4.9086 4.9086 4.9679 4.9753 4.9753 4.9780 6.5666 6.5666 6.6246 6.6292 6.6298 6.6298 8.6588 8.6651 8.6651 8.6742 9.2059 9.2059 9.2952 9.2952 9.3039 9.3098 10.5727 10.5727 10.5850 10.5942 k = 0.4898 0.4898 0.4898 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2253 -6.2253 -6.2136 -6.2136 -6.1946 -6.1944 -6.1933 -6.1933 1.4975 1.4975 1.5655 1.5679 1.5679 1.5691 2.1014 2.1014 3.0038 3.0057 3.0057 3.0073 3.1292 3.1294 3.1294 3.1294 3.1479 3.1479 3.4651 3.4651 3.4771 3.4771 3.4773 3.4787 4.1841 4.1841 4.3827 4.3827 4.4050 4.4133 4.4133 4.4192 4.5001 4.5020 4.5020 4.5040 4.7594 4.7594 4.8010 4.8110 4.8110 4.8161 4.9098 4.9098 4.9663 4.9694 4.9694 4.9712 6.5734 6.5734 6.6343 6.6361 6.6361 6.6366 8.6672 8.6708 8.6708 8.6751 9.2016 9.2016 9.2938 9.2938 9.2954 9.2985 10.5788 10.5788 10.5800 10.5857 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2238 -6.2238 -6.2132 -6.2132 -6.1947 -6.1947 -6.1947 -6.1947 1.4968 1.4968 1.5670 1.5670 1.5670 1.5670 2.1001 2.1001 3.0065 3.0065 3.0065 3.0065 3.1295 3.1295 3.1295 3.1295 3.1482 3.1482 3.4653 3.4653 3.4776 3.4776 3.4776 3.4776 4.1840 4.1840 4.3828 4.3828 4.4134 4.4134 4.4134 4.4134 4.5019 4.5019 4.5019 4.5019 4.7613 4.7613 4.8085 4.8085 4.8085 4.8085 4.9104 4.9104 4.9674 4.9674 4.9674 4.9674 6.5757 6.5757 6.6383 6.6383 6.6383 6.6383 8.6728 8.6728 8.6728 8.6728 9.1998 9.1998 9.2935 9.2935 9.2935 9.2935 10.5803 10.5803 10.5803 10.5803 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2238 -6.2238 -6.2132 -6.2132 -6.1947 -6.1947 -6.1947 -6.1947 1.4968 1.4968 1.5670 1.5670 1.5670 1.5670 2.1001 2.1001 3.0065 3.0065 3.0065 3.0065 3.1295 3.1295 3.1295 3.1295 3.1482 3.1482 3.4653 3.4653 3.4776 3.4776 3.4776 3.4776 4.1840 4.1840 4.3828 4.3828 4.4134 4.4134 4.4134 4.4134 4.5019 4.5019 4.5019 4.5019 4.7613 4.7613 4.8085 4.8085 4.8085 4.8085 4.9104 4.9104 4.9674 4.9674 4.9674 4.9674 6.5757 6.5757 6.6383 6.6383 6.6383 6.6383 8.6728 8.6728 8.6728 8.6728 9.1998 9.1998 9.2935 9.2935 9.2935 9.2935 10.5803 10.5803 10.5803 10.5803 k = 0.4875 0.5000 0.4875 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2253 -6.2252 -6.2137 -6.2135 -6.1947 -6.1945 -6.1933 -6.1932 1.4975 1.4975 1.5656 1.5674 1.5683 1.5691 2.1014 2.1014 3.0038 3.0052 3.0061 3.0072 3.1290 3.1292 3.1296 3.1298 3.1479 3.1479 3.4651 3.4652 3.4770 3.4772 3.4773 3.4787 4.1841 4.1841 4.3827 4.3827 4.4053 4.4114 4.4150 4.4191 4.5001 4.5015 4.5025 4.5040 4.7593 4.7594 4.8014 4.8089 4.8128 4.8160 4.9098 4.9098 4.9663 4.9689 4.9698 4.9714 6.5734 6.5734 6.6342 6.6359 6.6360 6.6369 8.6669 8.6702 8.6715 8.6753 9.2015 9.2016 9.2936 9.2943 9.2953 9.2983 10.5785 10.5798 10.5802 10.5843 k = 0.4750 0.5000 0.4750 ( 6780 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2298 -6.2292 -6.2147 -6.2134 -6.1943 -6.1939 -6.1899 -6.1894 1.4995 1.4995 1.5650 1.5695 1.5714 1.5722 2.1052 2.1052 2.9993 3.0025 3.0042 3.0062 3.1272 3.1279 3.1298 3.1303 3.1468 3.1475 3.4636 3.4647 3.4760 3.4766 3.4778 3.4807 4.1842 4.1842 4.3823 4.3823 4.3952 4.4091 4.4158 4.4223 4.4983 4.5015 4.5031 4.5066 4.7544 4.7548 4.7950 4.8129 4.8206 4.8232 4.9086 4.9087 4.9675 4.9745 4.9751 4.9793 6.5664 6.5665 6.6242 6.6279 6.6297 6.6316 8.6563 8.6651 8.6658 8.6760 9.2057 9.2067 9.2952 9.2956 9.3034 9.3093 10.5739 10.5771 10.5829 10.5888 k = 0.4625 0.5000 0.4625 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2366 -6.2354 -6.2152 -6.2126 -6.1937 -6.1928 -6.1858 -6.1846 1.5027 1.5028 1.5652 1.5733 1.5755 1.5767 2.1114 2.1116 2.9931 2.9983 3.0008 3.0035 3.1240 3.1257 3.1297 3.1309 3.1453 3.1476 3.4593 3.4626 3.4749 3.4773 3.4794 3.4839 4.1844 4.1845 4.3806 4.3814 4.3845 4.4067 4.4150 4.4240 4.4962 4.5018 4.5037 4.5099 4.7479 4.7488 4.7898 4.8190 4.8296 4.8308 4.9076 4.9082 4.9707 4.9828 4.9829 4.9902 6.5546 6.5549 6.6086 6.6143 6.6200 6.6228 8.6417 8.6544 8.6600 8.6752 9.2100 9.2136 9.2973 9.2990 9.3174 9.3260 10.5669 10.5713 10.5887 10.5960 k = 0.4500 0.5000 0.4500 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2448 -6.2431 -6.2155 -6.2113 -6.1928 -6.1913 -6.1814 -6.1795 1.5069 1.5072 1.5664 1.5789 1.5801 1.5834 2.1201 2.1204 2.9853 2.9929 2.9960 2.9993 3.1189 3.1223 3.1289 3.1312 3.1441 3.1488 3.4522 3.4577 3.4752 3.4789 3.4829 3.4882 4.1845 4.1848 4.3698 4.3802 4.3817 4.4044 4.4118 4.4256 4.4940 4.5024 4.5043 4.5135 4.7413 4.7424 4.7859 4.8260 4.8351 4.8422 4.9076 4.9090 4.9760 4.9931 4.9931 5.0031 6.5379 6.5385 6.5881 6.5957 6.6071 6.6107 8.6246 8.6406 8.6531 8.6730 9.2120 9.2206 9.2993 9.3053 9.3360 9.3469 10.5584 10.5640 10.5974 10.6063 k = 0.4375 0.5000 0.4375 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9301 -23.9301 -6.2540 -6.2521 -6.2158 -6.2099 -6.1916 -6.1891 -6.1768 -6.1743 1.5120 1.5125 1.5687 1.5855 1.5861 1.5919 2.1309 2.1315 2.9762 2.9862 2.9898 2.9940 3.1122 3.1175 3.1275 3.1302 3.1441 3.1510 3.4428 3.4501 3.4769 3.4809 3.4880 3.4937 4.1845 4.1849 4.3564 4.3783 4.3803 4.4025 4.4062 4.4274 4.4916 4.5030 4.5049 4.5170 4.7350 4.7361 4.7833 4.8333 4.8395 4.8543 4.9089 4.9116 4.9833 5.0043 5.0059 5.0171 6.5163 6.5171 6.5636 6.5728 6.5915 6.5958 8.6062 8.6252 8.6452 8.6695 9.2102 9.2258 9.3020 9.3143 9.3575 9.3702 10.5496 10.5562 10.6095 10.6198 k = 0.4250 0.5000 0.4250 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9301 -23.9301 -6.2641 -6.2619 -6.2164 -6.2088 -6.1897 -6.1862 -6.1720 -6.1688 1.5177 1.5182 1.5723 1.5918 1.5949 1.6022 2.1437 2.1449 2.9659 2.9786 2.9825 2.9876 3.1040 3.1112 3.1252 3.1279 3.1455 3.1543 3.4312 3.4403 3.4796 3.4836 3.4944 3.5003 4.1842 4.1847 4.3428 4.3757 4.3785 4.3989 4.4012 4.4298 4.4891 4.5037 4.5055 4.5202 4.7296 4.7302 4.7820 4.8404 4.8431 4.8668 4.9115 4.9161 4.9924 5.0157 5.0211 5.0314 6.4902 6.4911 6.5358 6.5465 6.5734 6.5783 8.5878 8.6093 8.6364 8.6647 9.2040 9.2276 9.3057 9.3251 9.3795 9.3939 10.5415 10.5489 10.6254 10.6369 k = 0.4125 0.5000 0.4125 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9302 -23.9302 -23.9301 -23.9300 -6.2749 -6.2726 -6.2174 -6.2084 -6.1871 -6.1826 -6.1670 -6.1632 1.5238 1.5238 1.5776 1.5991 1.6052 1.6142 2.1584 2.1602 2.9547 2.9701 2.9743 2.9804 3.0946 3.1034 3.1223 3.1246 3.1479 3.1581 3.4178 3.4285 3.4831 3.4870 3.5019 3.5077 4.1833 4.1840 4.3293 4.3722 4.3761 4.3909 4.4005 4.4325 4.4867 4.5044 4.5060 4.5229 4.7250 4.7253 4.7820 4.8462 4.8472 4.8793 4.9150 4.9223 5.0034 5.0269 5.0384 5.0456 6.4601 6.4609 6.5058 6.5175 6.5529 6.5583 8.5701 8.5939 8.6269 8.6589 9.1934 9.2244 9.3105 9.3366 9.4001 9.4161 10.5352 10.5434 10.6456 10.6581 k = 0.4000 0.5000 0.4000 ( 6812 PWs) bands (ev): -48.3761 -48.3761 -26.0098 -26.0098 -23.9302 -23.9302 -23.9300 -23.9300 -6.2863 -6.2840 -6.2189 -6.2088 -6.1834 -6.1783 -6.1617 -6.1574 1.5290 1.5301 1.5846 1.6074 1.6171 1.6279 2.1747 2.1773 2.9427 2.9608 2.9653 2.9726 3.0843 3.0944 3.1187 3.1207 3.1510 3.1625 3.4027 3.4151 3.4876 3.4912 3.5103 3.5160 4.1818 4.1824 4.3165 4.3674 4.3732 4.3831 4.4003 4.4354 4.4843 4.5050 4.5065 4.5249 4.7206 4.7224 4.7830 4.8491 4.8535 4.8911 4.9195 4.9299 5.0162 5.0373 5.0564 5.0600 6.4270 6.4274 6.4741 6.4863 6.5301 6.5359 8.5537 8.5795 8.6169 8.6521 9.1784 9.2157 9.3157 9.3474 9.4178 9.4355 10.5316 10.5406 10.6705 10.6837 k = 0.3875 0.5000 0.3875 ( 6802 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9301 -23.9301 -23.9299 -23.9299 -6.2984 -6.2961 -6.2210 -6.2101 -6.1789 -6.1732 -6.1560 -6.1513 1.5332 1.5362 1.5937 1.6167 1.6305 1.6430 2.1922 2.1959 2.9302 2.9509 2.9557 2.9643 3.0734 3.0844 3.1148 3.1165 3.1547 3.1675 3.3860 3.4001 3.4929 3.4962 3.5195 3.5250 4.1794 4.1797 4.3049 4.3611 4.3701 4.3766 4.4006 4.4387 4.4823 4.5056 4.5069 4.5264 4.7171 4.7211 4.7852 4.8523 4.8594 4.9018 4.9253 4.9387 5.0305 5.0466 5.0698 5.0795 6.3916 6.3919 6.4412 6.4535 6.5052 6.5112 8.5389 8.5665 8.6065 8.6446 9.1593 9.2015 9.3201 9.3565 9.4314 9.4511 10.5315 10.5412 10.7006 10.7142 k = 0.3750 0.5000 0.3750 ( 6794 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9301 -23.9301 -23.9299 -23.9299 -6.3111 -6.3088 -6.2237 -6.2123 -6.1735 -6.1675 -6.1499 -6.1448 1.5365 1.5419 1.6045 1.6270 1.6453 1.6595 2.2108 2.2157 2.9174 2.9406 2.9457 2.9557 3.0620 3.0736 3.1107 3.1122 3.1586 3.1727 3.3679 3.3838 3.4992 3.5021 3.5294 3.5347 4.1756 4.1759 4.2947 4.3534 4.3667 4.3717 4.4010 4.4422 4.4807 4.5062 4.5072 4.5274 4.7148 4.7214 4.7883 4.8558 4.8645 4.9105 4.9329 4.9482 5.0460 5.0547 5.0801 5.1016 6.3545 6.3557 6.4076 6.4196 6.4781 6.4842 8.5260 8.5552 8.5959 8.6365 9.1362 9.1823 9.3225 9.3628 9.4405 9.4625 10.5352 10.5459 10.7362 10.7499 k = 0.3625 0.5000 0.3625 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9301 -23.9301 -23.9298 -23.9298 -6.3242 -6.3220 -6.2270 -6.2153 -6.1674 -6.1611 -6.1434 -6.1381 1.5388 1.5470 1.6169 1.6383 1.6615 1.6772 2.2300 2.2364 2.9043 2.9300 2.9353 2.9469 3.0505 3.0620 3.1066 3.1080 3.1629 3.1781 3.3486 3.3664 3.5063 3.5090 3.5399 3.5448 4.1699 4.1711 4.2862 4.3453 4.3633 4.3680 4.4014 4.4457 4.4796 4.5066 4.5073 4.5278 4.7136 4.7234 4.7924 4.8597 4.8691 4.9168 4.9422 4.9579 5.0587 5.0652 5.0882 5.1248 6.3173 6.3195 6.3737 6.3852 6.4489 6.4549 8.5150 8.5456 8.5851 8.6278 9.1094 9.1583 9.3220 9.3656 9.4450 9.4693 10.5432 10.5549 10.7775 10.7912 k = 0.3500 0.5000 0.3500 ( 6806 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9301 -23.9301 -23.9297 -23.9297 -6.3378 -6.3356 -6.2308 -6.2190 -6.1607 -6.1542 -6.1366 -6.1311 1.5402 1.5514 1.6303 1.6506 1.6788 1.6960 2.2496 2.2576 2.8912 2.9192 2.9248 2.9381 3.0390 3.0500 3.1027 3.1042 3.1673 3.1838 3.3283 3.3481 3.5144 3.5168 3.5511 3.5555 4.1625 4.1650 4.2795 4.3375 4.3600 4.3652 4.4016 4.4492 4.4791 4.5070 4.5073 4.5277 4.7138 4.7272 4.7974 4.8641 4.8730 4.9213 4.9525 4.9675 5.0632 5.0828 5.0938 5.1489 6.2806 6.2840 6.3398 6.3506 6.4178 6.4237 8.5060 8.5378 8.5742 8.6187 9.0793 9.1302 9.3178 9.3643 9.4449 9.4718 10.5553 10.5682 10.8246 10.8381 k = 0.3375 0.5000 0.3375 ( 6808 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9300 -23.9300 -23.9296 -23.9296 -6.3517 -6.3496 -6.2352 -6.2233 -6.1534 -6.1468 -6.1293 -6.1237 1.5407 1.5550 1.6446 1.6635 1.6972 1.7156 2.2691 2.2790 2.8782 2.9084 2.9143 2.9293 3.0278 3.0377 3.0993 3.1009 3.1721 3.1897 3.3072 3.3293 3.5233 3.5257 3.5627 3.5665 4.1537 4.1577 4.2744 4.3301 4.3567 4.3633 4.4013 4.4527 4.4795 4.5072 4.5073 4.5272 4.7153 4.7326 4.8033 4.8689 4.8763 4.9246 4.9631 4.9767 5.0648 5.0968 5.1022 5.1735 6.2451 6.2498 6.3064 6.3162 6.3852 6.3907 8.4990 8.5318 8.5633 8.6091 9.0464 9.0985 9.3097 9.3586 9.4406 9.4701 10.5715 10.5856 10.8774 10.8906 k = 0.3250 0.5000 0.3250 ( 6798 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9300 -23.9300 -23.9295 -23.9295 -6.3660 -6.3639 -6.2400 -6.2281 -6.1457 -6.1389 -6.1217 -6.1161 1.5403 1.5575 1.6594 1.6770 1.7165 1.7359 2.2884 2.3002 2.8654 2.8979 2.9038 2.9206 3.0169 3.0252 3.0966 3.0984 3.1771 3.1958 3.2857 3.3102 3.5332 3.5355 3.5748 3.5780 4.1438 4.1491 4.2707 4.3234 4.3536 4.3624 4.4005 4.4560 4.4807 4.5070 4.5075 4.5263 4.7183 4.7397 4.8102 4.8741 4.8789 4.9269 4.9736 4.9851 5.0639 5.0970 5.1226 5.1986 6.2110 6.2173 6.2738 6.2825 6.3514 6.3565 8.4939 8.5275 8.5524 8.5991 9.0115 9.0639 9.2974 9.3483 9.4326 9.4646 10.5914 10.6069 10.9354 10.9484 k = 0.3125 0.5000 0.3125 ( 6798 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9300 -23.9300 -23.9294 -23.9294 -6.3805 -6.3785 -6.2452 -6.2335 -6.1375 -6.1306 -6.1138 -6.1081 1.5391 1.5589 1.6745 1.6909 1.7365 1.7566 2.3069 2.3207 2.8529 2.8877 2.8936 2.9122 3.0066 3.0128 3.0946 3.0965 3.1823 3.2020 3.2641 3.2913 3.5440 3.5465 3.5873 3.5898 4.1332 4.1396 4.2678 4.3173 4.3505 4.3624 4.3990 4.4592 4.4828 4.5067 4.5076 4.5250 4.7225 4.7480 4.8182 4.8798 4.8808 4.9283 4.9840 4.9923 5.0610 5.0942 5.1438 5.2239 6.1783 6.1865 6.2425 6.2496 6.3171 6.3217 8.4907 8.5245 8.5414 8.5886 8.9755 9.0273 9.2811 9.3335 9.4213 9.4557 10.6145 10.6314 10.9983 11.0111 k = 0.3000 0.5000 0.3000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0095 -26.0095 -23.9299 -23.9299 -23.9293 -23.9293 -6.3951 -6.3932 -6.2508 -6.2392 -6.1290 -6.1219 -6.1056 -6.1000 1.5369 1.5591 1.6896 1.7049 1.7569 1.7775 2.3246 2.3405 2.8409 2.8780 2.8837 2.9040 2.9968 3.0006 3.0933 3.0950 3.1877 3.2081 3.2431 3.2732 3.5557 3.5585 3.6002 3.6020 4.1223 4.1295 4.2656 4.3116 4.3475 4.3632 4.3968 4.4620 4.4858 4.5064 4.5078 4.5236 4.7282 4.7574 4.8271 4.8820 4.8858 4.9288 4.9941 4.9979 5.0565 5.0887 5.1655 5.2492 6.1465 6.1568 6.2125 6.2178 6.2832 6.2873 8.4893 8.5227 8.5299 8.5775 8.9394 8.9896 9.2608 9.3145 9.4074 9.4438 10.6403 10.6586 11.0654 11.0783 k = 0.2875 0.5000 0.2875 ( 6794 PWs) bands (ev): -48.3760 -48.3760 -26.0095 -26.0095 -23.9299 -23.9299 -23.9293 -23.9292 -6.4098 -6.4081 -6.2567 -6.2453 -6.1203 -6.1130 -6.0971 -6.0916 1.5337 1.5581 1.7046 1.7189 1.7776 1.7983 2.3412 2.3591 2.8294 2.8691 2.8742 2.8961 2.9876 2.9887 3.0922 3.0934 3.1933 3.2125 3.2250 3.2567 3.5683 3.5716 3.6136 3.6145 4.1114 4.1188 4.2638 4.3063 4.3445 4.3648 4.3939 4.4643 4.4895 4.5060 4.5080 4.5222 4.7349 4.7674 4.8371 4.8822 4.8921 4.9283 5.0008 5.0041 5.0518 5.0806 5.1876 5.2745 6.1147 6.1270 6.1842 6.1873 6.2511 6.2549 8.4897 8.5178 8.5209 8.5663 8.9043 8.9517 9.2370 9.2916 9.3911 9.4294 10.6681 10.6878 11.1361 11.1492 k = 0.2750 0.5000 0.2750 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9299 -23.9299 -23.9291 -23.9291 -6.4245 -6.4229 -6.2629 -6.2517 -6.1113 -6.1039 -6.0884 -6.0831 1.5295 1.5558 1.7192 1.7327 1.7982 1.8189 2.3566 2.3764 2.8186 2.8610 2.8653 2.8885 2.9774 2.9791 3.0905 3.0910 3.1991 3.2028 3.2237 3.2428 3.5818 3.5859 3.6273 3.6274 4.1008 4.1079 4.2622 4.3014 4.3415 4.3670 4.3903 4.4660 4.4936 4.5058 4.5086 4.5211 4.7427 4.7779 4.8481 4.8814 4.8986 4.9268 4.9995 5.0139 5.0491 5.0703 5.2099 5.2995 6.0816 6.0954 6.1577 6.1586 6.2221 6.2261 8.4917 8.5046 8.5167 8.5566 8.8716 8.9149 9.2099 9.2653 9.3731 9.4130 10.6974 10.7186 11.2095 11.2231 k = 0.2625 0.5000 0.2625 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9298 -23.9298 -23.9290 -23.9290 -6.4392 -6.4377 -6.2692 -6.2583 -6.1021 -6.0946 -6.0796 -6.0745 1.5244 1.5521 1.7333 1.7460 1.8185 1.8390 2.3708 2.3924 2.8086 2.8538 2.8571 2.8813 2.9667 2.9712 3.0867 3.0867 3.1897 3.2049 3.2297 3.2326 3.5962 3.6014 3.6407 3.6415 4.0905 4.0970 4.2607 4.2968 4.3385 4.3696 4.3860 4.4666 4.4974 4.5056 4.5100 4.5206 4.7512 4.7885 4.8598 4.8794 4.9054 4.9243 4.9927 5.0233 5.0502 5.0586 5.2324 5.3242 6.0459 6.0601 6.1327 6.1332 6.1977 6.2022 8.4891 8.4960 8.5057 8.5522 8.8424 8.8803 9.1801 9.2360 9.3535 9.3948 10.7276 10.7501 11.2849 11.2993 k = 0.2500 0.5000 0.2500 ( 6786 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9298 -23.9298 -23.9289 -23.9289 -6.4538 -6.4524 -6.2757 -6.2651 -6.0928 -6.0851 -6.0706 -6.0658 1.5182 1.5470 1.7467 1.7587 1.8384 1.8584 2.3838 2.4070 2.7994 2.8477 2.8496 2.8745 2.9568 2.9638 3.0790 3.0798 3.1820 3.2107 3.2271 3.2363 3.6116 3.6180 3.6543 3.6561 4.0808 4.0862 4.2591 4.2924 4.3355 4.3724 4.3813 4.4660 4.4999 4.5055 4.5131 4.5210 4.7599 4.7988 4.8715 4.8764 4.9119 4.9213 4.9814 5.0297 5.0487 5.0550 5.2549 5.3484 6.0069 6.0200 6.1102 6.1108 6.1784 6.1835 8.4719 8.4866 8.5011 8.5537 8.8178 8.8491 9.1481 9.2045 9.3328 9.3752 10.7579 10.7819 11.3614 11.3769 k = 0.2375 0.5000 0.2375 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9298 -23.9298 -23.9288 -23.9288 -6.4681 -6.4668 -6.2822 -6.2720 -6.0834 -6.0757 -6.0616 -6.0571 1.5109 1.5405 1.7593 1.7706 1.8576 1.8769 2.3955 2.4203 2.7912 2.8426 2.8429 2.8682 2.9477 2.9570 3.0671 3.0701 3.1804 3.2162 3.2266 3.2430 3.6279 3.6357 3.6683 3.6712 4.0717 4.0758 4.2575 4.2884 4.3325 4.3752 4.3763 4.4639 4.5010 4.5056 4.5180 4.5227 4.7687 4.8088 4.8713 4.8839 4.9140 4.9221 4.9676 5.0228 5.0518 5.0629 5.2773 5.3720 5.9647 5.9759 6.0908 6.0908 6.1640 6.1698 8.4515 8.4613 8.5079 8.5590 8.7984 8.8224 9.1142 9.1711 9.3111 9.3544 10.7879 10.8133 11.4381 11.4550 k = 0.2250 0.5000 0.2250 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9297 -23.9297 -23.9287 -23.9287 -6.4822 -6.4810 -6.2888 -6.2789 -6.0740 -6.0662 -6.0526 -6.0484 1.5028 1.5327 1.7709 1.7815 1.8759 1.8944 2.4063 2.4325 2.7841 2.8370 2.8386 2.8624 2.9394 2.9508 3.0517 3.0578 3.1841 3.2217 3.2303 3.2498 3.6451 3.6545 3.6828 3.6867 4.0632 4.0657 4.2557 4.2847 4.3296 4.3711 4.3780 4.4605 4.5010 4.5059 4.5238 4.5256 4.7768 4.8179 4.8655 4.8943 4.9097 4.9285 4.9531 5.0087 5.0623 5.0732 5.2995 5.3946 5.9198 5.9287 6.0733 6.0745 6.1539 6.1603 8.4277 8.4314 8.5161 8.5669 8.7842 8.8011 9.0789 9.1365 9.2887 9.3329 10.8170 10.8437 11.5139 11.5327 k = 0.2125 0.5000 0.2125 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0092 -26.0092 -23.9297 -23.9297 -23.9286 -23.9286 -6.4959 -6.4948 -6.2953 -6.2858 -6.0647 -6.0569 -6.0437 -6.0398 1.4937 1.5237 1.7815 1.7914 1.8932 1.9108 2.4160 2.4435 2.7779 2.8319 2.8358 2.8573 2.9321 2.9451 3.0346 3.0440 3.1914 3.2280 3.2364 3.2565 3.6630 3.6742 3.6977 3.7028 4.0556 4.0562 4.2537 4.2814 4.3268 4.3659 4.3805 4.4560 4.5006 4.5065 4.5294 4.5301 4.7837 4.8250 4.8595 4.9008 4.9041 4.9355 4.9416 4.9940 5.0748 5.0857 5.3214 5.4162 5.8731 5.8794 6.0584 6.0610 6.1473 6.1542 8.3982 8.4006 8.5258 8.5765 8.7748 8.7855 9.0428 9.1013 9.2657 9.3106 10.8445 10.8725 11.5880 11.6090 k = 0.2000 0.5000 0.2000 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9297 -23.9297 -23.9286 -23.9285 -6.5092 -6.5083 -6.3018 -6.2927 -6.0556 -6.0477 -6.0348 -6.0313 1.4839 1.5136 1.7909 1.8002 1.9093 1.9258 2.4250 2.4536 2.7728 2.8275 2.8339 2.8528 2.9256 2.9399 3.0171 3.0294 3.2007 3.2352 3.2437 3.2632 3.6816 3.6946 3.7132 3.7195 4.0472 4.0486 4.2514 4.2783 4.3243 4.3609 4.3826 4.4506 4.4997 4.5072 4.5340 4.5363 4.7887 4.8268 4.8560 4.8980 4.8981 4.9389 4.9414 4.9812 5.0884 5.0999 5.3427 5.4364 5.8250 5.8287 6.0462 6.0505 6.1434 6.1507 8.3627 8.3705 8.5367 8.5875 8.7695 8.7755 9.0063 9.0659 9.2423 9.2878 10.8700 10.8994 11.6591 11.6827 k = 0.1875 0.5000 0.1875 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0091 -26.0091 -23.9296 -23.9296 -23.9285 -23.9285 -6.5221 -6.5212 -6.3081 -6.2994 -6.0466 -6.0387 -6.0262 -6.0230 1.4735 1.5025 1.7992 1.8077 1.9241 1.9395 2.4331 2.4627 2.7688 2.8236 2.8331 2.8493 2.9202 2.9353 2.9999 3.0149 3.2113 3.2428 3.2519 3.2697 3.7006 3.7154 3.7293 3.7370 4.0387 4.0423 4.2489 4.2756 4.3222 4.3562 4.3843 4.4447 4.4984 4.5082 4.5390 4.5423 4.7913 4.8204 4.8560 4.8891 4.8911 4.9440 4.9449 4.9743 5.1029 5.1156 5.3633 5.4549 5.7764 5.7771 6.0370 6.0431 6.1417 6.1493 8.3262 8.3382 8.5488 8.5998 8.7675 8.7707 8.9699 9.0311 9.2187 9.2647 10.8931 10.9238 11.7262 11.7527 k = 0.1750 0.5000 0.1750 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0091 -26.0091 -23.9296 -23.9296 -23.9284 -23.9284 -6.5344 -6.5336 -6.3142 -6.3060 -6.0378 -6.0300 -6.0177 -6.0149 1.4625 1.4907 1.8063 1.8141 1.9376 1.9518 2.4405 2.4709 2.7657 2.8200 2.8332 2.8467 2.9156 2.9312 2.9839 3.0010 3.2223 3.2503 3.2605 3.2761 3.7199 3.7361 3.7461 3.7554 4.0309 4.0368 4.2462 4.2732 4.3208 4.3519 4.3856 4.4386 4.4967 4.5095 4.5441 4.5479 4.7908 4.8085 4.8509 4.8826 4.8857 4.9421 4.9540 4.9760 5.1181 5.1320 5.3829 5.4713 5.7252 5.7276 6.0308 6.0389 6.1416 6.1494 8.2894 8.3044 8.5620 8.6131 8.7678 8.7701 8.9340 8.9975 9.1950 9.2413 10.9133 10.9452 11.7879 11.8178 k = 0.1625 0.5000 0.1625 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0090 -26.0090 -23.9296 -23.9296 -23.9283 -23.9283 -6.5462 -6.5455 -6.3201 -6.3124 -6.0293 -6.0216 -6.0095 -6.0071 1.4513 1.4782 1.8122 1.8194 1.9498 1.9627 2.4472 2.4781 2.7636 2.8167 2.8341 2.8450 2.9119 2.9276 2.9693 2.9881 3.2334 3.2576 3.2694 3.2822 3.7392 3.7562 3.7636 3.7750 4.0236 4.0318 4.2433 4.2712 4.3200 4.3481 4.3863 4.4325 4.4946 4.5111 4.5490 4.5528 4.7874 4.7939 4.8369 4.8715 4.8916 4.9406 4.9643 4.9828 5.1337 5.1487 5.4010 5.4854 5.6735 5.6792 6.0278 6.0381 6.1428 6.1508 8.2531 8.2702 8.5763 8.6271 8.7694 8.7730 8.8994 8.9661 9.1712 9.2177 10.9303 10.9632 11.8428 11.8766 k = 0.1500 0.5000 0.1500 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0090 -26.0090 -23.9296 -23.9296 -23.9282 -23.9282 -6.5573 -6.5566 -6.3256 -6.3185 -6.0212 -6.0137 -6.0017 -5.9996 1.4399 1.4654 1.8171 1.8235 1.9607 1.9723 2.4532 2.4842 2.7622 2.8134 2.8356 2.8443 2.9090 2.9246 2.9565 2.9765 3.2441 3.2647 3.2780 3.2880 3.7582 3.7754 3.7819 3.7956 4.0169 4.0273 4.2406 4.2694 4.3201 4.3449 4.3865 4.4266 4.4919 4.5131 4.5534 4.5569 4.7778 4.7813 4.8191 4.8575 4.9014 4.9426 4.9753 4.9917 5.1495 5.1650 5.4173 5.4967 5.6223 5.6316 6.0282 6.0408 6.1449 6.1530 8.2179 8.2361 8.5915 8.6416 8.7711 8.7777 8.8672 8.9379 9.1474 9.1941 10.9437 10.9776 11.8891 11.9278 k = 0.1375 0.5000 0.1375 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0089 -26.0089 -23.9295 -23.9295 -23.9281 -23.9281 -6.5677 -6.5671 -6.3309 -6.3243 -6.0134 -6.0062 -5.9942 -5.9925 1.4286 1.4525 1.8209 1.8267 1.9702 1.9805 2.4584 2.4893 2.7617 2.8102 2.8376 2.8445 2.9069 2.9221 2.9457 2.9665 3.2543 3.2715 3.2860 3.2935 3.7768 3.7938 3.8008 3.8169 4.0107 4.0231 4.2384 4.2680 4.3211 4.3424 4.3862 4.4214 4.4886 4.5154 4.5572 4.5604 4.7609 4.7732 4.7999 4.8415 4.9130 4.9483 4.9868 5.0017 5.1652 5.1806 5.4312 5.5049 5.5722 5.5853 6.0320 6.0467 6.1477 6.1558 8.1843 8.2028 8.6075 8.6561 8.7714 8.7808 8.8406 8.9146 9.1238 9.1704 10.9535 10.9881 11.9229 11.9699 k = 0.1250 0.5000 0.1250 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0089 -26.0089 -23.9295 -23.9295 -23.9280 -23.9280 -6.5773 -6.5768 -6.3358 -6.3297 -6.0061 -5.9992 -5.9872 -5.9858 1.4176 1.4397 1.8239 1.8291 1.9785 1.9876 2.4629 2.4931 2.7617 2.8070 2.8399 2.8453 2.9056 2.9201 2.9370 2.9580 3.2639 3.2781 3.2934 3.2986 3.7949 3.8115 3.8202 3.8381 4.0049 4.0190 4.2369 4.2670 4.3229 4.3406 4.3854 4.4169 4.4847 4.5180 4.5599 4.5631 4.7440 4.7638 4.7800 4.8240 4.9256 4.9570 4.9988 5.0124 5.1804 5.1950 5.4425 5.5091 5.5245 5.5410 6.0392 6.0556 6.1510 6.1590 8.1527 8.1710 8.6242 8.6696 8.7693 8.7737 8.8280 8.8979 9.1005 9.1467 10.9595 10.9944 11.9291 11.9619 k = 0.1125 0.5000 0.1125 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0089 -26.0089 -23.9295 -23.9295 -23.9280 -23.9280 -6.5862 -6.5858 -6.3403 -6.3348 -5.9993 -5.9929 -5.9806 -5.9795 1.4071 1.4273 1.8260 1.8306 1.9856 1.9935 2.4667 2.4956 2.7623 2.8039 2.8423 2.8465 2.9050 2.9186 2.9304 2.9510 3.2728 3.2843 3.3000 3.3033 3.8125 3.8286 3.8396 3.8589 3.9994 4.0149 4.2365 4.2662 4.3256 4.3396 4.3841 4.4131 4.4799 4.5208 4.5613 4.5651 4.7273 4.7536 4.7597 4.8055 4.9389 4.9677 5.0112 5.0236 5.1948 5.2079 5.4499 5.4754 5.4997 5.5134 6.0495 6.0670 6.1546 6.1626 8.1234 8.1409 8.6411 8.6802 8.7540 8.7656 8.8318 8.8885 9.0774 9.1230 10.9618 10.9966 11.8927 11.9008 k = 0.1000 0.5000 0.1000 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9295 -23.9295 -23.9279 -23.9279 -6.5942 -6.5939 -6.3444 -6.3395 -5.9931 -5.9871 -5.9747 -5.9738 1.3972 1.4153 1.8276 1.8316 1.9917 1.9985 2.4699 2.4970 2.7633 2.8009 2.8448 2.8479 2.9051 2.9175 2.9257 2.9455 3.2808 3.2901 3.3056 3.3074 3.8296 3.8449 3.8587 3.8786 3.9942 4.0104 4.2376 4.2657 4.3291 4.3395 4.3825 4.4100 4.4745 4.5236 4.5615 4.5668 4.7115 4.7396 4.7432 4.7864 4.9528 4.9799 5.0237 5.0351 5.2081 5.2190 5.4311 5.4457 5.4696 5.5125 6.0624 6.0801 6.1585 6.1664 8.0966 8.1130 8.6574 8.6846 8.7316 8.7642 8.8427 8.8854 9.0550 9.0995 10.9608 10.9947 11.8438 11.8438 k = 0.0875 0.5000 0.0875 ( 6780 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6014 -6.6011 -6.3481 -6.3437 -5.9874 -5.9820 -5.9693 -5.9686 1.3881 1.4041 1.8286 1.8320 1.9967 2.0025 2.4725 2.4974 2.7647 2.7980 2.8471 2.8493 2.9057 2.9169 2.9229 2.9413 3.2880 3.2955 3.3104 3.3111 3.8461 3.8604 3.8772 3.8969 3.9892 4.0055 4.2402 4.2656 4.3334 4.3406 4.3809 4.4076 4.4685 4.5257 4.5608 4.5682 4.6966 4.7205 4.7329 4.7670 4.9673 4.9930 5.0361 5.0469 5.2199 5.2281 5.3895 5.4157 5.4658 5.5095 6.0770 6.0941 6.1625 6.1704 8.0726 8.0875 8.6695 8.6803 8.7146 8.7694 8.8559 8.8863 9.0333 9.0761 10.9568 10.9891 11.7929 11.7969 k = 0.0750 0.5000 0.0750 ( 6782 PWs) bands (ev): -48.3760 -48.3760 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6077 -6.6075 -6.3512 -6.3475 -5.9823 -5.9776 -5.9645 -5.9640 1.3800 1.3939 1.8293 1.8321 2.0009 2.0057 2.4747 2.4968 2.7664 2.7951 2.8491 2.8507 2.9067 2.9166 2.9215 2.9381 3.2944 3.3004 3.3142 3.3142 3.8621 3.8750 3.8946 3.9133 3.9842 3.9999 4.2441 4.2657 4.3381 4.3431 4.3792 4.4055 4.4622 4.5255 4.5605 4.5696 4.6823 4.7037 4.7229 4.7472 4.9824 5.0067 5.0479 5.0586 5.2295 5.2350 5.3518 5.3829 5.4662 5.5045 6.0924 6.1079 6.1667 6.1746 8.0516 8.0647 8.6673 8.6693 8.7145 8.7809 8.8697 8.8888 9.0127 9.0529 10.9507 10.9804 11.7492 11.7551 k = 0.0625 0.5000 0.0625 ( 6796 PWs) bands (ev): -48.3761 -48.3761 -26.0088 -26.0088 -23.9294 -23.9294 -23.9278 -23.9278 -6.6131 -6.6129 -6.3539 -6.3507 -5.9779 -5.9738 -5.9604 -5.9600 1.3731 1.3848 1.8296 1.8320 2.0043 2.0082 2.4765 2.4955 2.7683 2.7923 2.8508 2.8519 2.9080 2.9164 2.9213 2.9358 3.3000 3.3047 3.3167 3.3171 3.8774 3.8886 3.9105 3.9276 3.9790 3.9936 4.2489 4.2660 4.3435 4.3472 4.3778 4.4033 4.4560 4.5208 4.5627 4.5713 4.6677 4.6912 4.7131 4.7277 4.9981 5.0204 5.0586 5.0699 5.2358 5.2391 5.3197 5.3535 5.4658 5.4980 6.1073 6.1204 6.1711 6.1791 8.0337 8.0449 8.6538 8.6558 8.7287 8.7959 8.8833 8.8911 8.9939 9.0300 10.9433 10.9697 11.7130 11.7196 k = 0.0500 0.5000 0.0500 ( 6812 PWs) bands (ev): -48.3762 -48.3762 -26.0088 -26.0088 -23.9294 -23.9294 -23.9277 -23.9277 -6.6175 -6.6173 -6.3560 -6.3535 -5.9742 -5.9709 -5.9570 -5.9567 1.3675 1.3768 1.8298 1.8316 2.0070 2.0100 2.4781 2.4937 2.7703 2.7896 2.8522 2.8529 2.9095 2.9164 2.9220 2.9340 3.3048 3.3085 3.3187 3.3192 3.8919 3.9010 3.9247 3.9393 3.9737 3.9864 4.2541 4.2665 4.3497 4.3525 4.3766 4.4009 4.4505 4.5113 4.5680 4.5733 4.6530 4.6835 4.7019 4.7103 5.0143 5.0338 5.0674 5.0799 5.2358 5.2396 5.2967 5.3291 5.4648 5.4908 6.1207 6.1307 6.1759 6.1837 8.0190 8.0282 8.6396 8.6424 8.7468 8.8117 8.8919 8.8960 8.9777 9.0075 10.9358 10.9580 11.6843 11.6907 k = 0.0375 0.5000 0.0375 ( 6812 PWs) bands (ev): -48.3762 -48.3762 -26.0088 -26.0088 -23.9294 -23.9294 -23.9277 -23.9277 -6.6210 -6.6208 -6.3577 -6.3557 -5.9712 -5.9686 -5.9543 -5.9541 1.3633 1.3703 1.8299 1.8313 2.0091 2.0113 2.4797 2.4915 2.7725 2.7870 2.8533 2.8536 2.9110 2.9162 2.9233 2.9325 3.3088 3.3115 3.3201 3.3205 3.9054 3.9122 3.9367 3.9482 3.9682 3.9786 4.2589 4.2671 4.3566 4.3590 4.3756 4.3978 4.4467 4.4984 4.5755 4.5760 4.6399 4.6796 4.6852 4.6998 5.0309 5.0464 5.0739 5.0874 5.2275 5.2358 5.2863 5.3112 5.4639 5.4836 6.1315 6.1384 6.1811 6.1881 8.0078 8.0147 8.6278 8.6307 8.7659 8.8259 8.8913 8.9073 8.9647 8.9857 10.9293 10.9465 11.6630 11.6684 k = 0.0250 0.5000 0.0250 ( 6828 PWs) bands (ev): -48.3762 -48.3762 -26.0088 -26.0088 -23.9294 -23.9294 -23.9277 -23.9277 -6.6234 -6.6234 -6.3587 -6.3574 -5.9689 -5.9672 -5.9524 -5.9522 1.3605 1.3652 1.8300 1.8309 2.0107 2.0121 2.4813 2.4893 2.7747 2.7844 2.8540 2.8542 2.9125 2.9160 2.9249 2.9312 3.3119 3.3138 3.3209 3.3212 3.9176 3.9219 3.9463 3.9541 3.9626 3.9704 4.2627 4.2675 4.3627 4.3670 4.3746 4.3939 4.4458 4.4837 4.5794 4.5833 4.6306 4.6670 4.6785 4.6925 5.0476 5.0577 5.0773 5.0905 5.2164 5.2279 5.2848 5.2998 5.4637 5.4769 6.1392 6.1434 6.1861 6.1915 8.0000 8.0047 8.6193 8.6216 8.7850 8.8339 8.8927 8.9163 8.9553 8.9653 10.9247 10.9365 11.6485 11.6523 k = 0.0125 0.5000 0.0125 ( 6824 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6249 -6.6249 -6.3592 -6.3586 -5.9673 -5.9664 -5.9512 -5.9511 1.3593 1.3617 1.8301 1.8306 2.0117 2.0124 2.4830 2.4871 2.7771 2.7819 2.8544 2.8545 2.9138 2.9155 2.9267 2.9298 3.3141 3.3151 3.3213 3.3214 3.9277 3.9295 3.9530 3.9566 3.9579 3.9625 4.2654 4.2675 4.3675 4.3733 4.3754 4.3890 4.4490 4.4693 4.5834 4.5880 4.6287 4.6501 4.6796 4.6868 5.0635 5.0670 5.0775 5.0874 5.2103 5.2186 5.2865 5.2933 5.4646 5.4713 6.1440 6.1460 6.1904 6.1933 7.9958 7.9981 8.6144 8.6156 8.8032 8.8311 8.9009 8.9205 8.9486 8.9492 10.9228 10.9288 11.6404 11.6424 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -48.3762 -48.3762 -26.0087 -26.0087 -23.9294 -23.9294 -23.9277 -23.9277 -6.6254 -6.6254 -6.3592 -6.3592 -5.9665 -5.9665 -5.9508 -5.9508 1.3597 1.3597 1.8303 1.8303 2.0123 2.0123 2.4850 2.4850 2.7795 2.7795 2.8546 2.8546 2.9148 2.9148 2.9283 2.9283 3.3153 3.3153 3.3214 3.3214 3.9325 3.9325 3.9560 3.9560 3.9575 3.9575 4.2669 4.2669 4.3711 4.3711 4.3829 4.3829 4.4571 4.4571 4.5871 4.5871 4.6362 4.6362 4.6824 4.6824 5.0731 5.0731 5.0784 5.0784 5.2116 5.2116 5.2894 5.2894 5.4672 5.4672 6.1462 6.1462 6.1929 6.1929 7.9952 7.9952 8.6132 8.6132 8.8194 8.8194 8.9135 8.9135 8.9447 8.9447 10.9242 10.9242 11.6384 11.6384 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3602 -6.3602 -6.2265 -6.2265 -6.2035 -6.2035 -6.1069 -6.1069 1.6710 1.6710 1.7875 1.7875 1.8596 1.8596 2.7600 2.7600 2.8463 2.8463 2.8803 2.8803 2.9236 2.9236 2.9390 2.9390 2.9818 2.9818 3.2931 3.2931 3.4783 3.4783 3.5027 3.5027 4.0812 4.0812 4.3356 4.3356 4.3361 4.3361 4.4197 4.4197 4.5042 4.5042 4.5376 4.5376 4.6004 4.6004 4.9645 4.9645 5.0396 5.0396 5.0572 5.0572 5.0816 5.0816 5.1462 5.1462 5.7745 5.7745 5.8020 5.8020 6.4156 6.4156 8.4891 8.4891 8.6176 8.6176 8.8195 8.8195 9.2386 9.2386 9.3015 9.3015 11.4077 11.4077 11.4112 11.4112 k = 0.5000 0.5000 0.0179 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3599 -6.3599 -6.2264 -6.2264 -6.2035 -6.2035 -6.1070 -6.1070 1.6706 1.6706 1.7865 1.7865 1.8585 1.8585 2.7550 2.7550 2.8452 2.8452 2.8807 2.8807 2.9242 2.9242 2.9342 2.9342 2.9930 2.9930 3.2928 3.2928 3.4784 3.4784 3.5027 3.5027 4.0818 4.0818 4.3352 4.3352 4.3359 4.3359 4.4202 4.4202 4.5039 4.5039 4.5372 4.5372 4.6006 4.6006 4.9637 4.9637 5.0397 5.0397 5.0566 5.0566 5.0827 5.0827 5.1463 5.1463 5.7764 5.7764 5.8037 5.8037 6.4163 6.4163 8.4828 8.4828 8.6259 8.6259 8.8192 8.8192 9.2393 9.2393 9.3024 9.3024 11.4045 11.4045 11.4080 11.4080 k = 0.5000 0.5000 0.0357 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9285 -23.9285 -6.3591 -6.3591 -6.2263 -6.2263 -6.2034 -6.2034 -6.1074 -6.1074 1.6695 1.6695 1.7838 1.7838 1.8553 1.8553 2.7403 2.7403 2.8430 2.8430 2.8815 2.8815 2.9259 2.9259 2.9279 2.9279 3.0170 3.0170 3.2918 3.2918 3.4787 3.4787 3.5027 3.5027 4.0837 4.0837 4.3330 4.3330 4.3364 4.3364 4.4216 4.4216 4.5029 4.5029 4.5360 4.5360 4.6012 4.6012 4.9614 4.9614 5.0395 5.0395 5.0555 5.0555 5.0853 5.0853 5.1465 5.1465 5.7821 5.7821 5.8087 5.8087 6.4181 6.4181 8.4676 8.4676 8.6471 8.6471 8.8183 8.8183 9.2415 9.2415 9.3049 9.3049 11.3951 11.3951 11.3984 11.3984 k = 0.5000 0.5000 0.0536 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0093 -26.0093 -23.9302 -23.9302 -23.9286 -23.9286 -6.3577 -6.3577 -6.2262 -6.2262 -6.2033 -6.2033 -6.1080 -6.1080 1.6677 1.6677 1.7792 1.7792 1.8500 1.8500 2.7173 2.7173 2.8415 2.8415 2.8828 2.8828 2.9250 2.9250 2.9290 2.9290 3.0457 3.0457 3.2901 3.2901 3.4791 3.4791 3.5027 3.5027 4.0869 4.0869 4.3295 4.3295 4.3372 4.3372 4.4238 4.4238 4.5011 4.5011 4.5342 4.5342 4.6021 4.6021 4.9579 4.9579 5.0380 5.0380 5.0556 5.0556 5.0883 5.0883 5.1470 5.1470 5.7916 5.7916 5.8171 5.8171 6.4212 6.4212 8.4487 8.4487 8.6758 8.6758 8.8168 8.8168 9.2452 9.2452 9.3091 9.3091 11.3793 11.3793 11.3824 11.3824 k = 0.5000 0.5000 0.0714 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0094 -26.0094 -23.9302 -23.9302 -23.9286 -23.9286 -6.3558 -6.3558 -6.2259 -6.2259 -6.2031 -6.2031 -6.1088 -6.1088 1.6651 1.6651 1.7729 1.7729 1.8428 1.8428 2.6882 2.6882 2.8414 2.8414 2.8845 2.8845 2.9258 2.9258 2.9332 2.9332 3.0762 3.0762 3.2878 3.2878 3.4796 3.4796 3.5027 3.5027 4.0912 4.0912 4.3250 4.3250 4.3384 4.3384 4.4265 4.4265 4.4985 4.4985 4.5323 4.5323 4.6034 4.6034 4.9534 4.9534 5.0348 5.0348 5.0571 5.0571 5.0909 5.0909 5.1477 5.1477 5.8050 5.8050 5.8292 5.8292 6.4255 6.4255 8.4295 8.4295 8.7084 8.7084 8.8152 8.8152 9.2501 9.2501 9.3148 9.3148 11.3575 11.3575 11.3605 11.3605 k = 0.5000 0.5000 0.0893 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9302 -23.9302 -23.9287 -23.9287 -6.3534 -6.3534 -6.2256 -6.2256 -6.2029 -6.2029 -6.1099 -6.1099 1.6618 1.6618 1.7650 1.7650 1.8337 1.8337 2.6553 2.6553 2.8427 2.8427 2.8866 2.8866 2.9293 2.9293 2.9386 2.9386 3.1072 3.1072 3.2849 3.2849 3.4803 3.4803 3.5026 3.5026 4.0967 4.0967 4.3198 4.3198 4.3399 4.3399 4.4296 4.4296 4.4951 4.4951 4.5305 4.5305 4.6050 4.6050 4.9480 4.9480 5.0303 5.0303 5.0593 5.0593 5.0925 5.0925 5.1486 5.1486 5.8225 5.8225 5.8449 5.8449 6.4309 6.4309 8.4114 8.4114 8.7423 8.7423 8.8145 8.8145 9.2563 9.2563 9.3218 9.3218 11.3296 11.3296 11.3328 11.3328 k = 0.5000 0.5000 0.1071 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9302 -23.9302 -23.9287 -23.9287 -6.3504 -6.3504 -6.2253 -6.2253 -6.2026 -6.2026 -6.1112 -6.1112 1.6577 1.6577 1.7558 1.7558 1.8230 1.8230 2.6203 2.6203 2.8452 2.8452 2.8892 2.8892 2.9347 2.9347 2.9451 2.9451 3.1379 3.1379 3.2814 3.2814 3.4810 3.4810 3.5025 3.5025 4.1032 4.1032 4.3142 4.3142 4.3417 4.3417 4.4330 4.4330 4.4909 4.4909 4.5290 4.5290 4.6070 4.6070 4.9420 4.9420 5.0248 5.0248 5.0611 5.0611 5.0927 5.0927 5.1498 5.1498 5.8441 5.8441 5.8644 5.8644 6.4374 6.4374 8.3952 8.3952 8.7722 8.7722 8.8195 8.8195 9.2634 9.2634 9.3299 9.3299 11.2960 11.2960 11.3000 11.3000 k = 0.5000 0.5000 0.1250 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9302 -23.9302 -23.9288 -23.9288 -6.3470 -6.3470 -6.2248 -6.2248 -6.2023 -6.2023 -6.1127 -6.1127 1.6529 1.6529 1.7453 1.7453 1.8109 1.8109 2.5840 2.5840 2.8486 2.8486 2.8922 2.8922 2.9416 2.9416 2.9526 2.9526 3.1678 3.1678 3.2774 3.2774 3.4818 3.4818 3.5023 3.5023 4.1106 4.1106 4.3084 4.3084 4.3438 4.3438 4.4363 4.4363 4.4860 4.4860 4.5278 4.5278 4.6095 4.6095 4.9355 4.9355 5.0185 5.0185 5.0621 5.0621 5.0913 5.0913 5.1511 5.1511 5.8697 5.8697 5.8878 5.8878 6.4449 6.4449 8.3814 8.3814 8.7854 8.7854 8.8421 8.8421 9.2713 9.2713 9.3389 9.3389 11.2573 11.2573 11.2624 11.2624 k = 0.5000 0.5000 0.1429 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0094 -26.0094 -23.9302 -23.9302 -23.9288 -23.9288 -6.3431 -6.3431 -6.2244 -6.2244 -6.2019 -6.2019 -6.1145 -6.1145 1.6473 1.6473 1.7337 1.7337 1.7975 1.7975 2.5473 2.5473 2.8529 2.8529 2.8957 2.8957 2.9497 2.9497 2.9612 2.9612 3.1964 3.1964 3.2731 3.2731 3.4826 3.4826 3.5021 3.5021 4.1188 4.1188 4.3028 4.3028 4.3460 4.3460 4.4397 4.4397 4.4807 4.4807 4.5271 4.5271 4.6124 4.6124 4.9287 4.9287 5.0112 5.0112 5.0620 5.0620 5.0882 5.0882 5.1521 5.1521 5.8992 5.8992 5.9151 5.9151 6.4533 6.4533 8.3704 8.3704 8.7852 8.7852 8.8787 8.8787 9.2797 9.2797 9.3485 9.3485 11.2141 11.2141 11.2206 11.2206 k = 0.5000 0.5000 0.1607 ( 6808 PWs) bands (ev): -48.3761 -48.3761 -26.0095 -26.0095 -23.9302 -23.9302 -23.9289 -23.9289 -6.3387 -6.3387 -6.2239 -6.2239 -6.2015 -6.2015 -6.1166 -6.1166 1.6410 1.6410 1.7214 1.7214 1.7832 1.7832 2.5106 2.5106 2.8580 2.8580 2.8997 2.8997 2.9588 2.9588 2.9706 2.9706 3.2230 3.2230 3.2690 3.2690 3.4833 3.4833 3.5017 3.5017 4.1275 4.1275 4.2974 4.2974 4.3485 4.3485 4.4430 4.4430 4.4752 4.4752 4.5265 4.5265 4.6159 4.6159 4.9215 4.9215 5.0029 5.0029 5.0605 5.0605 5.0832 5.0832 5.1526 5.1526 5.9324 5.9324 5.9462 5.9462 6.4625 6.4625 8.3624 8.3624 8.7811 8.7811 8.9196 8.9196 9.2883 9.2883 9.3582 9.3582 11.1672 11.1672 11.1752 11.1752 k = 0.5000 0.5000 0.1786 ( 6800 PWs) bands (ev): -48.3761 -48.3761 -26.0095 -26.0095 -23.9302 -23.9302 -23.9290 -23.9290 -6.3339 -6.3339 -6.2233 -6.2233 -6.2011 -6.2011 -6.1189 -6.1189 1.6340 1.6340 1.7084 1.7084 1.7680 1.7680 2.4743 2.4743 2.8639 2.8639 2.9043 2.9043 2.9688 2.9688 2.9808 2.9808 3.2442 3.2442 3.2685 3.2685 3.4840 3.4840 3.5012 3.5012 4.1366 4.1366 4.2928 4.2928 4.3511 4.3511 4.4462 4.4462 4.4699 4.4699 4.5262 4.5262 4.6201 4.6201 4.9142 4.9142 4.9937 4.9937 5.0578 5.0578 5.0764 5.0764 5.1525 5.1525 5.9690 5.9690 5.9811 5.9811 6.4723 6.4723 8.3577 8.3577 8.7754 8.7754 8.9619 8.9619 9.2968 9.2968 9.3677 9.3677 11.1174 11.1174 11.1272 11.1272 k = 0.5000 0.5000 0.1964 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0095 -26.0095 -23.9302 -23.9302 -23.9291 -23.9291 -6.3288 -6.3288 -6.2228 -6.2228 -6.2006 -6.2006 -6.1214 -6.1214 1.6263 1.6263 1.6952 1.6952 1.7524 1.7524 2.4387 2.4387 2.8706 2.8706 2.9094 2.9094 2.9794 2.9794 2.9916 2.9916 3.2488 3.2488 3.2825 3.2825 3.4846 3.4846 3.5006 3.5006 4.1458 4.1458 4.2890 4.2890 4.3538 4.3538 4.4492 4.4492 4.4648 4.4648 4.5261 4.5261 4.6248 4.6248 4.9067 4.9067 4.9835 4.9835 5.0540 5.0540 5.0679 5.0679 5.1513 5.1513 6.0083 6.0083 6.0195 6.0195 6.4828 6.4828 8.3563 8.3563 8.7688 8.7688 9.0046 9.0046 9.3049 9.3049 9.3766 9.3766 11.0657 11.0657 11.0773 11.0773 k = 0.5000 0.5000 0.2143 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9302 -23.9302 -23.9292 -23.9292 -6.3232 -6.3232 -6.2221 -6.2221 -6.2001 -6.2001 -6.1243 -6.1243 1.6179 1.6179 1.6818 1.6818 1.7364 1.7364 2.4040 2.4040 2.8780 2.8780 2.9149 2.9149 2.9907 2.9907 3.0029 3.0029 3.2442 3.2442 3.3038 3.3038 3.4850 3.4850 3.4998 3.4998 4.1547 4.1547 4.2864 4.2864 4.3566 4.3566 4.4516 4.4516 4.4606 4.4606 4.5261 4.5261 4.6303 4.6303 4.8990 4.8990 4.9725 4.9725 5.0489 5.0489 5.0579 5.0579 5.1488 5.1488 6.0499 6.0499 6.0613 6.0613 6.4937 6.4937 8.3586 8.3586 8.7618 8.7618 9.0469 9.0469 9.3122 9.3122 9.3845 9.3845 11.0131 11.0131 11.0265 11.0265 k = 0.5000 0.5000 0.2321 ( 6800 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9302 -23.9302 -23.9293 -23.9293 -6.3173 -6.3173 -6.2215 -6.2215 -6.1996 -6.1996 -6.1274 -6.1274 1.6089 1.6089 1.6686 1.6686 1.7202 1.7202 2.3705 2.3705 2.8861 2.8861 2.9209 2.9209 3.0024 3.0024 3.0146 3.0146 3.2377 3.2377 3.3250 3.3250 3.4851 3.4851 3.4988 3.4988 4.1630 4.1630 4.2854 4.2854 4.3593 4.3593 4.4513 4.4513 4.4593 4.4593 4.5260 4.5260 4.6363 4.6363 4.8912 4.8912 4.9608 4.9608 5.0423 5.0423 5.0471 5.0471 5.1448 5.1448 6.0933 6.0933 6.1060 6.1060 6.5049 6.5049 8.3644 8.3644 8.7543 8.7543 9.0880 9.0880 9.3185 9.3185 9.3910 9.3910 10.9606 10.9606 10.9757 10.9757 k = 0.5000 0.5000 0.2500 ( 6784 PWs) bands (ev): -48.3760 -48.3760 -26.0096 -26.0096 -23.9302 -23.9302 -23.9294 -23.9294 -6.3111 -6.3111 -6.2209 -6.2209 -6.1991 -6.1991 -6.1308 -6.1308 1.5993 1.5993 1.6558 1.6558 1.7042 1.7042 2.3383 2.3383 2.8949 2.8949 2.9274 2.9274 3.0144 3.0144 3.0266 3.0266 3.2304 3.2304 3.3449 3.3449 3.4851 3.4851 3.4977 3.4977 4.1703 4.1703 4.2864 4.2864 4.3621 4.3621 4.4482 4.4482 4.4614 4.4614 4.5260 4.5260 4.6431 4.6431 4.8833 4.8833 4.9487 4.9487 5.0316 5.0316 5.0386 5.0386 5.1392 5.1392 6.1380 6.1380 6.1528 6.1528 6.5163 6.5163 8.3739 8.3739 8.7466 8.7466 9.1271 9.1271 9.3236 9.3236 9.3956 9.3956 10.9091 10.9091 10.9258 10.9258 k = 0.5000 0.5000 0.2679 ( 6816 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9302 -23.9302 -23.9295 -23.9295 -6.3046 -6.3046 -6.2203 -6.2203 -6.1986 -6.1986 -6.1344 -6.1344 1.5892 1.5892 1.6435 1.6435 1.6885 1.6885 2.3076 2.3076 2.9042 2.9042 2.9342 2.9342 3.0265 3.0265 3.0386 3.0386 3.2226 3.2226 3.3633 3.3633 3.4848 3.4848 3.4963 3.4963 4.1762 4.1762 4.2894 4.2894 4.3647 4.3647 4.4445 4.4445 4.4643 4.4643 4.5258 4.5258 4.6504 4.6504 4.8752 4.8752 4.9364 4.9364 5.0180 5.0180 5.0314 5.0314 5.1318 5.1318 6.1837 6.1837 6.2012 6.2012 6.5278 6.5278 8.3869 8.3869 8.7388 8.7388 9.1632 9.1632 9.3272 9.3272 9.3979 9.3979 10.8595 10.8595 10.8777 10.8777 k = 0.5000 0.5000 0.2857 ( 6812 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9302 -23.9302 -23.9296 -23.9296 -6.2979 -6.2979 -6.2197 -6.2197 -6.1982 -6.1982 -6.1383 -6.1383 1.5788 1.5788 1.6320 1.6320 1.6732 1.6732 2.2786 2.2786 2.9139 2.9139 2.9414 2.9414 3.0386 3.0386 3.0506 3.0506 3.2145 3.2145 3.3803 3.3803 3.4843 3.4843 3.4948 3.4948 4.1806 4.1806 4.2948 4.2948 4.3673 4.3673 4.4411 4.4411 4.4677 4.4677 4.5255 4.5255 4.6584 4.6584 4.8670 4.8670 4.9242 4.9242 5.0034 5.0034 5.0243 5.0243 5.1226 5.1226 6.2299 6.2299 6.2503 6.2503 6.5392 6.5392 8.4034 8.4034 8.7311 8.7311 9.1951 9.1951 9.3295 9.3295 9.3978 9.3978 10.8127 10.8127 10.8322 10.8322 k = 0.5000 0.5000 0.3036 ( 6804 PWs) bands (ev): -48.3761 -48.3761 -26.0097 -26.0097 -23.9302 -23.9302 -23.9297 -23.9297 -6.2910 -6.2910 -6.2190 -6.2190 -6.1977 -6.1977 -6.1425 -6.1425 1.5683 1.5683 1.6212 1.6212 1.6585 1.6585 2.2514 2.2514 2.9239 2.9239 2.9489 2.9489 3.0507 3.0507 3.0624 3.0624 3.2062 3.2062 3.3956 3.3956 3.4835 3.4835 3.4932 3.4932 4.1836 4.1836 4.3024 4.3024 4.3697 4.3697 4.4381 4.4381 4.4713 4.4713 4.5249 4.5249 4.6670 4.6670 4.8587 4.8587 4.9123 4.9123 4.9885 4.9885 5.0171 5.0171 5.1117 5.1117 6.2759 6.2759 6.2995 6.2995 6.5505 6.5505 8.4232 8.4232 8.7234 8.7234 9.2215 9.2215 9.3308 9.3308 9.3949 9.3949 10.7693 10.7693 10.7898 10.7898 k = 0.5000 0.5000 0.3214 ( 6808 PWs) bands (ev): -48.3761 -48.3761 -26.0098 -26.0098 -23.9302 -23.9302 -23.9298 -23.9298 -6.2839 -6.2839 -6.2185 -6.2185 -6.1972 -6.1972 -6.1469 -6.1469 1.5578 1.5578 1.6113 1.6113 1.6445 1.6445 2.2261 2.2261 2.9340 2.9340 2.9565 2.9565 3.0624 3.0624 3.0739 3.0739 3.1977 3.1977 3.4094 3.4094 3.4825 3.4825 3.4914 3.4914 4.1854 4.1854 4.3117 4.3117 4.3720 4.3720 4.4354 4.4354 4.4749 4.4749 4.5241 4.5241 4.6760 4.6760 4.8504 4.8504 4.9010 4.9010 4.9736 4.9736 5.0099 5.0099 5.0992 5.0992 6.3212 6.3212 6.3480 6.3480 6.5615 6.5615 8.4460 8.4460 8.7160 8.7160 9.2408 9.2408 9.3317 9.3317 9.3894 9.3894 10.7297 10.7297 10.7512 10.7512 k = 0.5000 0.5000 0.3393 ( 6808 PWs) bands (ev): -48.3761 -48.3761 -26.0098 -26.0098 -23.9302 -23.9302 -23.9298 -23.9298 -6.2768 -6.2768 -6.2179 -6.2179 -6.1968 -6.1968 -6.1516 -6.1516 1.5476 1.5476 1.6023 1.6023 1.6315 1.6315 2.2029 2.2029 2.9441 2.9441 2.9642 2.9642 3.0737 3.0737 3.0850 3.0850 3.1892 3.1892 3.4217 3.4217 3.4814 3.4814 3.4895 3.4895 4.1862 4.1862 4.3223 4.3223 4.3741 4.3741 4.4331 4.4331 4.4785 4.4785 4.5229 4.5229 4.6856 4.6856 4.8420 4.8420 4.8903 4.8903 4.9591 4.9591 5.0028 5.0028 5.0853 5.0853 6.3650 6.3650 6.3951 6.3951 6.5721 6.5721 8.4713 8.4713 8.7089 8.7089 9.2519 9.2519 9.3329 9.3329 9.3813 9.3813 10.6943 10.6943 10.7167 10.7167 k = 0.5000 0.5000 0.3571 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9302 -23.9302 -23.9299 -23.9299 -6.2695 -6.2695 -6.2173 -6.2173 -6.1964 -6.1964 -6.1566 -6.1566 1.5379 1.5379 1.5942 1.5942 1.6194 1.6194 2.1818 2.1818 2.9541 2.9541 2.9719 2.9719 3.0843 3.0843 3.0954 3.0954 3.1808 3.1808 3.4324 3.4324 3.4801 3.4801 3.4877 3.4877 4.1864 4.1864 4.3339 4.3339 4.3760 4.3760 4.4312 4.4312 4.4822 4.4822 4.5214 4.5214 4.6955 4.6955 4.8339 4.8339 4.8802 4.8802 4.9456 4.9456 4.9961 4.9961 5.0703 5.0703 6.4066 6.4066 6.4401 6.4401 6.5823 6.5823 8.4988 8.4988 8.7023 8.7023 9.2549 9.2549 9.3339 9.3339 9.3711 9.3711 10.6633 10.6633 10.6865 10.6865 k = 0.5000 0.5000 0.3750 ( 6796 PWs) bands (ev): -48.3760 -48.3760 -26.0098 -26.0098 -23.9302 -23.9302 -23.9300 -23.9300 -6.2622 -6.2622 -6.2168 -6.2168 -6.1960 -6.1960 -6.1617 -6.1617 1.5289 1.5289 1.5871 1.5871 1.6084 1.6084 2.1630 2.1630 2.9636 2.9636 2.9794 2.9794 3.0942 3.0942 3.1051 3.1051 3.1726 3.1726 3.4417 3.4417 3.4787 3.4787 3.4858 3.4858 4.1862 4.1862 4.3458 4.3458 4.3776 4.3776 4.4295 4.4295 4.4857 4.4857 4.5194 4.5194 4.7057 4.7057 4.8261 4.8261 4.8706 4.8706 4.9335 4.9335 4.9898 4.9898 5.0544 5.0544 6.4452 6.4452 6.4822 6.4822 6.5920 6.5920 8.5276 8.5276 8.6962 8.6962 9.2516 9.2516 9.3332 9.3332 9.3594 9.3594 10.6370 10.6370 10.6605 10.6605 k = 0.5000 0.5000 0.3929 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9300 -23.9300 -6.2550 -6.2550 -6.2164 -6.2164 -6.1957 -6.1957 -6.1671 -6.1671 1.5208 1.5208 1.5809 1.5809 1.5986 1.5986 2.1465 2.1465 2.9727 2.9727 2.9864 2.9864 3.1031 3.1031 3.1137 3.1137 3.1649 3.1649 3.4495 3.4495 3.4773 3.4773 3.4840 3.4840 4.1859 4.1859 4.3579 4.3579 4.3790 4.3790 4.4280 4.4280 4.4891 4.4891 4.5170 4.5170 4.7161 4.7161 4.8191 4.8191 4.8612 4.8612 4.9235 4.9235 4.9840 4.9840 5.0381 5.0381 6.4799 6.4799 6.5206 6.5206 6.6012 6.6012 8.5569 8.5569 8.6907 8.6907 9.2443 9.2443 9.3297 9.3297 9.3470 9.3470 10.6160 10.6160 10.6383 10.6383 k = 0.5000 0.5000 0.4107 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9301 -23.9301 -6.2479 -6.2479 -6.2159 -6.2159 -6.1954 -6.1954 -6.1726 -6.1726 1.5137 1.5137 1.5757 1.5757 1.5901 1.5901 2.1325 2.1325 2.9811 2.9811 2.9928 2.9928 3.1109 3.1109 3.1211 3.1211 3.1579 3.1579 3.4557 3.4557 3.4762 3.4762 3.4824 3.4824 4.1854 4.1854 4.3696 4.3696 4.3803 4.3803 4.4266 4.4266 4.4922 4.4922 4.5142 4.5142 4.7265 4.7265 4.8129 4.8129 4.8518 4.8518 4.9159 4.9159 4.9788 4.9788 5.0218 5.0218 6.5099 6.5099 6.5547 6.5547 6.6100 6.6100 8.5857 8.5857 8.6859 8.6859 9.2348 9.2348 9.3230 9.3230 9.3347 9.3347 10.6003 10.6003 10.6198 10.6198 k = 0.5000 0.5000 0.4286 ( 6788 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2411 -6.2411 -6.2155 -6.2155 -6.1952 -6.1952 -6.1782 -6.1782 1.5077 1.5077 1.5716 1.5716 1.5828 1.5828 2.1209 2.1209 2.9887 2.9887 2.9982 2.9982 3.1174 3.1174 3.1268 3.1268 3.1522 3.1522 3.4603 3.4603 3.4755 3.4755 3.4809 3.4809 4.1850 4.1850 4.3797 4.3797 4.3823 4.3823 4.4251 4.4251 4.4949 4.4949 4.5113 4.5113 4.7366 4.7366 4.8080 4.8080 4.8422 4.8422 4.9111 4.9111 4.9744 4.9744 5.0061 5.0061 6.5345 6.5345 6.5837 6.5837 6.6183 6.6183 8.6127 8.6127 8.6819 8.6819 9.2246 9.2246 9.3143 9.3143 9.3229 9.3229 10.5898 10.5898 10.6058 10.6058 k = 0.5000 0.5000 0.4464 ( 6792 PWs) bands (ev): -48.3760 -48.3760 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2347 -6.2347 -6.2150 -6.2150 -6.1950 -6.1950 -6.1837 -6.1837 1.5030 1.5030 1.5687 1.5687 1.5768 1.5768 2.1118 2.1118 2.9953 2.9953 3.0026 3.0026 3.1226 3.1226 3.1301 3.1301 3.1486 3.1486 3.4632 3.4632 3.4755 3.4755 3.4797 3.4797 4.1845 4.1845 4.3817 4.3817 4.3912 4.3912 4.4233 4.4233 4.4972 4.4972 4.5083 4.5083 4.7459 4.7459 4.8047 4.8047 4.8326 4.8326 4.9090 4.9090 4.9709 4.9709 4.9917 4.9917 6.5533 6.5533 6.6069 6.6069 6.6260 6.6260 8.6363 8.6363 8.6787 8.6787 9.2149 9.2149 9.3056 9.3056 9.3121 9.3121 10.5833 10.5833 10.5956 10.5956 k = 0.5000 0.5000 0.4643 ( 6784 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2291 -6.2291 -6.2144 -6.2144 -6.1948 -6.1948 -6.1889 -6.1889 1.4996 1.4996 1.5669 1.5669 1.5722 1.5722 2.1053 2.1053 3.0005 3.0005 3.0055 3.0055 3.1264 3.1264 3.1307 3.1307 3.1476 3.1476 3.4647 3.4647 3.4762 3.4762 3.4788 3.4788 4.1842 4.1842 4.3823 4.3823 4.4001 4.4001 4.4210 4.4210 4.4991 4.4991 4.5056 4.5056 4.7538 4.7538 4.8033 4.8033 4.8234 4.8234 4.9089 4.9089 4.9684 4.9684 4.9797 4.9797 6.5660 6.5660 6.6240 6.6240 6.6325 6.6325 8.6550 8.6550 8.6763 8.6763 9.2070 9.2070 9.2985 9.2985 9.3029 9.3029 10.5801 10.5801 10.5884 10.5884 k = 0.5000 0.5000 0.4821 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2252 -6.2252 -6.2136 -6.2136 -6.1948 -6.1948 -6.1930 -6.1930 1.4975 1.4975 1.5663 1.5663 1.5689 1.5689 2.1014 2.1014 3.0043 3.0043 3.0068 3.0068 3.1288 3.1288 3.1300 3.1300 3.1479 3.1479 3.4652 3.4652 3.4770 3.4770 3.4781 3.4781 4.1841 4.1841 4.3827 4.3827 4.4075 4.4075 4.4178 4.4178 4.5006 4.5006 4.5035 4.5035 4.7593 4.7593 4.8045 4.8045 4.8151 4.8151 4.9098 4.9098 4.9670 4.9670 4.9713 4.9713 6.5733 6.5733 6.6345 6.6345 6.6370 6.6370 8.6673 8.6673 8.6746 8.6746 9.2016 9.2016 9.2943 9.2943 9.2965 9.2965 10.5792 10.5792 10.5833 10.5833 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -48.3759 -48.3759 -26.0099 -26.0099 -23.9302 -23.9302 -23.9302 -23.9302 -6.2238 -6.2238 -6.2132 -6.2132 -6.1947 -6.1947 -6.1947 -6.1947 1.4968 1.4968 1.5670 1.5670 1.5670 1.5670 2.1001 2.1001 3.0065 3.0065 3.0065 3.0065 3.1295 3.1295 3.1295 3.1295 3.1482 3.1482 3.4653 3.4653 3.4776 3.4776 3.4776 3.4776 4.1840 4.1840 4.3828 4.3828 4.4134 4.4134 4.4134 4.4134 4.5019 4.5019 4.5019 4.5019 4.7613 4.7613 4.8085 4.8085 4.8085 4.8085 4.9104 4.9104 4.9674 4.9674 4.9674 4.9674 6.5757 6.5757 6.6383 6.6383 6.6383 6.6383 8.6728 8.6728 8.6728 8.6728 9.1998 9.1998 9.2935 9.2935 9.2935 9.2935 10.5803 10.5803 10.5803 10.5803 Writing output data file NbCu3Se4.save init_run : 3.16s CPU 12.87s WALL ( 1 calls) electrons : 1189.15s CPU 1201.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1189.11s CPU 1200.81s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.60s WALL ( 1 calls) newd : 0.65s CPU 0.84s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 219 calls) cegterg : 1134.32s CPU 1143.39s WALL ( 596 calls) Called by sum_band: Called by *egterg: h_psi : 337.75s CPU 344.65s WALL ( 10397 calls) s_psi : 43.02s CPU 43.55s WALL ( 10397 calls) g_psi : 1.15s CPU 1.12s WALL ( 9582 calls) cdiaghg : 567.79s CPU 566.52s WALL ( 9801 calls) cegterg:over : 106.15s CPU 103.85s WALL ( 9582 calls) cegterg:upda : 33.47s CPU 35.79s WALL ( 9582 calls) cegterg:last : 23.73s CPU 24.12s WALL ( 1308 calls) Called by h_psi: h_psi:vloc : 248.09s CPU 253.03s WALL ( 10397 calls) h_psi:vnl : 88.88s CPU 90.08s WALL ( 10397 calls) add_vuspsi : 32.84s CPU 36.28s WALL ( 10397 calls) General routines calbec : 55.99s CPU 53.67s WALL ( 10397 calls) fft : 0.21s CPU 1.05s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 235.08s CPU 237.82s WALL ( 1320116 calls) interpolate : 0.02s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 2.20s WALL ( 438 calls) Parallel routines fft_scatter : 163.01s CPU 164.90s WALL ( 1320139 calls) PWSCF : 21m 2.10s CPU 23m14.60s WALL This run was terminated on: 3:52:41 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=