Program PWSCF v.5.1.1 starts on 31Oct2015 at 10:44: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VCu3Se4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 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 118 35 10 6704 1079 170 Max 119 36 11 6708 1100 175 Sum 5689 1685 489 321877 52179 8217 bravais-lattice index = 14 lattice parameter (alat) = 10.5137 a.u. unit-cell volume = 1162.1554 (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 = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.513680 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 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. # 2 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 PseudoPot. # 3 for V read from file: /home/autes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 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 Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) V 13.00 50.94150 V( 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= 222 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0045045 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0045045 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0045045 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0045045 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0045045 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0045045 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0045045 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0045045 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0045045 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0045045 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0045045 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0045045 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0045045 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0045045 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0045045 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0045045 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0045045 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0045045 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0045045 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0045045 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0045045 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0045045 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0045045 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0045045 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0045045 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0045045 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0045045 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0045045 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0045045 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0045045 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0045045 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0045045 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0045045 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0045045 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0045045 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 62) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045045 k( 63) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045045 k( 64) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045045 k( 65) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045045 k( 66) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045045 k( 67) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045045 k( 68) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045045 k( 69) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045045 k( 70) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045045 k( 71) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045045 k( 72) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045045 k( 73) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045045 k( 74) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045045 k( 75) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045045 k( 76) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045045 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045045 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045045 k( 79) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045045 k( 80) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045045 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045045 k( 82) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045045 k( 83) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045045 k( 84) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045045 k( 85) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045045 k( 86) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045045 k( 87) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045045 k( 88) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045045 k( 89) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045045 k( 90) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045045 k( 91) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045045 k( 92) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045045 k( 93) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045045 k( 94) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045045 k( 95) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045045 k( 96) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045045 k( 97) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045045 k( 98) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045045 k( 99) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045045 k( 100) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 103) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045045 k( 104) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045045 k( 105) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045045 k( 106) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045045 k( 107) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045045 k( 108) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045045 k( 109) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045045 k( 110) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045045 k( 111) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045045 k( 112) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045045 k( 113) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045045 k( 114) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045045 k( 115) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045045 k( 116) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045045 k( 117) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045045 k( 118) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045045 k( 119) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045045 k( 120) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045045 k( 121) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045045 k( 122) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045045 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045045 k( 124) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045045 k( 125) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045045 k( 126) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045045 k( 127) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045045 k( 128) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045045 k( 129) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045045 k( 130) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045045 k( 131) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045045 k( 132) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045045 k( 133) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045045 k( 134) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045045 k( 135) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045045 k( 136) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045045 k( 137) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045045 k( 138) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045045 k( 139) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045045 k( 140) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045045 k( 141) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045045 k( 142) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045045 k( 143) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045045 k( 144) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045045 k( 145) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045045 k( 146) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045045 k( 147) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045045 k( 148) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045045 k( 149) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045045 k( 150) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045045 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 153) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045045 k( 154) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045045 k( 155) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045045 k( 156) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045045 k( 157) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045045 k( 158) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045045 k( 159) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045045 k( 160) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045045 k( 161) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045045 k( 162) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045045 k( 163) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045045 k( 164) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045045 k( 165) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045045 k( 166) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045045 k( 167) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045045 k( 168) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045045 k( 169) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045045 k( 170) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045045 k( 171) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045045 k( 172) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045045 k( 173) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045045 k( 174) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045045 k( 175) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045045 k( 176) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045045 k( 177) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045045 k( 178) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045045 k( 179) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045045 k( 180) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045045 k( 181) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045045 k( 182) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045045 k( 183) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045045 k( 184) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045045 k( 185) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045045 k( 186) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045045 k( 187) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045045 k( 188) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045045 k( 189) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045045 k( 190) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045045 k( 191) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 193) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 194) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0045045 k( 195) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0045045 k( 196) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0045045 k( 197) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0045045 k( 198) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0045045 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0045045 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0045045 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0045045 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0045045 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0045045 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0045045 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0045045 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0045045 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0045045 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0045045 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0045045 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0045045 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0045045 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0045045 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0045045 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0045045 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0045045 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0045045 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0045045 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0045045 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0045045 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0045045 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0045045 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0045045 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0045045 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0045045 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0045045 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0045045 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0045045 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0045045 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0045045 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0045045 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0045045 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0045045 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 62) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045045 k( 63) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045045 k( 64) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045045 k( 65) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045045 k( 66) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045045 k( 67) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045045 k( 68) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045045 k( 69) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045045 k( 70) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045045 k( 71) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045045 k( 72) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045045 k( 73) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045045 k( 74) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045045 k( 75) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045045 k( 76) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045045 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045045 k( 78) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045045 k( 79) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045045 k( 80) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045045 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045045 k( 82) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045045 k( 83) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045045 k( 84) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045045 k( 85) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045045 k( 86) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045045 k( 87) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045045 k( 88) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045045 k( 89) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045045 k( 90) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045045 k( 91) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045045 k( 92) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045045 k( 93) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045045 k( 94) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045045 k( 95) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045045 k( 96) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045045 k( 97) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045045 k( 98) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045045 k( 99) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045045 k( 100) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 103) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045045 k( 104) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045045 k( 105) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045045 k( 106) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045045 k( 107) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045045 k( 108) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045045 k( 109) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045045 k( 110) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045045 k( 111) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045045 k( 112) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045045 k( 113) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045045 k( 114) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045045 k( 115) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045045 k( 116) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045045 k( 117) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045045 k( 118) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045045 k( 119) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045045 k( 120) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045045 k( 121) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045045 k( 122) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045045 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045045 k( 124) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045045 k( 125) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045045 k( 126) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045045 k( 127) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045045 k( 128) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045045 k( 129) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045045 k( 130) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045045 k( 131) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045045 k( 132) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045045 k( 133) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045045 k( 134) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045045 k( 135) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045045 k( 136) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045045 k( 137) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045045 k( 138) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045045 k( 139) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045045 k( 140) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045045 k( 141) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045045 k( 142) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045045 k( 143) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045045 k( 144) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045045 k( 145) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045045 k( 146) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045045 k( 147) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045045 k( 148) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045045 k( 149) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045045 k( 150) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045045 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 153) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045045 k( 154) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045045 k( 155) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045045 k( 156) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045045 k( 157) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045045 k( 158) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045045 k( 159) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045045 k( 160) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045045 k( 161) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045045 k( 162) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045045 k( 163) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045045 k( 164) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045045 k( 165) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045045 k( 166) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045045 k( 167) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045045 k( 168) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045045 k( 169) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045045 k( 170) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045045 k( 171) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045045 k( 172) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045045 k( 173) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045045 k( 174) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045045 k( 175) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045045 k( 176) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045045 k( 177) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045045 k( 178) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045045 k( 179) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045045 k( 180) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045045 k( 181) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045045 k( 182) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045045 k( 183) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045045 k( 184) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045045 k( 185) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045045 k( 186) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045045 k( 187) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045045 k( 188) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045045 k( 189) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045045 k( 190) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045045 k( 191) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 193) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 194) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0045045 k( 195) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0045045 k( 196) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0045045 k( 197) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0045045 k( 198) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 Dense grid: 321877 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 52179 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 282, 84) NL pseudopotentials 0.35 Mb ( 141, 164) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6707) G-vector shells 0.01 Mb ( 1213) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.45 Mb ( 282, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.42 Mb ( 164, 2, 84) The potential is recalculated from file : ./VCu3Se4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.3 secs Computing kpt #: 5 total cpu time spent up to now is 93.5 secs Computing kpt #: 6 total cpu time spent up to now is 103.6 secs Computing kpt #: 7 total cpu time spent up to now is 110.3 secs Computing kpt #: 8 total cpu time spent up to now is 116.5 secs Computing kpt #: 9 total cpu time spent up to now is 125.2 secs Computing kpt #: 10 total cpu time spent up to now is 130.3 secs Computing kpt #: 11 total cpu time spent up to now is 136.0 secs Computing kpt #: 12 total cpu time spent up to now is 141.0 secs Computing kpt #: 13 total cpu time spent up to now is 148.8 secs Computing kpt #: 14 total cpu time spent up to now is 153.7 secs Computing kpt #: 15 total cpu time spent up to now is 158.5 secs Computing kpt #: 16 total cpu time spent up to now is 163.2 secs Computing kpt #: 17 total cpu time spent up to now is 171.1 secs Computing kpt #: 18 total cpu time spent up to now is 176.0 secs Computing kpt #: 19 total cpu time spent up to now is 180.9 secs Computing kpt #: 20 total cpu time spent up to now is 185.8 secs Computing kpt #: 21 total cpu time spent up to now is 190.9 secs Computing kpt #: 22 total cpu time spent up to now is 198.4 secs Computing kpt #: 23 total cpu time spent up to now is 203.5 secs Computing kpt #: 24 total cpu time spent up to now is 208.3 secs Computing kpt #: 25 total cpu time spent up to now is 214.4 secs Computing kpt #: 26 total cpu time spent up to now is 219.7 secs Computing kpt #: 27 total cpu time spent up to now is 224.4 secs Computing kpt #: 28 total cpu time spent up to now is 231.6 secs Computing kpt #: 29 total cpu time spent up to now is 236.3 secs Computing kpt #: 30 total cpu time spent up to now is 241.0 secs Computing kpt #: 31 total cpu time spent up to now is 245.7 secs Computing kpt #: 32 total cpu time spent up to now is 253.6 secs Computing kpt #: 33 total cpu time spent up to now is 258.6 secs Computing kpt #: 34 total cpu time spent up to now is 263.6 secs Computing kpt #: 35 total cpu time spent up to now is 268.6 secs Computing kpt #: 36 total cpu time spent up to now is 276.3 secs Computing kpt #: 37 total cpu time spent up to now is 281.5 secs Computing kpt #: 38 total cpu time spent up to now is 287.1 secs Computing kpt #: 39 total cpu time spent up to now is 297.2 secs Computing kpt #: 40 total cpu time spent up to now is 303.0 secs Computing kpt #: 41 total cpu time spent up to now is 308.9 secs Computing kpt #: 42 total cpu time spent up to now is 315.0 secs Computing kpt #: 43 total cpu time spent up to now is 324.1 secs Computing kpt #: 44 total cpu time spent up to now is 330.8 secs Computing kpt #: 45 total cpu time spent up to now is 338.8 secs Computing kpt #: 46 total cpu time spent up to now is 349.9 secs Computing kpt #: 47 total cpu time spent up to now is 361.6 secs Computing kpt #: 48 total cpu time spent up to now is 369.9 secs Computing kpt #: 49 total cpu time spent up to now is 376.5 secs Computing kpt #: 50 total cpu time spent up to now is 384.9 secs Computing kpt #: 51 total cpu time spent up to now is 391.2 secs Computing kpt #: 52 total cpu time spent up to now is 397.0 secs Computing kpt #: 53 total cpu time spent up to now is 402.4 secs Computing kpt #: 54 total cpu time spent up to now is 410.3 secs Computing kpt #: 55 total cpu time spent up to now is 415.4 secs Computing kpt #: 56 total cpu time spent up to now is 420.6 secs Computing kpt #: 57 total cpu time spent up to now is 428.1 secs Computing kpt #: 58 total cpu time spent up to now is 433.1 secs Computing kpt #: 59 total cpu time spent up to now is 438.0 secs Computing kpt #: 60 total cpu time spent up to now is 442.5 secs Computing kpt #: 61 total cpu time spent up to now is 449.5 secs Computing kpt #: 62 total cpu time spent up to now is 454.4 secs Computing kpt #: 63 total cpu time spent up to now is 459.3 secs Computing kpt #: 64 total cpu time spent up to now is 465.1 secs Computing kpt #: 65 total cpu time spent up to now is 470.8 secs Computing kpt #: 66 total cpu time spent up to now is 476.7 secs Computing kpt #: 67 total cpu time spent up to now is 482.8 secs Computing kpt #: 68 total cpu time spent up to now is 489.5 secs Computing kpt #: 69 total cpu time spent up to now is 495.7 secs Computing kpt #: 70 total cpu time spent up to now is 503.9 secs Computing kpt #: 71 total cpu time spent up to now is 513.8 secs Computing kpt #: 72 total cpu time spent up to now is 522.7 secs Computing kpt #: 73 total cpu time spent up to now is 530.5 secs Computing kpt #: 74 total cpu time spent up to now is 537.9 secs Computing kpt #: 75 total cpu time spent up to now is 545.2 secs Computing kpt #: 76 total cpu time spent up to now is 552.1 secs Computing kpt #: 77 total cpu time spent up to now is 559.2 secs Computing kpt #: 78 total cpu time spent up to now is 565.3 secs Computing kpt #: 79 total cpu time spent up to now is 571.5 secs Computing kpt #: 80 total cpu time spent up to now is 577.6 secs Computing kpt #: 81 total cpu time spent up to now is 583.8 secs Computing kpt #: 82 total cpu time spent up to now is 591.9 secs Computing kpt #: 83 total cpu time spent up to now is 598.8 secs Computing kpt #: 84 total cpu time spent up to now is 605.8 secs Computing kpt #: 85 total cpu time spent up to now is 613.7 secs Computing kpt #: 86 total cpu time spent up to now is 621.7 secs Computing kpt #: 87 total cpu time spent up to now is 630.3 secs Computing kpt #: 88 total cpu time spent up to now is 640.0 secs Computing kpt #: 89 total cpu time spent up to now is 649.9 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 660.6 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.2 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.4 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 703.0 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 724.1 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 734.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 745.3 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 755.8 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 766.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 775.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.8 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 816.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.2 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 867.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 877.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 888.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 898.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 908.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 919.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 929.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 939.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 950.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 960.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 970.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 980.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 991.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1001.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.8 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.3 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.7 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1052.9 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1063.1 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.3 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.5 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1103.7 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1113.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1123.8 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1143.7 secs Computing kpt #: 138 total cpu time spent up to now is 1152.2 secs Computing kpt #: 139 total cpu time spent up to now is 1161.4 secs Computing kpt #: 140 total cpu time spent up to now is 1169.7 secs Computing kpt #: 141 total cpu time spent up to now is 1178.3 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1188.4 secs Computing kpt #: 143 total cpu time spent up to now is 1195.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1205.9 secs Computing kpt #: 145 total cpu time spent up to now is 1212.2 secs Computing kpt #: 146 total cpu time spent up to now is 1220.9 secs Computing kpt #: 147 total cpu time spent up to now is 1229.2 secs Computing kpt #: 148 total cpu time spent up to now is 1235.6 secs Computing kpt #: 149 total cpu time spent up to now is 1241.2 secs Computing kpt #: 150 total cpu time spent up to now is 1246.7 secs Computing kpt #: 151 total cpu time spent up to now is 1252.4 secs Computing kpt #: 152 total cpu time spent up to now is 1258.0 secs Computing kpt #: 153 total cpu time spent up to now is 1263.8 secs Computing kpt #: 154 total cpu time spent up to now is 1270.0 secs Computing kpt #: 155 total cpu time spent up to now is 1276.1 secs Computing kpt #: 156 total cpu time spent up to now is 1281.9 secs Computing kpt #: 157 total cpu time spent up to now is 1287.7 secs Computing kpt #: 158 total cpu time spent up to now is 1293.4 secs Computing kpt #: 159 total cpu time spent up to now is 1298.9 secs Computing kpt #: 160 total cpu time spent up to now is 1304.4 secs Computing kpt #: 161 total cpu time spent up to now is 1309.8 secs Computing kpt #: 162 total cpu time spent up to now is 1315.1 secs Computing kpt #: 163 total cpu time spent up to now is 1320.1 secs Computing kpt #: 164 total cpu time spent up to now is 1325.3 secs Computing kpt #: 165 total cpu time spent up to now is 1330.3 secs Computing kpt #: 166 total cpu time spent up to now is 1335.3 secs Computing kpt #: 167 total cpu time spent up to now is 1340.5 secs Computing kpt #: 168 total cpu time spent up to now is 1345.7 secs Computing kpt #: 169 total cpu time spent up to now is 1350.6 secs Computing kpt #: 170 total cpu time spent up to now is 1355.8 secs Computing kpt #: 171 total cpu time spent up to now is 1361.0 secs Computing kpt #: 172 total cpu time spent up to now is 1366.2 secs Computing kpt #: 173 total cpu time spent up to now is 1371.3 secs Computing kpt #: 174 total cpu time spent up to now is 1376.6 secs Computing kpt #: 175 total cpu time spent up to now is 1382.0 secs Computing kpt #: 176 total cpu time spent up to now is 1387.8 secs Computing kpt #: 177 total cpu time spent up to now is 1393.7 secs Computing kpt #: 178 total cpu time spent up to now is 1399.7 secs Computing kpt #: 179 total cpu time spent up to now is 1407.1 secs Computing kpt #: 180 total cpu time spent up to now is 1414.4 secs Computing kpt #: 181 total cpu time spent up to now is 1421.0 secs Computing kpt #: 182 total cpu time spent up to now is 1427.2 secs Computing kpt #: 183 total cpu time spent up to now is 1433.1 secs Computing kpt #: 184 total cpu time spent up to now is 1438.9 secs Computing kpt #: 185 total cpu time spent up to now is 1444.7 secs Computing kpt #: 186 total cpu time spent up to now is 1449.9 secs Computing kpt #: 187 total cpu time spent up to now is 1455.0 secs Computing kpt #: 188 total cpu time spent up to now is 1460.3 secs Computing kpt #: 189 total cpu time spent up to now is 1465.3 secs Computing kpt #: 190 total cpu time spent up to now is 1470.2 secs Computing kpt #: 191 total cpu time spent up to now is 1475.1 secs Computing kpt #: 192 total cpu time spent up to now is 1479.8 secs Computing kpt #: 193 total cpu time spent up to now is 1484.3 secs Computing kpt #: 194 total cpu time spent up to now is 1489.5 secs Computing kpt #: 195 total cpu time spent up to now is 1494.4 secs Computing kpt #: 196 total cpu time spent up to now is 1499.1 secs Computing kpt #: 197 total cpu time spent up to now is 1504.0 secs Computing kpt #: 198 total cpu time spent up to now is 1508.7 secs Computing kpt #: 199 total cpu time spent up to now is 1513.8 secs Computing kpt #: 200 total cpu time spent up to now is 1518.9 secs Computing kpt #: 201 total cpu time spent up to now is 1524.2 secs Computing kpt #: 202 total cpu time spent up to now is 1529.4 secs Computing kpt #: 203 total cpu time spent up to now is 1534.6 secs Computing kpt #: 204 total cpu time spent up to now is 1539.8 secs Computing kpt #: 205 total cpu time spent up to now is 1545.1 secs Computing kpt #: 206 total cpu time spent up to now is 1550.4 secs Computing kpt #: 207 total cpu time spent up to now is 1556.1 secs Computing kpt #: 208 total cpu time spent up to now is 1561.8 secs Computing kpt #: 209 total cpu time spent up to now is 1567.5 secs Computing kpt #: 210 total cpu time spent up to now is 1573.1 secs Computing kpt #: 211 total cpu time spent up to now is 1578.7 secs Computing kpt #: 212 total cpu time spent up to now is 1584.5 secs Computing kpt #: 213 total cpu time spent up to now is 1590.1 secs Computing kpt #: 214 total cpu time spent up to now is 1596.0 secs Computing kpt #: 215 total cpu time spent up to now is 1601.9 secs Computing kpt #: 216 total cpu time spent up to now is 1608.0 secs Computing kpt #: 217 total cpu time spent up to now is 1614.0 secs Computing kpt #: 218 total cpu time spent up to now is 1620.0 secs Computing kpt #: 219 total cpu time spent up to now is 1626.2 secs Computing kpt #: 220 total cpu time spent up to now is 1632.4 secs Computing kpt #: 221 total cpu time spent up to now is 1638.1 secs Computing kpt #: 222 total cpu time spent up to now is 1643.9 secs ethr = 1.43E-11, avg # of iterations = 65.5 total cpu time spent up to now is 1644.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3973 -7.3973 -6.2827 -6.2827 -6.2795 -6.2795 -6.2795 -6.2795 0.8501 0.8501 0.8501 0.8501 1.4357 1.4357 2.4660 2.4660 2.5140 2.5140 2.5140 2.5140 2.9396 2.9396 3.0502 3.0502 3.0502 3.0502 3.5766 3.5766 3.5766 3.5766 3.6107 3.6107 3.6107 3.6107 3.6450 3.6450 4.0775 4.0775 4.1374 4.1374 4.1374 4.1374 4.2153 4.2153 4.2153 4.2153 4.2769 4.2769 4.8180 4.8180 4.9020 4.9020 4.9765 4.9765 4.9765 4.9765 5.9569 5.9569 5.9569 5.9569 5.9828 5.9828 7.4529 7.4529 7.4529 7.4529 8.0589 8.0589 8.2697 8.2697 8.2697 8.2697 8.9435 8.9435 11.0976 11.1001 k = 0.0000 0.0172-0.0000 ( 6619 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3967 -7.3967 -6.2831 -6.2831 -6.2801 -6.2801 -6.2795 -6.2795 0.8505 0.8505 0.8517 0.8517 1.4366 1.4366 2.4657 2.4657 2.5130 2.5130 2.5145 2.5145 2.9390 2.9390 3.0487 3.0487 3.0503 3.0503 3.5640 3.5640 3.5777 3.5777 3.6078 3.6078 3.6221 3.6221 3.6470 3.6470 4.0769 4.0769 4.1295 4.1295 4.1448 4.1448 4.2098 4.2098 4.2214 4.2214 4.2771 4.2771 4.8180 4.8180 4.9019 4.9019 4.9731 4.9731 4.9791 4.9791 5.9550 5.9550 5.9573 5.9573 5.9820 5.9820 7.4531 7.4531 7.4535 7.4535 8.0576 8.0576 8.2648 8.2648 8.2696 8.2696 8.9541 8.9541 11.0976 11.0977 k = 0.0000 0.0345-0.0000 ( 6575 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3947 -7.3947 -6.2848 -6.2848 -6.2809 -6.2809 -6.2795 -6.2795 0.8528 0.8528 0.8555 0.8555 1.4394 1.4394 2.4648 2.4648 2.5111 2.5111 2.5152 2.5152 2.9373 2.9373 3.0454 3.0454 3.0496 3.0496 3.5414 3.5414 3.5784 3.5784 3.6073 3.6073 3.6320 3.6320 3.6565 3.6565 4.0751 4.0751 4.1216 4.1216 4.1512 4.1512 4.2049 4.2049 4.2280 4.2280 4.2780 4.2780 4.8183 4.8183 4.9015 4.9015 4.9687 4.9687 4.9807 4.9807 5.9498 5.9498 5.9578 5.9578 5.9801 5.9801 7.4537 7.4537 7.4555 7.4555 8.0533 8.0533 8.2514 8.2514 8.2690 8.2690 8.9848 8.9848 11.0935 11.0935 k = 0.0000 0.0517-0.0000 ( 6567 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3915 -7.3915 -6.2888 -6.2888 -6.2812 -6.2812 -6.2794 -6.2794 0.8566 0.8566 0.8616 0.8616 1.4441 1.4441 2.4628 2.4628 2.5083 2.5083 2.5164 2.5164 2.9342 2.9342 3.0400 3.0400 3.0482 3.0482 3.5154 3.5154 3.5793 3.5793 3.6070 3.6070 3.6346 3.6346 3.6739 3.6739 4.0718 4.0718 4.1142 4.1142 4.1561 4.1561 4.2008 4.2008 4.2346 4.2346 4.2796 4.2796 4.8186 4.8186 4.9008 4.9008 4.9634 4.9634 4.9815 4.9815 5.9402 5.9402 5.9583 5.9583 5.9778 5.9778 7.4545 7.4545 7.4587 7.4587 8.0456 8.0456 8.2327 8.2327 8.2681 8.2681 9.0326 9.0326 11.0865 11.0865 k = 0.0000 0.0690-0.0000 ( 6551 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3870 -7.3870 -6.2947 -6.2947 -6.2812 -6.2812 -6.2793 -6.2793 0.8621 0.8621 0.8700 0.8700 1.4505 1.4505 2.4592 2.4592 2.5053 2.5053 2.5180 2.5180 2.9296 2.9296 3.0328 3.0328 3.0463 3.0463 3.4873 3.4873 3.5805 3.5805 3.6068 3.6068 3.6345 3.6345 3.6936 3.6936 4.0669 4.0669 4.1078 4.1078 4.1587 4.1587 4.1980 4.1980 4.2409 4.2409 4.2825 4.2825 4.8189 4.8189 4.8999 4.8999 4.9574 4.9574 4.9816 4.9816 5.9261 5.9261 5.9589 5.9589 5.9758 5.9758 7.4555 7.4555 7.4632 7.4632 8.0341 8.0341 8.2124 8.2124 8.2666 8.2666 9.0942 9.0942 11.0782 11.0782 k = 0.0000 0.0862-0.0000 ( 6547 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3813 -7.3813 -6.3024 -6.3024 -6.2812 -6.2812 -6.2792 -6.2792 0.8690 0.8690 0.8808 0.8808 1.4588 1.4588 2.4532 2.4532 2.5027 2.5027 2.5199 2.5199 2.9232 2.9232 3.0243 3.0243 3.0438 3.0438 3.4574 3.4574 3.5817 3.5817 3.6067 3.6067 3.6335 3.6335 3.7135 3.7135 4.0604 4.0604 4.1026 4.1026 4.1582 4.1582 4.1972 4.1972 4.2462 4.2462 4.2871 4.2871 4.8192 4.8192 4.8986 4.8986 4.9507 4.9507 4.9810 4.9810 5.9076 5.9076 5.9597 5.9597 5.9741 5.9741 7.4564 7.4564 7.4687 7.4687 8.0184 8.0184 8.1936 8.1936 8.2648 8.2648 9.1666 9.1666 11.0697 11.0697 k = 0.0000 0.1034-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3743 -7.3743 -6.3118 -6.3118 -6.2810 -6.2810 -6.2791 -6.2791 0.8775 0.8775 0.8939 0.8939 1.4690 1.4690 2.4443 2.4443 2.5013 2.5013 2.5223 2.5223 2.9147 2.9147 3.0148 3.0148 3.0408 3.0408 3.4259 3.4259 3.5830 3.5830 3.6068 3.6068 3.6320 3.6320 3.7331 3.7331 4.0527 4.0527 4.0986 4.0986 4.1546 4.1546 4.1985 4.1985 4.2502 4.2502 4.2938 4.2938 4.8195 4.8195 4.8970 4.8970 4.9436 4.9436 4.9800 4.9800 5.8853 5.8853 5.9606 5.9606 5.9725 5.9725 7.4570 7.4570 7.4752 7.4752 7.9990 7.9990 8.1778 8.1778 8.2623 8.2623 9.2473 9.2473 11.0619 11.0619 k = 0.0000 0.1207-0.0000 ( 6527 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3661 -7.3661 -6.3227 -6.3227 -6.2809 -6.2809 -6.2789 -6.2789 0.8874 0.8874 0.9093 0.9093 1.4809 1.4809 2.4323 2.4323 2.5012 2.5012 2.5251 2.5251 2.9037 2.9037 3.0050 3.0050 3.0373 3.0373 3.3926 3.3926 3.5840 3.5840 3.6073 3.6073 3.6302 3.6302 3.7522 3.7522 4.0443 4.0443 4.0953 4.0953 4.1484 4.1484 4.2012 4.2012 4.2527 4.2527 4.3023 4.3023 4.8196 4.8196 4.8951 4.8951 4.9363 4.9363 4.9787 4.9787 5.8595 5.8595 5.9615 5.9615 5.9709 5.9709 7.4570 7.4570 7.4825 7.4825 7.9771 7.9771 8.1654 8.1654 8.2593 8.2593 9.3348 9.3348 11.0554 11.0554 k = 0.0000 0.1379-0.0000 ( 6547 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3567 -7.3567 -6.3352 -6.3352 -6.2807 -6.2807 -6.2787 -6.2787 0.8987 0.8987 0.9269 0.9269 1.4946 1.4946 2.4173 2.4173 2.5021 2.5021 2.5282 2.5282 2.8897 2.8897 2.9953 2.9953 3.0333 3.0333 3.3577 3.3577 3.5846 3.5846 3.6082 3.6082 3.6282 3.6282 3.7707 3.7707 4.0357 4.0357 4.0925 4.0925 4.1406 4.1406 4.2046 4.2046 4.2541 4.2541 4.3122 4.3122 4.8195 4.8195 4.8929 4.8929 4.9292 4.9292 4.9772 4.9772 5.8309 5.8309 5.9623 5.9623 5.9692 5.9692 7.4563 7.4563 7.4905 7.4905 7.9542 7.9542 8.1557 8.1557 8.2555 8.2555 9.4274 9.4274 11.0507 11.0507 k = 0.0000 0.1552-0.0000 ( 6531 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3462 -7.3462 -6.3492 -6.3492 -6.2804 -6.2804 -6.2786 -6.2786 0.9114 0.9114 0.9466 0.9466 1.5100 1.5100 2.3997 2.3997 2.5041 2.5041 2.5317 2.5317 2.8727 2.8727 2.9863 2.9863 3.0288 3.0288 3.3212 3.3212 3.5847 3.5847 3.6097 3.6097 3.6260 3.6260 3.7886 3.7886 4.0275 4.0275 4.0900 4.0900 4.1317 4.1317 4.2081 4.2081 4.2549 4.2549 4.3230 4.3230 4.8192 4.8192 4.8904 4.8904 4.9224 4.9224 4.9756 4.9756 5.7999 5.7999 5.9629 5.9629 5.9677 5.9677 7.4545 7.4545 7.4992 7.4992 7.9317 7.9317 8.1480 8.1480 8.2512 8.2512 9.5242 9.5242 11.0482 11.0482 k = 0.0000 0.1724-0.0000 ( 6539 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3345 -7.3345 -6.3646 -6.3646 -6.2802 -6.2802 -6.2784 -6.2784 0.9253 0.9253 0.9685 0.9685 1.5272 1.5272 2.3797 2.3797 2.5067 2.5067 2.5355 2.5355 2.8526 2.8526 2.9780 2.9780 3.0238 3.0238 3.2831 3.2831 3.5843 3.5843 3.6114 3.6114 3.6238 3.6238 3.8058 3.8058 4.0197 4.0197 4.0876 4.0876 4.1220 4.1220 4.2114 4.2114 4.2552 4.2552 4.3343 4.3343 4.8186 4.8186 4.8873 4.8873 4.9165 4.9165 4.9741 4.9741 5.7670 5.7670 5.9628 5.9628 5.9666 5.9666 7.4516 7.4516 7.5082 7.5082 7.9107 7.9107 8.1414 8.1414 8.2460 8.2460 9.6243 9.6243 11.0479 11.0479 k = 0.0000 0.1897-0.0000 ( 6527 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3217 -7.3217 -6.3812 -6.3812 -6.2799 -6.2799 -6.2781 -6.2781 0.9404 0.9404 0.9924 0.9924 1.5461 1.5461 2.3574 2.3574 2.5099 2.5099 2.5396 2.5396 2.8297 2.8297 2.9705 2.9705 3.0184 3.0184 3.2435 3.2435 3.5835 3.5835 3.6132 3.6132 3.6220 3.6220 3.8220 3.8220 4.0128 4.0128 4.0853 4.0853 4.1120 4.1120 4.2142 4.2142 4.2552 4.2552 4.3457 4.3457 4.8178 4.8178 4.8837 4.8837 4.9119 4.9119 4.9728 4.9728 5.7326 5.7326 5.9616 5.9616 5.9666 5.9666 7.4475 7.4475 7.5176 7.5176 7.8918 7.8918 8.1356 8.1356 8.2402 8.2402 9.7267 9.7267 11.0501 11.0501 k = 0.0000 0.2069-0.0000 ( 6523 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3079 -7.3079 -6.3991 -6.3991 -6.2796 -6.2796 -6.2779 -6.2779 0.9566 0.9566 1.0182 1.0182 1.5666 1.5666 2.3331 2.3331 2.5135 2.5135 2.5439 2.5439 2.8044 2.8044 2.9637 2.9637 3.0124 3.0124 3.2027 3.2027 3.5824 3.5824 3.6141 3.6141 3.6214 3.6214 3.8371 3.8371 4.0071 4.0071 4.0830 4.0830 4.1019 4.1019 4.2165 4.2165 4.2551 4.2551 4.3571 4.3571 4.8170 4.8170 4.8795 4.8795 4.9087 4.9087 4.9717 4.9717 5.6971 5.6971 5.9595 5.9595 5.9670 5.9670 7.4422 7.4422 7.5270 7.5270 7.8753 7.8753 8.1301 8.1301 8.2338 8.2338 9.8308 9.8308 11.0546 11.0546 k = 0.0000 0.2241-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6860 -31.6860 -31.6858 -31.6858 -7.2931 -7.2931 -6.4181 -6.4181 -6.2793 -6.2793 -6.2777 -6.2777 0.9737 0.9737 1.0459 1.0459 1.5887 1.5887 2.3069 2.3069 2.5174 2.5174 2.5483 2.5483 2.7770 2.7770 2.9575 2.9575 3.0059 3.0059 3.1608 3.1608 3.5811 3.5811 3.6131 3.6131 3.6228 3.6228 3.8508 3.8508 4.0028 4.0028 4.0804 4.0804 4.0919 4.0919 4.2180 4.2180 4.2548 4.2548 4.3682 4.3682 4.8160 4.8160 4.8749 4.8749 4.9070 4.9070 4.9708 4.9708 5.6609 5.6609 5.9570 5.9570 5.9675 5.9675 7.4358 7.4358 7.5365 7.5365 7.8614 7.8614 8.1247 8.1247 8.2266 8.2266 9.9358 9.9358 11.0615 11.0615 k = 0.0000 0.2414-0.0000 ( 6531 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6860 -31.6860 -31.6858 -31.6858 -7.2773 -7.2773 -6.4380 -6.4380 -6.2790 -6.2790 -6.2775 -6.2775 0.9917 0.9917 1.0754 1.0754 1.6123 1.6123 2.2788 2.2788 2.5216 2.5216 2.5530 2.5530 2.7481 2.7481 2.9516 2.9516 2.9984 2.9984 3.1184 3.1184 3.5797 3.5797 3.6110 3.6110 3.6254 3.6254 3.8627 3.8627 4.0004 4.0004 4.0769 4.0769 4.0833 4.0833 4.2188 4.2188 4.2544 4.2544 4.3788 4.3788 4.8152 4.8152 4.8702 4.8702 4.9067 4.9067 4.9701 4.9701 5.6242 5.6242 5.9544 5.9544 5.9680 5.9680 7.4286 7.4286 7.5459 7.5459 7.8499 7.8499 8.1193 8.1193 8.2190 8.2190 10.0410 10.0410 11.0705 11.0705 k = 0.0000 0.2586-0.0000 ( 6527 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6860 -31.6860 -31.6858 -31.6858 -7.2607 -7.2607 -6.4589 -6.4589 -6.2787 -6.2787 -6.2772 -6.2772 1.0104 1.0104 1.1065 1.1065 1.6374 1.6374 2.2491 2.2491 2.5260 2.5260 2.5576 2.5576 2.7181 2.7181 2.9461 2.9461 2.9894 2.9894 3.0764 3.0764 3.5782 3.5782 3.6086 3.6086 3.6284 3.6284 3.8724 3.8724 4.0001 4.0001 4.0699 4.0699 4.0785 4.0785 4.2188 4.2188 4.2539 4.2539 4.3889 4.3889 4.8146 4.8146 4.8656 4.8656 4.9077 4.9077 4.9698 4.9698 5.5875 5.5875 5.9516 5.9516 5.9683 5.9683 7.4206 7.4206 7.5550 7.5550 7.8407 7.8407 8.1139 8.1139 8.2108 8.2108 10.1457 10.1457 11.0815 11.0815 k = 0.0000 0.2759-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6858 -31.6858 -7.2433 -7.2433 -6.4805 -6.4805 -6.2784 -6.2784 -6.2770 -6.2770 1.0297 1.0297 1.1391 1.1391 1.6638 1.6638 2.2178 2.2178 2.5305 2.5305 2.5622 2.5622 2.6872 2.6872 2.9406 2.9406 2.9764 2.9764 3.0377 3.0377 3.5767 3.5767 3.6061 3.6061 3.6314 3.6314 3.8797 3.8797 4.0020 4.0020 4.0611 4.0611 4.0761 4.0761 4.2181 4.2181 4.2534 4.2534 4.3981 4.3981 4.8143 4.8143 4.8613 4.8613 4.9097 4.9097 4.9699 4.9699 5.5510 5.5510 5.9487 5.9487 5.9685 5.9685 7.4123 7.4123 7.5639 7.5639 7.8334 7.8334 8.1084 8.1084 8.2024 8.2024 10.2490 10.2490 11.0942 11.0942 k = 0.0000 0.2931-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6858 -31.6858 -7.2253 -7.2253 -6.5027 -6.5027 -6.2781 -6.2781 -6.2768 -6.2768 1.0492 1.0492 1.1731 1.1731 1.6915 1.6915 2.1852 2.1852 2.5350 2.5350 2.5667 2.5667 2.6562 2.6562 2.9338 2.9338 2.9550 2.9550 3.0087 3.0087 3.5752 3.5752 3.6037 3.6037 3.6345 3.6345 3.8845 3.8845 4.0059 4.0059 4.0525 4.0525 4.0745 4.0745 4.2166 4.2166 4.2528 4.2528 4.4065 4.4065 4.8143 4.8143 4.8574 4.8574 4.9127 4.9127 4.9704 4.9704 5.5149 5.5149 5.9457 5.9457 5.9687 5.9687 7.4038 7.4038 7.5723 7.5723 7.8278 7.8278 8.1028 8.1028 8.1937 8.1937 10.3503 10.3503 11.1082 11.1082 k = 0.0000 0.3103-0.0000 ( 6539 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6858 -31.6858 -7.2067 -7.2067 -6.5253 -6.5253 -6.2778 -6.2778 -6.2766 -6.2766 1.0690 1.0690 1.2084 1.2084 1.7202 1.7202 2.1513 2.1513 2.5395 2.5395 2.5711 2.5711 2.6253 2.6253 2.9112 2.9112 2.9370 2.9370 2.9920 2.9920 3.5738 3.5738 3.6013 3.6013 3.6374 3.6374 3.8872 3.8872 4.0110 4.0110 4.0444 4.0444 4.0738 4.0738 4.2146 4.2146 4.2521 4.2521 4.4139 4.4139 4.8148 4.8148 4.8540 4.8540 4.9165 4.9165 4.9714 4.9714 5.4794 5.4794 5.9428 5.9428 5.9688 5.9688 7.3953 7.3953 7.5803 7.5803 7.8236 7.8236 8.0973 8.0973 8.1849 8.1849 10.4486 10.4486 11.1232 11.1232 k = 0.0000 0.3276-0.0000 ( 6539 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.1876 -7.1876 -6.5481 -6.5481 -6.2776 -6.2776 -6.2764 -6.2764 1.0886 1.0886 1.2447 1.2447 1.7499 1.7499 2.1163 2.1163 2.5439 2.5439 2.5746 2.5746 2.5956 2.5956 2.8708 2.8708 2.9313 2.9313 2.9814 2.9814 3.5724 3.5724 3.5990 3.5990 3.6402 3.6402 3.8882 3.8882 4.0163 4.0163 4.0373 4.0373 4.0743 4.0743 4.2121 4.2121 4.2514 4.2514 4.4202 4.4202 4.8156 4.8156 4.8511 4.8511 4.9210 4.9210 4.9732 4.9732 5.4448 5.4448 5.9399 5.9399 5.9688 5.9688 7.3871 7.3871 7.5877 7.5877 7.8204 7.8204 8.0919 8.0919 8.1763 8.1763 10.5432 10.5432 11.1384 11.1384 k = 0.0000 0.3448-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.1683 -7.1683 -6.5710 -6.5710 -6.2773 -6.2773 -6.2762 -6.2762 1.1078 1.1078 1.2819 1.2819 1.7801 1.7801 2.0803 2.0803 2.5475 2.5475 2.5636 2.5636 2.5817 2.5817 2.8273 2.8273 2.9275 2.9275 2.9731 2.9731 3.5712 3.5712 3.5969 3.5969 3.6428 3.6428 3.8881 3.8881 4.0199 4.0199 4.0318 4.0318 4.0764 4.0764 4.2094 4.2094 4.2507 4.2507 4.4255 4.4255 4.8169 4.8169 4.8486 4.8486 4.9258 4.9258 4.9760 4.9760 5.4113 5.4113 5.9371 5.9371 5.9687 5.9687 7.3793 7.3793 7.5945 7.5945 7.8182 7.8182 8.0866 8.0866 8.1678 8.1678 10.6333 10.6333 11.1535 11.1535 k = 0.0000 0.3621-0.0000 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.1490 -7.1490 -6.5936 -6.5936 -6.2770 -6.2770 -6.2760 -6.2760 1.1263 1.1263 1.3198 1.3198 1.8107 1.8107 2.0437 2.0437 2.5346 2.5346 2.5533 2.5533 2.5845 2.5845 2.7836 2.7836 2.9245 2.9245 2.9658 2.9658 3.5700 3.5700 3.5949 3.5949 3.6453 3.6453 3.8872 3.8872 4.0190 4.0190 4.0301 4.0301 4.0805 4.0805 4.2063 4.2063 4.2499 4.2499 4.4296 4.4296 4.8184 4.8184 4.8464 4.8464 4.9307 4.9307 4.9801 4.9801 5.3790 5.3790 5.9344 5.9344 5.9686 5.9686 7.3721 7.3721 7.6007 7.6007 7.8166 7.8166 8.0815 8.0815 8.1597 8.1597 10.7181 10.7181 11.1676 11.1676 k = 0.0000 0.3793-0.0000 ( 6527 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.1300 -7.1300 -6.6157 -6.6157 -6.2768 -6.2768 -6.2759 -6.2759 1.1439 1.1439 1.3581 1.3581 1.8411 1.8411 2.0067 2.0067 2.5088 2.5088 2.5563 2.5563 2.5878 2.5878 2.7410 2.7410 2.9222 2.9222 2.9591 2.9591 3.5690 3.5690 3.5931 3.5931 3.6475 3.6475 3.8859 3.8859 4.0149 4.0149 4.0306 4.0306 4.0863 4.0863 4.2032 4.2032 4.2492 4.2492 4.4328 4.4328 4.8202 4.8202 4.8445 4.8445 4.9351 4.9351 4.9858 4.9858 5.3481 5.3481 5.9319 5.9319 5.9685 5.9685 7.3657 7.3657 7.6062 7.6062 7.8154 7.8154 8.0769 8.0769 8.1522 8.1522 10.7970 10.7970 11.1800 11.1800 k = 0.0000 0.3966-0.0000 ( 6523 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.1115 -7.1115 -6.6369 -6.6369 -6.2766 -6.2766 -6.2758 -6.2758 1.1601 1.1601 1.3964 1.3964 1.8705 1.8705 1.9699 1.9699 2.4849 2.4849 2.5589 2.5589 2.5908 2.5908 2.7008 2.7008 2.9204 2.9204 2.9529 2.9529 3.5680 3.5680 3.5915 3.5915 3.6495 3.6495 3.8845 3.8845 4.0106 4.0106 4.0309 4.0309 4.0932 4.0932 4.2002 4.2002 4.2485 4.2485 4.4350 4.4350 4.8221 4.8221 4.8429 4.8429 4.9387 4.9387 4.9933 4.9933 5.3190 5.3190 5.9297 5.9297 5.9684 5.9684 7.3599 7.3599 7.6110 7.6110 7.8147 7.8147 8.0726 8.0726 8.1454 8.1454 10.8692 10.8692 11.1901 11.1901 k = 0.0000 0.4138-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0941 -7.0941 -6.6567 -6.6567 -6.2764 -6.2764 -6.2757 -6.2757 1.1746 1.1746 1.4342 1.4342 1.8969 1.8969 1.9352 1.9352 2.4636 2.4636 2.5603 2.5603 2.5933 2.5933 2.6643 2.6643 2.9194 2.9194 2.9472 2.9472 3.5672 3.5672 3.5901 3.5901 3.6512 3.6512 3.8830 3.8830 4.0067 4.0067 4.0306 4.0306 4.1004 4.1004 4.1973 4.1973 4.2479 4.2479 4.4365 4.4365 4.8242 4.8242 4.8414 4.8414 4.9415 4.9415 5.0024 5.0024 5.2919 5.2919 5.9277 5.9277 5.9683 5.9683 7.3550 7.3550 7.6151 7.6151 7.8142 7.8142 8.0689 8.0689 8.1393 8.1393 10.9343 10.9343 11.1968 11.1968 k = 0.0000 0.4310-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0782 -7.0782 -6.6745 -6.6745 -6.2762 -6.2762 -6.2756 -6.2756 1.1871 1.1871 1.4706 1.4706 1.8924 1.8924 1.9302 1.9302 2.4455 2.4455 2.5594 2.5594 2.5951 2.5951 2.6338 2.6338 2.9189 2.9189 2.9420 2.9420 3.5666 3.5666 3.5889 3.5889 3.6526 3.6526 3.8817 3.8817 4.0034 4.0034 4.0300 4.0300 4.1072 4.1072 4.1946 4.1946 4.2473 4.2473 4.4373 4.4373 4.8263 4.8263 4.8400 4.8400 4.9436 4.9436 5.0126 5.0126 5.2674 5.2674 5.9260 5.9260 5.9681 5.9681 7.3509 7.3509 7.6185 7.6185 7.8139 7.8139 8.0657 8.0657 8.1342 8.1342 10.9920 10.9920 11.1995 11.1995 k = 0.0000 0.4483-0.0000 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0646 -7.0646 -6.6896 -6.6896 -6.2761 -6.2761 -6.2755 -6.2755 1.1972 1.1972 1.5046 1.5046 1.8613 1.8613 1.9508 1.9508 2.4310 2.4310 2.5544 2.5544 2.5959 2.5959 2.6126 2.6126 2.9190 2.9190 2.9374 2.9374 3.5661 3.5661 3.5880 3.5880 3.6537 3.6537 3.8806 3.8806 4.0009 4.0009 4.0293 4.0293 4.1131 4.1131 4.1924 4.1924 4.2469 4.2469 4.4378 4.4378 4.8283 4.8283 4.8386 4.8386 4.9450 4.9450 5.0228 5.0228 5.2462 5.2462 5.9247 5.9247 5.9680 5.9680 7.3478 7.3478 7.6212 7.6212 7.8138 7.8138 8.0632 8.0632 8.1301 8.1301 11.0419 11.0419 11.1974 11.1974 k = 0.0000 0.4655-0.0000 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0541 -7.0541 -6.7012 -6.7012 -6.2760 -6.2760 -6.2755 -6.2755 1.2047 1.2047 1.5337 1.5337 1.8330 1.8330 1.9681 1.9681 2.4204 2.4204 2.5453 2.5453 2.5944 2.5944 2.6035 2.6035 2.9197 2.9197 2.9336 2.9336 3.5657 3.5657 3.5873 3.5873 3.6545 3.6545 3.8798 3.8798 3.9990 3.9990 4.0288 4.0288 4.1176 4.1176 4.1907 4.1907 4.2466 4.2466 4.4379 4.4379 4.8303 4.8303 4.8372 4.8372 4.9459 4.9459 5.0320 5.0320 5.2293 5.2293 5.9237 5.9237 5.9679 5.9679 7.3455 7.3455 7.6231 7.6231 7.8137 7.8137 8.0614 8.0614 8.1271 8.1271 11.0838 11.0838 11.1903 11.1903 k = 0.0000 0.4828-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0474 -7.0474 -6.7086 -6.7086 -6.2759 -6.2759 -6.2755 -6.2755 1.2092 1.2092 1.5543 1.5543 1.8128 1.8128 1.9793 1.9793 2.4139 2.4139 2.5367 2.5367 2.5919 2.5919 2.6019 2.6019 2.9206 2.9206 2.9307 2.9307 3.5655 3.5655 3.5869 3.5869 3.6549 3.6549 3.8792 3.8792 3.9979 3.9979 4.0283 4.0283 4.1205 4.1205 4.1897 4.1897 4.2464 4.2464 4.4380 4.4380 4.8321 4.8321 4.8357 4.8357 4.9463 4.9463 5.0385 5.0385 5.2181 5.2181 5.9231 5.9231 5.9679 5.9679 7.3441 7.3441 7.6242 7.6242 7.8136 7.8136 8.0603 8.0603 8.1253 8.1253 11.1163 11.1163 11.1788 11.1788 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0451 -7.0451 -6.7112 -6.7112 -6.2759 -6.2759 -6.2755 -6.2755 1.2108 1.2108 1.5620 1.5620 1.8052 1.8052 1.9832 1.9832 2.4118 2.4118 2.5333 2.5333 2.5911 2.5911 2.6017 2.6017 2.9210 2.9210 2.9295 2.9295 3.5654 3.5654 3.5868 3.5868 3.6550 3.6550 3.8790 3.8790 3.9975 3.9975 4.0282 4.0282 4.1214 4.1214 4.1893 4.1893 4.2463 4.2463 4.4380 4.4380 4.8333 4.8333 4.8347 4.8347 4.9465 4.9465 5.0409 5.0409 5.2142 5.2142 5.9229 5.9229 5.9678 5.9678 7.3436 7.3436 7.6246 7.6246 7.8136 7.8136 8.0599 8.0599 8.1246 8.1246 11.1320 11.1320 11.1702 11.1702 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0451 -7.0451 -6.7112 -6.7112 -6.2759 -6.2759 -6.2755 -6.2755 1.2108 1.2108 1.5620 1.5620 1.8052 1.8052 1.9832 1.9832 2.4118 2.4118 2.5333 2.5333 2.5911 2.5911 2.6017 2.6017 2.9210 2.9210 2.9295 2.9295 3.5654 3.5654 3.5868 3.5868 3.6550 3.6550 3.8790 3.8790 3.9975 3.9975 4.0282 4.0282 4.1214 4.1214 4.1893 4.1893 4.2463 4.2463 4.4380 4.4380 4.8333 4.8333 4.8347 4.8347 4.9465 4.9465 5.0409 5.0409 5.2142 5.2142 5.9229 5.9229 5.9678 5.9678 7.3436 7.3436 7.6246 7.6246 7.8136 7.8136 8.0599 8.0599 8.1246 8.1246 11.1320 11.1320 11.1702 11.1702 k = 0.0172 0.5000-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0446 -7.0445 -6.7109 -6.7109 -6.2763 -6.2763 -6.2759 -6.2758 1.2098 1.2128 1.5616 1.5622 1.8043 1.8054 1.9818 1.9851 2.4091 2.4143 2.5246 2.5408 2.5853 2.5947 2.6030 2.6035 2.9204 2.9206 2.9290 2.9297 3.5591 3.5650 3.5797 3.5873 3.6562 3.6608 3.8780 3.8802 3.9924 4.0023 4.0150 4.0434 4.1186 4.1247 4.1873 4.1913 4.2387 4.2587 4.4367 4.4406 4.8152 4.8327 4.8350 4.8417 4.9463 4.9571 5.0383 5.0433 5.2124 5.2177 5.9213 5.9227 5.9653 5.9686 7.3444 7.3452 7.6241 7.6255 7.8138 7.8154 8.0580 8.0615 8.1243 8.1247 11.1313 11.1363 11.1721 11.1757 k = 0.0345 0.5000-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0431 -7.0430 -6.7101 -6.7100 -6.2779 -6.2779 -6.2767 -6.2767 1.2097 1.2157 1.5609 1.5622 1.8028 1.8049 1.9809 1.9875 2.4063 2.4168 2.5152 2.5465 2.5798 2.5942 2.6062 2.6087 2.9184 2.9194 2.9283 2.9290 3.5471 3.5577 3.5680 3.5810 3.6634 3.6713 3.8773 3.8811 3.9877 3.9993 4.0109 4.0597 4.1170 4.1272 4.1820 4.1969 4.2380 4.2732 4.4370 4.4446 4.7917 4.8282 4.8351 4.8387 4.9590 4.9718 5.0357 5.0462 5.2125 5.2231 5.9178 5.9207 5.9609 5.9677 7.3476 7.3492 7.6242 7.6269 7.8157 7.8191 8.0552 8.0630 8.1235 8.1249 11.1342 11.1440 11.1813 11.1885 k = 0.0517 0.5000-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0405 -7.0404 -6.7087 -6.7087 -6.2807 -6.2805 -6.2780 -6.2780 1.2107 1.2197 1.5600 1.5618 1.8006 1.8037 1.9805 1.9905 2.4033 2.4191 2.5054 2.5491 2.5759 2.5924 2.6099 2.6158 2.9149 2.9177 2.9275 2.9276 3.5312 3.5453 3.5529 3.5697 3.6740 3.6841 3.8770 3.8818 3.9839 3.9894 4.0152 4.0764 4.1172 4.1280 4.1734 4.2079 4.2434 4.2880 4.4393 4.4503 4.7663 4.8160 4.8339 4.8347 4.9787 4.9855 5.0346 5.0513 5.2142 5.2304 5.9125 5.9170 5.9550 5.9651 7.3530 7.3554 7.6250 7.6288 7.8192 7.8247 8.0509 8.0639 8.1228 8.1260 11.1406 11.1553 11.1978 11.2085 k = 0.0690 0.5000-0.0000 ( 6510 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0370 -7.0369 -6.7068 -6.7067 -6.2845 -6.2843 -6.2799 -6.2799 1.2126 1.2245 1.5588 1.5612 1.7976 1.8017 1.9807 1.9940 2.4002 2.4210 2.4955 2.5480 2.5744 2.5901 2.6148 2.6233 2.9100 2.9154 2.9250 2.9269 3.5127 3.5296 3.5347 3.5549 3.6861 3.6979 3.8773 3.8820 3.9805 3.9809 4.0196 4.0926 4.1193 4.1274 4.1635 4.2241 4.2523 4.3017 4.4443 4.4579 4.7404 4.7975 4.8305 4.8340 4.9942 4.9952 5.0399 5.0606 5.2180 5.2399 5.9054 5.9117 5.9477 5.9611 7.3606 7.3639 7.6265 7.6313 7.8240 7.8321 8.0442 8.0638 8.1230 8.1287 11.1505 11.1698 11.2215 11.2356 k = 0.0862 0.5000-0.0000 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.0325 -7.0323 -6.7043 -6.7042 -6.2894 -6.2891 -6.2823 -6.2823 1.2155 1.2302 1.5573 1.5604 1.7939 1.7991 1.9817 1.9983 2.3970 2.4225 2.4858 2.5439 2.5744 2.5877 2.6209 2.6310 2.9038 2.9125 2.9217 2.9260 3.4922 3.5101 3.5155 3.5376 3.6985 3.7118 3.8781 3.8818 3.9732 3.9788 4.0237 4.1066 4.1242 4.1263 4.1538 4.2440 4.2630 4.3128 4.4528 4.4678 4.7145 4.7765 4.8272 4.8330 4.9967 4.9995 5.0575 5.0745 5.2241 5.2516 5.8968 5.9049 5.9395 5.9561 7.3701 7.3744 7.6291 7.6346 7.8297 7.8412 8.0350 8.0618 8.1251 8.1335 11.1636 11.1876 11.2522 11.2696 k = 0.1034 0.5000-0.0000 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0270 -7.0267 -6.7013 -6.7013 -6.2953 -6.2950 -6.2852 -6.2852 1.2192 1.2368 1.5556 1.5593 1.7894 1.7957 1.9834 2.0032 2.3934 2.4230 2.4767 2.5384 2.5746 2.5852 2.6281 2.6387 2.8965 2.9089 2.9177 2.9248 3.4704 3.4866 3.4969 3.5187 3.7108 3.7254 3.8794 3.8813 3.9677 3.9775 4.0274 4.1160 4.1252 4.1332 4.1450 4.2663 4.2746 4.3204 4.4655 4.4802 4.6891 4.7544 4.8234 4.8318 4.9942 4.9957 5.0812 5.0907 5.2337 5.2659 5.8867 5.8965 5.9311 5.9505 7.3814 7.3867 7.6327 7.6387 7.8357 7.8516 8.0235 8.0580 8.1297 8.1402 11.1798 11.2082 11.2897 11.3102 k = 0.1207 0.5000-0.0000 ( 6510 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0205 -7.0202 -6.6978 -6.6977 -6.3023 -6.3019 -6.2886 -6.2885 1.2239 1.2441 1.5536 1.5580 1.7841 1.7915 1.9860 2.0090 2.3895 2.4221 2.4690 2.5324 2.5745 2.5826 2.6361 2.6465 2.8882 2.9042 2.9135 2.9234 3.4474 3.4609 3.4780 3.4987 3.7225 3.7383 3.8805 3.8812 3.9637 3.9770 4.0309 4.1220 4.1245 4.1356 4.1459 4.2868 4.2900 4.3243 4.4822 4.4951 4.6644 4.7319 4.8192 4.8304 4.9883 4.9889 5.1035 5.1066 5.2479 5.2832 5.8751 5.8864 5.9232 5.9450 7.3941 7.4007 7.6378 7.6439 7.8413 7.8628 8.0106 8.0531 8.1365 8.1485 11.1988 11.2314 11.3338 11.3573 k = 0.1379 0.5000-0.0000 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0131 -7.0128 -6.6938 -6.6937 -6.3103 -6.3098 -6.2925 -6.2924 1.2293 1.2522 1.5514 1.5564 1.7779 1.7865 1.9896 2.0158 2.3853 2.4188 2.4634 2.5264 2.5740 2.5801 2.6447 2.6544 2.8788 2.8981 2.9094 2.9218 3.4236 3.4341 3.4585 3.4780 3.7335 3.7503 3.8799 3.8835 3.9610 3.9772 4.0342 4.1245 4.1263 4.1298 4.1556 4.2999 4.3142 4.3250 4.5019 4.5126 4.6408 4.7093 4.8144 4.8289 4.9801 4.9806 5.1204 5.1207 5.2679 5.3033 5.8622 5.8744 5.9171 5.9404 7.4080 7.4159 7.6445 7.6503 7.8456 7.8737 7.9974 8.0483 8.1453 8.1582 11.2202 11.2568 11.3842 11.4105 k = 0.1552 0.5000-0.0000 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0047 -7.0044 -6.6893 -6.6892 -6.3192 -6.3187 -6.2968 -6.2967 1.2355 1.2609 1.5490 1.5547 1.7708 1.7806 1.9944 2.0236 2.3807 2.4129 2.4603 2.5207 2.5733 2.5777 2.6537 2.6625 2.8684 2.8904 2.9056 2.9200 3.3994 3.4069 3.4386 3.4568 3.7436 3.7613 3.8797 3.8861 3.9595 3.9780 4.0376 4.1228 4.1251 4.1323 4.1634 4.3140 4.3225 4.3387 4.5230 4.5323 4.6191 4.6868 4.8090 4.8273 4.9704 4.9716 5.1310 5.1316 5.2937 5.3262 5.8479 5.8606 5.9134 5.9375 7.4227 7.4320 7.6529 7.6584 7.8476 7.8824 7.9864 8.0451 8.1554 8.1689 11.2436 11.2840 11.4405 11.4693 k = 0.1724 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9955 -6.9951 -6.6844 -6.6843 -6.3291 -6.3285 -6.3016 -6.3015 1.2425 1.2701 1.5463 1.5527 1.7628 1.7739 2.0005 2.0326 2.3756 2.4048 2.4596 2.5154 2.5725 2.5756 2.6630 2.6706 2.8571 2.8814 2.9020 2.9179 3.3750 3.3797 3.4181 3.4354 3.7527 3.7713 3.8802 3.8890 3.9588 3.9795 4.0412 4.1183 4.1263 4.1368 4.1688 4.3185 4.3291 4.3626 4.5415 4.5538 4.6026 4.6648 4.8032 4.8258 4.9594 4.9622 5.1364 5.1378 5.3235 5.3512 5.8324 5.8451 5.9130 5.9372 7.4379 7.4487 7.6634 7.6682 7.8463 7.8857 7.9808 8.0448 8.1664 8.1802 11.2686 11.3124 11.5024 11.5334 k = 0.1897 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9854 -6.9850 -6.6790 -6.6789 -6.3398 -6.3392 -6.3068 -6.3067 1.2502 1.2799 1.5435 1.5505 1.7538 1.7663 2.0080 2.0429 2.3702 2.3953 2.4602 2.5105 2.5717 2.5737 2.6724 2.6788 2.8448 2.8711 2.8986 2.9157 3.3506 3.3530 3.3971 3.4138 3.7607 3.7803 3.8816 3.8921 3.9587 3.9815 4.0451 4.1149 4.1280 4.1410 4.1719 4.3129 4.3453 4.3858 4.5463 4.5761 4.6018 4.6439 4.7968 4.8243 4.9475 4.9527 5.1363 5.1407 5.3552 5.3772 5.8158 5.8283 5.9165 5.9403 7.4532 7.4655 7.6761 7.6800 7.8412 7.8809 7.9837 8.0482 8.1780 8.1919 11.2945 11.3414 11.5692 11.6019 k = 0.2069 0.5000-0.0000 ( 6538 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9745 -6.9741 -6.6732 -6.6731 -6.3514 -6.3508 -6.3125 -6.3123 1.2585 1.2901 1.5405 1.5481 1.7439 1.7578 2.0171 2.0544 2.3643 2.3851 2.4618 2.5062 2.5710 2.5722 2.6818 2.6870 2.8317 2.8596 2.8953 2.9134 3.3265 3.3269 3.3757 3.3920 3.7676 3.7883 3.8840 3.8954 3.9591 3.9838 4.0493 4.1127 4.1302 4.1442 4.1737 4.3063 4.3625 4.4084 4.5339 4.5954 4.6195 4.6275 4.7901 4.8228 4.9351 4.9432 5.1321 5.1397 5.3869 5.4033 5.7982 5.8106 5.9243 5.9475 7.4684 7.4819 7.6910 7.6941 7.8324 7.8687 7.9945 8.0554 8.1898 8.2036 11.3207 11.3702 11.6404 11.6741 k = 0.2241 0.5000-0.0000 ( 6546 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9628 -6.9623 -6.6671 -6.6670 -6.3638 -6.3631 -6.3184 -6.3183 1.2674 1.3007 1.5373 1.5456 1.7331 1.7485 2.0278 2.0674 2.3582 2.3746 2.4638 2.5024 2.5705 2.5712 2.6912 2.6954 2.8179 2.8469 2.8921 2.9109 3.3016 3.3028 3.3538 3.3701 3.7736 3.7956 3.8873 3.8988 3.9596 3.9862 4.0539 4.1114 4.1327 4.1462 4.1752 4.2991 4.3804 4.4301 4.5162 4.5923 4.6347 4.6434 4.7830 4.8213 4.9225 4.9339 5.1244 5.1349 5.4169 5.4283 5.7799 5.7922 5.9371 5.9593 7.4830 7.4976 7.7081 7.7107 7.8204 7.8524 8.0103 8.0660 8.2016 8.2152 11.3466 11.3982 11.7148 11.7482 k = 0.2414 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9504 -6.9499 -6.6606 -6.6605 -6.3769 -6.3762 -6.3248 -6.3246 1.2770 1.3116 1.5340 1.5430 1.7214 1.7383 2.0401 2.0817 2.3518 2.3640 2.4660 2.4992 2.5703 2.5706 2.7004 2.7037 2.8033 2.8331 2.8891 2.9084 3.2775 3.2798 3.3317 3.3480 3.7787 3.8020 3.8915 3.9023 3.9603 3.9884 4.0588 4.1108 4.1355 4.1467 4.1773 4.2916 4.3989 4.4506 4.4982 4.5745 4.6574 4.6686 4.7758 4.8196 4.9101 4.9249 5.1137 5.1266 5.4443 5.4516 5.7612 5.7735 5.9549 5.9758 7.4969 7.5123 7.7270 7.7298 7.8062 7.8344 8.0288 8.0793 8.2132 8.2264 11.3713 11.4243 11.7910 11.8209 k = 0.2586 0.5000-0.0000 ( 6546 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9373 -6.9368 -6.6538 -6.6537 -6.3908 -6.3900 -6.3314 -6.3312 1.2870 1.3227 1.5306 1.5404 1.7087 1.7273 2.0542 2.0975 2.3454 2.3537 2.4684 2.4965 2.5703 2.5705 2.7092 2.7122 2.7882 2.8182 2.8863 2.9058 3.2544 3.2574 3.3093 3.3260 3.7833 3.8079 3.8963 3.9058 3.9611 3.9902 4.0642 4.1105 4.1384 4.1461 4.1803 4.2840 4.4177 4.4661 4.4847 4.5554 4.6816 4.6934 4.7688 4.8176 4.8986 4.9164 5.1005 5.1151 5.4685 5.4726 5.7421 5.7546 5.9775 5.9970 7.5099 7.5257 7.7469 7.7513 7.7905 7.8171 8.0489 8.0945 8.2242 8.2371 11.3940 11.4477 11.8650 11.8800 k = 0.2759 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9236 -6.9230 -6.6467 -6.6466 -6.4052 -6.4044 -6.3382 -6.3381 1.2976 1.3341 1.5271 1.5377 1.6952 1.7156 2.0701 2.1147 2.3390 2.3438 2.4709 2.4942 2.5707 2.5710 2.7170 2.7206 2.7732 2.8022 2.8836 2.9033 3.2326 3.2359 3.2869 3.3041 3.7875 3.8133 3.9016 3.9094 3.9617 3.9914 4.0697 4.1097 4.1411 4.1458 4.1841 4.2766 4.4368 4.4578 4.4953 4.5367 4.7049 4.7171 4.7627 4.8148 4.8886 4.9084 5.0849 5.1006 5.4892 5.4910 5.7231 5.7358 6.0045 6.0222 7.5219 7.5377 7.7632 7.7722 7.7770 7.8054 8.0696 8.1110 8.2345 8.2469 11.4140 11.4676 11.8910 11.9179 k = 0.2931 0.5000-0.0000 ( 6530 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9093 -6.9087 -6.6395 -6.6394 -6.4202 -6.4194 -6.3453 -6.3451 1.3087 1.3457 1.5235 1.5349 1.6810 1.7032 2.0877 2.1331 2.3329 2.3344 2.4734 2.4923 2.5713 2.5720 2.7219 2.7289 2.7601 2.7851 2.8813 2.9008 3.2121 3.2153 3.2645 3.2825 3.7915 3.8182 3.9072 3.9131 3.9624 3.9919 4.0755 4.1079 4.1438 4.1467 4.1884 4.2699 4.4421 4.4557 4.5138 4.5190 4.7239 4.7388 4.7605 4.8107 4.8813 4.9010 5.0674 5.0836 5.5067 5.5070 5.7044 5.7172 6.0349 6.0507 7.5329 7.5484 7.7574 7.7623 7.8011 7.8130 8.0905 8.1281 8.2439 8.2559 11.4307 11.4832 11.8555 11.8994 k = 0.3103 0.5000-0.0000 ( 6518 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.8946 -6.8940 -6.6321 -6.6320 -6.4356 -6.4348 -6.3525 -6.3524 1.3204 1.3575 1.5200 1.5323 1.6660 1.6902 2.1069 2.1527 2.3256 2.3274 2.4758 2.4907 2.5720 2.5735 2.7188 2.7369 2.7540 2.7672 2.8792 2.8983 3.1931 3.1956 3.2425 3.2612 3.7953 3.8228 3.9129 3.9168 3.9628 3.9916 4.0811 4.1047 4.1461 4.1493 4.1929 4.2639 4.4267 4.4725 4.5046 4.5326 4.7311 4.7579 4.7693 4.8046 4.8778 4.8944 5.0483 5.0643 5.5206 5.5212 5.6861 5.6992 6.0677 6.0814 7.5430 7.5578 7.7415 7.7489 7.8282 7.8354 8.1113 8.1453 8.2522 8.2637 11.4436 11.4941 11.8064 11.8472 k = 0.3276 0.5000-0.0000 ( 6514 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.8795 -6.8788 -6.6246 -6.6245 -6.4513 -6.4505 -6.3598 -6.3597 1.3325 1.3694 1.5164 1.5298 1.6504 1.6766 2.1277 2.1731 2.3176 2.3226 2.4781 2.4893 2.5727 2.5753 2.7059 2.7417 2.7511 2.7566 2.8773 2.8959 3.1754 3.1771 3.2209 3.2405 3.7992 3.8269 3.9185 3.9206 3.9631 3.9905 4.0866 4.1007 4.1481 4.1531 4.1976 4.2589 4.4123 4.4745 4.5058 4.5512 4.7283 4.7738 4.7868 4.7965 4.8784 4.8886 5.0280 5.0432 5.5321 5.5330 5.6686 5.6817 6.1017 6.1135 7.5521 7.5660 7.7263 7.7337 7.8564 7.8618 8.1314 8.1622 8.2594 8.2703 11.4526 11.5002 11.7543 11.7904 k = 0.3448 0.5000-0.0000 ( 6502 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8641 -6.8634 -6.6172 -6.6171 -6.4673 -6.4665 -6.3671 -6.3669 1.3450 1.3814 1.5129 1.5274 1.6343 1.6626 2.1498 2.1939 2.3104 2.3192 2.4803 2.4881 2.5732 2.5774 2.6888 2.7257 2.7546 2.7628 2.8758 2.8936 3.1593 3.1598 3.2001 3.2206 3.8032 3.8307 3.9238 3.9244 3.9633 3.9886 4.0914 4.0965 4.1497 4.1577 4.2025 4.2552 4.3992 4.4617 4.5232 4.5697 4.7230 4.7846 4.7886 4.8052 4.8828 4.8839 5.0070 5.0209 5.5419 5.5427 5.6520 5.6652 6.1358 6.1457 7.5603 7.5732 7.7122 7.7189 7.8850 7.8894 8.1506 8.1784 8.2653 8.2756 11.4579 11.5019 11.7027 11.7343 k = 0.3621 0.5000-0.0000 ( 6500 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8486 -6.8479 -6.6099 -6.6098 -6.4834 -6.4825 -6.3743 -6.3741 1.3581 1.3936 1.5095 1.5254 1.6178 1.6483 2.1730 2.2141 2.3043 2.3180 2.4824 2.4868 2.5730 2.5797 2.6705 2.7046 2.7619 2.7696 2.8746 2.8913 3.1437 3.1448 3.1803 3.2016 3.8073 3.8340 3.9282 3.9289 3.9632 3.9861 4.0926 4.0955 4.1512 4.1623 4.2075 4.2526 4.3874 4.4469 4.5435 4.5880 4.7175 4.7759 4.7961 4.8215 4.8809 4.8897 4.9858 4.9980 5.5501 5.5506 5.6366 5.6497 6.1690 6.1771 7.5676 7.5793 7.6994 7.7054 7.9137 7.9172 8.1685 8.1933 8.2700 8.2796 11.4600 11.4997 11.6535 11.6808 k = 0.3793 0.5000-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8331 -6.8325 -6.6028 -6.6027 -6.4993 -6.4985 -6.3813 -6.3811 1.3717 1.4057 1.5062 1.5237 1.6009 1.6337 2.1966 2.2322 2.2997 2.3203 2.4845 2.4855 2.5712 2.5817 2.6525 2.6824 2.7691 2.7763 2.8737 2.8891 3.1292 3.1319 3.1618 3.1837 3.8115 3.8368 3.9320 3.9336 3.9630 3.9830 4.0892 4.0983 4.1527 4.1665 4.2127 4.2512 4.3772 4.4325 4.5647 4.6060 4.7123 4.7650 4.8030 4.8332 4.8806 4.8971 4.9651 4.9754 5.5568 5.5569 5.6225 5.6354 6.2003 6.2068 7.5741 7.5845 7.6881 7.6934 7.9416 7.9445 8.1848 8.2067 8.2734 8.2822 11.4595 11.4946 11.6078 11.6311 k = 0.3966 0.5000-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8180 -6.8174 -6.5960 -6.5959 -6.5149 -6.5141 -6.3879 -6.3877 1.3857 1.4179 1.5029 1.5225 1.5838 1.6191 2.2198 2.2462 2.2973 2.3281 2.4839 2.4865 2.5667 2.5832 2.6365 2.6598 2.7758 2.7825 2.8731 2.8870 3.1163 3.1208 3.1450 3.1672 3.8157 3.8391 3.9357 3.9379 3.9625 3.9795 4.0866 4.0998 4.1545 4.1700 4.2181 4.2507 4.3687 4.4187 4.5864 4.6238 4.7080 4.7544 4.8083 4.8388 4.8833 4.9020 4.9466 4.9555 5.5617 5.5624 5.6102 5.6227 6.2289 6.2341 7.5798 7.5888 7.6784 7.6829 7.9684 7.9707 8.1993 8.2181 8.2758 8.2837 11.4572 11.4874 11.5666 11.5862 k = 0.4138 0.5000-0.0000 ( 6514 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8035 -6.8029 -6.5898 -6.5898 -6.5297 -6.5290 -6.3940 -6.3939 1.4002 1.4300 1.4997 1.5219 1.5667 1.6046 2.2402 2.2548 2.2993 2.3423 2.4819 2.4884 2.5580 2.5828 2.6245 2.6380 2.7820 2.7879 2.8729 2.8850 3.1052 3.1114 3.1303 3.1521 3.8200 3.8408 3.9393 3.9417 3.9619 3.9757 4.0849 4.0999 4.1568 4.1725 4.2236 4.2507 4.3619 4.4059 4.6081 4.6412 4.7046 4.7442 4.8124 4.8391 4.8850 4.8986 4.9332 4.9435 5.5652 5.5668 5.5998 5.6117 6.2543 6.2582 7.5848 7.5923 7.6703 7.6741 7.9933 7.9951 8.2114 8.2271 8.2775 8.2842 11.4540 11.4792 11.5307 11.5467 k = 0.4310 0.5000-0.0000 ( 6508 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7900 -6.7895 -6.5843 -6.5843 -6.5434 -6.5427 -6.3994 -6.3993 1.4152 1.4417 1.4965 1.5219 1.5498 1.5903 2.2540 2.2590 2.3090 2.3613 2.4790 2.4903 2.5451 2.5774 2.6171 2.6204 2.7874 2.7925 2.8730 2.8831 3.0962 3.1035 3.1182 3.1388 3.8242 3.8418 3.9427 3.9452 3.9610 3.9719 4.0842 4.0988 4.1596 4.1740 4.2290 4.2509 4.3572 4.3941 4.6297 4.6578 4.7024 4.7348 4.8156 4.8361 4.8798 4.8848 4.9294 4.9419 5.5674 5.5696 5.5918 5.6027 6.2757 6.2787 7.5889 7.5950 7.6638 7.6668 8.0156 8.0170 8.2211 8.2334 8.2790 8.2841 11.4507 11.4707 11.5008 11.5133 k = 0.4483 0.5000-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7782 -6.7777 -6.5798 -6.5798 -6.5554 -6.5547 -6.4039 -6.4038 1.4306 1.4528 1.4930 1.5212 1.5349 1.5766 2.2599 2.2608 2.3274 2.3818 2.4753 2.4923 2.5305 2.5626 2.6112 2.6131 2.7920 2.7960 2.8735 2.8813 3.0893 3.0968 3.1095 3.1274 3.8282 3.8420 3.9458 3.9484 3.9600 3.9683 4.0843 4.0968 4.1627 4.1745 4.2342 4.2509 4.3547 4.3835 4.6505 4.6729 4.7013 4.7262 4.8176 4.8308 4.8678 4.8692 4.9328 4.9442 5.5683 5.5706 5.5869 5.5959 6.2929 6.2950 7.5923 7.5969 7.6589 7.6612 8.0345 8.0354 8.2280 8.2368 8.2805 8.2840 11.4478 11.4626 11.4775 11.4866 k = 0.4655 0.5000-0.0000 ( 6514 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7687 -6.7684 -6.5766 -6.5765 -6.5647 -6.5642 -6.4073 -6.4073 1.4464 1.4630 1.4892 1.5114 1.5308 1.5638 2.2614 2.2616 2.3499 2.3988 2.4722 2.4945 2.5175 2.5410 2.6086 2.6110 2.7956 2.7983 2.8742 2.8796 3.0848 3.0907 3.1049 3.1180 3.8320 3.8415 3.9487 3.9511 3.9589 3.9648 4.0852 4.0943 4.1657 4.1741 4.2389 4.2502 4.3543 4.3742 4.6696 4.6853 4.7014 4.7186 4.8176 4.8240 4.8540 4.8589 4.9382 4.9464 5.5681 5.5696 5.5853 5.5914 6.3055 6.3068 7.5949 7.5980 7.6555 7.6571 8.0490 8.0496 8.2324 8.2379 8.2819 8.2839 11.4459 11.4547 11.4620 11.4670 k = 0.4828 0.5000-0.0000 ( 6514 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7625 -6.7623 -6.5753 -6.5752 -6.5700 -6.5697 -6.4095 -6.4094 1.4625 1.4718 1.4847 1.4955 1.5351 1.5522 2.2616 2.2619 2.3729 2.4037 2.4768 2.4969 2.5084 2.5175 2.6084 2.6098 2.7981 2.7995 2.8753 2.8780 3.0827 3.0859 3.1040 3.1108 3.8353 3.8401 3.9511 3.9530 3.9582 3.9617 4.0869 4.0916 4.1686 4.1729 4.2430 4.2488 4.3563 4.3664 4.6852 4.6932 4.7027 4.7118 4.8154 4.8175 4.8473 4.8515 4.9428 4.9471 5.5676 5.5682 5.5857 5.5886 6.3132 6.3138 7.5968 7.5984 7.6537 7.6545 8.0583 8.0586 8.2350 8.2376 8.2831 8.2839 11.4450 11.4477 11.4543 11.4551 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7603 -6.7603 -6.5755 -6.5755 -6.5710 -6.5710 -6.4102 -6.4102 1.4790 1.4790 1.4790 1.4790 1.5425 1.5425 2.2618 2.2618 2.3927 2.3927 2.4921 2.4921 2.5037 2.5037 2.6090 2.6090 2.7994 2.7994 2.8766 2.8766 3.0832 3.0832 3.1061 3.1061 3.8381 3.8381 3.9529 3.9529 3.9593 3.9593 4.0891 4.0891 4.1711 4.1711 4.2464 4.2464 4.3604 4.3604 4.6940 4.6940 4.7059 4.7059 4.8142 4.8142 4.8473 4.8473 4.9460 4.9460 5.5674 5.5674 5.5869 5.5869 6.3160 6.3160 7.5980 7.5980 7.6534 7.6534 8.0616 8.0616 8.2366 8.2366 8.2838 8.2838 11.4448 11.4448 11.4516 11.4516 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7603 -6.7603 -6.5755 -6.5755 -6.5710 -6.5710 -6.4102 -6.4102 1.4790 1.4790 1.4790 1.4790 1.5425 1.5425 2.2618 2.2618 2.3927 2.3927 2.4921 2.4921 2.5037 2.5037 2.6090 2.6090 2.7994 2.7994 2.8766 2.8766 3.0832 3.0832 3.1061 3.1061 3.8381 3.8381 3.9529 3.9529 3.9593 3.9593 4.0891 4.0891 4.1711 4.1711 4.2464 4.2464 4.3604 4.3604 4.6940 4.6940 4.7059 4.7059 4.8142 4.8142 4.8473 4.8473 4.9460 4.9460 5.5674 5.5674 5.5869 5.5869 6.3160 6.3160 7.5980 7.5980 7.6534 7.6534 8.0616 8.0616 8.2366 8.2366 8.2838 8.2838 11.4448 11.4448 11.4516 11.4516 k = 0.4875 0.4875-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7626 -6.7625 -6.5748 -6.5747 -6.5704 -6.5701 -6.4094 -6.4094 1.4622 1.4722 1.4833 1.4967 1.5348 1.5527 2.2616 2.2619 2.3722 2.4039 2.4764 2.4979 2.5074 2.5185 2.6084 2.6099 2.7981 2.7995 2.8753 2.8781 3.0828 3.0860 3.1038 3.1111 3.8352 3.8402 3.9508 3.9533 3.9579 3.9619 4.0868 4.0917 4.1685 4.1730 4.2429 4.2488 4.3562 4.3666 4.6862 4.6902 4.7052 4.7109 4.8159 4.8171 4.8475 4.8516 4.9427 4.9471 5.5677 5.5682 5.5857 5.5886 6.3131 6.3137 7.5968 7.5984 7.6538 7.6546 8.0581 8.0584 8.2349 8.2376 8.2832 8.2839 11.4428 11.4452 11.4556 11.4590 k = 0.4750 0.4750-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7693 -6.7690 -6.5729 -6.5728 -6.5680 -6.5674 -6.4072 -6.4071 1.4466 1.4638 1.4847 1.5135 1.5305 1.5657 2.2614 2.2616 2.3478 2.3984 2.4724 2.4974 2.5158 2.5429 2.6080 2.6111 2.7957 2.7983 2.8741 2.8798 3.0850 3.0905 3.1044 3.1193 3.8318 3.8416 3.9477 3.9530 3.9576 3.9651 4.0850 4.0946 4.1656 4.1742 4.2386 4.2503 4.3541 4.3748 4.6735 4.6754 4.7100 4.7154 4.8195 4.8211 4.8554 4.8596 4.9379 4.9463 5.5689 5.5697 5.5851 5.5911 6.3050 6.3063 7.5948 7.5980 7.6556 7.6573 8.0485 8.0490 8.2315 8.2375 8.2832 8.2839 11.4324 11.4392 11.4756 11.4844 k = 0.4625 0.4625-0.0000 ( 6498 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7798 -6.7794 -6.5703 -6.5702 -6.5638 -6.5629 -6.4035 -6.4034 1.4318 1.4543 1.4832 1.5167 1.5417 1.5815 2.2599 2.2602 2.3226 2.3806 2.4772 2.4977 2.5283 2.5674 2.6079 2.6126 2.7929 2.7962 2.8732 2.8818 3.0890 3.0961 3.1083 3.1310 3.8278 3.8422 3.9441 3.9524 3.9576 3.9685 4.0837 4.0974 4.1626 4.1746 4.2334 4.2510 4.3541 4.3849 4.6565 4.6576 4.7162 4.7205 4.8182 4.8262 4.8709 4.8711 4.9323 4.9441 5.5712 5.5719 5.5850 5.5942 6.2921 6.2941 7.5921 7.5968 7.6591 7.6615 8.0336 8.0343 8.2244 8.2345 8.2851 8.2851 11.4160 11.4264 11.5114 11.5252 k = 0.4500 0.4500-0.0000 ( 6506 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7935 -6.7930 -6.5672 -6.5669 -6.5581 -6.5570 -6.3986 -6.3985 1.4179 1.4444 1.4792 1.5107 1.5632 1.5998 2.2548 2.2551 2.3011 2.3607 2.4836 2.4988 2.5438 2.5908 2.6080 2.6146 2.7901 2.7938 2.8724 2.8842 3.0934 3.1021 3.1164 3.1458 3.8235 3.8420 3.9403 3.9517 3.9574 3.9717 4.0829 4.0999 4.1597 4.1742 4.2275 4.2508 4.3561 4.3966 4.6359 4.6397 4.7236 4.7270 4.8143 4.8294 4.8826 4.8888 4.9292 4.9421 5.5741 5.5746 5.5856 5.5978 6.2746 6.2774 7.5886 7.5950 7.6639 7.6672 8.0144 8.0153 8.2129 8.2271 8.2884 8.2893 11.3944 11.4079 11.5611 11.5802 k = 0.4375 0.4375-0.0000 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8098 -6.8092 -6.5634 -6.5630 -6.5514 -6.5502 -6.3927 -6.3925 1.4045 1.4340 1.4730 1.5029 1.5873 1.6204 2.2381 2.2444 2.2908 2.3452 2.4897 2.5007 2.5603 2.6085 2.6119 2.6173 2.7882 2.7921 2.8719 2.8869 3.0978 3.1087 3.1287 3.1634 3.8190 3.8411 3.9363 3.9509 3.9571 3.9747 4.0825 4.1017 4.1573 4.1730 4.2210 4.2497 4.3602 4.4097 4.6145 4.6208 4.7322 4.7350 4.8091 4.8305 4.8868 4.9016 4.9350 4.9455 5.5774 5.5777 5.5869 5.6018 6.2532 6.2569 7.5843 7.5924 7.6703 7.6745 7.9920 7.9930 8.1973 8.2154 8.2937 8.2953 11.3678 11.3843 11.6231 11.6479 k = 0.4250 0.4250-0.0000 ( 6524 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8281 -6.8275 -6.5589 -6.5584 -6.5440 -6.5428 -6.3860 -6.3857 1.3914 1.4233 1.4647 1.4936 1.6131 1.6431 2.2117 2.2258 2.2909 2.3375 2.4954 2.5032 2.5760 2.6096 2.6194 2.6314 2.7879 2.7920 2.8716 2.8900 3.1025 3.1157 3.1443 3.1831 3.8145 3.8395 3.9321 3.9502 3.9567 3.9775 4.0825 4.1025 4.1556 4.1711 4.2141 4.2481 4.3663 4.4239 4.5932 4.6017 4.7420 4.7444 4.8029 4.8295 4.8819 4.9026 4.9510 4.9603 5.5810 5.5812 5.5888 5.6057 6.2287 6.2334 7.5795 7.5892 7.6780 7.6831 7.9673 7.9684 8.1784 8.2004 8.3002 8.3023 11.3366 11.3557 11.6955 11.7266 k = 0.4125 0.4125-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8481 -6.8475 -6.5537 -6.5531 -6.5362 -6.5350 -6.3786 -6.3783 1.3784 1.4120 1.4546 1.4828 1.6406 1.6677 2.1814 2.2006 2.2960 2.3372 2.5012 2.5062 2.5895 2.6116 2.6229 2.6467 2.7899 2.7950 2.8717 2.8938 3.1078 3.1233 3.1623 3.2044 3.8100 3.8372 3.9278 3.9495 3.9562 3.9801 4.0829 4.1021 4.1548 4.1685 4.2067 4.2459 4.3743 4.4389 4.5724 4.5826 4.7523 4.7551 4.7957 4.8258 4.8741 4.8957 4.9717 4.9819 5.5849 5.5855 5.5908 5.6089 6.2018 6.2077 7.5740 7.5854 7.6870 7.6931 7.9410 7.9423 8.1571 8.1828 8.3072 8.3096 11.3013 11.3227 11.7756 11.8140 k = 0.4000 0.4000-0.0000 ( 6518 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6863 -31.6863 -31.6860 -31.6860 -6.8693 -6.8687 -6.5478 -6.5470 -6.5281 -6.5269 -6.3709 -6.3705 1.3652 1.4001 1.4427 1.4705 1.6696 1.6939 2.1496 2.1713 2.3042 2.3422 2.5069 2.5096 2.5993 2.6153 2.6268 2.6579 2.7950 2.8018 2.8722 2.8981 3.1137 3.1314 3.1822 3.2268 3.8058 3.8344 3.9231 3.9488 3.9556 3.9825 4.0835 4.1004 4.1548 4.1654 4.1991 4.2432 4.3841 4.4541 4.5526 4.5638 4.7622 4.7661 4.7881 4.8190 4.8676 4.8858 4.9940 5.0057 5.5886 5.5904 5.5930 5.6109 6.1736 6.1808 7.5681 7.5811 7.6972 7.7044 7.9137 7.9151 8.1341 8.1637 8.3142 8.3169 11.2620 11.2854 11.8599 11.9070 k = 0.3875 0.3875-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.8915 -6.8909 -6.5411 -6.5403 -6.5198 -6.5185 -6.3631 -6.3626 1.3515 1.3874 1.4292 1.4567 1.6999 1.7215 2.1173 2.1400 2.3149 2.3510 2.5126 2.5133 2.6053 2.6206 2.6312 2.6652 2.8033 2.8128 2.8732 2.9031 3.1203 3.1399 3.2034 3.2500 3.8018 3.8311 3.9180 3.9482 3.9549 3.9847 4.0845 4.0977 4.1554 4.1619 4.1911 4.2402 4.3954 4.4682 4.5351 4.5454 4.7692 4.7716 4.7857 4.8110 4.8641 4.8749 5.0167 5.0296 5.5892 5.5956 5.5978 5.6115 6.1451 6.1540 7.5618 7.5764 7.7085 7.7169 7.8859 7.8876 8.1102 8.1436 8.3210 8.3239 11.2189 11.2440 11.9422 12.0013 k = 0.3750 0.3750-0.0000 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9144 -6.9139 -6.5338 -6.5329 -6.5112 -6.5099 -6.3552 -6.3547 1.3373 1.3737 1.4141 1.4413 1.7313 1.7502 2.0848 2.1077 2.3280 2.3627 2.5170 2.5181 2.6096 2.6257 2.6360 2.6692 2.8150 2.8276 2.8750 2.9089 3.1275 3.1489 3.2256 3.2738 3.7981 3.8273 3.9125 3.9476 3.9542 3.9867 4.0855 4.0944 4.1565 4.1580 4.1829 4.2368 4.4080 4.4770 4.5239 4.5276 4.7632 4.7672 4.7961 4.8079 4.8636 4.8639 5.0393 5.0532 5.5860 5.5984 5.6053 5.6129 6.1176 6.1282 7.5552 7.5714 7.7206 7.7303 7.8580 7.8603 8.0859 8.1233 8.3272 8.3303 11.1723 11.1987 11.9680 11.9830 k = 0.3625 0.3625-0.0000 ( 6514 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9379 -6.9374 -6.5258 -6.5248 -6.5023 -6.5010 -6.3475 -6.3469 1.3223 1.3587 1.3975 1.4243 1.7637 1.7798 2.0526 2.0755 2.3435 2.3768 2.5206 2.5230 2.6134 2.6302 2.6407 2.6718 2.8294 2.8447 2.8780 2.9158 3.1354 3.1584 3.2484 3.2979 3.7949 3.8232 3.9065 3.9470 3.9535 3.9887 4.0866 4.0906 4.1538 4.1579 4.1743 4.2334 4.4215 4.4732 4.5106 4.5262 4.7506 4.7544 4.8091 4.8119 4.8540 4.8661 5.0616 5.0762 5.5791 5.5936 5.6149 5.6197 6.0921 6.1047 7.5486 7.5662 7.7335 7.7441 7.8303 7.8337 8.0618 8.1034 8.3327 8.3361 11.1220 11.1495 11.9100 11.9196 k = 0.3500 0.3500-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9618 -6.9613 -6.5173 -6.5162 -6.4932 -6.4920 -6.3400 -6.3394 1.3063 1.3425 1.3795 1.4058 1.7966 1.8095 2.0211 2.0441 2.3613 2.3930 2.5239 2.5272 2.6167 2.6347 2.6444 2.6749 2.8459 2.8614 2.8843 2.9240 3.1439 3.1682 3.2717 3.3220 3.7922 3.8187 3.9002 3.9463 3.9527 3.9907 4.0867 4.0877 4.1493 4.1595 4.1654 4.2298 4.4351 4.4600 4.4948 4.5388 4.7359 4.7360 4.8176 4.8210 4.8465 4.8715 5.0838 5.0986 5.5680 5.5823 5.6266 5.6304 6.0696 6.0844 7.5419 7.5608 7.7467 7.7566 7.8032 7.8097 8.0385 8.0845 8.3374 8.3410 11.0682 11.0964 11.8473 11.8567 k = 0.3375 0.3375-0.0000 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9859 -6.9855 -6.5082 -6.5070 -6.4839 -6.4826 -6.3329 -6.3322 1.2893 1.3250 1.3602 1.3858 1.8291 1.8383 1.9912 2.0148 2.3813 2.4111 2.5268 2.5305 2.6188 2.6411 2.6462 2.6803 2.8632 2.8724 2.8987 2.9343 3.1529 3.1783 3.2952 3.3461 3.7899 3.8139 3.8936 3.9455 3.9519 3.9926 4.0829 4.0884 4.1448 4.1559 4.1614 4.2263 4.4441 4.4466 4.4822 4.5546 4.7151 4.7193 4.8222 4.8259 4.8471 4.8794 5.1061 5.1206 5.5523 5.5659 5.6404 5.6436 6.0509 6.0677 7.5355 7.5556 7.7592 7.7599 7.7776 7.7961 8.0165 8.0671 8.3412 8.3451 11.0109 11.0393 11.7855 11.7951 k = 0.3250 0.3250-0.0000 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -7.0101 -7.0097 -6.4986 -6.4974 -6.4743 -6.4731 -6.3262 -6.3255 1.2712 1.3061 1.3397 1.3645 1.8588 1.8630 1.9650 1.9906 2.4032 2.4306 2.5292 2.5328 2.6194 2.6461 2.6501 2.6888 2.8783 2.8802 2.9200 2.9474 3.1625 3.1888 3.3188 3.3699 3.7879 3.8089 3.8868 3.9447 3.9510 3.9947 4.0793 4.0886 4.1405 4.1462 4.1633 4.2229 4.4277 4.4477 4.4807 4.5714 4.6929 4.7012 4.8224 4.8252 4.8568 4.8887 5.1288 5.1425 5.5322 5.5448 5.6562 5.6587 6.0361 6.0549 7.5296 7.5506 7.7441 7.7497 7.7743 7.8022 7.9965 8.0518 8.3440 8.3481 10.9501 10.9784 11.7256 11.7354 k = 0.3125 0.3125-0.0000 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -7.0343 -7.0340 -6.4885 -6.4873 -6.4646 -6.4634 -6.3200 -6.3193 1.2521 1.2860 1.3180 1.3420 1.8762 1.8770 1.9514 1.9789 2.4267 2.4510 2.5309 2.5343 2.6194 2.6449 2.6617 2.6999 2.8831 2.8955 2.9442 2.9641 3.1725 3.1996 3.3422 3.3933 3.7863 3.8035 3.8802 3.9439 3.9500 3.9968 4.0762 4.0878 4.1361 4.1366 4.1655 4.2197 4.4116 4.4369 4.4917 4.5884 4.6699 4.6819 4.8176 4.8271 4.8681 4.8981 5.1527 5.1649 5.5078 5.5196 5.6738 5.6756 6.0253 6.0457 7.5241 7.5459 7.7220 7.7254 7.7856 7.8149 7.9794 8.0394 8.3457 8.3501 10.8857 10.9135 11.6683 11.6780 k = 0.3000 0.3000-0.0000 ( 6534 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6859 -31.6859 -7.0583 -7.0580 -6.4781 -6.4768 -6.4546 -6.4534 -6.3143 -6.3135 1.2320 1.2647 1.2952 1.3183 1.8693 1.8697 1.9645 1.9879 2.4512 2.4714 2.5319 2.5352 2.6197 2.6438 2.6753 2.7131 2.8880 2.9086 2.9699 2.9847 3.1831 3.2107 3.3653 3.4162 3.7847 3.7979 3.8741 3.9431 3.9488 3.9991 4.0735 4.0855 4.1257 4.1338 4.1679 4.2168 4.3960 4.4230 4.5060 4.6052 4.6465 4.6617 4.8134 4.8284 4.8785 4.9067 5.1780 5.1883 5.4800 5.4911 5.6930 5.6939 6.0179 6.0398 7.5193 7.5417 7.6993 7.7018 7.7957 7.8268 7.9666 8.0304 8.3464 8.3510 10.8179 10.8448 11.6140 11.6233 k = 0.2875 0.2875-0.0000 ( 6538 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.0821 -7.0818 -6.4673 -6.4660 -6.4446 -6.4434 -6.3091 -6.3083 1.2111 1.2423 1.2716 1.2937 1.8463 1.8491 1.9935 2.0117 2.4758 2.4904 2.5323 2.5362 2.6215 2.6437 2.6908 2.7281 2.8932 2.9198 2.9966 3.0088 3.1941 3.2220 3.3879 3.4384 3.7830 3.7921 3.8689 3.9423 3.9472 4.0015 4.0713 4.0815 4.1152 4.1324 4.1706 4.2142 4.3811 4.4085 4.5205 4.6191 4.6256 4.6414 4.8102 4.8295 4.8874 4.9139 5.2054 5.2134 5.4495 5.4602 5.7134 5.7134 6.0134 6.0363 7.5154 7.5380 7.6773 7.6793 7.8035 7.8352 7.9599 8.0255 8.3459 8.3508 10.7467 10.7724 11.5630 11.5716 k = 0.2750 0.2750-0.0000 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.1055 -7.1053 -6.4563 -6.4549 -6.4343 -6.4332 -6.3044 -6.3036 1.1894 1.2190 1.2472 1.2684 1.8193 1.8233 2.0268 2.0414 2.4994 2.5056 2.5321 2.5380 2.6264 2.6457 2.7077 2.7444 2.8988 2.9296 3.0243 3.0357 3.2058 3.2337 3.4100 3.4597 3.7807 3.7861 3.8653 3.9415 3.9451 4.0041 4.0695 4.0758 4.1050 4.1324 4.1736 4.2120 4.3670 4.3941 4.5337 4.5984 4.6222 4.6389 4.8082 4.8306 4.8944 4.9193 5.2349 5.2405 5.4172 5.4278 5.7337 5.7346 6.0111 6.0347 7.5123 7.5349 7.6562 7.6578 7.8085 7.8382 7.9607 8.0251 8.3444 8.3495 10.6723 10.6966 11.5152 11.5228 k = 0.2625 0.2625-0.0000 ( 6536 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.1285 -7.1283 -6.4450 -6.4436 -6.4240 -6.4229 -6.3003 -6.2994 1.1670 1.1950 1.2222 1.2423 1.7915 1.7957 2.0614 2.0734 2.5145 2.5200 2.5315 2.5415 2.6359 2.6513 2.7258 2.7618 2.9049 2.9385 3.0527 3.0645 3.2180 3.2457 3.4313 3.4801 3.7774 3.7797 3.8637 3.9406 3.9423 4.0068 4.0678 4.0688 4.0955 4.1336 4.1769 4.2100 4.3537 4.3798 4.5426 4.5748 4.6068 4.6548 4.8072 4.8318 4.8993 4.9230 5.2664 5.2699 5.3839 5.3950 5.7545 5.7563 6.0103 6.0343 7.5100 7.5324 7.6361 7.6375 7.8106 7.8360 7.9688 8.0291 8.3418 8.3471 10.5948 10.6174 11.4709 11.4772 k = 0.2500 0.2500-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.1510 -7.1508 -6.4336 -6.4322 -6.4137 -6.4126 -6.2966 -6.2958 1.1443 1.1706 1.1967 1.2159 1.7637 1.7677 2.0961 2.1060 2.5176 2.5293 2.5370 2.5453 2.6509 2.6621 2.7449 2.7801 2.9116 2.9468 3.0817 3.0950 3.2309 3.2579 3.4517 3.4994 3.7728 3.7732 3.8647 3.9385 3.9395 4.0095 4.0612 4.0655 4.0879 4.1356 4.1805 4.2082 4.3414 4.3658 4.5416 4.5513 4.6013 4.6705 4.8074 4.8333 4.9024 4.9251 5.2985 5.3014 5.3505 5.3636 5.7754 5.7782 6.0104 6.0345 7.5086 7.5305 7.6171 7.6184 7.8105 7.8306 7.9821 8.0370 8.3382 8.3438 10.5144 10.5353 11.4298 11.4347 k = 0.2375 0.2375-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.1728 -7.1727 -6.4221 -6.4207 -6.4034 -6.4023 -6.2934 -6.2926 1.1214 1.1459 1.1709 1.1891 1.7363 1.7400 2.1304 2.1386 2.5178 2.5279 2.5472 2.5472 2.6705 2.6786 2.7649 2.7990 2.9187 2.9547 3.1112 3.1265 3.2445 3.2705 3.4711 3.5174 3.7664 3.7669 3.8683 3.9334 3.9377 4.0119 4.0535 4.0623 4.0834 4.1382 4.1843 4.2067 4.3300 4.3520 4.5282 4.5286 4.6076 4.6858 4.8087 4.8350 4.9039 4.9260 5.3139 5.3139 5.3386 5.3515 5.7962 5.7998 6.0110 6.0349 7.5080 7.5290 7.5994 7.6004 7.8089 7.8242 7.9985 8.0479 8.3337 8.3395 10.4313 10.4505 11.3918 11.3951 k = 0.2250 0.2250-0.0000 ( 6524 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.1940 -7.1939 -6.4106 -6.4092 -6.3932 -6.3921 -6.2906 -6.2898 1.0984 1.1212 1.1449 1.1622 1.7095 1.7127 2.1640 2.1708 2.5167 2.5259 2.5470 2.5525 2.6930 2.6999 2.7854 2.8184 2.9264 2.9622 3.1409 3.1589 3.2591 3.2835 3.4894 3.5340 3.7595 3.7598 3.8744 3.9266 3.9346 4.0138 4.0466 4.0591 4.0819 4.1410 4.1884 4.2053 4.3197 4.3385 4.5054 4.5099 4.6200 4.7007 4.8111 4.8369 4.9039 4.9260 5.2820 5.2886 5.3740 5.3827 5.8165 5.8208 6.0117 6.0352 7.5079 7.5277 7.5827 7.5837 7.8069 7.8183 8.0164 8.0609 8.3285 8.3346 10.3457 10.3632 11.3568 11.3584 k = 0.2125 0.2125-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.2144 -7.2143 -6.3992 -6.3978 -6.3830 -6.3820 -6.2883 -6.2875 1.0756 1.0966 1.1190 1.1353 1.6834 1.6862 2.1967 2.2022 2.5149 2.5236 2.5454 2.5543 2.7169 2.7241 2.8064 2.8379 2.9346 2.9696 3.1707 3.1917 3.2746 3.2968 3.5064 3.5491 3.7517 3.7524 3.8828 3.9180 3.9296 4.0151 4.0407 4.0577 4.0826 4.1438 4.1926 4.2040 4.3106 4.3253 4.4832 4.4892 4.6348 4.7153 4.8146 4.8391 4.9029 4.9255 5.2497 5.2577 5.4125 5.4219 5.8362 5.8410 6.0121 6.0351 7.5081 7.5264 7.5672 7.5681 7.8054 7.8142 8.0346 8.0750 8.3226 8.3290 10.2580 10.2738 11.3245 11.3247 k = 0.2000 0.2000-0.0000 ( 6542 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.2340 -7.2339 -6.3879 -6.3865 -6.3731 -6.3721 -6.2864 -6.2856 1.0531 1.0724 1.0934 1.1087 1.6581 1.6604 2.2281 2.2326 2.5128 2.5210 2.5428 2.5539 2.7411 2.7494 2.8275 2.8574 2.9432 2.9766 3.2001 3.2246 3.2915 3.3107 3.5220 3.5627 3.7430 3.7451 3.8919 3.9087 3.9219 4.0163 4.0363 4.0591 4.0845 4.1463 4.1969 4.2029 4.3027 4.3125 4.4617 4.4680 4.6509 4.7296 4.8190 4.8415 4.9010 4.9249 5.2184 5.2271 5.4528 5.4633 5.8548 5.8601 6.0121 6.0343 7.5083 7.5248 7.5528 7.5536 7.8055 7.8127 8.0525 8.0895 8.3164 8.3230 10.1683 10.1825 11.2933 11.2953 k = 0.1875 0.1875-0.0000 ( 6545 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.2527 -7.2527 -6.3768 -6.3755 -6.3634 -6.3624 -6.2848 -6.2840 1.0311 1.0488 1.0681 1.0825 1.6337 1.6357 2.2583 2.2618 2.5105 2.5183 2.5397 2.5520 2.7649 2.7745 2.8488 2.8767 2.9523 2.9835 3.2289 3.2573 3.3098 3.3250 3.5364 3.5747 3.7338 3.7377 3.8901 3.9102 3.9113 4.0182 4.0335 4.0632 4.0875 4.1483 4.2012 4.2021 4.2960 4.3000 4.4408 4.4468 4.6678 4.7436 4.8244 4.8441 4.8987 4.9247 5.1884 5.1975 5.4946 5.5062 5.8723 5.8779 6.0114 6.0327 7.5081 7.5226 7.5396 7.5403 7.8079 7.8145 8.0695 8.1036 8.3100 8.3167 10.0770 10.0897 11.2647 11.2684 k = 0.1750 0.1750-0.0000 ( 6545 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6859 -31.6859 -7.2705 -7.2704 -6.3661 -6.3648 -6.3539 -6.3530 -6.2835 -6.2828 1.0098 1.0259 1.0434 1.0569 1.6103 1.6119 2.2870 2.2897 2.5083 2.5156 2.5365 2.5493 2.7879 2.7986 2.8699 2.8956 2.9617 2.9901 3.2567 3.2893 3.3296 3.3401 3.5495 3.5851 3.7244 3.7303 3.8765 3.8980 3.9232 4.0212 4.0323 4.0693 4.0913 4.1495 4.2018 4.2055 4.2879 4.2906 4.4207 4.4260 4.6854 4.7571 4.8305 4.8469 4.8962 4.9250 5.1598 5.1692 5.5374 5.5498 5.8886 5.8941 6.0102 6.0303 7.5071 7.5196 7.5275 7.5282 7.8135 7.8201 8.0853 8.1168 8.3037 8.3105 9.9844 9.9957 11.2386 11.2441 k = 0.1625 0.1625-0.0000 ( 6561 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.2873 -7.2872 -6.3556 -6.3544 -6.3448 -6.3440 -6.2825 -6.2818 0.9894 1.0039 1.0195 1.0320 1.5880 1.5893 2.3140 2.3161 2.5061 2.5129 2.5331 2.5462 2.8095 2.8210 2.8907 2.9140 2.9716 2.9965 3.2834 3.3201 3.3509 3.3560 3.5612 3.5940 3.7149 3.7228 3.8603 3.8825 3.9385 4.0251 4.0325 4.0770 4.0958 4.1497 4.2020 4.2095 4.2762 4.2862 4.4013 4.4058 4.7036 4.7701 4.8374 4.8498 4.8937 4.9262 5.1327 5.1423 5.5807 5.5936 5.9033 5.9087 6.0082 6.0270 7.5051 7.5152 7.5167 7.5172 7.8228 7.8299 8.0997 8.1288 8.2977 8.3044 9.8907 9.9007 11.2149 11.2221 k = 0.1500 0.1500-0.0000 ( 6555 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3030 -7.3030 -6.3456 -6.3445 -6.3361 -6.3353 -6.2818 -6.2811 0.9699 0.9829 0.9966 1.0081 1.5669 1.5679 2.3393 2.3409 2.5040 2.5103 2.5299 2.5429 2.8298 2.8414 2.9110 2.9318 2.9816 3.0026 3.3089 3.3490 3.3734 3.3735 3.5717 3.6015 3.7055 3.7152 3.8426 3.8652 3.9550 4.0298 4.0341 4.0857 4.1011 4.1489 4.2030 4.2132 4.2650 4.2829 4.3828 4.3863 4.7223 4.7823 4.8449 4.8531 4.8916 4.9284 5.1074 5.1171 5.6241 5.6374 5.9164 5.9216 6.0056 6.0229 7.5016 7.5061 7.5077 7.5108 7.8360 7.8438 8.1124 8.1393 8.2923 8.2988 9.7965 9.8052 11.1937 11.2023 k = 0.1375 0.1375-0.0000 ( 6549 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3177 -7.3176 -6.3361 -6.3351 -6.3279 -6.3271 -6.2812 -6.2806 0.9515 0.9632 0.9748 0.9854 1.5471 1.5479 2.3626 2.3638 2.5021 2.5078 2.5268 2.5395 2.8484 2.8595 2.9305 2.9489 2.9916 3.0086 3.3336 3.3744 3.3932 3.3969 3.5811 3.6078 3.6961 3.7077 3.8240 3.8465 3.9720 4.0351 4.0367 4.0949 4.1071 4.1471 4.2047 4.2163 4.2544 4.2804 4.3651 4.3677 4.7410 4.7931 4.8528 4.8571 4.8901 4.9316 5.0839 5.0937 5.6673 5.6806 5.9280 5.9325 6.0024 6.0181 7.4958 7.4971 7.5005 7.5050 7.8533 7.8618 8.1234 8.1481 8.2875 8.2937 9.7021 9.7097 11.1749 11.1847 k = 0.1250 0.1250-0.0000 ( 6551 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3312 -7.3311 -6.3272 -6.3263 -6.3202 -6.3194 -6.2808 -6.2802 0.9344 0.9447 0.9543 0.9639 1.5286 1.5292 2.3840 2.3848 2.5005 2.5057 2.5240 2.5362 2.8653 2.8753 2.9491 2.9652 3.0014 3.0142 3.3577 3.3958 3.4160 3.4203 3.5893 3.6129 3.6869 3.7002 3.8046 3.8269 3.9891 4.0405 4.0405 4.1039 4.1143 4.1446 4.2068 4.2186 4.2445 4.2785 4.3482 4.3501 4.7592 4.8022 4.8610 4.8621 4.8897 4.9358 5.0624 5.0721 5.7096 5.7227 5.9377 5.9415 5.9988 6.0126 7.4885 7.4890 7.4948 7.4986 7.8746 7.8835 8.1331 8.1554 8.2835 8.2892 9.6080 9.6146 11.1584 11.1692 k = 0.1125 0.1125-0.0000 ( 6543 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6858 -7.3435 -7.3435 -6.3189 -6.3181 -6.3130 -6.3123 -6.2806 -6.2800 0.9186 0.9277 0.9352 0.9440 1.5116 1.5121 2.4030 2.4037 2.4992 2.5040 2.5214 2.5329 2.8804 2.8888 2.9665 2.9805 3.0107 3.0197 3.3815 3.4150 3.4398 3.4434 3.5965 3.6170 3.6780 3.6926 3.7847 3.8065 4.0060 4.0452 4.0460 4.1121 4.1228 4.1417 4.2093 4.2198 4.2357 4.2771 4.3323 4.3338 4.7762 4.8091 4.8683 4.8692 4.8911 4.9410 5.0430 5.0526 5.7505 5.7632 5.9458 5.9485 5.9950 6.0066 7.4815 7.4818 7.4891 7.4919 7.8992 7.9083 8.1418 8.1616 8.2804 8.2854 9.5149 9.5205 11.1442 11.1557 k = 0.1000 0.1000-0.0000 ( 6547 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3546 -7.3546 -6.3114 -6.3106 -6.3064 -6.3058 -6.2804 -6.2799 0.9042 0.9121 0.9178 0.9256 1.4962 1.4965 2.4197 2.4203 2.4984 2.5028 2.5191 2.5297 2.8936 2.9003 2.9826 2.9948 3.0193 3.0249 3.4054 3.4336 3.4626 3.4656 3.6027 3.6201 3.6692 3.6849 3.7645 3.7854 4.0221 4.0510 4.0514 4.1193 4.1320 4.1386 4.2118 4.2188 4.2285 4.2757 4.3173 4.3192 4.7909 4.8138 4.8753 4.8770 4.8951 4.9468 5.0259 5.0353 5.7896 5.8015 5.9523 5.9536 5.9912 6.0004 7.4753 7.4755 7.4831 7.4851 7.9264 7.9353 8.1503 8.1674 8.2779 8.2821 9.4236 9.4281 11.1321 11.1440 k = 0.0875 0.0875-0.0000 ( 6555 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3645 -7.3645 -6.3046 -6.3039 -6.3005 -6.2999 -6.2803 -6.2799 0.8914 0.8982 0.9021 0.9089 1.4823 1.4825 2.4338 2.4343 2.4985 2.5024 2.5172 2.5268 2.9051 2.9100 2.9973 3.0077 3.0270 3.0298 3.4293 3.4522 3.4839 3.4866 3.6077 3.6226 3.6608 3.6772 3.7442 3.7639 4.0368 4.0566 4.0581 4.1260 4.1357 4.1411 4.2141 4.2149 4.2237 4.2739 4.3036 4.3065 4.8023 4.8166 4.8824 4.8838 4.9025 4.9533 5.0112 5.0203 5.8260 5.8369 5.9569 5.9573 5.9876 5.9942 7.4699 7.4701 7.4771 7.4785 7.9548 7.9630 8.1597 8.1739 8.2759 8.2794 9.3349 9.3385 11.1223 11.1341 k = 0.0750 0.0750-0.0000 ( 6547 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6858 -31.6858 -7.3731 -7.3731 -6.2986 -6.2981 -6.2952 -6.2947 -6.2803 -6.2799 0.8802 0.8859 0.8884 0.8942 1.4702 1.4703 2.4451 2.4455 2.4995 2.5030 2.5157 2.5241 2.9148 2.9182 3.0103 3.0192 3.0337 3.0344 3.4534 3.4710 3.5033 3.5063 3.6117 3.6243 3.6528 3.6695 3.7239 3.7421 4.0492 4.0614 4.0670 4.1320 4.1333 4.1494 4.2098 4.2162 4.2199 4.2708 4.2921 4.2962 4.8101 4.8182 4.8889 4.8895 4.9132 4.9600 4.9991 5.0078 5.8593 5.8690 5.9584 5.9608 5.9847 5.9884 7.4653 7.4654 7.4714 7.4723 7.9828 7.9897 8.1715 8.1824 8.2743 8.2771 9.2500 9.2527 11.1144 11.1247 k = 0.0625 0.0625-0.0000 ( 6551 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3805 -7.3805 -6.2935 -6.2931 -6.2907 -6.2901 -6.2803 -6.2799 0.8707 0.8754 0.8766 0.8814 1.4598 1.4599 2.4535 2.4538 2.5016 2.5045 2.5145 2.5217 2.9228 2.9248 3.0217 3.0290 3.0385 3.0393 3.4774 3.4900 3.5209 3.5244 3.6143 3.6253 3.6453 3.6618 3.7039 3.7200 4.0586 4.0658 4.0780 4.1315 4.1371 4.1561 4.2054 4.2157 4.2178 4.2646 4.2845 4.2886 4.8147 4.8188 4.8942 4.8942 4.9259 4.9665 4.9896 4.9978 5.8888 5.8970 5.9586 5.9630 5.9825 5.9834 7.4614 7.4615 7.4662 7.4667 8.0081 8.0131 8.1868 8.1943 8.2730 8.2751 9.1705 9.1723 11.1083 11.1148 k = 0.0500 0.0500-0.0000 ( 6549 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3865 -7.3865 -6.2893 -6.2891 -6.2868 -6.2864 -6.2803 -6.2800 0.8629 0.8666 0.8669 0.8708 1.4512 1.4512 2.4592 2.4594 2.5047 2.5070 2.5138 2.5196 2.9291 2.9302 3.0312 3.0370 3.0422 3.0438 3.5014 3.5092 3.5366 3.5409 3.6152 3.6253 3.6385 3.6543 3.6846 3.6979 4.0658 4.0697 4.0901 4.1307 4.1407 4.1601 4.2024 4.2119 4.2188 4.2551 4.2808 4.2834 4.8170 4.8188 4.8977 4.8979 4.9392 4.9723 4.9829 4.9902 5.9137 5.9202 5.9580 5.9636 5.9799 5.9810 7.4583 7.4584 7.4616 7.4619 8.0287 8.0316 8.2063 8.2106 8.2718 8.2734 9.0981 9.0993 11.1038 11.1097 k = 0.0375 0.0375-0.0000 ( 6565 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3912 -7.3912 -6.2862 -6.2861 -6.2837 -6.2834 -6.2802 -6.2799 0.8569 0.8594 0.8596 0.8623 1.4445 1.4445 2.4627 2.4628 2.5080 2.5097 2.5133 2.5177 2.9338 2.9343 3.0389 3.0432 3.0453 3.0471 3.5251 3.5283 3.5503 3.5555 3.6139 3.6239 3.6321 3.6473 3.6670 3.6762 4.0711 4.0729 4.1024 4.1309 4.1424 4.1602 4.2013 4.2102 4.2191 4.2445 4.2789 4.2801 4.8179 4.8186 4.9000 4.9002 4.9517 4.9767 4.9786 4.9847 5.9333 5.9378 5.9571 5.9625 5.9789 5.9805 7.4559 7.4560 7.4579 7.4580 8.0434 8.0447 8.2282 8.2301 8.2709 8.2719 9.0357 9.0363 11.1010 11.1044 k = 0.0250 0.0250-0.0000 ( 6573 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3946 -7.3946 -6.2841 -6.2841 -6.2815 -6.2812 -6.2800 -6.2798 0.8527 0.8541 0.8545 0.8560 1.4396 1.4396 2.4647 2.4647 2.5109 2.5121 2.5132 2.5162 2.9371 2.9373 3.0447 3.0475 3.0478 3.0492 3.5472 3.5480 3.5621 3.5678 3.6109 3.6205 3.6243 3.6396 3.6536 3.6570 4.0748 4.0754 4.1145 4.1323 4.1421 4.1557 4.2032 4.2110 4.2186 4.2341 4.2778 4.2782 4.8181 4.8183 4.9013 4.9014 4.9625 4.9765 4.9792 4.9809 5.9470 5.9494 5.9564 5.9605 5.9800 5.9809 7.4542 7.4543 7.4551 7.4552 8.0526 8.0530 8.2491 8.2496 8.2702 8.2708 8.9865 8.9868 11.0989 11.1024 k = 0.0125 0.0125-0.0000 ( 6615 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3966 -7.3966 -6.2830 -6.2830 -6.2801 -6.2799 -6.2797 -6.2796 0.8504 0.8510 0.8513 0.8519 1.4367 1.4367 2.4657 2.4657 2.5130 2.5135 2.5136 2.5149 2.9390 2.9390 3.0484 3.0494 3.0497 3.0503 3.5647 3.5683 3.5714 3.5758 3.6082 3.6140 3.6153 3.6257 3.6468 3.6470 4.0768 4.0769 4.1262 4.1345 4.1401 4.1476 4.2080 4.2130 4.2173 4.2241 4.2771 4.2772 4.8180 4.8180 4.9019 4.9019 4.9709 4.9759 4.9781 4.9793 5.9545 5.9553 5.9562 5.9584 5.9819 5.9821 7.4532 7.4532 7.4534 7.4535 8.0575 8.0575 8.2642 8.2642 8.2698 8.2701 8.9546 8.9547 11.0983 11.1004 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3973 -7.3973 -6.2827 -6.2827 -6.2795 -6.2795 -6.2795 -6.2795 0.8501 0.8501 0.8501 0.8501 1.4357 1.4357 2.4660 2.4660 2.5140 2.5140 2.5140 2.5140 2.9396 2.9396 3.0502 3.0502 3.0502 3.0502 3.5766 3.5766 3.5766 3.5766 3.6107 3.6107 3.6107 3.6107 3.6450 3.6450 4.0775 4.0775 4.1374 4.1374 4.1374 4.1374 4.2153 4.2153 4.2153 4.2153 4.2769 4.2769 4.8180 4.8180 4.9020 4.9020 4.9765 4.9765 4.9765 4.9765 5.9569 5.9569 5.9569 5.9569 5.9828 5.9828 7.4529 7.4529 7.4529 7.4529 8.0589 8.0589 8.2697 8.2697 8.2697 8.2697 8.9435 8.9435 11.0977 11.1002 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3973 -7.3973 -6.2827 -6.2827 -6.2795 -6.2795 -6.2795 -6.2795 0.8501 0.8501 0.8501 0.8501 1.4357 1.4357 2.4660 2.4660 2.5140 2.5140 2.5140 2.5140 2.9396 2.9396 3.0502 3.0502 3.0502 3.0502 3.5766 3.5766 3.5766 3.5766 3.6107 3.6107 3.6107 3.6107 3.6450 3.6450 4.0775 4.0775 4.1374 4.1374 4.1374 4.1374 4.2153 4.2153 4.2153 4.2153 4.2769 4.2769 4.8180 4.8180 4.9020 4.9020 4.9765 4.9765 4.9765 4.9765 5.9569 5.9569 5.9569 5.9569 5.9828 5.9828 7.4529 7.4529 7.4529 7.4529 8.0589 8.0589 8.2697 8.2697 8.2697 8.2697 8.9435 8.9435 11.0977 11.1023 k = 0.0102 0.0102 0.0102 ( 6616 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3966 -7.3966 -6.2830 -6.2830 -6.2800 -6.2798 -6.2798 -6.2797 0.8504 0.8512 0.8512 0.8519 1.4366 1.4366 2.4657 2.4657 2.5133 2.5134 2.5134 2.5150 2.9390 2.9390 3.0484 3.0496 3.0496 3.0502 3.5657 3.5711 3.5711 3.5715 3.6116 3.6131 3.6131 3.6263 3.6468 3.6468 4.0769 4.0769 4.1258 4.1374 4.1374 4.1479 4.2079 4.2150 4.2150 4.2245 4.2771 4.2771 4.8180 4.8180 4.9019 4.9019 4.9706 4.9772 4.9772 4.9793 5.9548 5.9548 5.9562 5.9585 5.9820 5.9820 7.4533 7.4533 7.4533 7.4534 8.0575 8.0575 8.2641 8.2641 8.2699 8.2702 8.9547 8.9547 11.0986 11.1006 k = 0.0204 0.0204 0.0204 ( 6574 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3946 -7.3946 -6.2839 -6.2839 -6.2810 -6.2806 -6.2806 -6.2806 0.8528 0.8543 0.8543 0.8559 1.4396 1.4396 2.4647 2.4647 2.5117 2.5117 2.5129 2.5162 2.9372 2.9372 3.0448 3.0479 3.0479 3.0484 3.5511 3.5541 3.5589 3.5589 3.6152 3.6152 3.6254 3.6461 3.6531 3.6531 4.0751 4.0751 4.1137 4.1373 4.1373 4.1558 4.2037 4.2143 4.2143 4.2347 4.2780 4.2780 4.8182 4.8182 4.9013 4.9013 4.9616 4.9789 4.9793 4.9793 5.9476 5.9476 5.9565 5.9612 5.9806 5.9806 7.4547 7.4547 7.4547 7.4548 8.0527 8.0527 8.2490 8.2490 8.2706 8.2713 8.9866 8.9866 11.1020 11.1026 k = 0.0306 0.0306 0.0306 ( 6565 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3912 -7.3912 -6.2854 -6.2854 -6.2827 -6.2821 -6.2820 -6.2820 0.8573 0.8594 0.8594 0.8619 1.4444 1.4444 2.4628 2.4628 2.5091 2.5091 2.5128 2.5177 2.9341 2.9341 3.0394 3.0448 3.0451 3.0451 3.5341 3.5359 3.5439 3.5439 3.6127 3.6127 3.6422 3.6637 3.6637 3.6667 4.0721 4.0721 4.1014 4.1370 4.1370 4.1588 4.2050 4.2131 4.2131 4.2457 4.2793 4.2793 4.8182 4.8182 4.9000 4.9000 4.9496 4.9756 4.9836 4.9836 5.9339 5.9339 5.9577 5.9646 5.9799 5.9799 7.4570 7.4570 7.4570 7.4572 8.0437 8.0437 8.2287 8.2287 8.2719 8.2730 9.0356 9.0356 11.1077 11.1088 k = 0.0408 0.0408 0.0408 ( 6550 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3865 -7.3865 -6.2875 -6.2875 -6.2850 -6.2842 -6.2838 -6.2838 0.8638 0.8666 0.8666 0.8700 1.4512 1.4512 2.4595 2.4595 2.5061 2.5061 2.5129 2.5195 2.9298 2.9298 3.0323 3.0392 3.0411 3.0411 3.5137 3.5209 3.5278 3.5278 3.6063 3.6063 3.6600 3.6768 3.6768 3.6876 4.0680 4.0680 4.0889 4.1364 4.1364 4.1565 4.2115 4.2115 4.2121 4.2574 4.2814 4.2814 4.8177 4.8177 4.8976 4.8976 4.9351 4.9696 4.9907 4.9907 5.9136 5.9136 5.9595 5.9687 5.9803 5.9803 7.4601 7.4601 7.4602 7.4604 8.0291 8.0291 8.2083 8.2083 8.2738 8.2751 9.0977 9.0977 11.1156 11.1157 k = 0.0510 0.0510 0.0510 ( 6550 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3805 -7.3805 -6.2902 -6.2902 -6.2880 -6.2870 -6.2861 -6.2861 0.8722 0.8757 0.8757 0.8801 1.4597 1.4597 2.4541 2.4541 2.5034 2.5034 2.5134 2.5214 2.9242 2.9242 3.0234 3.0317 3.0361 3.0361 3.4934 3.5062 3.5111 3.5111 3.5967 3.5967 3.6783 3.6910 3.6910 3.7084 4.0629 4.0629 4.0764 4.1352 4.1352 4.1509 4.2095 4.2095 4.2230 4.2697 4.2843 4.2843 4.8164 4.8164 4.8944 4.8944 4.9184 4.9613 5.0011 5.0011 5.8872 5.8872 5.9617 5.9732 5.9813 5.9813 7.4641 7.4641 7.4643 7.4647 8.0081 8.0081 8.1917 8.1917 8.2760 8.2775 9.1693 9.1693 11.1245 11.1259 k = 0.0612 0.0612 0.0612 ( 6550 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6858 -31.6858 -31.6858 -31.6858 -7.3731 -7.3731 -6.2936 -6.2936 -6.2915 -6.2903 -6.2889 -6.2889 0.8826 0.8867 0.8867 0.8921 1.4701 1.4701 2.4461 2.4461 2.5015 2.5015 2.5141 2.5236 2.9174 2.9174 3.0128 3.0223 3.0300 3.0300 3.4734 3.4919 3.4940 3.4940 3.5842 3.5842 3.6970 3.7056 3.7056 3.7291 4.0569 4.0569 4.0638 4.1333 4.1333 4.1439 4.2074 4.2074 4.2357 4.2824 4.2882 4.2882 4.8138 4.8138 4.8907 4.8907 4.9000 4.9513 5.0150 5.0150 5.8555 5.8555 5.9642 5.9779 5.9826 5.9826 7.4691 7.4691 7.4693 7.4699 7.9813 7.9813 8.1803 8.1803 8.2785 8.2802 9.2474 9.2474 11.1354 11.1383 k = 0.0714 0.0714 0.0714 ( 6541 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3645 -7.3645 -6.2975 -6.2975 -6.2956 -6.2942 -6.2921 -6.2921 0.8947 0.8995 0.8995 0.9060 1.4821 1.4821 2.4353 2.4353 2.5007 2.5007 2.5151 2.5260 2.9092 2.9092 3.0005 3.0109 3.0229 3.0229 3.4539 3.4766 3.4766 3.4780 3.5693 3.5693 3.7160 3.7202 3.7202 3.7496 4.0501 4.0501 4.0513 4.1307 4.1307 4.1364 4.2052 4.2052 4.2496 4.2933 4.2933 4.2957 4.8097 4.8097 4.8805 4.8872 4.8872 4.9399 5.0324 5.0324 5.8190 5.8190 5.9667 5.9825 5.9838 5.9838 7.4749 7.4749 7.4752 7.4760 7.9509 7.9509 8.1737 8.1737 8.2811 8.2831 9.3298 9.3298 11.1477 11.1526 k = 0.0816 0.0816 0.0816 ( 6547 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3546 -7.3546 -6.3020 -6.3020 -6.3003 -6.2987 -6.2958 -6.2958 0.9086 0.9139 0.9139 0.9216 1.4958 1.4958 2.4217 2.4217 2.5009 2.5009 2.5164 2.5285 2.8998 2.8998 2.9866 2.9975 3.0149 3.0149 3.4350 3.4589 3.4589 3.4646 3.5519 3.5519 3.7348 3.7348 3.7352 3.7699 4.0387 4.0426 4.0426 4.1274 4.1274 4.1286 4.2029 4.2029 4.2641 4.2996 4.2996 4.3094 4.8041 4.8041 4.8605 4.8844 4.8844 4.9276 5.0531 5.0531 5.7783 5.7783 5.9690 5.9849 5.9849 5.9868 7.4817 7.4817 7.4821 7.4832 7.9190 7.9190 8.1706 8.1706 8.2839 8.2859 9.4146 9.4146 11.1615 11.1682 k = 0.0918 0.0918 0.0918 ( 6559 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3435 -7.3435 -6.3070 -6.3070 -6.3055 -6.3037 -6.2998 -6.2998 0.9240 0.9299 0.9299 0.9389 1.5109 1.5109 2.4055 2.4055 2.5019 2.5019 2.5180 2.5311 2.8890 2.8890 2.9712 2.9822 3.0061 3.0061 3.4168 3.4410 3.4410 3.4515 3.5323 3.5323 3.7492 3.7492 3.7544 3.7898 4.0263 4.0346 4.0346 4.1207 4.1233 4.1233 4.2006 4.2006 4.2790 4.3071 4.3071 4.3235 4.7970 4.7970 4.8404 4.8824 4.8824 4.9150 5.0768 5.0768 5.7339 5.7339 5.9709 5.9855 5.9855 5.9907 7.4893 7.4893 7.4899 7.4913 7.8873 7.8873 8.1698 8.1698 8.2866 8.2886 9.5002 9.5002 11.1768 11.1848 k = 0.1020 0.1020 0.1020 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3311 -7.3311 -6.3126 -6.3126 -6.3111 -6.3092 -6.3042 -6.3042 0.9408 0.9473 0.9473 0.9576 1.5275 1.5275 2.3869 2.3869 2.5036 2.5036 2.5198 2.5338 2.8769 2.8769 2.9544 2.9652 2.9966 2.9966 3.3994 3.4228 3.4228 3.4389 3.5107 3.5107 3.7633 3.7633 3.7737 3.8094 4.0141 4.0262 4.0262 4.1129 4.1188 4.1188 4.1982 4.1982 4.2944 4.3160 4.3160 4.3381 4.7893 4.7893 4.8208 4.8813 4.8813 4.9025 5.1033 5.1033 5.6865 5.6865 5.9722 5.9856 5.9856 5.9940 7.4978 7.4978 7.4985 7.5003 7.8571 7.8571 8.1705 8.1705 8.2892 8.2912 9.5853 9.5853 11.1939 11.2023 k = 0.1122 0.1122 0.1122 ( 6538 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3176 -7.3176 -6.3186 -6.3186 -6.3173 -6.3152 -6.3090 -6.3090 0.9588 0.9660 0.9660 0.9777 1.5452 1.5452 2.3661 2.3661 2.5057 2.5057 2.5218 2.5364 2.8636 2.8636 2.9364 2.9464 2.9865 2.9865 3.3830 3.4041 3.4041 3.4266 3.4877 3.4877 3.7770 3.7770 3.7928 3.8284 4.0022 4.0175 4.0175 4.1054 4.1140 4.1140 4.1959 4.1959 4.3101 4.3261 4.3261 4.3531 4.7812 4.7812 4.8022 4.8808 4.8808 4.8904 5.1324 5.1324 5.6364 5.6364 5.9729 5.9851 5.9851 5.9965 7.5072 7.5072 7.5081 7.5104 7.8292 7.8292 8.1722 8.1722 8.2915 8.2935 9.6686 9.6686 11.2115 11.2227 k = 0.1224 0.1224 0.1224 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.3029 -7.3029 -6.3251 -6.3251 -6.3239 -6.3216 -6.3141 -6.3141 0.9779 0.9857 0.9857 0.9989 1.5640 1.5640 2.3432 2.3432 2.5083 2.5083 2.5241 2.5391 2.8491 2.8491 2.9173 2.9262 2.9759 2.9759 3.3674 3.3843 3.3843 3.4147 3.4637 3.4637 3.7901 3.7901 3.8117 3.8469 3.9907 4.0086 4.0086 4.0980 4.1090 4.1090 4.1935 4.1935 4.3259 4.3374 4.3374 4.3684 4.7734 4.7734 4.7850 4.8792 4.8807 4.8807 5.1638 5.1638 5.5842 5.5842 5.9729 5.9839 5.9839 5.9981 7.5174 7.5174 7.5185 7.5214 7.8042 7.8042 8.1745 8.1745 8.2937 8.2955 9.7488 9.7488 11.2306 11.2399 k = 0.1327 0.1327 0.1327 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5119 -32.5119 -31.6859 -31.6859 -31.6859 -31.6859 -7.2872 -7.2872 -6.3320 -6.3320 -6.3308 -6.3285 -6.3195 -6.3195 0.9979 1.0062 1.0062 1.0210 1.5837 1.5837 2.3184 2.3184 2.5112 2.5112 2.5265 2.5415 2.8335 2.8335 2.8974 2.9049 2.9648 2.9648 3.3526 3.3629 3.3629 3.4030 3.4398 3.4398 3.8026 3.8026 3.8300 3.8645 3.9799 3.9996 3.9996 4.0911 4.1042 4.1042 4.1911 4.1911 4.3419 4.3499 4.3499 4.3841 4.7663 4.7663 4.7696 4.8690 4.8806 4.8806 5.1974 5.1974 5.5306 5.5306 5.9721 5.9820 5.9820 5.9989 7.5284 7.5284 7.5298 7.5333 7.7822 7.7822 8.1772 8.1772 8.2956 8.2972 9.8251 9.8251 11.2509 11.2600 k = 0.1429 0.1429 0.1429 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6859 -31.6859 -31.6859 -31.6859 -7.2703 -7.2703 -6.3392 -6.3392 -6.3382 -6.3357 -6.3253 -6.3253 1.0185 1.0274 1.0274 1.0440 1.6040 1.6040 2.2918 2.2918 2.5143 2.5143 2.5290 2.5436 2.8171 2.8171 2.8769 2.8828 2.9536 2.9536 3.3388 3.3393 3.3393 3.3915 3.4168 3.4168 3.8144 3.8144 3.8475 3.8812 3.9699 3.9906 3.9906 4.0848 4.0997 4.0997 4.1887 4.1887 4.3580 4.3634 4.3634 4.4002 4.7562 4.7603 4.7603 4.8603 4.8804 4.8804 5.2330 5.2330 5.4760 5.4760 5.9706 5.9794 5.9794 5.9988 7.5401 7.5401 7.5419 7.5461 7.7636 7.7636 8.1801 8.1801 8.2972 8.2986 9.8964 9.8964 11.2723 11.2813 k = 0.1531 0.1531 0.1531 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6859 -31.6859 -31.6859 -31.6859 -7.2525 -7.2525 -6.3468 -6.3468 -6.3459 -6.3433 -6.3313 -6.3313 1.0396 1.0490 1.0490 1.0674 1.6247 1.6247 2.2636 2.2636 2.5174 2.5174 2.5316 2.5453 2.8000 2.8000 2.8561 2.8603 2.9421 2.9421 3.3129 3.3129 3.3257 3.3803 3.3958 3.3958 3.8253 3.8253 3.8637 3.8968 3.9614 3.9817 3.9817 4.0793 4.0956 4.0956 4.1863 4.1863 4.3741 4.3779 4.3779 4.4165 4.7452 4.7556 4.7556 4.8530 4.8798 4.8798 5.2704 5.2704 5.4209 5.4209 5.9684 5.9763 5.9763 5.9979 7.5526 7.5526 7.5547 7.5597 7.7485 7.7485 8.1832 8.1832 8.2987 8.2997 9.9622 9.9622 11.2947 11.3031 k = 0.1633 0.1633 0.1633 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6859 -31.6859 -31.6859 -31.6859 -7.2337 -7.2337 -6.3547 -6.3547 -6.3538 -6.3511 -6.3375 -6.3375 1.0608 1.0708 1.0708 1.0911 1.6454 1.6454 2.2339 2.2339 2.5207 2.5207 2.5342 2.5464 2.7826 2.7826 2.8352 2.8380 2.9305 2.9305 3.2838 3.2838 3.3134 3.3692 3.3769 3.3769 3.8352 3.8352 3.8776 3.9110 3.9553 3.9731 3.9731 4.0748 4.0921 4.0921 4.1841 4.1841 4.3902 4.3933 4.3933 4.4330 4.7367 4.7523 4.7523 4.8474 4.8788 4.8788 5.3094 5.3094 5.3659 5.3659 5.9656 5.9726 5.9726 5.9962 7.5658 7.5658 7.5683 7.5742 7.7370 7.7370 8.1864 8.1864 8.3000 8.3006 10.0218 10.0218 11.3180 11.3258 k = 0.1735 0.1735 0.1735 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6860 -31.6860 -7.2140 -7.2140 -6.3629 -6.3629 -6.3620 -6.3592 -6.3439 -6.3439 1.0819 1.0924 1.0924 1.1147 1.6657 1.6657 2.2031 2.2031 2.5238 2.5238 2.5369 2.5467 2.7651 2.7651 2.8147 2.8163 2.9189 2.9189 3.2524 3.2524 3.3017 3.3582 3.3600 3.3600 3.8439 3.8439 3.8877 3.9236 3.9531 3.9650 3.9650 4.0715 4.0891 4.0891 4.1819 4.1819 4.4060 4.4094 4.4094 4.4498 4.7309 4.7504 4.7504 4.8435 4.8769 4.8769 5.3106 5.3106 5.3508 5.3508 5.9623 5.9686 5.9686 5.9940 7.5795 7.5795 7.5825 7.5894 7.7290 7.7290 8.1899 8.1899 8.3012 8.3014 10.0752 10.0752 11.3420 11.3492 k = 0.1837 0.1837 0.1837 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6860 -31.6860 -7.1935 -7.1935 -6.3713 -6.3713 -6.3704 -6.3676 -6.3506 -6.3506 1.1027 1.1136 1.1136 1.1381 1.6852 1.6852 2.1713 2.1713 2.5268 2.5268 2.5394 2.5460 2.7481 2.7481 2.7950 2.7960 2.9073 2.9073 3.2196 3.2196 3.2906 3.3448 3.3448 3.3473 3.8513 3.8513 3.8926 3.9344 3.9562 3.9577 3.9577 4.0698 4.0867 4.0867 4.1797 4.1797 4.4215 4.4262 4.4262 4.4666 4.7278 4.7501 4.7501 4.8415 4.8740 4.8740 5.2573 5.2573 5.3925 5.3925 5.9587 5.9643 5.9643 5.9913 7.5937 7.5937 7.5973 7.6053 7.7245 7.7245 8.1935 8.1935 8.3022 8.3024 10.1222 10.1222 11.3664 11.3725 k = 0.1939 0.1939 0.1939 ( 6532 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6860 -31.6860 -7.1722 -7.1722 -6.3798 -6.3798 -6.3790 -6.3761 -6.3574 -6.3574 1.1228 1.1342 1.1342 1.1608 1.7034 1.7034 2.1390 2.1390 2.5296 2.5296 2.5417 2.5440 2.7319 2.7319 2.7763 2.7776 2.8957 2.8957 3.1861 3.1861 3.2800 3.3308 3.3308 3.3365 3.8572 3.8572 3.8926 3.9433 3.9513 3.9513 3.9641 4.0696 4.0848 4.0848 4.1777 4.1777 4.4366 4.4434 4.4434 4.4834 4.7274 4.7513 4.7513 4.8413 4.8698 4.8698 5.2054 5.2054 5.4358 5.4358 5.9551 5.9600 5.9600 5.9884 7.6084 7.6084 7.6126 7.6218 7.7234 7.7234 8.1975 8.1975 8.3030 8.3037 10.1630 10.1630 11.3912 11.3952 k = 0.2041 0.2041 0.2041 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6860 -31.6860 -7.1501 -7.1501 -6.3885 -6.3885 -6.3878 -6.3848 -6.3643 -6.3643 1.1420 1.1537 1.1537 1.1825 1.7194 1.7194 2.1067 2.1067 2.5319 2.5319 2.5407 2.5437 2.7171 2.7171 2.7591 2.7616 2.8844 2.8844 3.1526 3.1526 3.2698 3.3179 3.3179 3.3257 3.8615 3.8615 3.8898 3.9461 3.9461 3.9503 3.9749 4.0710 4.0833 4.0833 4.1758 4.1758 4.4511 4.4610 4.4610 4.5000 4.7298 4.7538 4.7538 4.8430 4.8638 4.8638 5.1558 5.1558 5.4801 5.4801 5.9515 5.9558 5.9558 5.9854 7.6235 7.6235 7.6283 7.6387 7.7258 7.7258 8.2018 8.2018 8.3041 8.3053 10.1980 10.1980 11.4163 11.4176 k = 0.2143 0.2143 0.2143 ( 6541 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6860 -31.6860 -31.6860 -31.6860 -7.1275 -7.1275 -6.3973 -6.3973 -6.3966 -6.3935 -6.3713 -6.3713 1.1599 1.1719 1.1719 1.2030 1.7324 1.7324 2.0751 2.0751 2.5337 2.5337 2.5360 2.5454 2.7041 2.7041 2.7437 2.7484 2.8731 2.8731 3.1199 3.1199 3.2601 3.3058 3.3058 3.3150 3.8642 3.8642 3.8860 3.9424 3.9424 3.9558 3.9869 4.0738 4.0823 4.0823 4.1741 4.1741 4.4650 4.4785 4.4785 4.5163 4.7349 4.7574 4.7574 4.8465 4.8558 4.8558 5.1095 5.1095 5.5255 5.5255 5.9484 5.9521 5.9521 5.9827 7.6388 7.6388 7.6442 7.6560 7.7315 7.7315 8.2066 8.2066 8.3054 8.3072 10.2276 10.2276 11.4393 11.4396 k = 0.2245 0.2245 0.2245 ( 6556 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6860 -31.6860 -31.6860 -31.6860 -7.1042 -7.1042 -6.4062 -6.4062 -6.4054 -6.4024 -6.3784 -6.3784 1.1764 1.1886 1.1886 1.2219 1.7412 1.7412 2.0450 2.0450 2.5302 2.5349 2.5349 2.5466 2.6932 2.6932 2.7306 2.7381 2.8621 2.8621 3.0886 3.0886 3.2508 3.2944 3.2944 3.3043 3.8652 3.8652 3.8821 3.9402 3.9402 3.9599 3.9991 4.0777 4.0816 4.0816 4.1724 4.1724 4.4780 4.4959 4.4959 4.5321 4.7423 4.7616 4.7616 4.8453 4.8453 4.8518 5.0674 5.0674 5.5716 5.5716 5.9459 5.9490 5.9490 5.9805 7.6544 7.6544 7.6604 7.6736 7.7403 7.7403 8.2120 8.2120 8.3071 8.3095 10.2523 10.2523 11.4596 11.4630 k = 0.2347 0.2347 0.2347 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6860 -31.6860 -31.6860 -31.6860 -7.0805 -7.0805 -6.4151 -6.4151 -6.4143 -6.4112 -6.3856 -6.3856 1.1912 1.2034 1.2034 1.2389 1.7446 1.7446 2.0176 2.0176 2.5237 2.5357 2.5357 2.5474 2.6847 2.6847 2.7200 2.7309 2.8514 2.8514 3.0592 3.0592 3.2418 3.2835 3.2835 3.2937 3.8649 3.8649 3.8787 3.9394 3.9394 3.9633 4.0109 4.0812 4.0812 4.0824 4.1709 4.1709 4.4903 4.5128 4.5128 4.5473 4.7519 4.7651 4.7651 4.8327 4.8327 4.8587 5.0306 5.0306 5.6184 5.6184 5.9445 5.9469 5.9469 5.9791 7.6701 7.6701 7.6766 7.6912 7.7520 7.7520 8.2180 8.2180 8.3095 8.3124 10.2726 10.2726 11.4775 11.4830 k = 0.2449 0.2449 0.2449 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -7.0564 -7.0564 -6.4239 -6.4239 -6.4232 -6.4201 -6.3927 -6.3927 1.2040 1.2162 1.2162 1.2537 1.7411 1.7411 1.9940 1.9940 2.5171 2.5361 2.5361 2.5480 2.6788 2.6788 2.7119 2.7263 2.8411 2.8411 3.0322 3.0322 3.2331 3.2731 3.2731 3.2831 3.8635 3.8635 3.8760 3.9398 3.9398 3.9663 4.0223 4.0809 4.0809 4.0874 4.1695 4.1695 4.5018 4.5291 4.5291 4.5617 4.7632 4.7645 4.7645 4.8207 4.8207 4.8671 4.9998 4.9998 5.6658 5.6658 5.9444 5.9461 5.9461 5.9789 7.6859 7.6859 7.6929 7.7089 7.7667 7.7667 8.2247 8.2247 8.3125 8.3160 10.2889 10.2889 11.4923 11.5007 k = 0.2551 0.2551 0.2551 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -7.0320 -7.0320 -6.4327 -6.4327 -6.4320 -6.4289 -6.3999 -6.3999 1.2147 1.2267 1.2267 1.2660 1.7299 1.7299 1.9748 1.9748 2.5110 2.5365 2.5365 2.5485 2.6754 2.6754 2.7063 2.7238 2.8311 2.8311 3.0081 3.0081 3.2247 3.2631 3.2631 3.2727 3.8615 3.8615 3.8741 3.9410 3.9410 3.9691 4.0330 4.0807 4.0807 4.0925 4.1683 4.1683 4.5125 4.5444 4.5444 4.5751 4.7535 4.7535 4.7759 4.8155 4.8155 4.8765 4.9750 4.9750 5.7135 5.7135 5.9460 5.9470 5.9470 5.9803 7.7016 7.7016 7.7089 7.7264 7.7840 7.7840 8.2323 8.2323 8.3163 8.3202 10.3018 10.3018 11.5027 11.5131 k = 0.2653 0.2653 0.2653 ( 6529 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -7.0073 -7.0073 -6.4415 -6.4415 -6.4407 -6.4376 -6.4071 -6.4071 1.2232 1.2348 1.2348 1.2757 1.7111 1.7111 1.9599 1.9599 2.5061 2.5373 2.5373 2.5492 2.6741 2.6741 2.7032 2.7232 2.8216 2.8216 2.9875 2.9875 3.2166 3.2535 3.2535 3.2624 3.8592 3.8592 3.8731 3.9428 3.9428 3.9722 4.0430 4.0805 4.0805 4.0974 4.1670 4.1670 4.5224 4.5585 4.5585 4.5875 4.7317 4.7317 4.7893 4.8184 4.8184 4.8868 4.9555 4.9555 5.7614 5.7614 5.9497 5.9499 5.9499 5.9836 7.7172 7.7172 7.7247 7.7436 7.8039 7.8039 8.2407 8.2407 8.3209 8.3253 10.3117 10.3117 11.5075 11.5200 k = 0.2755 0.2755 0.2755 ( 6523 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -6.9824 -6.9824 -6.4501 -6.4501 -6.4493 -6.4463 -6.4142 -6.4142 1.2294 1.2405 1.2405 1.2826 1.6857 1.6857 1.9479 1.9479 2.5029 2.5387 2.5387 2.5503 2.6748 2.6748 2.7021 2.7240 2.8125 2.8125 2.9705 2.9705 3.2088 3.2442 3.2442 3.2522 3.8567 3.8567 3.8731 3.9451 3.9451 3.9756 4.0523 4.0803 4.0803 4.1021 4.1658 4.1658 4.5316 4.5712 4.5712 4.5988 4.7041 4.7041 4.8031 4.8254 4.8254 4.8974 4.9402 4.9402 5.8093 5.8093 5.9552 5.9552 5.9558 5.9892 7.7324 7.7324 7.7402 7.7604 7.8263 7.8263 8.2499 8.2499 8.3265 8.3313 10.3189 10.3189 11.5050 11.5199 k = 0.2857 0.2857 0.2857 ( 6535 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -6.9576 -6.9576 -6.4585 -6.4585 -6.4577 -6.4547 -6.4213 -6.4213 1.2333 1.2437 1.2437 1.2868 1.6553 1.6553 1.9375 1.9375 2.5016 2.5412 2.5412 2.5521 2.6769 2.6769 2.7029 2.7258 2.8040 2.8040 2.9574 2.9574 3.2013 3.2352 3.2352 3.2422 3.8544 3.8544 3.8741 3.9475 3.9475 3.9794 4.0609 4.0799 4.0799 4.1063 4.1646 4.1646 4.5402 4.5821 4.5821 4.6090 4.6749 4.6749 4.8165 4.8333 4.8333 4.9079 4.9280 4.9280 5.8570 5.8570 5.9633 5.9633 5.9647 5.9975 7.7473 7.7473 7.7553 7.7767 7.8511 7.8511 8.2600 8.2600 8.3331 8.3380 10.3238 10.3238 11.4938 11.5112 k = 0.2959 0.2959 0.2959 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6861 -31.6861 -31.6861 -31.6861 -6.9327 -6.9327 -6.4668 -6.4668 -6.4659 -6.4630 -6.4283 -6.4283 1.2350 1.2445 1.2445 1.2883 1.6216 1.6216 1.9270 1.9270 2.5025 2.5450 2.5450 2.5549 2.6804 2.6804 2.7051 2.7284 2.7960 2.7960 2.9485 2.9485 3.1941 3.2266 3.2266 3.2325 3.8523 3.8523 3.8760 3.9502 3.9502 3.9837 4.0689 4.0795 4.0795 4.1101 4.1632 4.1632 4.5483 4.5897 4.5897 4.6183 4.6477 4.6477 4.8293 4.8406 4.8406 4.9178 4.9185 4.9185 5.9041 5.9041 5.9746 5.9746 5.9767 6.0088 7.7617 7.7617 7.7699 7.7924 7.8781 7.8781 8.2709 8.2709 8.3407 8.3456 10.3268 10.3268 11.4724 11.4924 k = 0.3061 0.3061 0.3061 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.9080 -6.9080 -6.4749 -6.4749 -6.4740 -6.4711 -6.4352 -6.4352 1.2346 1.2431 1.2431 1.2871 1.5858 1.5858 1.9157 1.9157 2.5057 2.5502 2.5502 2.5588 2.6847 2.6847 2.7085 2.7315 2.7885 2.7885 2.9437 2.9437 3.1873 3.2183 3.2183 3.2230 3.8504 3.8504 3.8790 3.9530 3.9530 3.9886 4.0762 4.0789 4.0789 4.1135 4.1618 4.1618 4.5561 4.5881 4.5881 4.6266 4.6295 4.6295 4.8408 4.8458 4.8458 4.9116 4.9116 4.9265 5.9498 5.9498 5.9902 5.9902 5.9921 6.0235 7.7756 7.7756 7.7840 7.8074 7.9070 7.9070 8.2826 8.2826 8.3492 8.3540 10.3282 10.3282 11.4398 11.4622 k = 0.3163 0.3163 0.3163 ( 6527 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.8836 -6.8836 -6.4827 -6.4827 -6.4817 -6.4790 -6.4420 -6.4420 1.2322 1.2395 1.2395 1.2835 1.5488 1.5488 1.9029 1.9029 2.5111 2.5567 2.5567 2.5638 2.6898 2.6898 2.7128 2.7349 2.7813 2.7813 2.9429 2.9429 3.1807 3.2102 3.2102 3.2138 3.8488 3.8488 3.8829 3.9558 3.9558 3.9939 4.0781 4.0781 4.0830 4.1164 4.1600 4.1600 4.5634 4.5712 4.5712 4.6273 4.6273 4.6340 4.8477 4.8477 4.8507 4.9074 4.9074 4.9338 5.9902 5.9902 6.0110 6.0137 6.0137 6.0415 7.7891 7.7891 7.7977 7.8218 7.9378 7.9378 8.2949 8.2949 8.3585 8.3631 10.3281 10.3281 11.3956 11.4201 k = 0.3265 0.3265 0.3265 ( 6533 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.8594 -6.8594 -6.4902 -6.4902 -6.4892 -6.4865 -6.4488 -6.4488 1.2281 1.2342 1.2342 1.2778 1.5114 1.5114 1.8886 1.8886 2.5186 2.5646 2.5646 2.5700 2.6953 2.6953 2.7178 2.7385 2.7744 2.7744 2.9459 2.9459 3.1745 3.2025 3.2025 3.2049 3.8474 3.8474 3.8878 3.9587 3.9587 3.9998 4.0771 4.0771 4.0892 4.1188 4.1581 4.1581 4.5484 4.5484 4.5706 4.6324 4.6324 4.6407 4.8458 4.8458 4.8587 4.9057 4.9057 4.9393 6.0191 6.0191 6.0334 6.0513 6.0513 6.0631 7.8022 7.8022 7.8109 7.8355 7.9701 7.9701 8.3076 8.3076 8.3686 8.3727 10.3268 10.3268 11.3399 11.3663 k = 0.3367 0.3367 0.3367 ( 6533 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.8357 -6.8357 -6.4975 -6.4975 -6.4964 -6.4938 -6.4554 -6.4554 1.2226 1.2273 1.2273 1.2703 1.4741 1.4741 1.8727 1.8727 2.5279 2.5737 2.5737 2.5771 2.7011 2.7011 2.7233 2.7420 2.7678 2.7678 2.9523 2.9523 3.1687 3.1952 3.1952 3.1965 3.8462 3.8462 3.8935 3.9617 3.9617 4.0060 4.0758 4.0758 4.0948 4.1207 4.1558 4.1558 4.5258 4.5258 4.5776 4.6390 4.6390 4.6468 4.8407 4.8407 4.8647 4.9057 4.9057 4.9426 6.0450 6.0450 6.0594 6.0882 6.0943 6.0943 7.8149 7.8149 7.8236 7.8485 8.0037 8.0037 8.3206 8.3206 8.3793 8.3827 10.3246 10.3246 11.2739 11.3015 k = 0.3469 0.3469 0.3469 ( 6530 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.8125 -6.8125 -6.5044 -6.5044 -6.5033 -6.5008 -6.4619 -6.4619 1.2158 1.2191 1.2191 1.2612 1.4373 1.4373 1.8556 1.8556 2.5388 2.5838 2.5838 2.5851 2.7069 2.7069 2.7289 2.7455 2.7617 2.7617 2.9617 2.9617 3.1633 3.1882 3.1882 3.1884 3.8451 3.8451 3.9001 3.9646 3.9646 4.0127 4.0743 4.0743 4.1001 4.1223 4.1533 4.1533 4.5052 4.5052 4.5845 4.6457 4.6457 4.6524 4.8335 4.8335 4.8686 4.9059 4.9059 4.9437 6.0727 6.0727 6.0886 6.1166 6.1374 6.1374 7.8275 7.8275 7.8361 7.8610 8.0384 8.0384 8.3336 8.3336 8.3903 8.3928 10.3216 10.3216 11.1990 11.2276 k = 0.3571 0.3571 0.3571 ( 6530 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.7899 -6.7899 -6.5110 -6.5110 -6.5098 -6.5074 -6.4683 -6.4683 1.2081 1.2099 1.2099 1.2510 1.4014 1.4014 1.8375 1.8375 2.5509 2.5938 2.5946 2.5946 2.7127 2.7127 2.7346 2.7486 2.7559 2.7559 2.9734 2.9734 3.1584 3.1808 3.1816 3.1816 3.8442 3.8442 3.9076 3.9675 3.9675 4.0195 4.0726 4.0726 4.1048 4.1234 4.1506 4.1506 4.4870 4.4870 4.5914 4.6524 4.6524 4.6575 4.8249 4.8249 4.8703 4.9054 4.9054 4.9425 6.1029 6.1029 6.1208 6.1479 6.1796 6.1796 7.8399 7.8399 7.8483 7.8730 8.0736 8.0736 8.3464 8.3464 8.4014 8.4029 10.3180 10.3180 11.1174 11.1464 k = 0.3673 0.3673 0.3673 ( 6509 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.7680 -6.7680 -6.5172 -6.5172 -6.5159 -6.5137 -6.4747 -6.4747 1.1998 1.2000 1.2000 1.2399 1.3668 1.3668 1.8188 1.8188 2.5641 2.6031 2.6060 2.6060 2.7180 2.7180 2.7403 2.7508 2.7508 2.7515 2.9870 2.9870 3.1538 3.1737 3.1754 3.1754 3.8433 3.8433 3.9158 3.9705 3.9705 4.0265 4.0705 4.0705 4.1092 4.1241 4.1477 4.1477 4.4715 4.4715 4.5984 4.6589 4.6589 4.6622 4.8156 4.8156 4.8701 4.9037 4.9037 4.9391 6.1352 6.1352 6.1556 6.1818 6.2204 6.2204 7.8524 7.8524 7.8605 7.8847 8.1093 8.1093 8.3588 8.3588 8.4123 8.4127 10.3140 10.3140 11.0312 11.0601 k = 0.3776 0.3776 0.3776 ( 6521 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.7468 -6.7468 -6.5230 -6.5230 -6.5217 -6.5196 -6.4809 -6.4809 1.1896 1.1896 1.1911 1.2283 1.3337 1.3337 1.8000 1.8000 2.5778 2.6126 2.6176 2.6176 2.7226 2.7226 2.7456 2.7466 2.7466 2.7540 3.0019 3.0019 3.1496 3.1670 3.1695 3.1695 3.8423 3.8423 3.9246 3.9732 3.9732 4.0334 4.0681 4.0681 4.1130 4.1243 4.1446 4.1446 4.4586 4.4586 4.6055 4.6652 4.6652 4.6666 4.8058 4.8058 4.8679 4.9006 4.9006 4.9336 6.1692 6.1692 6.1924 6.2176 6.2596 6.2596 7.8650 7.8650 7.8726 7.8961 8.1448 8.1448 8.3706 8.3706 8.4220 8.4227 10.3096 10.3096 10.9423 10.9710 k = 0.3878 0.3878 0.3878 ( 6521 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6862 -31.6862 -6.7265 -6.7265 -6.5285 -6.5285 -6.5270 -6.5251 -6.4872 -6.4872 1.1791 1.1791 1.1822 1.2164 1.3024 1.3024 1.7813 1.7813 2.5920 2.6224 2.6294 2.6294 2.7256 2.7256 2.7440 2.7440 2.7504 2.7559 3.0175 3.0175 3.1459 3.1609 3.1642 3.1642 3.8413 3.8413 3.9340 3.9759 3.9759 4.0401 4.0654 4.0654 4.1165 4.1243 4.1416 4.1416 4.4482 4.4482 4.6128 4.6709 4.6714 4.6714 4.7960 4.7960 4.8642 4.8960 4.8960 4.9262 6.2044 6.2044 6.2305 6.2546 6.2969 6.2969 7.8779 7.8779 7.8848 7.9074 8.1798 8.1798 8.3815 8.3815 8.4304 8.4324 10.3051 10.3051 10.8530 10.8811 k = 0.3980 0.3980 0.3980 ( 6533 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.7071 -6.7071 -6.5335 -6.5335 -6.5320 -6.5302 -6.4933 -6.4933 1.1686 1.1686 1.1735 1.2046 1.2732 1.2732 1.7632 1.7632 2.6062 2.6322 2.6410 2.6410 2.7260 2.7260 2.7439 2.7439 2.7547 2.7574 3.0335 3.0335 3.1427 3.1554 3.1593 3.1593 3.8401 3.8401 3.9438 3.9784 3.9784 4.0465 4.0625 4.0625 4.1195 4.1239 4.1388 4.1388 4.4401 4.4401 4.6204 4.6749 4.6774 4.6774 4.7863 4.7863 4.8592 4.8900 4.8900 4.9171 6.2399 6.2399 6.2694 6.2923 6.3321 6.3321 7.8910 7.8910 7.8972 7.9185 8.2137 8.2137 8.3913 8.3913 8.4379 8.4409 10.3005 10.3005 10.7649 10.7924 k = 0.4082 0.4082 0.4082 ( 6536 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6887 -6.6887 -6.5380 -6.5380 -6.5365 -6.5348 -6.4995 -6.4995 1.1584 1.1584 1.1651 1.1931 1.2461 1.2461 1.7460 1.7460 2.6203 2.6419 2.6523 2.6523 2.7244 2.7244 2.7458 2.7458 2.7582 2.7583 3.0493 3.0493 3.1398 3.1505 3.1548 3.1548 3.8389 3.8389 3.9541 3.9807 3.9807 4.0523 4.0595 4.0595 4.1222 4.1234 4.1363 4.1363 4.4341 4.4341 4.6284 4.6789 4.6833 4.6833 4.7771 4.7771 4.8531 4.8828 4.8828 4.9066 6.2750 6.2750 6.3081 6.3296 6.3650 6.3650 7.9045 7.9045 7.9097 7.9297 8.2459 8.2459 8.4000 8.4000 8.4442 8.4482 10.2959 10.2959 10.6800 10.7065 k = 0.4184 0.4184 0.4184 ( 6533 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6712 -6.6712 -6.5422 -6.5422 -6.5405 -6.5390 -6.5058 -6.5058 1.1486 1.1486 1.1572 1.1821 1.2216 1.2216 1.7299 1.7299 2.6341 2.6514 2.6631 2.6631 2.7220 2.7220 2.7484 2.7484 2.7586 2.7609 3.0646 3.0646 3.1374 3.1462 3.1509 3.1509 3.8375 3.8375 3.9647 3.9828 3.9828 4.0565 4.0565 4.0573 4.1228 4.1245 4.1341 4.1341 4.4300 4.4300 4.6366 4.6828 4.6888 4.6888 4.7688 4.7688 4.8463 4.8746 4.8746 4.8950 6.3089 6.3089 6.3460 6.3659 6.3956 6.3956 7.9183 7.9183 7.9225 7.9408 8.2759 8.2759 8.4077 8.4077 8.4491 8.4540 10.2915 10.2915 10.5996 10.6251 k = 0.4286 0.4286 0.4286 ( 6533 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6548 -6.6548 -6.5459 -6.5459 -6.5441 -6.5428 -6.5121 -6.5121 1.1394 1.1394 1.1500 1.1718 1.1997 1.1997 1.7152 1.7152 2.6474 2.6606 2.6731 2.6731 2.7196 2.7196 2.7508 2.7508 2.7584 2.7628 3.0790 3.0790 3.1353 3.1425 3.1474 3.1474 3.8360 3.8360 3.9754 3.9846 3.9846 4.0536 4.0536 4.0611 4.1223 4.1263 4.1323 4.1323 4.4273 4.4273 4.6452 4.6866 4.6937 4.6937 4.7617 4.7617 4.8390 4.8656 4.8656 4.8827 6.3408 6.3408 6.3821 6.4003 6.4236 6.4236 7.9322 7.9322 7.9353 7.9517 8.3026 8.3026 8.4147 8.4147 8.4527 8.4582 10.2873 10.2873 10.5253 10.5497 k = 0.4388 0.4388 0.4388 ( 6542 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6395 -6.6395 -6.5491 -6.5491 -6.5472 -6.5461 -6.5185 -6.5185 1.1309 1.1309 1.1437 1.1624 1.1806 1.1806 1.7020 1.7020 2.6598 2.6693 2.6821 2.6821 2.7176 2.7176 2.7528 2.7528 2.7577 2.7636 3.0921 3.0921 3.1336 3.1393 3.1445 3.1445 3.8345 3.8345 3.9860 3.9860 3.9862 4.0510 4.0510 4.0636 4.1221 4.1277 4.1308 4.1308 4.4258 4.4258 4.6540 4.6902 4.6976 4.6976 4.7565 4.7565 4.8317 4.8561 4.8561 4.8700 6.3699 6.3699 6.4158 6.4319 6.4487 6.4487 7.9459 7.9459 7.9479 7.9623 8.3253 8.3253 8.4214 8.4214 8.4550 8.4608 10.2834 10.2834 10.4584 10.4814 k = 0.4490 0.4490 0.4490 ( 6545 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6252 -6.6252 -6.5518 -6.5518 -6.5498 -6.5489 -6.5252 -6.5252 1.1231 1.1231 1.1384 1.1539 1.1645 1.1645 1.6906 1.6906 2.6713 2.6774 2.6898 2.6898 2.7165 2.7165 2.7542 2.7542 2.7567 2.7636 3.1038 3.1038 3.1323 3.1366 3.1420 3.1420 3.8330 3.8330 3.9872 3.9872 3.9968 4.0487 4.0487 4.0643 4.1222 4.1287 4.1297 4.1297 4.4251 4.4251 4.6629 4.6936 4.7000 4.7000 4.7538 4.7538 4.8247 4.8464 4.8464 4.8573 6.3954 6.3954 6.4461 6.4600 6.4708 6.4708 7.9592 7.9592 7.9601 7.9723 8.3429 8.3429 8.4284 8.4284 8.4562 8.4619 10.2799 10.2799 10.4000 10.4203 k = 0.4592 0.4592 0.4592 ( 6569 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6120 -6.6120 -6.5541 -6.5541 -6.5520 -6.5512 -6.5320 -6.5320 1.1163 1.1163 1.1342 1.1466 1.1516 1.1516 1.6811 1.6811 2.6814 2.6847 2.6956 2.6956 2.7165 2.7165 2.7549 2.7549 2.7554 2.7626 3.1135 3.1135 3.1313 3.1345 3.1401 3.1401 3.8315 3.8315 3.9880 3.9880 4.0072 4.0467 4.0467 4.0633 4.1228 4.1289 4.1289 4.1293 4.4250 4.4250 4.6717 4.6966 4.7008 4.7008 4.7539 4.7539 4.8185 4.8367 4.8367 4.8450 6.4169 6.4169 6.4724 6.4838 6.4897 6.4897 7.9713 7.9715 7.9715 7.9813 8.3550 8.3550 8.4360 8.4360 8.4565 8.4617 10.2767 10.2767 10.3512 10.3679 k = 0.4694 0.4694 0.4694 ( 6563 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5999 -6.5999 -6.5558 -6.5558 -6.5536 -6.5531 -6.5391 -6.5391 1.1106 1.1106 1.1311 1.1404 1.1418 1.1418 1.6736 1.6736 2.6899 2.6912 2.6991 2.6991 2.7181 2.7181 2.7541 2.7551 2.7551 2.7609 3.1212 3.1212 3.1306 3.1328 3.1388 3.1388 3.8303 3.8303 3.9886 3.9886 4.0172 4.0453 4.0453 4.0605 4.1239 4.1283 4.1283 4.1295 4.4252 4.4252 4.6801 4.6990 4.7003 4.7003 4.7563 4.7563 4.8135 4.8275 4.8275 4.8336 6.4339 6.4339 6.4939 6.5027 6.5049 6.5049 7.9812 7.9820 7.9820 7.9887 8.3623 8.3623 8.4438 8.4438 8.4563 8.4606 10.2740 10.2740 10.3129 10.3257 k = 0.4796 0.4796 0.4796 ( 6557 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5891 -6.5891 -6.5572 -6.5572 -6.5548 -6.5544 -6.5463 -6.5463 1.1061 1.1061 1.1294 1.1350 1.1350 1.1355 1.6681 1.6681 2.6963 2.6964 2.7007 2.7007 2.7204 2.7204 2.7533 2.7549 2.7549 2.7587 3.1265 3.1265 3.1302 3.1316 3.1382 3.1382 3.8294 3.8294 3.9891 3.9891 4.0267 4.0443 4.0443 4.0562 4.1252 4.1280 4.1280 4.1293 4.4256 4.4256 4.6876 4.6992 4.6992 4.7003 4.7600 4.7600 4.8102 4.8194 4.8194 4.8238 6.4461 6.4461 6.5102 6.5161 6.5161 6.5161 7.9891 7.9903 7.9903 7.9942 8.3661 8.3661 8.4505 8.4505 8.4561 8.4591 10.2712 10.2712 10.2857 10.2944 k = 0.4898 0.4898 0.4898 ( 6509 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5801 -6.5801 -6.5582 -6.5582 -6.5555 -6.5553 -6.5528 -6.5528 1.1033 1.1033 1.1289 1.1311 1.1311 1.1320 1.6649 1.6649 2.7000 2.7003 2.7013 2.7013 2.7225 2.7225 2.7534 2.7546 2.7546 2.7564 3.1295 3.1295 3.1301 3.1308 3.1383 3.1383 3.8289 3.8289 3.9894 3.9894 4.0356 4.0438 4.0438 4.0505 4.1266 4.1279 4.1279 4.1288 4.4260 4.4260 4.6937 4.6983 4.6983 4.7001 4.7635 4.7635 4.8094 4.8136 4.8136 4.8162 6.4535 6.4535 6.5208 6.5230 6.5230 6.5238 7.9946 7.9956 7.9956 7.9972 8.3677 8.3677 8.4550 8.4550 8.4561 8.4577 10.2681 10.2681 10.2700 10.2744 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5758 -6.5758 -6.5592 -6.5592 -6.5556 -6.5556 -6.5556 -6.5556 1.1024 1.1024 1.1298 1.1298 1.1298 1.1298 1.6638 1.6638 2.7015 2.7015 2.7015 2.7015 2.7233 2.7233 2.7545 2.7545 2.7545 2.7545 3.1303 3.1303 3.1303 3.1303 3.1384 3.1384 3.8287 3.8287 3.9895 3.9895 4.0436 4.0436 4.0436 4.0436 4.1278 4.1278 4.1278 4.1278 4.4262 4.4262 4.6980 4.6980 4.6980 4.6980 4.7650 4.7650 4.8114 4.8114 4.8114 4.8114 6.4560 6.4560 6.5253 6.5253 6.5253 6.5253 7.9974 7.9974 7.9974 7.9974 8.3681 8.3681 8.4566 8.4566 8.4566 8.4566 10.2663 10.2663 10.2663 10.2663 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5758 -6.5758 -6.5592 -6.5592 -6.5556 -6.5556 -6.5556 -6.5556 1.1024 1.1024 1.1298 1.1298 1.1298 1.1298 1.6638 1.6638 2.7015 2.7015 2.7015 2.7015 2.7233 2.7233 2.7545 2.7545 2.7545 2.7545 3.1303 3.1303 3.1303 3.1303 3.1384 3.1384 3.8287 3.8287 3.9895 3.9895 4.0436 4.0436 4.0436 4.0436 4.1278 4.1278 4.1278 4.1278 4.4262 4.4262 4.6980 4.6980 4.6980 4.6980 4.7650 4.7650 4.8114 4.8114 4.8114 4.8114 6.4560 6.4560 6.5253 6.5253 6.5253 6.5253 7.9974 7.9974 7.9974 7.9974 8.3681 8.3681 8.4566 8.4566 8.4566 8.4566 10.2663 10.2663 10.2663 10.2663 k = 0.4875 0.5000 0.4875 ( 6500 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5801 -6.5801 -6.5583 -6.5583 -6.5555 -6.5553 -6.5527 -6.5526 1.1033 1.1033 1.1290 1.1306 1.1314 1.1320 1.6649 1.6649 2.7001 2.7004 2.7012 2.7013 2.7225 2.7226 2.7533 2.7544 2.7549 2.7564 3.1294 3.1298 3.1301 3.1307 3.1382 3.1384 3.8289 3.8289 3.9894 3.9894 4.0359 4.0418 4.0457 4.0504 4.1267 4.1276 4.1282 4.1288 4.4260 4.4260 4.6939 4.6975 4.6989 4.7002 4.7636 4.7636 4.8094 4.8128 4.8142 4.8164 6.4535 6.4535 6.5207 6.5227 6.5230 6.5241 7.9940 7.9954 7.9959 7.9976 8.3677 8.3677 8.4548 8.4553 8.4561 8.4576 10.2681 10.2692 10.2697 10.2739 k = 0.4750 0.5000 0.4750 ( 6548 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5889 -6.5889 -6.5578 -6.5577 -6.5548 -6.5544 -6.5459 -6.5458 1.1061 1.1062 1.1297 1.1339 1.1356 1.1356 1.6681 1.6682 2.6966 2.6966 2.7005 2.7006 2.7202 2.7205 2.7522 2.7550 2.7554 2.7592 3.1262 3.1279 3.1300 3.1309 3.1377 3.1386 3.8294 3.8294 3.9891 3.9891 4.0274 4.0402 4.0479 4.0560 4.1253 4.1274 4.1285 4.1293 4.4256 4.4257 4.6877 4.6975 4.6988 4.7021 4.7603 4.7603 4.8099 4.8181 4.8199 4.8247 6.4460 6.4460 6.5097 6.5144 6.5160 6.5185 7.9858 7.9886 7.9930 7.9964 8.3660 8.3663 8.4501 8.4513 8.4559 8.4588 10.2736 10.2760 10.2822 10.2890 k = 0.4625 0.5000 0.4625 ( 6566 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5994 -6.5992 -6.5578 -6.5576 -6.5531 -6.5526 -6.5384 -6.5382 1.1106 1.1107 1.1320 1.1398 1.1408 1.1424 1.6736 1.6736 2.6903 2.6913 2.6992 2.6994 2.7169 2.7176 2.7515 2.7547 2.7572 2.7622 3.1207 3.1244 3.1301 3.1303 3.1382 3.1396 3.8303 3.8304 3.9886 3.9888 4.0183 4.0391 4.0504 4.0606 4.1241 4.1273 4.1289 4.1298 4.4250 4.4253 4.6798 4.6966 4.6981 4.7048 4.7569 4.7571 4.8124 4.8257 4.8277 4.8351 6.4333 6.4334 6.4928 6.4999 6.5055 6.5091 7.9735 7.9777 7.9887 7.9937 8.3623 8.3631 8.4429 8.4451 8.4559 8.4599 10.2817 10.2852 10.3013 10.3086 k = 0.4500 0.5000 0.4500 ( 6570 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6108 -6.6106 -6.5581 -6.5580 -6.5505 -6.5499 -6.5309 -6.5306 1.1164 1.1165 1.1361 1.1475 1.1483 1.1519 1.6811 1.6812 2.6821 2.6847 2.6968 2.6977 2.7129 2.7142 2.7512 2.7540 2.7592 2.7649 3.1130 3.1188 3.1291 3.1301 3.1401 3.1415 3.8315 3.8317 3.9879 3.9881 4.0088 4.0383 4.0530 4.0642 4.1231 4.1273 4.1291 4.1303 4.4244 4.4251 4.6705 4.6927 4.6989 4.7081 4.7545 4.7552 4.8168 4.8342 4.8374 4.8465 6.4153 6.4154 6.4706 6.4799 6.4916 6.4962 7.9580 7.9636 7.9832 7.9897 8.3553 8.3572 8.4341 8.4377 8.4559 8.4606 10.2924 10.2969 10.3269 10.3347 k = 0.4375 0.5000 0.4375 ( 6556 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6230 -6.6227 -6.5588 -6.5587 -6.5471 -6.5464 -6.5234 -6.5231 1.1228 1.1235 1.1423 1.1558 1.1594 1.1641 1.6906 1.6908 2.6723 2.6770 2.6926 2.6951 2.7087 2.7107 2.7516 2.7531 2.7610 2.7671 3.1033 3.1110 3.1280 3.1301 3.1430 3.1442 3.8329 3.8333 3.9868 3.9870 3.9996 4.0379 4.0552 4.0671 4.1225 4.1274 4.1289 4.1311 4.4239 4.4252 4.6603 4.6876 4.6996 4.7115 4.7534 4.7551 4.8229 4.8428 4.8487 4.8580 6.3919 6.3919 6.4442 6.4555 6.4748 6.4801 7.9403 7.9473 7.9764 7.9845 8.3438 8.3474 8.4247 8.4302 8.4553 8.4603 10.3059 10.3114 10.3590 10.3676 k = 0.4250 0.5000 0.4250 ( 6534 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6359 -6.6356 -6.5597 -6.5596 -6.5428 -6.5421 -6.5161 -6.5157 1.1295 1.1314 1.1508 1.1657 1.1732 1.1790 1.7020 1.7024 2.6613 2.6686 2.6862 2.6913 2.7048 2.7070 2.7522 2.7527 2.7625 2.7686 3.0918 3.1010 3.1271 3.1302 3.1468 3.1477 3.8344 3.8350 3.9828 3.9858 3.9926 4.0379 4.0565 4.0698 4.1225 4.1275 4.1285 4.1322 4.4236 4.4258 4.6496 4.6816 4.6998 4.7149 4.7537 4.7567 4.8306 4.8509 4.8612 4.8693 6.3629 6.3633 6.4145 6.4273 6.4553 6.4612 7.9213 7.9296 7.9685 7.9780 8.3273 8.3328 8.4154 8.4230 8.4538 8.4587 10.3226 10.3292 10.3977 10.4068 k = 0.4125 0.5000 0.4125 ( 6534 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6494 -6.6491 -6.5611 -6.5610 -6.5379 -6.5370 -6.5088 -6.5083 1.1362 1.1400 1.1616 1.1772 1.1896 1.1965 1.7151 1.7159 2.6493 2.6594 2.6775 2.6861 2.7013 2.7032 2.7516 2.7544 2.7634 2.7692 3.0784 3.0891 3.1266 3.1304 3.1511 3.1519 3.8358 3.8366 3.9745 3.9842 3.9897 4.0383 4.0562 4.0730 4.1229 4.1275 4.1278 4.1333 4.4236 4.4272 4.6389 4.6753 4.6994 4.7178 4.7552 4.7599 4.8396 4.8580 4.8737 4.8810 6.3290 6.3301 6.3824 6.3962 6.4332 6.4395 7.9018 7.9114 7.9595 7.9704 8.3060 8.3134 8.4064 8.4161 8.4510 8.4556 10.3424 10.3501 10.4425 10.4521 k = 0.4000 0.5000 0.4000 ( 6542 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6636 -6.6632 -6.5628 -6.5628 -6.5322 -6.5312 -6.5014 -6.5009 1.1431 1.1492 1.1743 1.1903 1.2084 1.2163 1.7299 1.7311 2.6365 2.6498 2.6670 2.6794 2.6977 2.6992 2.7515 2.7567 2.7640 2.7691 3.0634 3.0755 3.1267 3.1309 3.1560 3.1568 3.8370 3.8380 3.9645 3.9823 3.9883 4.0390 4.0545 4.0767 4.1238 4.1270 4.1276 4.1347 4.4242 4.4294 4.6285 4.6691 4.6984 4.7202 4.7576 4.7642 4.8498 4.8640 4.8836 4.8950 6.2911 6.2930 6.3486 6.3629 6.4086 6.4152 7.8823 7.8931 7.9497 7.9617 8.2806 8.2897 8.3974 8.4089 8.4467 8.4506 10.3656 10.3743 10.4930 10.5029 k = 0.3875 0.5000 0.3875 ( 6542 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6783 -6.6779 -6.5651 -6.5650 -6.5258 -6.5247 -6.4940 -6.4934 1.1504 1.1590 1.1885 1.2048 1.2295 1.2384 1.7461 1.7478 2.6230 2.6399 2.6551 2.6713 2.6940 2.6950 2.7520 2.7595 2.7641 2.7683 3.0469 3.0601 3.1274 3.1320 3.1616 3.1624 3.8380 3.8390 3.9545 3.9801 3.9871 4.0401 4.0520 4.0807 4.1248 4.1263 4.1279 4.1363 4.4255 4.4329 4.6185 4.6631 4.6969 4.7220 4.7607 4.7692 4.8604 4.8693 4.8905 4.9112 6.2502 6.2533 6.3135 6.3278 6.3817 6.3884 7.8634 7.8752 7.9390 7.9521 8.2520 8.2627 8.3878 8.4010 8.4408 8.4437 10.3919 10.4017 10.5488 10.5590 k = 0.3750 0.5000 0.3750 ( 6534 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6935 -6.6931 -6.5678 -6.5678 -6.5187 -6.5176 -6.4864 -6.4858 1.1581 1.1691 1.2042 1.2206 1.2526 1.2624 1.7635 1.7658 2.6088 2.6297 2.6421 2.6619 2.6901 2.6904 2.7532 2.7619 2.7649 2.7669 3.0290 3.0432 3.1289 3.1338 3.1676 3.1686 3.8385 3.8393 3.9449 3.9776 3.9859 4.0415 4.0492 4.0849 4.1256 4.1257 4.1287 4.1382 4.4278 4.4379 4.6092 4.6575 4.6949 4.7232 4.7642 4.7743 4.8671 4.8778 4.8949 4.9288 6.2078 6.2119 6.2774 6.2914 6.3525 6.3593 7.8451 7.8579 7.9275 7.9416 8.2209 8.2332 8.3771 8.3919 8.4331 8.4349 10.4213 10.4321 10.6094 10.6197 k = 0.3625 0.5000 0.3625 ( 6518 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.7091 -6.7087 -6.5710 -6.5710 -6.5111 -6.5099 -6.4785 -6.4779 1.1661 1.1795 1.2210 1.2376 1.2776 1.2882 1.7819 1.7849 2.5942 2.6194 2.6283 2.6514 2.6854 2.6859 2.7551 2.7622 2.7653 2.7680 3.0099 3.0250 3.1313 3.1364 3.1742 3.1754 3.8385 3.8386 3.9361 3.9747 3.9846 4.0431 4.0467 4.0889 4.1252 4.1261 4.1303 4.1405 4.4312 4.4444 4.6006 4.6524 4.6925 4.7241 4.7676 4.7791 4.8681 4.8909 4.8967 4.9473 6.1648 6.1700 6.2407 6.2543 6.3211 6.3278 7.8276 7.8413 7.9153 7.9302 8.1882 8.2019 8.3651 8.3815 8.4238 8.4243 10.4535 10.4653 10.6744 10.6848 k = 0.3500 0.5000 0.3500 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.7251 -6.7246 -6.5748 -6.5748 -6.5028 -6.5016 -6.4705 -6.4699 1.1743 1.1902 1.2388 1.2556 1.3041 1.3155 1.8009 1.8048 2.5790 2.6090 2.6138 2.6398 2.6802 2.6814 2.7576 2.7617 2.7636 2.7723 2.9898 3.0056 3.1346 3.1398 3.1812 3.1828 3.8366 3.8376 3.9284 3.9714 3.9832 4.0446 4.0446 4.0926 4.1249 4.1261 4.1324 4.1433 4.4357 4.4526 4.5927 4.6478 4.6898 4.7244 4.7707 4.7831 4.8661 4.8957 4.9058 4.9665 6.1222 6.1284 6.2038 6.2167 6.2877 6.2943 7.8111 7.8256 7.9025 7.9178 8.1546 8.1696 8.3515 8.3696 8.4119 8.4129 10.4882 10.5009 10.7434 10.7537 k = 0.3375 0.5000 0.3375 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.7414 -6.7409 -6.5790 -6.5790 -6.4941 -6.4927 -6.4622 -6.4616 1.1827 1.2010 1.2574 1.2744 1.3319 1.3441 1.8203 1.8252 2.5635 2.5986 2.5989 2.6273 2.6748 2.6767 2.7599 2.7611 2.7629 2.7772 2.9688 2.9852 3.1389 3.1443 3.1887 3.1907 3.8332 3.8360 3.9219 3.9676 3.9817 4.0435 4.0460 4.0957 4.1247 4.1260 4.1349 4.1466 4.4414 4.4626 4.5855 4.6438 4.6866 4.7244 4.7733 4.7860 4.8617 4.8919 4.9219 4.9863 6.0805 6.0878 6.1672 6.1792 6.2527 6.2591 7.7956 7.8107 7.8888 7.9043 8.1208 8.1370 8.3363 8.3562 8.3979 8.4005 10.5251 10.5386 10.8157 10.8261 k = 0.3250 0.5000 0.3250 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.7579 -6.7574 -6.5838 -6.5837 -6.4849 -6.4834 -6.4537 -6.4530 1.1912 1.2117 1.2766 1.2938 1.3607 1.3736 1.8396 1.8458 2.5477 2.5838 2.5883 2.6141 2.6692 2.6719 2.7597 2.7608 2.7657 2.7825 2.9473 2.9641 3.1441 3.1499 3.1967 3.1992 3.8285 3.8334 3.9167 3.9635 3.9801 4.0436 4.0470 4.0983 4.1247 4.1256 4.1378 4.1507 4.4485 4.4744 4.5792 4.6403 4.6830 4.7239 4.7754 4.7874 4.8552 4.8852 4.9387 5.0064 6.0402 6.0486 6.1312 6.1422 6.2163 6.2225 7.7809 7.7967 7.8741 7.8895 8.0877 8.1047 8.3196 8.3415 8.3825 8.3869 10.5638 10.5780 10.8910 10.9014 k = 0.3125 0.5000 0.3125 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.7745 -6.7740 -6.5889 -6.5889 -6.4752 -6.4737 -6.4450 -6.4443 1.1995 1.2222 1.2963 1.3137 1.3903 1.4039 1.8587 1.8663 2.5316 2.5686 2.5782 2.6004 2.6635 2.6671 2.7590 2.7610 2.7700 2.7882 2.9254 2.9425 3.1504 3.1567 3.2051 3.2083 3.8224 3.8300 3.9128 3.9590 3.9784 4.0449 4.0476 4.1003 4.1249 4.1251 4.1410 4.1557 4.4569 4.4879 4.5736 4.6372 4.6790 4.7228 4.7769 4.7866 4.8474 4.8757 4.9562 5.0268 6.0014 6.0109 6.0961 6.1059 6.1793 6.1852 7.7672 7.7834 7.8581 7.8728 8.0562 8.0737 8.3012 8.3254 8.3658 8.3721 10.6037 10.6186 10.9688 10.9793 k = 0.3000 0.5000 0.3000 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.7913 -6.7907 -6.5945 -6.5944 -6.4651 -6.4636 -6.4360 -6.4353 1.2076 1.2324 1.3164 1.3338 1.4204 1.4345 1.8771 1.8863 2.5156 2.5536 2.5683 2.5865 2.6578 2.6624 2.7589 2.7618 2.7751 2.7941 2.9035 2.9209 3.1577 3.1647 3.2140 3.2179 3.8154 3.8258 3.9098 3.9544 3.9766 4.0474 4.0476 4.1018 4.1243 4.1252 4.1447 4.1616 4.4665 4.5029 4.5688 4.6347 4.6744 4.7210 4.7780 4.7830 4.8391 4.8635 4.9741 5.0473 5.9638 5.9745 6.0624 6.0707 6.1423 6.1480 7.7543 7.7709 7.8405 7.8538 8.0273 8.0447 8.2814 8.3081 8.3483 8.3566 10.6446 10.6599 11.0486 11.0593 k = 0.2875 0.5000 0.2875 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.8080 -6.8075 -6.6004 -6.6003 -6.4548 -6.4532 -6.4269 -6.4262 1.2153 1.2421 1.3365 1.3540 1.4507 1.4653 1.8946 1.9055 2.4997 2.5388 2.5585 2.5726 2.6521 2.6577 2.7593 2.7634 2.7805 2.8003 2.8820 2.8996 3.1661 3.1739 3.2234 3.2280 3.8078 3.8207 3.9076 3.9496 3.9746 4.0468 4.0509 4.1028 4.1231 4.1254 4.1486 4.1684 4.4770 4.5186 4.5651 4.6324 4.6692 4.7182 4.7757 4.7791 4.8318 4.8491 4.9924 5.0677 5.9268 5.9385 6.0302 6.0368 6.1063 6.1120 7.7422 7.7590 7.8207 7.8319 8.0018 8.0187 8.2603 8.2896 8.3302 8.3404 10.6857 10.7014 11.1299 11.1408 k = 0.2750 0.5000 0.2750 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.8247 -6.8241 -6.6066 -6.6066 -6.4441 -6.4426 -6.4176 -6.4169 1.2224 1.2510 1.3566 1.3740 1.4809 1.4960 1.9107 1.9235 2.4842 2.5245 2.5487 2.5591 2.6466 2.6531 2.7601 2.7657 2.7866 2.8065 2.8614 2.8794 3.1756 3.1845 3.2333 3.2388 3.7999 3.8150 3.9059 3.9448 3.9726 4.0454 4.0552 4.1034 4.1216 4.1257 4.1530 4.1762 4.4882 4.5334 4.5636 4.6306 4.6632 4.7140 4.7646 4.7804 4.8266 4.8330 5.0109 5.0880 5.8894 5.9018 5.9999 6.0048 6.0725 6.0784 7.7309 7.7478 7.7985 7.8072 7.9802 7.9962 8.2380 8.2702 8.3119 8.3238 10.7268 10.7426 11.2122 11.2233 k = 0.2625 0.5000 0.2625 ( 6532 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.8412 -6.8406 -6.6131 -6.6130 -6.4333 -6.4317 -6.4083 -6.4075 1.2288 1.2591 1.3764 1.3937 1.5107 1.5261 1.9254 1.9402 2.4693 2.5106 2.5383 2.5470 2.6412 2.6487 2.7606 2.7685 2.7931 2.8119 2.8430 2.8611 3.1863 3.1964 3.2437 3.2502 3.7920 3.8089 3.9044 3.9401 3.9705 4.0432 4.0602 4.1038 4.1196 4.1259 4.1576 4.1846 4.4996 4.5421 4.5689 4.6290 4.6563 4.7081 4.7504 4.7820 4.8164 4.8236 5.0294 5.1081 5.8506 5.8631 5.9715 5.9752 6.0421 6.0483 7.7202 7.7370 7.7738 7.7798 7.9626 7.9778 8.2147 8.2498 8.2936 8.3071 10.7672 10.7831 11.2948 11.3063 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6862 -31.6862 -31.6861 -31.6861 -6.8575 -6.8569 -6.6197 -6.6196 -6.4223 -6.4207 -6.3988 -6.3981 1.2344 1.2660 1.3958 1.4128 1.5399 1.5556 1.9385 1.9553 2.4553 2.4974 2.5268 2.5371 2.6360 2.6444 2.7594 2.7706 2.8000 2.8128 2.8320 2.8463 3.1982 3.2097 3.2547 3.2623 3.7843 3.8023 3.9032 3.9355 3.9682 4.0403 4.0655 4.1041 4.1171 4.1263 4.1626 4.1936 4.5106 4.5420 4.5821 4.6278 4.6485 4.7002 4.7349 4.7821 4.8022 4.8228 5.0479 5.1277 5.8094 5.8213 5.9453 5.9483 6.0159 6.0227 7.7101 7.7260 7.7469 7.7510 7.9485 7.9633 8.1907 8.2288 8.2756 8.2903 10.8066 10.8224 11.3772 11.3889 k = 0.2375 0.5000 0.2375 ( 6518 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6861 -31.6861 -6.8734 -6.8729 -6.6265 -6.6264 -6.4113 -6.4097 -6.3894 -6.3886 1.2390 1.2718 1.4146 1.4312 1.5682 1.5840 1.9498 1.9686 2.4423 2.4850 2.5147 2.5290 2.6310 2.6404 2.7549 2.7691 2.8071 2.8074 2.8336 2.8370 3.2113 3.2243 3.2664 3.2752 3.7770 3.7957 3.9020 3.9312 3.9661 4.0367 4.0708 4.1044 4.1142 4.1266 4.1679 4.2031 4.5204 4.5377 4.5971 4.6269 4.6399 4.6902 4.7200 4.7731 4.7997 4.8244 5.0664 5.1469 5.7655 5.7760 5.9214 5.9247 5.9945 6.0016 7.7002 7.7108 7.7187 7.7257 7.9374 7.9524 8.1662 8.2076 8.2582 8.2738 10.8446 10.8601 11.4586 11.4705 k = 0.2250 0.5000 0.2250 ( 6526 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.8891 -6.8885 -6.6333 -6.6332 -6.4003 -6.3987 -6.3800 -6.3792 1.2426 1.2763 1.4326 1.4487 1.5953 1.6112 1.9593 1.9802 2.4306 2.4734 2.5028 2.5223 2.6262 2.6364 2.7460 2.7606 2.8062 2.8149 2.8342 2.8398 3.2257 3.2402 3.2787 3.2889 3.7702 3.7889 3.9008 3.9270 3.9639 4.0325 4.0757 4.1048 4.1109 4.1270 4.1733 4.2125 4.5278 4.5308 4.6081 4.6262 4.6325 4.6784 4.7075 4.7589 4.8059 4.8286 5.0846 5.1654 5.7189 5.7275 5.9001 5.9041 5.9774 5.9849 7.6834 7.6852 7.6952 7.7124 7.9286 7.9447 8.1416 8.1864 8.2413 8.2576 10.8807 10.8958 11.5383 11.5501 k = 0.2125 0.5000 0.2125 ( 6532 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9043 -6.9037 -6.6402 -6.6401 -6.3893 -6.3877 -6.3706 -6.3699 1.2451 1.2793 1.4496 1.4651 1.6211 1.6369 1.9671 1.9900 2.4203 2.4631 2.4916 2.5166 2.6216 2.6325 2.7338 2.7475 2.8111 2.8225 2.8370 2.8469 3.2413 3.2573 3.2918 3.3036 3.7640 3.7822 3.8995 3.9230 3.9617 4.0278 4.0798 4.1054 4.1075 4.1275 4.1788 4.2217 4.5211 4.5318 4.6073 4.6256 4.6327 4.6655 4.6995 4.7458 4.8158 4.8359 5.1024 5.1829 5.6701 5.6764 5.8813 5.8866 5.9644 5.9721 7.6524 7.6568 7.6852 7.7031 7.9214 7.9397 8.1173 8.1658 8.2252 8.2420 10.9147 10.9294 11.6152 11.6263 k = 0.2000 0.5000 0.2000 ( 6530 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9189 -6.9184 -6.6469 -6.6468 -6.3785 -6.3769 -6.3615 -6.3607 1.2465 1.2809 1.4656 1.4803 1.6454 1.6609 1.9732 1.9979 2.4116 2.4541 2.4814 2.5120 2.6172 2.6288 2.7198 2.7333 2.8187 2.8301 2.8434 2.8544 3.2583 3.2755 3.3057 3.3194 3.7584 3.7756 3.8981 3.9192 3.9597 4.0227 4.0823 4.1041 4.1069 4.1281 4.1842 4.2304 4.5080 4.5313 4.5971 4.6231 4.6371 4.6543 4.6972 4.7358 4.8283 4.8464 5.1197 5.1993 5.6196 5.6234 5.8654 5.8721 5.9547 5.9626 7.6213 7.6268 7.6774 7.6949 7.9154 7.9367 8.0936 8.1462 8.2100 8.2269 10.9464 10.9604 11.6882 11.6972 k = 0.1875 0.5000 0.1875 ( 6524 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9331 -6.9326 -6.6536 -6.6535 -6.3678 -6.3663 -6.3525 -6.3518 1.2468 1.2810 1.4803 1.4941 1.6679 1.6830 1.9779 2.0042 2.4045 2.4468 2.4720 2.5087 2.6130 2.6252 2.7055 2.7195 2.8277 2.8379 2.8520 2.8619 3.2764 3.2945 3.3206 3.3365 3.7534 3.7691 3.8964 3.9155 3.9578 4.0173 4.0823 4.1020 4.1088 4.1288 4.1890 4.2380 4.4914 4.5257 4.5842 4.6144 4.6401 4.6499 4.7002 4.7292 4.8429 4.8600 5.1364 5.2143 5.5681 5.5691 5.8524 5.8609 5.9478 5.9559 7.5908 7.5971 7.6702 7.6872 7.9100 7.9350 8.0711 8.1281 8.1957 8.2125 10.9755 10.9889 11.7548 11.7593 k = 0.1750 0.5000 0.1750 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6860 -31.6860 -6.9466 -6.9461 -6.6601 -6.6600 -6.3575 -6.3560 -6.3438 -6.3431 1.2460 1.2796 1.4937 1.5065 1.6886 1.7031 1.9812 2.0087 2.3989 2.4413 2.4637 2.5067 2.6089 2.6218 2.6917 2.7066 2.8373 2.8458 2.8613 2.8694 3.2956 3.3143 3.3364 3.3548 3.7489 3.7628 3.8944 3.9121 3.9561 4.0118 4.0795 4.1012 4.1115 4.1295 4.1930 4.2442 4.4720 4.5153 4.5699 4.5994 4.6429 4.6530 4.7066 4.7263 4.8592 4.8759 5.1523 5.2277 5.5142 5.5161 5.8424 5.8528 5.9431 5.9513 7.5613 7.5682 7.6637 7.6801 7.9047 7.9337 8.0508 8.1121 8.1823 8.1990 11.0020 11.0146 11.8048 11.8095 k = 0.1625 0.5000 0.1625 ( 6542 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9594 -6.9589 -6.6664 -6.6664 -6.3475 -6.3461 -6.3354 -6.3347 1.2443 1.2770 1.5057 1.5175 1.7074 1.7211 1.9833 2.0117 2.3947 2.4380 2.4564 2.5060 2.6050 2.6185 2.6787 2.6948 2.8470 2.8538 2.8708 2.8767 3.3157 3.3345 3.3534 3.3744 3.7448 3.7567 3.8921 3.9088 3.9548 4.0064 4.0746 4.1013 4.1146 4.1303 4.1957 4.2487 4.4505 4.5008 4.5545 4.5818 4.6467 4.6602 4.7147 4.7265 4.8767 4.8932 5.1669 5.2390 5.4591 5.4641 5.8358 5.8481 5.9401 5.9484 7.5332 7.5403 7.6576 7.6733 7.8991 7.9316 8.0338 8.0984 8.1701 8.1864 11.0258 11.0376 11.8181 11.8328 k = 0.1500 0.5000 0.1500 ( 6522 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9715 -6.9710 -6.6725 -6.6724 -6.3379 -6.3365 -6.3273 -6.3267 1.2417 1.2731 1.5164 1.5271 1.7242 1.7371 1.9845 2.0132 2.3919 2.4369 2.4501 2.5067 2.6014 2.6154 2.6669 2.6842 2.8566 2.8619 2.8801 2.8838 3.3366 3.3550 3.3715 3.3953 3.7410 3.7507 3.8895 3.9057 3.9539 4.0014 4.0687 4.1019 4.1181 4.1312 4.1969 4.2510 4.4279 4.4835 4.5385 4.5637 4.6525 4.6699 4.7242 4.7295 4.8949 4.9111 5.1801 5.2481 5.4045 5.4128 5.8326 5.8468 5.9386 5.9470 7.5066 7.5137 7.6521 7.6670 7.8926 7.9271 8.0216 8.0876 8.1590 8.1747 11.0469 11.0579 11.7886 11.7998 k = 0.1375 0.5000 0.1375 ( 6530 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9828 -6.9824 -6.6782 -6.6781 -6.3288 -6.3275 -6.3197 -6.3191 1.2384 1.2682 1.5256 1.5352 1.7391 1.7510 1.9849 2.0133 2.3903 2.4382 2.4446 2.5087 2.5978 2.6125 2.6561 2.6745 2.8659 2.8697 2.8889 2.8906 3.3580 3.3759 3.3907 3.4171 3.7372 3.7447 3.8865 3.9027 3.9535 3.9969 4.0621 4.1027 4.1214 4.1320 4.1960 4.2510 4.4047 4.4640 4.5221 4.5458 4.6602 4.6815 4.7347 4.7349 4.9132 4.9287 5.1914 5.2546 5.3506 5.3625 5.8328 5.8487 5.9382 5.9466 7.4816 7.4886 7.6471 7.6611 7.8853 7.9190 8.0153 8.0795 8.1492 8.1641 11.0653 11.0756 11.7300 11.7345 k = 0.1250 0.5000 0.1250 ( 6536 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -6.9932 -6.9929 -6.6836 -6.6835 -6.3202 -6.3190 -6.3125 -6.3120 1.2347 1.2625 1.5335 1.5419 1.7521 1.7629 1.9847 2.0123 2.3897 2.4399 2.4416 2.5121 2.5943 2.6098 2.6465 2.6657 2.8747 2.8773 2.8969 2.8970 3.3797 3.3971 3.4111 3.4394 3.7331 3.7386 3.8835 3.8997 3.9536 3.9931 4.0553 4.1037 4.1244 4.1329 4.1931 4.2484 4.3814 4.4432 4.5061 4.5289 4.6697 4.6946 4.7423 4.7462 4.9312 4.9453 5.2004 5.2582 5.2982 5.3138 5.8364 5.8536 5.9386 5.9471 7.4584 7.4651 7.6426 7.6556 7.8769 7.9076 8.0144 8.0741 8.1408 8.1545 11.0813 11.0908 11.6587 11.6592 k = 0.1125 0.5000 0.1125 ( 6532 PWs) bands (ev): -58.0944 -58.0944 -32.5121 -32.5121 -31.6862 -31.6862 -31.6859 -31.6859 -7.0029 -7.0025 -6.6886 -6.6885 -6.3122 -6.3112 -6.3059 -6.3054 1.2306 1.2563 1.5401 1.5474 1.7633 1.7731 1.9841 2.0103 2.3901 2.4359 2.4471 2.5166 2.5909 2.6074 2.6379 2.6577 2.8828 2.8846 2.9029 2.9042 3.4015 3.4186 3.4323 3.4620 3.7285 3.7323 3.8806 3.8969 3.9544 3.9900 4.0485 4.1049 4.1268 4.1338 4.1882 4.2434 4.3584 4.4214 4.4910 4.5131 4.6809 4.7090 4.7515 4.7588 4.9484 4.9603 5.2065 5.2446 5.2619 5.2676 5.8433 5.8611 5.9396 5.9482 7.4372 7.4434 7.6385 7.6505 7.8679 7.8942 8.0175 8.0709 8.1338 8.1461 11.0948 11.1036 11.5814 11.5827 k = 0.1000 0.5000 0.1000 ( 6532 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0115 -7.0112 -6.6932 -6.6931 -6.3049 -6.3040 -6.2998 -6.2994 1.2264 1.2497 1.5456 1.5518 1.7728 1.7815 1.9833 2.0076 2.3912 2.4325 2.4544 2.5222 2.5874 2.6051 2.6303 2.6502 2.8903 2.8915 2.9083 2.9105 3.4235 3.4404 3.4541 3.4841 3.7230 3.7256 3.8781 3.8942 3.9560 3.9880 4.0418 4.1062 4.1279 4.1345 4.1823 4.2362 4.3360 4.3992 4.4774 4.4987 4.6935 4.7243 4.7625 4.7722 4.9645 4.9734 5.1966 5.2048 5.2290 5.2595 5.8529 5.8706 5.9412 5.9500 7.4178 7.4236 7.6350 7.6458 7.8585 7.8802 8.0230 8.0692 8.1285 8.1390 11.1061 11.1143 11.5049 11.5067 k = 0.0875 0.5000 0.0875 ( 6524 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0193 -7.0190 -6.6973 -6.6972 -6.2984 -6.2975 -6.2944 -6.2940 1.2223 1.2430 1.5500 1.5552 1.7808 1.7884 1.9824 2.0044 2.3929 2.4295 2.4630 2.5285 2.5840 2.6031 2.6237 2.6432 2.8971 2.8978 2.9131 2.9158 3.4454 3.4622 3.4760 3.5054 3.7161 3.7183 3.8763 3.8916 3.9586 3.9869 4.0355 4.1076 4.1261 4.1351 4.1768 4.2273 4.3144 4.3770 4.4655 4.4860 4.7077 4.7402 4.7750 4.7859 4.9790 4.9843 5.1500 5.1747 5.2194 5.2560 5.8644 5.8811 5.9433 5.9522 7.4006 7.4058 7.6319 7.6415 7.8492 7.8665 8.0295 8.0683 8.1248 8.1332 11.1152 11.1230 11.4322 11.4337 k = 0.0750 0.5000 0.0750 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6862 -31.6862 -31.6859 -31.6859 -7.0261 -7.0258 -6.7009 -6.7008 -6.2925 -6.2918 -6.2895 -6.2892 1.2185 1.2365 1.5534 1.5578 1.7874 1.7938 1.9815 2.0009 2.3951 2.4268 2.4727 2.5353 2.5805 2.6014 2.6179 2.6364 2.9031 2.9035 2.9173 2.9203 3.4673 3.4839 3.4975 3.5254 3.7079 3.7102 3.8752 3.8892 3.9622 3.9869 4.0294 4.1091 4.1199 4.1353 4.1741 4.2175 4.2939 4.3550 4.4557 4.4748 4.7231 4.7562 4.7888 4.7995 4.9914 4.9924 5.1064 5.1373 5.2184 5.2507 5.8771 5.8919 5.9458 5.9549 7.3855 7.3900 7.6294 7.6377 7.8403 7.8539 8.0363 8.0676 8.1228 8.1288 11.1224 11.1298 11.3654 11.3661 k = 0.0625 0.5000 0.0625 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6859 -31.6859 -7.0318 -7.0317 -6.7040 -6.7039 -6.2875 -6.2869 -6.2854 -6.2851 1.2152 1.2304 1.5562 1.5596 1.7928 1.7981 1.9808 1.9973 2.3976 2.4242 2.4830 2.5420 2.5771 2.6000 2.6130 2.6298 2.9084 2.9085 2.9209 2.9238 3.4887 3.5051 3.5179 3.5434 3.6982 3.7014 3.8749 3.8870 3.9670 3.9881 4.0238 4.1085 4.1110 4.1350 4.1750 4.2078 4.2751 4.3335 4.4481 4.4651 4.7400 4.7721 4.8034 4.8122 4.9971 5.0007 5.0673 5.1033 5.2171 5.2441 5.8897 5.9019 5.9489 5.9581 7.3726 7.3764 7.6273 7.6343 7.8322 7.8426 8.0426 8.0668 8.1222 8.1259 11.1277 11.1351 11.3059 11.3065 k = 0.0500 0.5000 0.0500 ( 6508 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0366 -7.0364 -6.7065 -6.7065 -6.2834 -6.2829 -6.2819 -6.2817 1.2126 1.2248 1.5582 1.5609 1.7970 1.8013 1.9804 1.9938 2.4004 2.4218 2.4936 2.5474 2.5747 2.5988 2.6089 2.6231 2.9128 2.9128 2.9238 2.9264 3.5095 3.5251 3.5368 3.5590 3.6872 3.6916 3.8752 3.8849 3.9729 3.9908 4.0184 4.0942 4.1123 4.1339 4.1789 4.1992 4.2586 4.3128 4.4424 4.4569 4.7581 4.7877 4.8179 4.8233 4.9966 5.0013 5.0387 5.0755 5.2154 5.2369 5.9012 5.9102 5.9525 5.9616 7.3620 7.3650 7.6258 7.6314 7.8253 7.8329 8.0479 8.0657 8.1226 8.1242 11.1311 11.1387 11.2548 11.2569 k = 0.0375 0.5000 0.0375 ( 6508 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0403 -7.0402 -6.7086 -6.7085 -6.2801 -6.2797 -6.2792 -6.2790 1.2107 1.2199 1.5598 1.5617 1.8003 1.8035 1.9804 1.9905 2.4033 2.4194 2.5043 2.5495 2.5750 2.5978 2.6057 2.6164 2.9163 2.9163 2.9261 2.9282 3.5289 3.5429 3.5536 3.5718 3.6755 3.6811 3.8760 3.8831 3.9796 3.9956 4.0132 4.0777 4.1139 4.1318 4.1840 4.1928 4.2456 4.2932 4.4388 4.4502 4.7774 4.8025 4.8310 4.8318 4.9827 4.9886 5.0321 5.0569 5.2135 5.2297 5.9105 5.9165 5.9568 5.9649 7.3537 7.3560 7.6247 7.6290 7.8198 7.8251 8.0522 8.0644 8.1234 8.1237 11.1327 11.1405 11.2144 11.2181 k = 0.0250 0.5000 0.0250 ( 6510 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0430 -7.0429 -6.7100 -6.7100 -6.2777 -6.2775 -6.2772 -6.2770 1.2098 1.2159 1.5609 1.5621 1.8027 1.8048 1.9808 1.9876 2.4062 2.4170 2.5146 2.5469 2.5789 2.5969 2.6034 2.6099 2.9188 2.9190 2.9277 2.9293 3.5460 3.5569 3.5680 3.5814 3.6645 3.6704 3.8769 3.8816 3.9862 4.0033 4.0080 4.0606 4.1159 4.1287 4.1885 4.1892 4.2382 4.2751 4.4369 4.4447 4.7974 4.8159 4.8368 4.8404 4.9600 4.9738 5.0348 5.0476 5.2123 5.2231 5.9172 5.9206 5.9613 5.9675 7.3479 7.3494 7.6242 7.6270 7.8159 7.8193 8.0555 8.0630 8.1238 8.1242 11.1324 11.1398 11.1865 11.1912 k = 0.0125 0.5000 0.0125 ( 6510 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0446 -7.0445 -6.7109 -6.7109 -6.2764 -6.2763 -6.2759 -6.2758 1.2098 1.2128 1.5616 1.5622 1.8043 1.8054 1.9818 1.9852 2.4090 2.4144 2.5244 2.5410 2.5850 2.5953 2.6019 2.6043 2.9205 2.9205 2.9289 2.9297 3.5588 3.5648 3.5795 3.5872 3.6565 3.6609 3.8780 3.8802 3.9921 4.0028 4.0144 4.0439 4.1184 4.1250 4.1883 4.1902 4.2385 4.2592 4.4367 4.4407 4.8170 4.8269 4.8378 4.8423 4.9464 4.9577 5.0381 5.0435 5.2124 5.2178 5.9212 5.9227 5.9652 5.9686 7.3445 7.3453 7.6241 7.6255 7.8138 7.8154 8.0580 8.0616 8.1243 8.1246 11.1313 11.1360 11.1726 11.1760 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5120 -32.5120 -31.6861 -31.6861 -31.6858 -31.6858 -7.0451 -7.0451 -6.7112 -6.7112 -6.2759 -6.2759 -6.2755 -6.2755 1.2108 1.2108 1.5620 1.5620 1.8052 1.8052 1.9832 1.9832 2.4118 2.4118 2.5333 2.5333 2.5911 2.5911 2.6017 2.6017 2.9210 2.9210 2.9295 2.9295 3.5654 3.5654 3.5868 3.5868 3.6550 3.6550 3.8790 3.8790 3.9975 3.9975 4.0282 4.0282 4.1214 4.1214 4.1893 4.1893 4.2463 4.2463 4.4380 4.4380 4.8333 4.8333 4.8347 4.8347 4.9465 4.9465 5.0409 5.0409 5.2142 5.2142 5.9229 5.9229 5.9678 5.9678 7.3436 7.3436 7.6246 7.6246 7.8136 7.8136 8.0599 8.0599 8.1246 8.1246 11.1320 11.1320 11.1702 11.1702 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7603 -6.7603 -6.5755 -6.5755 -6.5710 -6.5710 -6.4102 -6.4102 1.4790 1.4790 1.4790 1.4790 1.5425 1.5425 2.2618 2.2618 2.3927 2.3927 2.4921 2.4921 2.5037 2.5037 2.6090 2.6090 2.7994 2.7994 2.8766 2.8766 3.0832 3.0832 3.1061 3.1061 3.8381 3.8381 3.9529 3.9529 3.9593 3.9593 4.0891 4.0891 4.1711 4.1711 4.2464 4.2464 4.3604 4.3604 4.6940 4.6940 4.7059 4.7059 4.8142 4.8142 4.8473 4.8473 4.9460 4.9460 5.5674 5.5674 5.5869 5.5869 6.3160 6.3160 7.5980 7.5980 7.6534 7.6534 8.0616 8.0616 8.2366 8.2366 8.2838 8.2838 11.4448 11.4448 11.4516 11.4516 k = 0.5000 0.5000 0.0172 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7600 -6.7600 -6.5755 -6.5755 -6.5709 -6.5709 -6.4104 -6.4104 1.4774 1.4774 1.4779 1.4779 1.5410 1.5410 2.2553 2.2553 2.3972 2.3972 2.4928 2.4928 2.5054 2.5054 2.6091 2.6091 2.8011 2.8011 2.8763 2.8763 3.0833 3.0833 3.1062 3.1062 3.8384 3.8384 3.9530 3.9530 3.9589 3.9589 4.0892 4.0892 4.1707 4.1707 4.2452 4.2452 4.3604 4.3604 4.6860 4.6860 4.7142 4.7142 4.8147 4.8147 4.8482 4.8482 4.9456 4.9456 5.5694 5.5694 5.5887 5.5887 6.3165 6.3165 7.5935 7.5935 7.6603 7.6603 8.0614 8.0614 8.2372 8.2372 8.2845 8.2845 11.4420 11.4420 11.4487 11.4487 k = 0.5000 0.5000 0.0345 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7591 -6.7591 -6.5753 -6.5753 -6.5708 -6.5708 -6.4110 -6.4110 1.4732 1.4732 1.4743 1.4743 1.5364 1.5364 2.2381 2.2381 2.4086 2.4086 2.4950 2.4950 2.5106 2.5106 2.6096 2.6096 2.8061 2.8061 2.8757 2.8757 3.0837 3.0837 3.1064 3.1064 3.8395 3.8395 3.9534 3.9534 3.9579 3.9579 4.0894 4.0894 4.1698 4.1698 4.2418 4.2418 4.3606 4.3606 4.6745 4.6745 4.7265 4.7265 4.8163 4.8163 4.8507 4.8507 4.9447 4.9447 5.5755 5.5755 5.5944 5.5944 6.3182 6.3182 7.5840 7.5840 7.6767 7.6767 8.0609 8.0609 8.2392 8.2392 8.2866 8.2866 11.4335 11.4335 11.4401 11.4401 k = 0.5000 0.5000 0.0517 ( 6508 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7575 -6.7575 -6.5751 -6.5751 -6.5706 -6.5706 -6.4119 -6.4119 1.4663 1.4663 1.4683 1.4683 1.5291 1.5291 2.2143 2.2143 2.4232 2.4232 2.4989 2.4989 2.5184 2.5184 2.6105 2.6105 2.8142 2.8142 2.8746 2.8746 3.0843 3.0843 3.1069 3.1069 3.8414 3.8414 3.9540 3.9540 3.9565 3.9565 4.0898 4.0898 4.1682 4.1682 4.2363 4.2363 4.3610 4.3610 4.6631 4.6631 4.7392 4.7392 4.8188 4.8188 4.8545 4.8545 4.9433 4.9433 5.5858 5.5858 5.6038 5.6038 6.3208 6.3208 7.5743 7.5743 7.6983 7.6983 8.0601 8.0601 8.2425 8.2425 8.2901 8.2901 11.4192 11.4192 11.4255 11.4255 k = 0.5000 0.5000 0.0690 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7554 -6.7554 -6.5747 -6.5747 -6.5703 -6.5703 -6.4133 -6.4133 1.4571 1.4571 1.4599 1.4599 1.5189 1.5189 2.1866 2.1866 2.4385 2.4385 2.5046 2.5046 2.5285 2.5285 2.6117 2.6117 2.8251 2.8251 2.8732 2.8732 3.0852 3.0852 3.1075 3.1075 3.8439 3.8439 3.9535 3.9535 3.9557 3.9557 4.0903 4.0903 4.1662 4.1662 4.2292 4.2292 4.3616 4.3616 4.6523 4.6523 4.7515 4.7515 4.8224 4.8224 4.8589 4.8589 4.9413 4.9413 5.6002 5.6002 5.6172 5.6172 6.3245 6.3245 7.5659 7.5659 7.7232 7.7232 8.0589 8.0589 8.2470 8.2470 8.2949 8.2949 11.3992 11.3992 11.4051 11.4051 k = 0.5000 0.5000 0.0862 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7527 -6.7527 -6.5743 -6.5743 -6.5699 -6.5699 -6.4151 -6.4151 1.4455 1.4455 1.4493 1.4493 1.5064 1.5064 2.1568 2.1568 2.4538 2.4538 2.5119 2.5119 2.5401 2.5401 2.6132 2.6132 2.8384 2.8384 2.8715 2.8715 3.0863 3.0863 3.1083 3.1083 3.8469 3.8469 3.9511 3.9511 3.9568 3.9568 4.0909 4.0909 4.1637 4.1637 4.2208 4.2208 4.3625 4.3625 4.6422 4.6422 4.7630 4.7630 4.8270 4.8270 4.8634 4.8634 4.9388 4.9388 5.6188 5.6188 5.6345 5.6345 6.3292 6.3292 7.5598 7.5598 7.7506 7.7506 8.0575 8.0575 8.2527 8.2527 8.3010 8.3010 11.3733 11.3733 11.3787 11.3787 k = 0.5000 0.5000 0.1034 ( 6496 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7494 -6.7494 -6.5738 -6.5738 -6.5694 -6.5694 -6.4172 -6.4172 1.4319 1.4319 1.4368 1.4368 1.4916 1.4916 2.1257 2.1257 2.4689 2.4689 2.5205 2.5205 2.5526 2.5526 2.6151 2.6151 2.8529 2.8529 2.8704 2.8704 3.0876 3.0876 3.1093 3.1093 3.8504 3.8504 3.9481 3.9481 3.9583 3.9583 4.0917 4.0917 4.1608 4.1608 4.2116 4.2116 4.3638 4.3638 4.6329 4.6329 4.7731 4.7731 4.8324 4.8324 4.8674 4.8674 4.9359 4.9359 5.6418 5.6418 5.6560 5.6560 6.3349 6.3349 7.5562 7.5562 7.7802 7.7802 8.0557 8.0557 8.2595 8.2595 8.3082 8.3082 11.3415 11.3415 11.3464 11.3464 k = 0.5000 0.5000 0.1207 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7455 -6.7455 -6.5732 -6.5732 -6.5689 -6.5689 -6.4198 -6.4198 1.4166 1.4166 1.4225 1.4225 1.4748 1.4748 2.0941 2.0941 2.4836 2.4836 2.5303 2.5303 2.5656 2.5656 2.6172 2.6172 2.8616 2.8616 2.8762 2.8762 3.0891 3.0891 3.1103 3.1103 3.8541 3.8541 3.9449 3.9449 3.9599 3.9599 4.0925 4.0925 4.1577 4.1577 4.2016 4.2016 4.3655 4.3655 4.6245 4.6245 4.7813 4.7813 4.8387 4.8387 4.8703 4.8703 4.9327 4.9327 5.6689 5.6689 5.6815 5.6815 6.3413 6.3413 7.5553 7.5553 7.8117 7.8117 8.0536 8.0536 8.2672 8.2672 8.3164 8.3164 11.3039 11.3039 11.3082 11.3082 k = 0.5000 0.5000 0.1379 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6860 -31.6860 -6.7411 -6.7411 -6.5725 -6.5725 -6.5683 -6.5683 -6.4227 -6.4227 1.3997 1.3997 1.4068 1.4068 1.4565 1.4565 2.0622 2.0622 2.4983 2.4983 2.5410 2.5410 2.5787 2.5787 2.6197 2.6197 2.8604 2.8604 2.8927 2.8927 3.0909 3.0909 3.1115 3.1115 3.8579 3.8579 3.9418 3.9418 3.9618 3.9618 4.0934 4.0934 4.1545 4.1545 4.1915 4.1915 4.3676 4.3676 4.6170 4.6170 4.7873 4.7873 4.8455 4.8455 4.8720 4.8720 4.9293 4.9293 5.7000 5.7000 5.7112 5.7112 6.3486 6.3486 7.5573 7.5573 7.8449 7.8449 8.0513 8.0513 8.2758 8.2758 8.3255 8.3255 11.2607 11.2607 11.2644 11.2644 k = 0.5000 0.5000 0.1552 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7361 -6.7361 -6.5718 -6.5718 -6.5676 -6.5676 -6.4261 -6.4261 1.3816 1.3816 1.3898 1.3898 1.4369 1.4369 2.0306 2.0306 2.5129 2.5129 2.5524 2.5524 2.5917 2.5917 2.6227 2.6227 2.8572 2.8572 2.9116 2.9116 3.0928 3.0928 3.1128 3.1128 3.8615 3.8615 3.9390 3.9390 3.9638 3.9638 4.0943 4.0943 4.1513 4.1513 4.1813 4.1813 4.3704 4.3704 4.6105 4.6105 4.7909 4.7909 4.8524 4.8524 4.8721 4.8721 4.9258 4.9258 5.7350 5.7350 5.7450 5.7450 6.3566 6.3566 7.5623 7.5623 7.8797 7.8797 8.0488 8.0488 8.2850 8.2850 8.3353 8.3353 11.2122 11.2122 11.2154 11.2154 k = 0.5000 0.5000 0.1724 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7306 -6.7306 -6.5709 -6.5709 -6.5669 -6.5669 -6.4298 -6.4298 1.3626 1.3626 1.3718 1.3718 1.4162 1.4162 1.9994 1.9994 2.5275 2.5275 2.5643 2.5643 2.6044 2.6044 2.6260 2.6260 2.8535 2.8535 2.9310 2.9310 3.0949 3.0949 3.1143 3.1143 3.8645 3.8645 3.9372 3.9372 3.9660 3.9660 4.0953 4.0953 4.1483 4.1483 4.1714 4.1714 4.3737 4.3737 4.6052 4.6052 4.7922 4.7922 4.8587 4.8587 4.8708 4.8708 4.9225 4.9225 5.7732 5.7732 5.7828 5.7828 6.3653 6.3653 7.5703 7.5703 7.9157 7.9157 8.0460 8.0460 8.2949 8.2949 8.3456 8.3456 11.1588 11.1588 11.1620 11.1620 k = 0.5000 0.5000 0.1897 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7246 -6.7246 -6.5701 -6.5701 -6.5661 -6.5661 -6.4339 -6.4339 1.3429 1.3429 1.3530 1.3530 1.3949 1.3949 1.9688 1.9688 2.5419 2.5419 2.5764 2.5764 2.6165 2.6165 2.6300 2.6300 2.8492 2.8492 2.9504 2.9504 3.0971 3.0971 3.1158 3.1158 3.8666 3.8666 3.9364 3.9364 3.9682 3.9682 4.0962 4.0962 4.1455 4.1455 4.1618 4.1618 4.3775 4.3775 4.6009 4.6009 4.7915 4.7915 4.8628 4.8628 4.8690 4.8690 4.9194 4.9194 5.8142 5.8142 5.8243 5.8243 6.3744 6.3744 7.5814 7.5814 7.9529 7.9529 8.0430 8.0430 8.3051 8.3051 8.3564 8.3564 11.1011 11.1011 11.1047 11.1047 k = 0.5000 0.5000 0.2069 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7182 -6.7182 -6.5692 -6.5692 -6.5653 -6.5653 -6.4384 -6.4384 1.3228 1.3228 1.3339 1.3339 1.3731 1.3731 1.9390 1.9390 2.5563 2.5563 2.5887 2.5887 2.6272 2.6272 2.6354 2.6354 2.8446 2.8446 2.9695 2.9695 3.0995 3.0995 3.1174 3.1174 3.8673 3.8673 3.9373 3.9373 3.9704 3.9704 4.0971 4.0971 4.1429 4.1429 4.1528 4.1528 4.3817 4.3817 4.5980 4.5980 4.7890 4.7890 4.8609 4.8609 4.8698 4.8698 4.9170 4.9170 5.8577 5.8577 5.8693 5.8693 6.3840 6.3840 7.5956 7.5956 7.9909 7.9909 8.0399 8.0399 8.3155 8.3155 8.3673 8.3673 11.0400 11.0400 11.0443 11.0443 k = 0.5000 0.5000 0.2241 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7113 -6.7113 -6.5683 -6.5683 -6.5645 -6.5645 -6.4433 -6.4433 1.3025 1.3025 1.3145 1.3145 1.3512 1.3512 1.9103 1.9103 2.5704 2.5704 2.6008 2.6008 2.6346 2.6346 2.6442 2.6442 2.8397 2.8397 2.9879 2.9879 3.1019 3.1019 3.1190 3.1190 3.8667 3.8667 3.9398 3.9398 3.9726 3.9726 4.0978 4.0978 4.1402 4.1402 4.1448 4.1448 4.3862 4.3862 4.5963 4.5963 4.7850 4.7850 4.8554 4.8554 4.8706 4.8706 4.9154 4.9154 5.9033 5.9033 5.9171 5.9171 6.3940 6.3940 7.6128 7.6128 8.0289 8.0289 8.0371 8.0371 8.3260 8.3260 8.3782 8.3782 10.9762 10.9762 10.9815 10.9815 k = 0.5000 0.5000 0.2414 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6861 -31.6861 -6.7040 -6.7040 -6.5674 -6.5674 -6.5637 -6.5637 -6.4485 -6.4485 1.2823 1.2823 1.2952 1.2952 1.3293 1.3293 1.8826 1.8826 2.5842 2.5842 2.6126 2.6126 2.6400 2.6400 2.6549 2.6549 2.8344 2.8344 3.0055 3.0055 3.1044 3.1044 3.1207 3.1207 3.8648 3.8648 3.9438 3.9438 3.9748 3.9748 4.0982 4.0982 4.1358 4.1358 4.1399 4.1399 4.3909 4.3909 4.5960 4.5960 4.7798 4.7798 4.8484 4.8484 4.8694 4.8694 4.9143 4.9143 5.9506 5.9506 5.9670 5.9670 6.4041 6.4041 7.6329 7.6329 8.0330 8.0330 8.0684 8.0684 8.3364 8.3364 8.3890 8.3890 10.9108 10.9108 10.9172 10.9172 k = 0.5000 0.5000 0.2586 ( 6504 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.6964 -6.6964 -6.5664 -6.5664 -6.5628 -6.5628 -6.4542 -6.4542 1.2624 1.2624 1.2761 1.2761 1.3078 1.3078 1.8562 1.8562 2.5976 2.5976 2.6238 2.6238 2.6453 2.6453 2.6658 2.6658 2.8290 2.8290 3.0221 3.0221 3.1069 3.1069 3.1224 3.1224 3.8621 3.8621 3.9490 3.9490 3.9769 3.9769 4.0981 4.0981 4.1299 4.1299 4.1378 4.1378 4.3956 4.3956 4.5972 4.5972 4.7737 4.7737 4.8404 4.8404 4.8663 4.8663 4.9133 4.9133 5.9991 5.9991 6.0184 6.0184 6.4144 6.4144 7.6558 7.6558 8.0296 8.0296 8.1069 8.1069 8.3465 8.3465 8.3993 8.3993 10.8446 10.8446 10.8522 10.8522 k = 0.5000 0.5000 0.2759 ( 6512 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.6884 -6.6884 -6.5655 -6.5655 -6.5620 -6.5620 -6.4601 -6.4601 1.2430 1.2430 1.2576 1.2576 1.2868 1.2868 1.8311 1.8311 2.6105 2.6105 2.6343 2.6343 2.6511 2.6511 2.6765 2.6765 2.8233 2.8233 3.0376 3.0376 3.1094 3.1094 3.1240 3.1240 3.8587 3.8587 3.9550 3.9550 3.9789 3.9789 4.0970 4.0970 4.1250 4.1250 4.1363 4.1363 4.4002 4.4002 4.5998 4.5998 4.7669 4.7669 4.8316 4.8316 4.8618 4.8618 4.9119 4.9119 6.0484 6.0484 6.0707 6.0707 6.4246 6.4246 7.6811 7.6811 8.0261 8.0261 8.1447 8.1447 8.3563 8.3563 8.4091 8.4091 10.7786 10.7786 10.7873 10.7873 k = 0.5000 0.5000 0.2931 ( 6520 PWs) bands (ev): -58.0944 -58.0944 -32.5122 -32.5122 -31.6863 -31.6863 -31.6862 -31.6862 -6.6800 -6.6800 -6.5645 -6.5645 -6.5612 -6.5612 -6.4665 -6.4665 1.2242 1.2242 1.2397 1.2397 1.2665 1.2665 1.8075 1.8075 2.6229 2.6229 2.6435 2.6435 2.6578 2.6578 2.6867 2.6867 2.8174 2.8174 3.0519 3.0519 3.1119 3.1119 3.1257 3.1257 3.8550 3.8550 3.9617 3.9617 3.9809 3.9809 4.0950 4.0950 4.1218 4.1218 4.1352 4.1352 4.4045 4.4045 4.6040 4.6040 4.7596 4.7596 4.8224 4.8224 4.8566 4.8566 4.9095 4.9095 6.0977 6.0977 6.1233 6.1233 6.4349 6.4349 7.7088 7.7088 8.0227 8.0227 8.1814 8.1814 8.3657 8.3657 8.4181 8.4181 10.7136 10.7136 10.7234 10.7234 k = 0.5000 0.5000 0.3103 ( 6516 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6714 -6.6714 -6.5636 -6.5636 -6.5604 -6.5604 -6.4732 -6.4732 1.2063 1.2063 1.2228 1.2228 1.2472 1.2472 1.7854 1.7854 2.6345 2.6345 2.6515 2.6515 2.6653 2.6653 2.6964 2.6964 2.8114 2.8114 3.0650 3.0650 3.1144 3.1144 3.1273 3.1273 3.8513 3.8513 3.9685 3.9685 3.9829 3.9829 4.0919 4.0919 4.1201 4.1201 4.1343 4.1343 4.4085 4.4085 4.6097 4.6097 4.7520 4.7520 4.8129 4.8129 4.8509 4.8509 4.9058 4.9058 6.1466 6.1466 6.1754 6.1754 6.4449 6.4449 7.7382 7.7382 8.0193 8.0193 8.2164 8.2164 8.3746 8.3746 8.4263 8.4263 10.6505 10.6505 10.6612 10.6612 k = 0.5000 0.5000 0.3276 ( 6528 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6625 -6.6625 -6.5628 -6.5628 -6.5596 -6.5596 -6.4802 -6.4802 1.1895 1.1895 1.2068 1.2068 1.2289 1.2289 1.7650 1.7650 2.6453 2.6453 2.6584 2.6584 2.6734 2.6734 2.7055 2.7055 2.8052 2.8052 3.0768 3.0768 3.1168 3.1168 3.1289 3.1289 3.8476 3.8476 3.9752 3.9752 3.9851 3.9851 4.0880 4.0880 4.1196 4.1196 4.1335 4.1335 4.4120 4.4120 4.6168 4.6168 4.7445 4.7445 4.8033 4.8033 4.8450 4.8450 4.9008 4.9008 6.1943 6.1943 6.2263 6.2263 6.4547 6.4547 7.7691 7.7691 8.0160 8.0160 8.2491 8.2491 8.3832 8.3832 8.4335 8.4335 10.5900 10.5900 10.6015 10.6015 k = 0.5000 0.5000 0.3448 ( 6536 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6534 -6.6534 -6.5620 -6.5620 -6.5589 -6.5589 -6.4875 -6.4875 1.1738 1.1738 1.1921 1.1921 1.2118 1.2118 1.7462 1.7462 2.6553 2.6553 2.6647 2.6647 2.6815 2.6815 2.7140 2.7140 2.7990 2.7990 3.0874 3.0874 3.1190 3.1190 3.1304 3.1304 3.8441 3.8441 3.9806 3.9806 3.9884 3.9884 4.0838 4.0838 4.1198 4.1198 4.1328 4.1328 4.4151 4.4151 4.6252 4.6252 4.7371 4.7371 4.7940 4.7940 4.8392 4.8392 4.8944 4.8944 6.2401 6.2401 6.2755 6.2755 6.4641 6.4641 7.8009 7.8009 8.0128 8.0128 8.2786 8.2786 8.3915 8.3915 8.4396 8.4396 10.5328 10.5328 10.5451 10.5451 k = 0.5000 0.5000 0.3621 ( 6552 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6862 -31.6862 -6.6442 -6.6442 -6.5612 -6.5612 -6.5583 -6.5583 -6.4951 -6.4951 1.1594 1.1594 1.1787 1.1787 1.1961 1.1961 1.7293 1.7293 2.6643 2.6643 2.6708 2.6708 2.6892 2.6892 2.7219 2.7219 2.7927 2.7927 3.0968 3.0968 3.1211 3.1211 3.1317 3.1317 3.8409 3.8409 3.9837 3.9837 3.9937 3.9937 4.0794 4.0794 4.1204 4.1204 4.1323 4.1323 4.4177 4.4177 4.6346 4.6346 4.7300 4.7300 4.7851 4.7851 4.8336 4.8336 4.8866 4.8866 6.2834 6.2834 6.3222 6.3222 6.4732 6.4732 7.8329 7.8329 8.0099 8.0099 8.3042 8.3042 8.4000 8.4000 8.4447 8.4447 10.4798 10.4798 10.4926 10.4926 k = 0.5000 0.5000 0.3793 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6348 -6.6348 -6.5605 -6.5605 -6.5577 -6.5577 -6.5030 -6.5030 1.1465 1.1465 1.1667 1.1667 1.1819 1.1819 1.7142 1.7142 2.6722 2.6722 2.6768 2.6768 2.6963 2.6963 2.7290 2.7290 2.7864 2.7864 3.1050 3.1050 3.1231 3.1231 3.1331 3.1331 3.8381 3.8381 3.9855 3.9855 4.0003 4.0003 4.0751 4.0751 4.1213 4.1213 4.1318 4.1318 4.4199 4.4199 4.6449 4.6449 4.7235 4.7235 4.7770 4.7770 4.8284 4.8284 4.8776 4.8776 6.3232 6.3232 6.3657 6.3657 6.4819 6.4819 7.8644 7.8644 8.0072 8.0072 8.3252 8.3252 8.4090 8.4090 8.4487 8.4487 10.4314 10.4314 10.4445 10.4445 k = 0.5000 0.5000 0.3966 ( 6544 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6253 -6.6253 -6.5599 -6.5599 -6.5572 -6.5572 -6.5112 -6.5112 1.1350 1.1350 1.1562 1.1562 1.1692 1.1692 1.7010 1.7010 2.6790 2.6790 2.6826 2.6826 2.7027 2.7027 2.7353 2.7353 2.7802 2.7802 3.1120 3.1120 3.1249 3.1249 3.1343 3.1343 3.8356 3.8356 3.9867 3.9867 4.0071 4.0071 4.0709 4.0709 4.1223 4.1223 4.1313 4.1313 4.4217 4.4217 4.6556 4.6556 4.7177 4.7177 4.7701 4.7701 4.8236 4.8236 4.8676 4.8676 6.3588 6.3588 6.4052 6.4052 6.4903 6.4903 7.8947 7.8947 8.0047 8.0047 8.3411 8.3411 8.4186 8.4186 8.4517 8.4517 10.3884 10.3884 10.4015 10.4015 k = 0.5000 0.5000 0.4138 ( 6560 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6158 -6.6158 -6.5593 -6.5593 -6.5567 -6.5567 -6.5196 -6.5196 1.1252 1.1252 1.1474 1.1474 1.1582 1.1582 1.6897 1.6897 2.6850 2.6850 2.6880 2.6880 2.7084 2.7084 2.7408 2.7408 2.7742 2.7742 3.1178 3.1178 3.1265 3.1265 3.1353 3.1353 3.8334 3.8334 3.9876 3.9876 4.0138 4.0138 4.0666 4.0666 4.1233 4.1233 4.1308 4.1308 4.4231 4.4231 4.6662 4.6662 4.7125 4.7125 4.7646 4.7646 4.8194 4.8194 4.8567 4.8567 6.3895 6.3895 6.4400 6.4400 6.4984 6.4984 7.9227 7.9227 8.0026 8.0026 8.3522 8.3522 8.4285 8.4285 8.4538 8.4538 10.3512 10.3512 10.3638 10.3638 k = 0.5000 0.5000 0.4310 ( 6564 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.6063 -6.6063 -6.5589 -6.5589 -6.5563 -6.5563 -6.5281 -6.5281 1.1171 1.1171 1.1403 1.1403 1.1489 1.1489 1.6804 1.6804 2.6902 2.6902 2.6928 2.6928 2.7132 2.7132 2.7454 2.7454 2.7686 2.7686 3.1224 3.1224 3.1279 3.1279 3.1362 3.1362 3.8317 3.8317 3.9883 3.9883 4.0203 4.0203 4.0622 4.0622 4.1242 4.1242 4.1303 4.1303 4.4241 4.4241 4.6761 4.6761 4.7082 4.7082 4.7611 4.7611 4.8159 4.8159 4.8454 4.8454 6.4145 6.4145 6.4696 6.4696 6.5063 6.5063 7.9476 7.9476 8.0008 8.0008 8.3595 8.3595 8.4378 8.4378 8.4552 8.4552 10.3202 10.3202 10.3317 10.3317 k = 0.5000 0.5000 0.4483 ( 6564 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5969 -6.5969 -6.5586 -6.5586 -6.5560 -6.5560 -6.5367 -6.5367 1.1107 1.1107 1.1349 1.1349 1.1413 1.1413 1.6731 1.6731 2.6947 2.6947 2.6965 2.6965 2.7173 2.7173 2.7490 2.7490 2.7634 2.7634 3.1258 3.1258 3.1290 3.1290 3.1371 3.1371 3.8303 3.8303 3.9888 3.9888 4.0266 4.0266 4.0578 4.0578 4.1252 4.1252 4.1297 4.1297 4.4249 4.4249 4.6846 4.6846 4.7048 4.7048 4.7600 4.7600 4.8132 4.8132 4.8342 4.8342 6.4334 6.4334 6.4933 6.4933 6.5136 6.5136 7.9684 7.9684 7.9994 7.9994 8.3639 8.3639 8.4457 8.4457 8.4561 8.4561 10.2959 10.2959 10.3052 10.3052 k = 0.5000 0.5000 0.4655 ( 6548 PWs) bands (ev): -58.0944 -58.0944 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5878 -6.5878 -6.5584 -6.5584 -6.5558 -6.5558 -6.5451 -6.5451 1.1061 1.1061 1.1314 1.1314 1.1356 1.1356 1.6679 1.6679 2.6982 2.6982 2.6993 2.6993 2.7204 2.7204 2.7517 2.7517 2.7591 2.7591 3.1283 3.1283 3.1298 3.1298 3.1377 3.1377 3.8294 3.8294 3.9892 3.9892 4.0325 4.0325 4.0533 4.0533 4.1261 4.1261 4.1291 4.1291 4.4256 4.4256 4.6910 4.6910 4.7021 4.7021 4.7612 4.7612 4.8113 4.8113 4.8238 4.8238 6.4462 6.4462 6.5107 6.5107 6.5199 6.5199 7.9841 7.9841 7.9984 7.9984 8.3664 8.3664 8.4516 8.4516 8.4566 8.4566 10.2786 10.2786 10.2849 10.2849 k = 0.5000 0.5000 0.4828 ( 6500 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5798 -6.5798 -6.5585 -6.5585 -6.5557 -6.5557 -6.5525 -6.5525 1.1033 1.1033 1.1296 1.1296 1.1318 1.1318 1.6648 1.6648 2.7006 2.7006 2.7010 2.7010 2.7226 2.7226 2.7534 2.7534 2.7561 2.7561 3.1297 3.1297 3.1303 3.1303 3.1383 3.1383 3.8289 3.8289 3.9894 3.9894 4.0383 4.0383 4.0486 4.0486 4.1270 4.1270 4.1285 4.1285 4.4261 4.4261 4.6953 4.6953 4.7000 4.7000 4.7637 4.7637 4.8104 4.8104 4.8157 4.8157 6.4536 6.4536 6.5213 6.5213 6.5242 6.5242 7.9938 7.9938 7.9978 7.9978 8.3677 8.3677 8.4552 8.4552 8.4568 8.4568 10.2686 10.2686 10.2717 10.2717 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.0943 -58.0943 -32.5123 -32.5123 -31.6863 -31.6863 -31.6863 -31.6863 -6.5758 -6.5758 -6.5592 -6.5592 -6.5556 -6.5556 -6.5556 -6.5556 1.1024 1.1024 1.1298 1.1298 1.1298 1.1298 1.6638 1.6638 2.7015 2.7015 2.7015 2.7015 2.7233 2.7233 2.7545 2.7545 2.7545 2.7545 3.1303 3.1303 3.1303 3.1303 3.1384 3.1384 3.8287 3.8287 3.9895 3.9895 4.0436 4.0436 4.0436 4.0436 4.1278 4.1278 4.1278 4.1278 4.4262 4.4262 4.6980 4.6980 4.6980 4.6980 4.7650 4.7650 4.8114 4.8114 4.8114 4.8114 6.4560 6.4560 6.5253 6.5253 6.5253 6.5253 7.9974 7.9974 7.9974 7.9974 8.3681 8.3681 8.4566 8.4566 8.4566 8.4566 10.2663 10.2663 10.2663 10.2663 Writing output data file VCu3Se4.save init_run : 3.19s CPU 11.50s WALL ( 1 calls) electrons : 1590.52s CPU 1606.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.57s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 1590.49s CPU 1606.29s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.98s WALL ( 1 calls) v_h : 0.02s CPU 0.05s WALL ( 1 calls) v_xc : 0.18s CPU 0.65s WALL ( 1 calls) newd : 1.03s CPU 1.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 222 calls) cegterg : 1537.42s CPU 1550.75s WALL ( 795 calls) Called by sum_band: Called by *egterg: h_psi : 462.45s CPU 472.46s WALL ( 15562 calls) s_psi : 54.92s CPU 55.41s WALL ( 15562 calls) g_psi : 1.41s CPU 1.43s WALL ( 14545 calls) cdiaghg : 767.39s CPU 765.15s WALL ( 14767 calls) cegterg:over : 134.57s CPU 130.75s WALL ( 14545 calls) cegterg:upda : 44.67s CPU 47.92s WALL ( 14545 calls) cegterg:last : 30.38s CPU 30.87s WALL ( 1683 calls) Called by h_psi: h_psi:vloc : 346.78s CPU 354.68s WALL ( 15562 calls) h_psi:vnl : 114.84s CPU 116.28s WALL ( 15562 calls) add_vuspsi : 41.59s CPU 47.02s WALL ( 15562 calls) General routines calbec : 73.19s CPU 69.14s WALL ( 15562 calls) fft : 0.39s CPU 1.38s WALL ( 19 calls) ffts : 0.03s CPU 0.03s WALL ( 4 calls) fftw : 306.84s CPU 307.29s WALL ( 1643364 calls) interpolate : 0.10s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 1.46s WALL ( 444 calls) Parallel routines fft_scatter : 218.18s CPU 210.23s WALL ( 1643387 calls) PWSCF : 27m41.61s CPU 29m54.91s WALL This run was terminated on: 11:14: 0 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=