Program PWSCF v.5.1.1 starts on 2Nov2015 at 2:40:46 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 6734 1077 170 Max 119 36 11 6739 1105 175 Sum 5705 1693 489 323389 52299 8217 bravais-lattice index = 14 lattice parameter (alat) = 10.5239 a.u. unit-cell volume = 1165.5426 (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)= 10.523884 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: 323389 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 52299 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 ( 6739) G-vector shells 0.01 Mb ( 1218) 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 50.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.4 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.8 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.6 secs Computing kpt #: 6 total cpu time spent up to now is 101.4 secs Computing kpt #: 7 total cpu time spent up to now is 108.3 secs Computing kpt #: 8 total cpu time spent up to now is 115.0 secs Computing kpt #: 9 total cpu time spent up to now is 120.5 secs Computing kpt #: 10 total cpu time spent up to now is 126.0 secs Computing kpt #: 11 total cpu time spent up to now is 131.3 secs Computing kpt #: 12 total cpu time spent up to now is 136.1 secs Computing kpt #: 13 total cpu time spent up to now is 140.8 secs Computing kpt #: 14 total cpu time spent up to now is 145.9 secs Computing kpt #: 15 total cpu time spent up to now is 150.7 secs Computing kpt #: 16 total cpu time spent up to now is 155.6 secs Computing kpt #: 17 total cpu time spent up to now is 160.4 secs Computing kpt #: 18 total cpu time spent up to now is 165.3 secs Computing kpt #: 19 total cpu time spent up to now is 170.9 secs Computing kpt #: 20 total cpu time spent up to now is 175.9 secs Computing kpt #: 21 total cpu time spent up to now is 180.8 secs Computing kpt #: 22 total cpu time spent up to now is 185.7 secs Computing kpt #: 23 total cpu time spent up to now is 191.1 secs Computing kpt #: 24 total cpu time spent up to now is 196.0 secs Computing kpt #: 25 total cpu time spent up to now is 200.9 secs Computing kpt #: 26 total cpu time spent up to now is 205.8 secs Computing kpt #: 27 total cpu time spent up to now is 210.7 secs Computing kpt #: 28 total cpu time spent up to now is 216.2 secs Computing kpt #: 29 total cpu time spent up to now is 221.2 secs Computing kpt #: 30 total cpu time spent up to now is 226.2 secs Computing kpt #: 31 total cpu time spent up to now is 231.0 secs Computing kpt #: 32 total cpu time spent up to now is 236.0 secs Computing kpt #: 33 total cpu time spent up to now is 241.0 secs Computing kpt #: 34 total cpu time spent up to now is 246.1 secs Computing kpt #: 35 total cpu time spent up to now is 251.3 secs Computing kpt #: 36 total cpu time spent up to now is 257.2 secs Computing kpt #: 37 total cpu time spent up to now is 262.4 secs Computing kpt #: 38 total cpu time spent up to now is 267.7 secs Computing kpt #: 39 total cpu time spent up to now is 273.4 secs Computing kpt #: 40 total cpu time spent up to now is 279.0 secs Computing kpt #: 41 total cpu time spent up to now is 284.8 secs Computing kpt #: 42 total cpu time spent up to now is 290.8 secs Computing kpt #: 43 total cpu time spent up to now is 297.3 secs Computing kpt #: 44 total cpu time spent up to now is 305.1 secs Computing kpt #: 45 total cpu time spent up to now is 313.8 secs Computing kpt #: 46 total cpu time spent up to now is 322.6 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.1 secs Computing kpt #: 48 total cpu time spent up to now is 340.9 secs Computing kpt #: 49 total cpu time spent up to now is 347.3 secs Computing kpt #: 50 total cpu time spent up to now is 353.4 secs Computing kpt #: 51 total cpu time spent up to now is 359.3 secs Computing kpt #: 52 total cpu time spent up to now is 365.3 secs Computing kpt #: 53 total cpu time spent up to now is 370.7 secs Computing kpt #: 54 total cpu time spent up to now is 376.0 secs Computing kpt #: 55 total cpu time spent up to now is 381.3 secs Computing kpt #: 56 total cpu time spent up to now is 386.4 secs Computing kpt #: 57 total cpu time spent up to now is 391.7 secs Computing kpt #: 58 total cpu time spent up to now is 396.6 secs Computing kpt #: 59 total cpu time spent up to now is 401.5 secs Computing kpt #: 60 total cpu time spent up to now is 406.5 secs Computing kpt #: 61 total cpu time spent up to now is 410.9 secs Computing kpt #: 62 total cpu time spent up to now is 416.4 secs Computing kpt #: 63 total cpu time spent up to now is 421.3 secs Computing kpt #: 64 total cpu time spent up to now is 426.3 secs Computing kpt #: 65 total cpu time spent up to now is 431.3 secs Computing kpt #: 66 total cpu time spent up to now is 436.6 secs Computing kpt #: 67 total cpu time spent up to now is 441.8 secs Computing kpt #: 68 total cpu time spent up to now is 448.1 secs Computing kpt #: 69 total cpu time spent up to now is 454.1 secs Computing kpt #: 70 total cpu time spent up to now is 461.4 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.2 secs Computing kpt #: 72 total cpu time spent up to now is 481.2 secs Computing kpt #: 73 total cpu time spent up to now is 489.2 secs Computing kpt #: 74 total cpu time spent up to now is 496.3 secs Computing kpt #: 75 total cpu time spent up to now is 503.6 secs Computing kpt #: 76 total cpu time spent up to now is 510.5 secs Computing kpt #: 77 total cpu time spent up to now is 517.8 secs Computing kpt #: 78 total cpu time spent up to now is 524.1 secs Computing kpt #: 79 total cpu time spent up to now is 529.9 secs Computing kpt #: 80 total cpu time spent up to now is 535.9 secs Computing kpt #: 81 total cpu time spent up to now is 542.3 secs Computing kpt #: 82 total cpu time spent up to now is 548.6 secs Computing kpt #: 83 total cpu time spent up to now is 555.0 secs Computing kpt #: 84 total cpu time spent up to now is 562.1 secs Computing kpt #: 85 total cpu time spent up to now is 569.4 secs Computing kpt #: 86 total cpu time spent up to now is 577.7 secs Computing kpt #: 87 total cpu time spent up to now is 586.1 secs Computing kpt #: 88 total cpu time spent up to now is 594.8 secs Computing kpt #: 89 total cpu time spent up to now is 604.7 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.5 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.2 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 648.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.5 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 702.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.7 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 733.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 743.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 753.1 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 784.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 817.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.6 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 858.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 868.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 900.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 911.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.7 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.2 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 952.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 963.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.5 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 984.8 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.6 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1036.6 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.9 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1057.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1067.8 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1077.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1087.8 secs Computing kpt #: 136 total cpu time spent up to now is 1096.9 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1107.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1118.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1128.0 secs Computing kpt #: 140 total cpu time spent up to now is 1136.5 secs Computing kpt #: 141 total cpu time spent up to now is 1145.0 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1155.3 secs Computing kpt #: 143 total cpu time spent up to now is 1163.7 secs Computing kpt #: 144 total cpu time spent up to now is 1170.6 secs Computing kpt #: 145 total cpu time spent up to now is 1176.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1186.9 secs Computing kpt #: 147 total cpu time spent up to now is 1193.3 secs Computing kpt #: 148 total cpu time spent up to now is 1201.7 secs Computing kpt #: 149 total cpu time spent up to now is 1208.0 secs Computing kpt #: 150 total cpu time spent up to now is 1214.5 secs Computing kpt #: 151 total cpu time spent up to now is 1220.1 secs Computing kpt #: 152 total cpu time spent up to now is 1225.6 secs Computing kpt #: 153 total cpu time spent up to now is 1231.3 secs Computing kpt #: 154 total cpu time spent up to now is 1238.0 secs Computing kpt #: 155 total cpu time spent up to now is 1244.5 secs Computing kpt #: 156 total cpu time spent up to now is 1250.4 secs Computing kpt #: 157 total cpu time spent up to now is 1256.3 secs Computing kpt #: 158 total cpu time spent up to now is 1262.2 secs Computing kpt #: 159 total cpu time spent up to now is 1268.1 secs Computing kpt #: 160 total cpu time spent up to now is 1273.6 secs Computing kpt #: 161 total cpu time spent up to now is 1278.7 secs Computing kpt #: 162 total cpu time spent up to now is 1284.0 secs Computing kpt #: 163 total cpu time spent up to now is 1289.1 secs Computing kpt #: 164 total cpu time spent up to now is 1294.2 secs Computing kpt #: 165 total cpu time spent up to now is 1299.3 secs Computing kpt #: 166 total cpu time spent up to now is 1304.4 secs Computing kpt #: 167 total cpu time spent up to now is 1309.2 secs Computing kpt #: 168 total cpu time spent up to now is 1314.5 secs Computing kpt #: 169 total cpu time spent up to now is 1319.8 secs Computing kpt #: 170 total cpu time spent up to now is 1325.0 secs Computing kpt #: 171 total cpu time spent up to now is 1330.1 secs Computing kpt #: 172 total cpu time spent up to now is 1335.4 secs Computing kpt #: 173 total cpu time spent up to now is 1340.5 secs Computing kpt #: 174 total cpu time spent up to now is 1346.3 secs Computing kpt #: 175 total cpu time spent up to now is 1352.4 secs Computing kpt #: 176 total cpu time spent up to now is 1358.1 secs Computing kpt #: 177 total cpu time spent up to now is 1364.0 secs Computing kpt #: 178 total cpu time spent up to now is 1369.8 secs Computing kpt #: 179 total cpu time spent up to now is 1377.3 secs Computing kpt #: 180 total cpu time spent up to now is 1384.8 secs Computing kpt #: 181 total cpu time spent up to now is 1391.6 secs Computing kpt #: 182 total cpu time spent up to now is 1397.7 secs Computing kpt #: 183 total cpu time spent up to now is 1403.7 secs Computing kpt #: 184 total cpu time spent up to now is 1409.5 secs Computing kpt #: 185 total cpu time spent up to now is 1416.2 secs Computing kpt #: 186 total cpu time spent up to now is 1421.4 secs Computing kpt #: 187 total cpu time spent up to now is 1426.6 secs Computing kpt #: 188 total cpu time spent up to now is 1431.8 secs Computing kpt #: 189 total cpu time spent up to now is 1436.9 secs Computing kpt #: 190 total cpu time spent up to now is 1441.9 secs Computing kpt #: 191 total cpu time spent up to now is 1446.8 secs Computing kpt #: 192 total cpu time spent up to now is 1451.6 secs Computing kpt #: 193 total cpu time spent up to now is 1456.0 secs Computing kpt #: 194 total cpu time spent up to now is 1460.6 secs Computing kpt #: 195 total cpu time spent up to now is 1465.1 secs Computing kpt #: 196 total cpu time spent up to now is 1469.8 secs Computing kpt #: 197 total cpu time spent up to now is 1474.7 secs Computing kpt #: 198 total cpu time spent up to now is 1479.5 secs Computing kpt #: 199 total cpu time spent up to now is 1484.5 secs Computing kpt #: 200 total cpu time spent up to now is 1489.5 secs Computing kpt #: 201 total cpu time spent up to now is 1494.7 secs Computing kpt #: 202 total cpu time spent up to now is 1499.7 secs Computing kpt #: 203 total cpu time spent up to now is 1504.9 secs Computing kpt #: 204 total cpu time spent up to now is 1510.4 secs Computing kpt #: 205 total cpu time spent up to now is 1516.4 secs Computing kpt #: 206 total cpu time spent up to now is 1521.8 secs Computing kpt #: 207 total cpu time spent up to now is 1527.0 secs Computing kpt #: 208 total cpu time spent up to now is 1532.7 secs Computing kpt #: 209 total cpu time spent up to now is 1538.0 secs Computing kpt #: 210 total cpu time spent up to now is 1543.8 secs Computing kpt #: 211 total cpu time spent up to now is 1549.5 secs Computing kpt #: 212 total cpu time spent up to now is 1555.7 secs Computing kpt #: 213 total cpu time spent up to now is 1561.4 secs Computing kpt #: 214 total cpu time spent up to now is 1567.3 secs Computing kpt #: 215 total cpu time spent up to now is 1573.9 secs Computing kpt #: 216 total cpu time spent up to now is 1579.9 secs Computing kpt #: 217 total cpu time spent up to now is 1586.1 secs Computing kpt #: 218 total cpu time spent up to now is 1592.3 secs Computing kpt #: 219 total cpu time spent up to now is 1598.4 secs Computing kpt #: 220 total cpu time spent up to now is 1604.1 secs Computing kpt #: 221 total cpu time spent up to now is 1609.7 secs Computing kpt #: 222 total cpu time spent up to now is 1615.3 secs ethr = 1.43E-11, avg # of iterations = 65.8 total cpu time spent up to now is 1615.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4097 -7.4097 -6.3040 -6.3040 -6.3009 -6.3009 -6.3009 -6.3009 0.8407 0.8407 0.8407 0.8407 1.4148 1.4148 2.4537 2.4537 2.5013 2.5013 2.5013 2.5013 2.9225 2.9225 3.0328 3.0328 3.0328 3.0328 3.5551 3.5551 3.5551 3.5551 3.5827 3.5827 3.5827 3.5827 3.6160 3.6160 4.0557 4.0557 4.1149 4.1149 4.1149 4.1149 4.1944 4.1944 4.1944 4.1944 4.2552 4.2552 4.7854 4.7854 4.8710 4.8710 4.9483 4.9483 4.9483 4.9483 5.9308 5.9308 5.9308 5.9308 5.9564 5.9564 7.4103 7.4103 7.4103 7.4103 8.0067 8.0067 8.2169 8.2169 8.2169 8.2169 8.8957 8.8957 11.0514 11.0546 k = 0.0000 0.0172-0.0000 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4090 -7.4090 -6.3044 -6.3044 -6.3014 -6.3014 -6.3009 -6.3009 0.8411 0.8411 0.8423 0.8423 1.4158 1.4158 2.4534 2.4534 2.5003 2.5003 2.5018 2.5018 2.9219 2.9219 3.0313 3.0313 3.0329 3.0329 3.5411 3.5411 3.5567 3.5567 3.5790 3.5790 3.5952 3.5952 3.6183 3.6183 4.0551 4.0551 4.1070 4.1070 4.1222 4.1222 4.1889 4.1889 4.2004 4.2004 4.2554 4.2554 4.7855 4.7855 4.8708 4.8708 4.9449 4.9449 4.9509 4.9509 5.9289 5.9289 5.9313 5.9313 5.9555 5.9555 7.4105 7.4105 7.4110 7.4110 8.0053 8.0053 8.2121 8.2121 8.2167 8.2167 8.9063 8.9063 11.0509 11.0513 k = 0.0000 0.0345-0.0000 ( 6603 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4071 -7.4071 -6.3061 -6.3061 -6.3023 -6.3023 -6.3008 -6.3008 0.8433 0.8433 0.8460 0.8460 1.4186 1.4186 2.4524 2.4524 2.4984 2.4984 2.5025 2.5025 2.9202 2.9202 3.0279 3.0279 3.0322 3.0322 3.5179 3.5179 3.5573 3.5573 3.5786 3.5786 3.6042 3.6042 3.6294 3.6294 4.0532 4.0532 4.0991 4.0991 4.1285 4.1285 4.1841 4.1841 4.2068 4.2068 4.2562 4.2562 4.7858 4.7858 4.8704 4.8704 4.9405 4.9405 4.9525 4.9525 5.9236 5.9236 5.9316 5.9316 5.9535 5.9535 7.4111 7.4111 7.4129 7.4129 8.0011 8.0011 8.1988 8.1988 8.2162 8.2162 8.9367 8.9367 11.0470 11.0470 k = 0.0000 0.0517-0.0000 ( 6579 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4039 -7.4039 -6.3101 -6.3101 -6.3025 -6.3025 -6.3008 -6.3008 0.8472 0.8472 0.8521 0.8521 1.4232 1.4232 2.4505 2.4505 2.4956 2.4956 2.5037 2.5037 2.9171 2.9171 3.0226 3.0226 3.0308 3.0308 3.4916 3.4916 3.5580 3.5580 3.5786 3.5786 3.6061 3.6061 3.6478 3.6478 4.0498 4.0498 4.0918 4.0918 4.1332 4.1332 4.1802 4.1802 4.2134 4.2134 4.2579 4.2579 4.7862 4.7862 4.8696 4.8696 4.9353 4.9353 4.9533 4.9533 5.9141 5.9141 5.9320 5.9320 5.9513 5.9513 7.4119 7.4119 7.4162 7.4162 7.9936 7.9936 8.1803 8.1803 8.2153 8.2153 8.9842 8.9842 11.0404 11.0404 k = 0.0000 0.0690-0.0000 ( 6571 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3995 -7.3995 -6.3160 -6.3160 -6.3026 -6.3026 -6.3007 -6.3007 0.8526 0.8526 0.8605 0.8605 1.4297 1.4297 2.4468 2.4468 2.4925 2.4925 2.5052 2.5052 2.9125 2.9125 3.0154 3.0154 3.0289 3.0289 3.4635 3.4635 3.5587 3.5587 3.5788 3.5788 3.6058 3.6058 3.6677 3.6677 4.0447 4.0447 4.0855 4.0855 4.1355 4.1355 4.1777 4.1777 4.2196 4.2196 4.2608 4.2608 4.7867 4.7867 4.8686 4.8686 4.9293 4.9293 4.9534 4.9534 5.8999 5.8999 5.9325 5.9325 5.9491 5.9491 7.4128 7.4128 7.4206 7.4206 7.9823 7.9823 8.1602 8.1602 8.2139 8.2139 9.0455 9.0455 11.0326 11.0326 k = 0.0000 0.0862-0.0000 ( 6575 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3938 -7.3938 -6.3236 -6.3236 -6.3025 -6.3025 -6.3006 -6.3006 0.8596 0.8596 0.8713 0.8713 1.4380 1.4380 2.4408 2.4408 2.4900 2.4900 2.5071 2.5071 2.9061 2.9061 3.0069 3.0069 3.0264 3.0264 3.4336 3.4336 3.5593 3.5593 3.5793 3.5793 3.6048 3.6048 3.6877 3.6877 4.0380 4.0380 4.0804 4.0804 4.1349 4.1349 4.1771 4.1771 4.2247 4.2247 4.2655 4.2655 4.7872 4.7872 4.8672 4.8672 4.9227 4.9227 4.9529 4.9529 5.8813 5.8813 5.9331 5.9331 5.9472 5.9472 7.4136 7.4136 7.4260 7.4260 7.9669 7.9669 8.1415 8.1415 8.2121 8.2121 9.1175 9.1175 11.0248 11.0248 k = 0.0000 0.1034-0.0000 ( 6567 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3868 -7.3868 -6.3329 -6.3329 -6.3024 -6.3024 -6.3004 -6.3004 0.8681 0.8681 0.8843 0.8843 1.4481 1.4481 2.4318 2.4318 2.4886 2.4886 2.5095 2.5095 2.8976 2.8976 2.9974 2.9974 3.0235 3.0235 3.4020 3.4020 3.5598 3.5598 3.5802 3.5802 3.6033 3.6033 3.7073 3.7073 4.0301 4.0301 4.0765 4.0765 4.1312 4.1312 4.1784 4.1784 4.2285 4.2285 4.2722 4.2722 4.7877 4.7877 4.8656 4.8656 4.9156 4.9156 4.9519 4.9519 5.8588 5.8588 5.9337 5.9337 5.9454 5.9454 7.4141 7.4141 7.4325 7.4325 7.9478 7.9478 8.1258 8.1258 8.2097 8.2097 9.1980 9.1980 11.0176 11.0176 k = 0.0000 0.1207-0.0000 ( 6575 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3787 -7.3787 -6.3438 -6.3438 -6.3022 -6.3022 -6.3003 -6.3003 0.8780 0.8780 0.8997 0.8997 1.4600 1.4600 2.4197 2.4197 2.4884 2.4884 2.5122 2.5122 2.8866 2.8866 2.9876 2.9876 3.0200 3.0200 3.3689 3.3689 3.5598 3.5598 3.5815 3.5815 3.6016 3.6016 3.7265 3.7265 4.0216 4.0216 4.0732 4.0732 4.1251 4.1251 4.1810 4.1810 4.2309 4.2309 4.2808 4.2808 4.7881 4.7881 4.8636 4.8636 4.9084 4.9084 4.9506 4.9506 5.8330 5.8330 5.9344 5.9344 5.9436 5.9436 7.4141 7.4141 7.4398 7.4398 7.9262 7.9262 8.1134 8.1134 8.2067 8.2067 9.2852 9.2852 11.0118 11.0118 k = 0.0000 0.1379-0.0000 ( 6563 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3693 -7.3693 -6.3563 -6.3563 -6.3020 -6.3020 -6.3001 -6.3001 0.8893 0.8893 0.9172 0.9172 1.4737 1.4737 2.4047 2.4047 2.4894 2.4894 2.5153 2.5153 2.8726 2.8726 2.9781 2.9781 3.0160 3.0160 3.3340 3.3340 3.5595 3.5595 3.5833 3.5833 3.5997 3.5997 3.7451 3.7451 4.0128 4.0128 4.0705 4.0705 4.1174 4.1174 4.1843 4.1843 4.2323 4.2323 4.2907 4.2907 4.7884 4.7884 4.8614 4.8614 4.9012 4.9012 4.9491 4.9491 5.8043 5.8043 5.9349 5.9349 5.9417 5.9417 7.4132 7.4132 7.4478 7.4478 7.9037 7.9037 8.1038 8.1038 8.2031 8.2031 9.3776 9.3776 11.0078 11.0078 k = 0.0000 0.1552-0.0000 ( 6579 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3588 -7.3588 -6.3702 -6.3702 -6.3018 -6.3018 -6.2999 -6.2999 0.9020 0.9020 0.9369 0.9369 1.4892 1.4892 2.3871 2.3871 2.4912 2.4912 2.5188 2.5188 2.8556 2.8556 2.9691 2.9691 3.0115 3.0115 3.2975 3.2975 3.5588 3.5588 3.5853 3.5853 3.5978 3.5978 3.7630 3.7630 4.0043 4.0043 4.0680 4.0680 4.1085 4.1085 4.1876 4.1876 4.2329 4.2329 4.3015 4.3015 4.7886 4.7886 4.8589 4.8589 4.8943 4.8943 4.9475 4.9475 5.7733 5.7733 5.9352 5.9352 5.9398 5.9398 7.4113 7.4113 7.4564 7.4564 7.8815 7.8815 8.0961 8.0961 8.1987 8.1987 9.4742 9.4742 11.0059 11.0059 k = 0.0000 0.1724-0.0000 ( 6547 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3471 -7.3471 -6.3854 -6.3854 -6.3015 -6.3015 -6.2997 -6.2997 0.9160 0.9160 0.9588 0.9588 1.5064 1.5064 2.3671 2.3671 2.4939 2.4939 2.5226 2.5226 2.8355 2.8355 2.9609 2.9609 3.0065 3.0065 3.2595 3.2595 3.5578 3.5578 3.5873 3.5873 3.5963 3.5963 3.7803 3.7803 3.9964 3.9964 4.0657 4.0657 4.0990 4.0990 4.1908 4.1908 4.2332 4.2332 4.3128 4.3128 4.7885 4.7885 4.8562 4.8562 4.8881 4.8881 4.9460 4.9460 5.7403 5.7403 5.9348 5.9348 5.9385 5.9385 7.4083 7.4083 7.4655 7.4655 7.8607 7.8607 8.0896 8.0896 8.1937 8.1937 9.5741 9.5741 11.0062 11.0062 k = 0.0000 0.1897-0.0000 ( 6547 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.3344 -7.3344 -6.4020 -6.4020 -6.3012 -6.3012 -6.2995 -6.2995 0.9311 0.9311 0.9826 0.9826 1.5253 1.5253 2.3448 2.3448 2.4970 2.4970 2.5266 2.5266 2.8125 2.8125 2.9534 2.9534 3.0010 3.0010 3.2200 3.2200 3.5566 3.5566 3.5882 3.5882 3.5960 3.5960 3.7966 3.7966 3.9893 3.9893 4.0634 4.0634 4.0891 4.0891 4.1936 4.1936 4.2332 4.2332 4.3242 4.3242 4.7883 4.7883 4.8531 4.8531 4.8829 4.8829 4.9446 4.9446 5.7059 5.7059 5.9331 5.9331 5.9382 5.9382 7.4041 7.4041 7.4747 7.4747 7.8420 7.8420 8.0838 8.0838 8.1880 8.1880 9.6765 9.6765 11.0090 11.0090 k = 0.0000 0.2069-0.0000 ( 6539 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.3206 -7.3206 -6.4198 -6.4198 -6.3010 -6.3010 -6.2993 -6.2993 0.9473 0.9473 1.0084 1.0084 1.5458 1.5458 2.3205 2.3205 2.5005 2.5005 2.5309 2.5309 2.7872 2.7872 2.9467 2.9467 2.9951 2.9951 3.1792 3.1792 3.5552 3.5552 3.5872 3.5872 3.5976 3.5976 3.8119 3.8119 3.9833 3.9833 4.0610 4.0610 4.0791 4.0791 4.1957 4.1957 4.2329 4.2329 4.3356 4.3356 4.7881 4.7881 4.8496 4.8496 4.8790 4.8790 4.9434 4.9434 5.6703 5.6703 5.9307 5.9307 5.9383 5.9383 7.3987 7.3987 7.4842 7.4842 7.8258 7.8258 8.0783 8.0783 8.1816 8.1816 9.7805 9.7805 11.0142 11.0142 k = 0.0000 0.2241-0.0000 ( 6543 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.3059 -7.3059 -6.4387 -6.4387 -6.3007 -6.3007 -6.2991 -6.2991 0.9645 0.9645 1.0360 1.0360 1.5679 1.5679 2.2942 2.2942 2.5044 2.5044 2.5352 2.5352 2.7599 2.7599 2.9405 2.9405 2.9884 2.9884 3.1375 3.1375 3.5538 3.5538 3.5853 3.5853 3.6003 3.6003 3.8258 3.8258 3.9787 3.9787 4.0584 4.0584 4.0692 4.0692 4.1972 4.1972 4.2325 4.2325 4.3466 4.3466 4.7877 4.7877 4.8458 4.8458 4.8765 4.8765 4.9424 4.9424 5.6339 5.6339 5.9280 5.9280 5.9384 5.9384 7.3922 7.3922 7.4936 7.4936 7.8120 7.8120 8.0730 8.0730 8.1746 8.1746 9.8855 9.8855 11.0216 11.0216 k = 0.0000 0.2414-0.0000 ( 6543 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.2902 -7.2902 -6.4585 -6.4585 -6.3004 -6.3004 -6.2989 -6.2989 0.9825 0.9825 1.0654 1.0654 1.5916 1.5916 2.2661 2.2661 2.5085 2.5085 2.5398 2.5398 2.7310 2.7310 2.9347 2.9347 2.9808 2.9808 3.0953 3.0953 3.5523 3.5523 3.5830 3.5830 3.6034 3.6034 3.8380 3.8380 3.9759 3.9759 4.0547 4.0547 4.0607 4.0607 4.1978 4.1978 4.2320 4.2320 4.3572 4.3572 4.7875 4.7875 4.8418 4.8418 4.8754 4.8754 4.9417 4.9417 5.5972 5.5972 5.9250 5.9250 5.9386 5.9386 7.3849 7.3849 7.5029 7.5029 7.8007 7.8007 8.0677 8.0677 8.1670 8.1670 9.9907 9.9907 11.0312 11.0312 k = 0.0000 0.2586-0.0000 ( 6543 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.2736 -7.2736 -6.4793 -6.4793 -6.3001 -6.3001 -6.2986 -6.2986 1.0013 1.0013 1.0964 1.0964 1.6167 1.6167 2.2364 2.2364 2.5128 2.5128 2.5443 2.5443 2.7008 2.7008 2.9292 2.9292 2.9713 2.9713 3.0540 3.0540 3.5507 3.5507 3.5806 3.5806 3.6065 3.6065 3.8481 3.8481 3.9751 3.9751 4.0475 4.0475 4.0562 4.0562 4.1977 4.1977 4.2315 4.2315 4.3672 4.3672 4.7874 4.7874 4.8379 4.8379 4.8758 4.8758 4.9413 4.9413 5.5604 5.5604 5.9218 5.9218 5.9386 5.9386 7.3769 7.3769 7.5120 7.5120 7.7915 7.7915 8.0624 8.0624 8.1590 8.1590 10.0954 10.0954 11.0427 11.0427 k = 0.0000 0.2759-0.0000 ( 6551 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.2563 -7.2563 -6.5008 -6.5008 -6.2998 -6.2998 -6.2984 -6.2984 1.0206 1.0206 1.1290 1.1290 1.6431 1.6431 2.2051 2.2051 2.5172 2.5172 2.5489 2.5489 2.6700 2.6700 2.9236 2.9236 2.9571 2.9571 3.0166 3.0166 3.5492 3.5492 3.5781 3.5781 3.6097 3.6097 3.8558 3.8558 3.9765 3.9765 4.0387 4.0387 4.0538 4.0538 4.1968 4.1968 4.2308 4.2308 4.3764 4.3764 4.7876 4.7876 4.8342 4.8342 4.8773 4.8773 4.9413 4.9413 5.5238 5.5238 5.9186 5.9186 5.9385 5.9385 7.3684 7.3684 7.5208 7.5208 7.7843 7.7843 8.0569 8.0569 8.1506 8.1506 10.1989 10.1989 11.0559 11.0559 k = 0.0000 0.2931-0.0000 ( 6551 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.2383 -7.2383 -6.5229 -6.5229 -6.2995 -6.2995 -6.2982 -6.2982 1.0402 1.0402 1.1630 1.1630 1.6708 1.6708 2.1725 2.1725 2.5217 2.5217 2.5534 2.5534 2.6389 2.6389 2.9158 2.9158 2.9345 2.9345 2.9900 2.9900 3.5477 3.5477 3.5757 3.5757 3.6128 3.6128 3.8610 3.8610 3.9800 3.9800 4.0301 4.0301 4.0521 4.0521 4.1952 4.1952 4.2301 4.2301 4.3847 4.3847 4.7882 4.7882 4.8308 4.8308 4.8799 4.8799 4.9416 4.9416 5.4877 5.4877 5.9153 5.9153 5.9384 5.9384 7.3599 7.3599 7.5292 7.5292 7.7787 7.7787 8.0515 8.0515 8.1420 8.1420 10.3003 10.3003 11.0703 11.0703 k = 0.0000 0.3103-0.0000 ( 6555 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.2197 -7.2197 -6.5454 -6.5454 -6.2992 -6.2992 -6.2980 -6.2980 1.0600 1.0600 1.1982 1.1982 1.6996 1.6996 2.1385 2.1385 2.5261 2.5261 2.5576 2.5576 2.6080 2.6080 2.8887 2.8887 2.9197 2.9197 2.9746 2.9746 3.5463 3.5463 3.5734 3.5734 3.6157 3.6157 3.8641 3.8641 3.9849 3.9849 4.0220 4.0220 4.0511 4.0511 4.1930 4.1930 4.2294 4.2294 4.3921 4.3921 4.7891 4.7891 4.8279 4.8279 4.8836 4.8836 4.9425 4.9425 5.4522 5.4522 5.9121 5.9121 5.9382 5.9382 7.3514 7.3514 7.5371 7.5371 7.7745 7.7745 8.0460 8.0460 8.1333 8.1333 10.3989 10.3989 11.0856 11.0856 k = 0.0000 0.3276-0.0000 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.2007 -7.2007 -6.5682 -6.5682 -6.2989 -6.2989 -6.2978 -6.2978 1.0797 1.0797 1.2344 1.2344 1.7293 1.7293 2.1035 2.1035 2.5304 2.5304 2.5608 2.5608 2.5785 2.5785 2.8473 2.8473 2.9146 2.9146 2.9645 2.9645 3.5450 3.5450 3.5712 3.5712 3.6185 3.6185 3.8654 3.8654 3.9903 3.9903 4.0148 4.0148 4.0511 4.0511 4.1904 4.1904 4.2285 4.2285 4.3984 4.3984 4.7903 4.7903 4.8253 4.8253 4.8880 4.8880 4.9440 4.9440 5.4175 5.4175 5.9089 5.9089 5.9379 5.9379 7.3432 7.3432 7.5445 7.5445 7.7714 7.7714 8.0406 8.0406 8.1247 8.1247 10.4939 10.4939 11.1012 11.1012 k = 0.0000 0.3448-0.0000 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1814 -7.1814 -6.5910 -6.5910 -6.2986 -6.2986 -6.2976 -6.2976 1.0990 1.0990 1.2716 1.2716 1.7596 1.7596 2.0676 2.0676 2.5337 2.5337 2.5468 2.5468 2.5678 2.5678 2.8035 2.8035 2.9109 2.9109 2.9564 2.9564 3.5438 3.5438 3.5692 3.5692 3.6211 3.6211 3.8655 3.8655 3.9947 3.9947 4.0088 4.0088 4.0526 4.0526 4.1874 4.1874 4.2277 4.2277 4.4036 4.4036 4.7919 4.7919 4.8232 4.8232 4.8930 4.8930 4.9465 4.9465 5.3840 5.3840 5.9058 5.9058 5.9376 5.9376 7.3354 7.3354 7.5513 7.5513 7.7691 7.7691 8.0354 8.0354 8.1163 8.1163 10.5844 10.5844 11.1164 11.1164 k = 0.0000 0.3621-0.0000 ( 6543 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1621 -7.1621 -6.6136 -6.6136 -6.2984 -6.2984 -6.2974 -6.2974 1.1176 1.1176 1.3095 1.3095 1.7902 1.7902 2.0310 2.0310 2.5172 2.5172 2.5396 2.5396 2.5708 2.5708 2.7597 2.7597 2.9080 2.9080 2.9492 2.9492 3.5427 3.5427 3.5673 3.5673 3.6236 3.6236 3.8648 3.8648 3.9956 3.9956 4.0058 4.0058 4.0560 4.0560 4.1844 4.1844 4.2269 4.2269 4.4077 4.4077 4.7938 4.7938 4.8213 4.8213 4.8982 4.8982 4.9501 4.9501 5.3517 5.3517 5.9029 5.9029 5.9373 5.9373 7.3283 7.3283 7.5574 7.5574 7.7674 7.7674 8.0304 8.0304 8.1083 8.1083 10.6698 10.6698 11.1306 11.1306 k = 0.0000 0.3793-0.0000 ( 6543 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1431 -7.1431 -6.6356 -6.6356 -6.2982 -6.2982 -6.2973 -6.2973 1.1352 1.1352 1.3478 1.3478 1.8206 1.8206 1.9940 1.9940 2.4913 2.4913 2.5425 2.5425 2.5741 2.5741 2.7171 2.7171 2.9057 2.9057 2.9426 2.9426 3.5417 3.5417 3.5655 3.5655 3.6257 3.6257 3.8636 3.8636 3.9925 3.9925 4.0060 4.0060 4.0610 4.0610 4.1811 4.1811 4.2261 4.2261 4.4108 4.4108 4.7958 4.7958 4.8198 4.8198 4.9030 4.9030 4.9553 4.9553 5.3209 5.3209 5.9002 5.9002 5.9370 5.9370 7.3218 7.3218 7.5629 7.5629 7.7662 7.7662 8.0258 8.0258 8.1009 8.1009 10.7492 10.7492 11.1431 11.1431 k = 0.0000 0.3966-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1246 -7.1246 -6.6568 -6.6568 -6.2979 -6.2979 -6.2971 -6.2971 1.1515 1.1515 1.3861 1.3861 1.8500 1.8500 1.9573 1.9573 2.4672 2.4672 2.5449 2.5449 2.5769 2.5769 2.6770 2.6770 2.9041 2.9041 2.9365 2.9365 3.5409 3.5409 3.5640 3.5640 3.6277 3.6277 3.8622 3.8622 3.9884 3.9884 4.0065 4.0065 4.0673 4.0673 4.1780 4.1780 4.2254 4.2254 4.4130 4.4130 4.7980 4.7980 4.8184 4.8184 4.9072 4.9072 4.9623 4.9623 5.2918 5.2918 5.8978 5.8978 5.9367 5.9367 7.3161 7.3161 7.5677 7.5677 7.7655 7.7655 8.0216 8.0216 8.0941 8.0941 10.8221 10.8221 11.1530 11.1530 k = 0.0000 0.4138-0.0000 ( 6524 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1071 -7.1071 -6.6766 -6.6766 -6.2977 -6.2977 -6.2970 -6.2970 1.1661 1.1661 1.4239 1.4239 1.8761 1.8761 1.9229 1.9229 2.4459 2.4459 2.5460 2.5460 2.5793 2.5793 2.6408 2.6408 2.9030 2.9030 2.9308 2.9308 3.5401 3.5401 3.5626 3.5626 3.6294 3.6294 3.8608 3.8608 3.9846 3.9846 4.0065 4.0065 4.0739 4.0739 4.1750 4.1750 4.2247 4.2247 4.4144 4.4144 4.8002 4.8002 4.8171 4.8171 4.9105 4.9105 4.9708 4.9708 5.2648 5.2648 5.8957 5.8957 5.9364 5.9364 7.3112 7.3112 7.5718 7.5718 7.7649 7.7649 8.0179 8.0179 8.0881 8.0881 10.8879 10.8879 11.1595 11.1595 k = 0.0000 0.4310-0.0000 ( 6524 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0911 -7.0911 -6.6945 -6.6945 -6.2976 -6.2976 -6.2969 -6.2969 1.1787 1.1787 1.4605 1.4605 1.8765 1.8765 1.9131 1.9131 2.4277 2.4277 2.5440 2.5440 2.5808 2.5808 2.6114 2.6114 2.9026 2.9026 2.9257 2.9257 3.5395 3.5395 3.5615 3.5615 3.6308 3.6308 3.8596 3.8596 3.9814 3.9814 4.0060 4.0060 4.0803 4.0803 4.1723 4.1723 4.2241 4.2241 4.4153 4.4153 4.8024 4.8024 4.8159 4.8159 4.9128 4.9128 4.9804 4.9804 5.2404 5.2404 5.8938 5.8938 5.9361 5.9361 7.3071 7.3071 7.5752 7.5752 7.7646 7.7646 8.0148 8.0148 8.0830 8.0830 10.9463 10.9463 11.1620 11.1620 k = 0.0000 0.4483-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0775 -7.0775 -6.7097 -6.7097 -6.2975 -6.2975 -6.2969 -6.2969 1.1888 1.1888 1.4946 1.4946 1.8468 1.8468 1.9321 1.9321 2.4131 2.4131 2.5369 2.5369 2.5803 2.5803 2.5935 2.5935 2.9027 2.9027 2.9211 2.9211 3.5391 3.5391 3.5606 3.5606 3.6317 3.6317 3.8585 3.8585 3.9789 3.9789 4.0054 4.0054 4.0859 4.0859 4.1701 4.1701 4.2236 4.2236 4.4157 4.4157 4.8045 4.8045 4.8146 4.8146 4.9145 4.9145 4.9902 4.9902 5.2193 5.2193 5.8924 5.8924 5.9359 5.9359 7.3039 7.3039 7.5778 7.5778 7.7644 7.7644 8.0123 8.0123 8.0789 8.0789 10.9969 10.9969 11.1596 11.1596 k = 0.0000 0.4655-0.0000 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0669 -7.0669 -6.7214 -6.7214 -6.2974 -6.2974 -6.2968 -6.2968 1.1963 1.1963 1.5239 1.5239 1.8186 1.8186 1.9492 1.9492 2.4025 2.4025 2.5252 2.5252 2.5769 2.5769 2.5885 2.5885 2.9034 2.9034 2.9172 2.9172 3.5387 3.5387 3.5600 3.5600 3.6325 3.6325 3.8577 3.8577 3.9770 3.9770 4.0049 4.0049 4.0902 4.0902 4.1684 4.1684 4.2232 4.2232 4.4158 4.4158 4.8065 4.8065 4.8133 4.8133 4.9155 4.9155 4.9989 4.9989 5.2026 5.2026 5.8913 5.8913 5.9357 5.9357 7.3017 7.3017 7.5797 7.5797 7.7643 7.7643 8.0105 8.0105 8.0759 8.0759 11.0392 11.0392 11.1524 11.1524 k = 0.0000 0.4828-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0601 -7.0601 -6.7288 -6.7288 -6.2973 -6.2973 -6.2968 -6.2968 1.2009 1.2009 1.5449 1.5449 1.7982 1.7982 1.9604 1.9604 2.3960 2.3960 2.5152 2.5152 2.5748 2.5748 2.5880 2.5880 2.9044 2.9044 2.9143 2.9143 3.5385 3.5385 3.5596 3.5596 3.6330 3.6330 3.8571 3.8571 3.9759 3.9759 4.0046 4.0046 4.0929 4.0929 4.1674 4.1674 4.2231 4.2231 4.4159 4.4159 4.8083 4.8083 4.8120 4.8120 4.9161 4.9161 5.0052 5.0052 5.1917 5.1917 5.8907 5.8907 5.9356 5.9356 7.3003 7.3003 7.5808 7.5808 7.7642 7.7642 8.0094 8.0094 8.0741 8.0741 11.0716 11.0716 11.1412 11.1412 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0577 -7.0577 -6.7314 -6.7314 -6.2973 -6.2973 -6.2968 -6.2968 1.2025 1.2025 1.5527 1.5527 1.7905 1.7905 1.9644 1.9644 2.3938 2.3938 2.5114 2.5114 2.5742 2.5742 2.5879 2.5879 2.9049 2.9049 2.9132 2.9132 3.5385 3.5385 3.5594 3.5594 3.6332 3.6332 3.8570 3.8570 3.9756 3.9756 4.0045 4.0045 4.0939 4.0939 4.1670 4.1670 4.2230 4.2230 4.4159 4.4159 4.8094 4.8094 4.8111 4.8111 4.9163 4.9163 5.0075 5.0075 5.1879 5.1879 5.8905 5.8905 5.9356 5.9356 7.2999 7.2999 7.5812 7.5812 7.7642 7.7642 8.0091 8.0091 8.0735 8.0735 11.0864 11.0864 11.1335 11.1335 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0577 -7.0577 -6.7314 -6.7314 -6.2973 -6.2973 -6.2968 -6.2968 1.2025 1.2025 1.5527 1.5527 1.7905 1.7905 1.9644 1.9644 2.3938 2.3938 2.5114 2.5114 2.5742 2.5742 2.5879 2.5879 2.9049 2.9049 2.9132 2.9132 3.5385 3.5385 3.5594 3.5594 3.6332 3.6332 3.8570 3.8570 3.9756 3.9756 4.0045 4.0045 4.0939 4.0939 4.1670 4.1670 4.2230 4.2230 4.4159 4.4159 4.8094 4.8094 4.8111 4.8111 4.9163 4.9163 5.0075 5.0075 5.1879 5.1879 5.8905 5.8905 5.9356 5.9356 7.2999 7.2999 7.5812 7.5812 7.7642 7.7642 8.0091 8.0091 8.0735 8.0735 11.0864 11.0864 11.1335 11.1335 k = 0.0172 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0572 -7.0572 -6.7311 -6.7311 -6.2977 -6.2977 -6.2972 -6.2971 1.2014 1.2045 1.5523 1.5529 1.7897 1.7907 1.9629 1.9663 2.3911 2.3964 2.5031 2.5183 2.5691 2.5782 2.5883 2.5894 2.9043 2.9045 2.9126 2.9133 3.5322 3.5382 3.5525 3.5601 3.6341 3.6386 3.8559 3.8581 3.9703 3.9803 3.9914 4.0196 4.0912 4.0972 4.1649 4.1689 4.2154 4.2354 4.4146 4.4185 4.7911 4.8090 4.8114 4.8182 4.9160 4.9269 5.0048 5.0102 5.1861 5.1914 5.8888 5.8903 5.9330 5.9364 7.3007 7.3014 7.5807 7.5821 7.7644 7.7659 8.0072 8.0107 8.0731 8.0736 11.0857 11.0906 11.1354 11.1390 k = 0.0345 0.5000-0.0000 ( 6516 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0557 -7.0557 -6.7303 -6.7303 -6.2993 -6.2992 -6.2981 -6.2980 1.2014 1.2074 1.5516 1.5528 1.7882 1.7901 1.9620 1.9687 2.3883 2.3989 2.4941 2.5234 2.5647 2.5790 2.5918 2.5923 2.9022 2.9033 2.9120 2.9127 3.5205 3.5314 3.5411 3.5543 3.6409 3.6487 3.8552 3.8590 3.9656 3.9761 3.9886 4.0357 4.0900 4.0999 4.1594 4.1742 4.2148 4.2499 4.4149 4.4226 4.7675 4.8044 4.8115 4.8150 4.9287 4.9411 5.0024 5.0137 5.1862 5.1968 5.8853 5.8883 5.9287 5.9354 7.3038 7.3054 7.5808 7.5835 7.7663 7.7696 8.0044 8.0121 8.0723 8.0738 11.0885 11.0984 11.1446 11.1518 k = 0.0517 0.5000-0.0000 ( 6520 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0532 -7.0531 -6.7289 -6.7289 -6.3020 -6.3019 -6.2994 -6.2994 1.2023 1.2113 1.5506 1.5525 1.7859 1.7889 1.9616 1.9717 2.3854 2.4012 2.4847 2.5258 2.5617 2.5777 2.5950 2.5985 2.8987 2.9015 2.9112 2.9113 3.5049 3.5195 3.5262 3.5435 3.6510 3.6612 3.8548 3.8595 3.9616 3.9660 3.9930 4.0521 4.0906 4.1010 4.1507 4.1847 4.2202 4.2648 4.4171 4.4283 4.7421 4.7920 4.8101 4.8110 4.9480 4.9538 5.0019 5.0197 5.1880 5.2041 5.8800 5.8846 5.9227 5.9328 7.3092 7.3116 7.5815 7.5854 7.7698 7.7752 8.0001 8.0130 8.0716 8.0749 11.0949 11.1096 11.1611 11.1718 k = 0.0690 0.5000-0.0000 ( 6520 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0497 -7.0496 -6.7270 -6.7269 -6.3058 -6.3056 -6.3013 -6.3013 1.2042 1.2161 1.5494 1.5518 1.7829 1.7869 1.9619 1.9753 2.3823 2.4031 2.4751 2.5250 2.5604 2.5758 2.5991 2.6054 2.8938 2.8992 2.9087 2.9106 3.4867 3.5040 3.5084 3.5291 3.6628 3.6747 3.8550 3.8596 3.9571 3.9585 3.9974 4.0676 4.0935 4.1008 4.1407 4.2003 4.2291 4.2784 4.4222 4.4359 4.7162 4.7735 4.8066 4.8102 4.9615 4.9630 5.0087 5.0301 5.1918 5.2135 5.8730 5.8793 5.9154 5.9288 7.3167 7.3200 7.5830 7.5878 7.7746 7.7826 7.9935 8.0129 8.0718 8.0776 11.1046 11.1241 11.1847 11.1989 k = 0.0862 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0452 -7.0451 -6.7245 -6.7245 -6.3106 -6.3104 -6.3037 -6.3037 1.2069 1.2218 1.5479 1.5509 1.7791 1.7841 1.9628 1.9795 2.3789 2.4045 2.4656 2.5218 2.5603 2.5735 2.6044 2.6126 2.8876 2.8964 2.9054 2.9097 3.4665 3.4845 3.4899 3.5123 3.6750 3.6884 3.8557 3.8592 3.9498 3.9562 4.0013 4.0801 4.0999 4.0999 4.1308 4.2198 4.2397 4.2895 4.4307 4.4457 4.6905 4.7525 4.8031 4.8091 4.9632 4.9661 5.0276 5.0447 5.1979 5.2251 5.8644 5.8725 5.9071 5.9237 7.3262 7.3305 7.5854 7.5910 7.7802 7.7916 7.9844 8.0110 8.0739 8.0823 11.1176 11.1417 11.2154 11.2329 k = 0.1034 0.5000-0.0000 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0398 -7.0395 -6.7215 -6.7215 -6.3165 -6.3162 -6.3066 -6.3066 1.2106 1.2283 1.5461 1.5498 1.7745 1.7806 1.9645 1.9845 2.3754 2.4050 2.4568 2.5171 2.5605 2.5711 2.6108 2.6199 2.8803 2.8928 2.9015 2.9086 3.4448 3.4612 3.4717 3.4937 3.6871 3.7018 3.8569 3.8585 3.9443 3.9548 4.0050 4.0883 4.0990 4.1100 4.1220 4.2418 4.2512 4.2971 4.4434 4.4581 4.6653 4.7305 4.7991 4.8078 4.9604 4.9622 5.0516 5.0613 5.2072 5.2392 5.8543 5.8641 5.8986 5.9180 7.3374 7.3428 7.5890 7.5950 7.7862 7.8020 7.9730 8.0073 8.0784 8.0890 11.1337 11.1622 11.2529 11.2736 k = 0.1207 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0334 -7.0331 -6.7180 -6.7179 -6.3234 -6.3230 -6.3100 -6.3100 1.2151 1.2355 1.5441 1.5484 1.7691 1.7763 1.9671 1.9904 2.3715 2.4039 2.4495 2.5119 2.5604 2.5686 2.6181 2.6274 2.8720 2.8881 2.8973 2.9073 3.4221 3.4358 3.4531 3.4741 3.6989 3.7147 3.8575 3.8586 3.9404 3.9541 4.0083 4.0940 4.0985 4.1125 4.1230 4.2634 4.2653 4.3011 4.4599 4.4730 4.6407 4.7080 4.7946 4.8062 4.9545 4.9554 5.0742 5.0775 5.2211 5.2560 5.8428 5.8542 5.8905 5.9123 7.3501 7.3567 7.5939 7.6001 7.7919 7.8131 7.9601 8.0024 8.0852 8.0973 11.1525 11.1853 11.2970 11.3207 k = 0.1379 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0260 -7.0257 -6.7140 -6.7139 -6.3313 -6.3308 -6.3139 -6.3138 1.2205 1.2435 1.5418 1.5468 1.7629 1.7712 1.9708 1.9972 2.3672 2.4004 2.4444 2.5065 2.5601 2.5661 2.6261 2.6351 2.8626 2.8820 2.8933 2.9058 3.3986 3.4094 3.4340 3.4537 3.7100 3.7268 3.8567 3.8608 3.9378 3.9542 4.0116 4.0985 4.0986 4.1064 4.1328 4.2763 4.2892 4.3017 4.4796 4.4904 4.6173 4.6855 4.7895 4.8046 4.9464 4.9474 5.0918 5.0920 5.2405 5.2757 5.8300 5.8423 5.8841 5.9075 7.3639 7.3718 7.6004 7.6064 7.7962 7.8240 7.9471 7.9976 8.0939 8.1070 11.1737 11.2107 11.3474 11.3739 k = 0.1552 0.5000-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0177 -7.0174 -6.7095 -6.7094 -6.3401 -6.3396 -6.3183 -6.3182 1.2266 1.2520 1.5393 1.5449 1.7557 1.7653 1.9756 2.0051 2.3626 2.3943 2.4418 2.5012 2.5595 2.5638 2.6346 2.6428 2.8523 2.8743 2.8896 2.9040 3.3747 3.3825 3.4143 3.4329 3.7202 3.7380 3.8563 3.8633 3.9364 3.9549 4.0150 4.0987 4.0991 4.1054 4.1406 4.2903 4.2991 4.3138 4.5007 4.5101 4.5959 4.6632 4.7839 4.8029 4.9368 4.9387 5.1028 5.1035 5.2655 5.2980 5.8159 5.8287 5.8801 5.9043 7.3786 7.3880 7.6087 7.6143 7.7983 7.8328 7.9360 7.9944 8.1039 8.1176 11.1970 11.2377 11.4038 11.4328 k = 0.1724 0.5000-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0086 -7.0082 -6.7045 -6.7045 -6.3499 -6.3493 -6.3231 -6.3230 1.2334 1.2612 1.5366 1.5429 1.7477 1.7585 1.9818 2.0141 2.3575 2.3860 2.4414 2.4963 2.5587 2.5617 2.6434 2.6506 2.8410 2.8653 2.8860 2.9020 3.3505 3.3557 3.3940 3.4118 3.7295 3.7481 3.8566 3.8662 3.9358 3.9563 4.0185 4.0947 4.1003 4.1095 4.1458 4.2951 4.3053 4.3375 4.5189 4.5315 4.5799 4.6414 4.7777 4.8011 4.9260 4.9296 5.1090 5.1101 5.2946 5.3223 5.8005 5.8133 5.8793 5.9037 7.3938 7.4046 7.6191 7.6239 7.7971 7.8363 7.9304 7.9941 8.1149 8.1288 11.2219 11.2661 11.4656 11.4969 k = 0.1897 0.5000-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -6.9986 -6.9981 -6.6992 -6.6991 -6.3605 -6.3599 -6.3283 -6.3282 1.2409 1.2708 1.5337 1.5406 1.7387 1.7508 1.9894 2.0244 2.3520 2.3765 2.4423 2.4918 2.5580 2.5599 2.6524 2.6586 2.8288 2.8550 2.8827 2.8999 3.3264 3.3293 3.3732 3.3904 3.7377 3.7573 3.8578 3.8693 3.9357 3.9583 4.0223 4.0913 4.1020 4.1137 4.1488 4.2894 4.3215 4.3607 4.5231 4.5536 4.5798 4.6206 4.7710 4.7993 4.9145 4.9205 5.1093 5.1135 5.3257 5.3478 5.7841 5.7967 5.8824 5.9064 7.4092 7.4214 7.6315 7.6355 7.7921 7.8316 7.9332 7.9974 8.1264 8.1404 11.2477 11.2950 11.5325 11.5656 k = 0.2069 0.5000-0.0000 ( 6556 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7279 -31.7279 -6.9877 -6.9873 -6.6934 -6.6933 -6.3720 -6.3714 -6.3340 -6.3338 1.2491 1.2808 1.5305 1.5381 1.7287 1.7423 1.9985 2.0360 2.3462 2.3663 2.4440 2.4878 2.5574 2.5584 2.6615 2.6666 2.8157 2.8435 2.8795 2.8976 3.3025 3.3035 3.3520 3.3688 3.7449 3.7656 3.8600 3.8726 3.9361 3.9605 4.0265 4.0889 4.1041 4.1172 4.1502 4.2827 4.3385 4.3831 4.5107 4.5723 4.5976 4.6048 4.7639 4.7975 4.9024 4.9114 5.1055 5.1128 5.3569 5.3733 5.7666 5.7791 5.8899 5.9132 7.4243 7.4378 7.6461 7.6494 7.7834 7.8197 7.9439 8.0046 8.1381 8.1521 11.2740 11.3239 11.6037 11.6380 k = 0.2241 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9761 -6.9757 -6.6872 -6.6871 -6.3843 -6.3836 -6.3400 -6.3398 1.2578 1.2912 1.5273 1.5356 1.7178 1.7329 2.0093 2.0490 2.3400 2.3558 2.4462 2.4843 2.5570 2.5574 2.6705 2.6746 2.8018 2.8309 2.8764 2.8952 3.2785 3.2791 3.3304 3.3471 3.7512 3.7731 3.8632 3.8760 3.9367 3.9629 4.0310 4.0876 4.1066 4.1196 4.1511 4.2754 4.3564 4.4047 4.4932 4.5687 4.6125 4.6215 4.7565 4.7955 4.8903 4.9026 5.0982 5.1084 5.3866 5.3979 5.7485 5.7609 5.9022 5.9246 7.4389 7.4536 7.6629 7.6657 7.7716 7.8036 7.9595 8.0151 8.1499 8.1636 11.2999 11.3520 11.6783 11.7125 k = 0.2414 0.5000-0.0000 ( 6562 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9638 -6.9633 -6.6807 -6.6806 -6.3973 -6.3966 -6.3463 -6.3462 1.2671 1.3018 1.5238 1.5328 1.7060 1.7227 2.0217 2.0634 2.3337 2.3454 2.4486 2.4813 2.5568 2.5569 2.6795 2.6828 2.7872 2.8171 2.8734 2.8928 3.2546 3.2563 3.3084 3.3253 3.7566 3.7798 3.8672 3.8794 3.9374 3.9651 4.0359 4.0870 4.1093 4.1205 4.1524 4.2677 4.3748 4.4250 4.4754 4.5510 4.6349 4.6467 4.7491 4.7933 4.8786 4.8941 5.0877 5.1004 5.4137 5.4208 5.7298 5.7422 5.9195 5.9406 7.4529 7.4683 7.6815 7.6845 7.7575 7.7859 7.9779 8.0283 8.1613 8.1747 11.3247 11.3783 11.7547 11.7858 k = 0.2586 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9508 -6.9503 -6.6739 -6.6737 -6.4110 -6.4103 -6.3530 -6.3528 1.2769 1.3128 1.5203 1.5300 1.6934 1.7117 2.0359 2.0793 2.3273 2.3352 2.4511 2.4788 2.5568 2.5569 2.6880 2.6909 2.7721 2.8022 2.8707 2.8903 3.2319 3.2342 3.2863 3.3035 3.7614 3.7859 3.8720 3.8830 3.9382 3.9670 4.0412 4.0868 4.1121 4.1203 4.1547 4.2599 4.3937 4.4405 4.4621 4.5320 4.6587 4.6715 4.7420 4.7905 4.8679 4.8861 5.0746 5.0891 5.4377 5.4416 5.7109 5.7234 5.9417 5.9613 7.4659 7.4817 7.7009 7.7057 7.7421 7.7689 7.9978 8.0435 8.1722 8.1853 11.3477 11.4021 11.8295 11.8450 k = 0.2759 0.5000-0.0000 ( 6554 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9372 -6.9366 -6.6668 -6.6667 -6.4253 -6.4245 -6.3599 -6.3597 1.2873 1.3239 1.5167 1.5272 1.6799 1.7000 2.0519 2.0965 2.3209 2.3254 2.4537 2.4767 2.5572 2.5573 2.6957 2.6991 2.7569 2.7862 2.8681 2.8878 3.2103 3.2129 3.2640 3.2818 3.7657 3.7914 3.8773 3.8866 3.9389 3.9683 4.0468 4.0862 4.1149 4.1199 4.1579 4.2524 4.4128 4.4340 4.4708 4.5132 4.6810 4.6950 4.7365 4.7867 4.8591 4.8786 5.0592 5.0748 5.4583 5.4598 5.6920 5.7047 5.9682 5.9860 7.4780 7.4938 7.7162 7.7247 7.7303 7.7580 8.0185 8.0598 8.1825 8.1951 11.3680 11.4223 11.8504 11.8819 k = 0.2931 0.5000-0.0000 ( 6554 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9230 -6.9224 -6.6595 -6.6594 -6.4401 -6.4394 -6.3670 -6.3668 1.2981 1.3352 1.5131 1.5244 1.6657 1.6876 2.0696 2.1150 2.3149 2.3161 2.4562 2.4750 2.5578 2.5583 2.7011 2.7072 2.7429 2.7691 2.8658 2.8853 3.1901 3.1925 3.2419 3.2604 3.7698 3.7965 3.8829 3.8902 3.9395 3.9688 4.0525 4.0846 4.1174 4.1205 4.1618 4.2454 4.4188 4.4319 4.4888 4.4954 4.6975 4.7165 4.7363 4.7814 4.8533 4.8718 5.0418 5.0579 5.4757 5.4757 5.6732 5.6862 5.9981 6.0140 7.4890 7.5046 7.7094 7.7144 7.7548 7.7666 8.0393 8.0768 8.1918 8.2040 11.3851 11.4384 11.8114 11.8565 k = 0.3103 0.5000-0.0000 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.9084 -6.9078 -6.6521 -6.6519 -6.4554 -6.4546 -6.3743 -6.3741 1.3095 1.3467 1.5094 1.5216 1.6508 1.6746 2.0889 2.1347 2.3074 2.3094 2.4587 2.4736 2.5586 2.5597 2.7000 2.7150 2.7345 2.7510 2.8638 2.8829 3.1712 3.1731 3.2200 3.2393 3.7739 3.8012 3.8886 3.8940 3.9399 3.9686 4.0582 4.0816 4.1197 4.1228 4.1661 4.2391 4.4036 4.4494 4.4801 4.5074 4.7017 4.7352 4.7475 4.7742 4.8514 4.8657 5.0228 5.0387 5.4892 5.4901 5.6550 5.6682 6.0304 6.0443 7.4991 7.5140 7.6936 7.7010 7.7816 7.7889 8.0599 8.0939 8.2001 8.2118 11.3985 11.4499 11.7616 11.8028 k = 0.3276 0.5000-0.0000 ( 6540 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8934 -6.8927 -6.6446 -6.6444 -6.4711 -6.4703 -6.3816 -6.3814 1.3213 1.3583 1.5058 1.5189 1.6353 1.6611 2.1098 2.1552 2.2995 2.3047 2.4611 2.4723 2.5593 2.5615 2.6889 2.7214 2.7331 2.7352 2.8620 2.8806 3.1538 3.1548 3.1986 3.2188 3.7779 3.8056 3.8943 3.8978 3.9402 3.9676 4.0637 4.0777 4.1216 4.1264 4.1706 4.2338 4.3893 4.4526 4.4803 4.5260 4.6982 4.7502 4.7653 4.7657 4.8535 4.8605 5.0025 5.0177 5.5008 5.5019 5.6375 5.6508 6.0640 6.0758 7.5083 7.5223 7.6785 7.6858 7.8095 7.8149 8.0799 8.1107 8.2073 8.2183 11.4081 11.4566 11.7097 11.7460 k = 0.3448 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8781 -6.8774 -6.6371 -6.6370 -6.4869 -6.4861 -6.3890 -6.3888 1.3336 1.3701 1.5022 1.5164 1.6193 1.6472 2.1321 2.1760 2.2924 2.3014 2.4634 2.4712 2.5597 2.5636 2.6724 2.7094 2.7323 2.7404 2.8605 2.8783 3.1376 3.1379 3.1780 3.1991 3.7820 3.8095 3.8998 3.9016 3.9404 3.9658 4.0687 4.0735 4.1231 4.1308 4.1754 4.2298 4.3762 4.4394 4.4979 4.5444 4.6926 4.7534 4.7643 4.7834 4.8566 4.8592 4.9816 4.9954 5.5105 5.5116 5.6209 5.6343 6.0976 6.1076 7.5166 7.5295 7.6646 7.6713 7.8378 7.8422 8.0990 8.1267 8.2132 8.2236 11.4140 11.4588 11.6586 11.6904 k = 0.3621 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8627 -6.8620 -6.6297 -6.6296 -6.5029 -6.5021 -6.3962 -6.3960 1.3464 1.3820 1.4987 1.5142 1.6028 1.6330 2.1553 2.1962 2.2865 2.3002 2.4656 2.4701 2.5593 2.5658 2.6543 2.6884 2.7392 2.7467 2.8594 2.8761 3.1218 3.1235 3.1584 3.1802 3.7862 3.8129 3.9050 3.9054 3.9403 3.9633 4.0695 4.0728 4.1245 4.1353 4.1803 4.2269 4.3645 4.4245 4.5184 4.5626 4.6868 4.7433 4.7724 4.7987 4.8548 4.8670 4.9604 4.9724 5.5187 5.5194 5.6055 5.6187 6.1304 6.1386 7.5239 7.5357 7.6520 7.6579 7.8662 7.8697 8.1168 8.1416 8.2178 8.2275 11.4166 11.4572 11.6099 11.6374 k = 0.3793 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8473 -6.8467 -6.6225 -6.6224 -6.5187 -6.5179 -6.4032 -6.4031 1.3597 1.3939 1.4952 1.5124 1.5861 1.6186 2.1791 2.2144 2.2820 2.3026 2.4677 2.4689 2.5573 2.5678 2.6366 2.6663 2.7461 2.7531 2.8586 2.8740 3.1075 3.1108 3.1402 3.1625 3.7905 3.8160 3.9092 3.9098 3.9401 3.9602 4.0661 4.0758 4.1259 4.1395 4.1854 4.2252 4.3543 4.4099 4.5396 4.5806 4.6816 4.7325 4.7788 4.8090 4.8562 4.8750 4.9399 4.9500 5.5255 5.5257 5.5914 5.6045 6.1613 6.1679 7.5305 7.5409 7.6408 7.6460 7.8939 7.8968 8.1331 8.1549 8.2213 8.2302 11.4167 11.4525 11.5648 11.5883 k = 0.3966 0.5000-0.0000 ( 6530 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8322 -6.8316 -6.6157 -6.6156 -6.5342 -6.5334 -6.4099 -6.4098 1.3734 1.4058 1.4919 1.5110 1.5693 1.6041 2.2023 2.2284 2.2798 2.3105 2.4674 2.4697 2.5524 2.5690 2.6210 2.6438 2.7526 2.7590 2.8580 2.8720 3.0948 3.0998 3.1236 3.1462 3.7949 3.8184 3.9130 3.9142 3.9396 3.9567 4.0635 4.0773 4.1276 4.1429 4.1907 4.2244 4.3458 4.3962 4.5612 4.5984 4.6771 4.7220 4.7837 4.8132 4.8603 4.8799 4.9216 4.9306 5.5305 5.5311 5.5790 5.5917 6.1897 6.1948 7.5362 7.5452 7.6311 7.6356 7.9204 7.9227 8.1475 8.1663 8.2237 8.2316 11.4149 11.4458 11.5241 11.5438 k = 0.4138 0.5000-0.0000 ( 6532 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8177 -6.8171 -6.6094 -6.6094 -6.5490 -6.5483 -6.4161 -6.4160 1.3877 1.4177 1.4885 1.5100 1.5525 1.5898 2.2227 2.2371 2.2819 2.3248 2.4654 2.4717 2.5430 2.5682 2.6095 2.6223 2.7585 2.7643 2.8579 2.8700 3.0838 3.0905 3.1091 3.1313 3.7993 3.8202 3.9165 3.9183 3.9389 3.9529 4.0618 4.0774 4.1299 4.1454 4.1962 4.2242 4.3391 4.3833 4.5829 4.6156 4.6737 4.7121 4.7875 4.8128 4.8620 4.8753 4.9093 4.9201 5.5340 5.5354 5.5686 5.5807 6.2147 6.2186 7.5411 7.5487 7.6231 7.6269 7.9451 7.9469 8.1596 8.1752 8.2254 8.2321 11.4121 11.4379 11.4886 11.5048 k = 0.4310 0.5000-0.0000 ( 6524 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8043 -6.8037 -6.6039 -6.6039 -6.5627 -6.5620 -6.4216 -6.4215 1.4023 1.4292 1.4852 1.5095 1.5361 1.5759 2.2364 2.2414 2.2920 2.3439 2.4627 2.4736 2.5295 2.5620 2.6025 2.6054 2.7638 2.7686 2.8581 2.8682 3.0749 3.0827 3.0973 3.1182 3.8036 3.8213 3.9200 3.9219 3.9381 3.9491 4.0610 4.0762 4.1327 4.1470 4.2016 4.2242 4.3345 4.3715 4.6042 4.6319 4.6716 4.7031 4.7904 4.8095 4.8555 4.8602 4.9071 4.9199 5.5362 5.5383 5.5607 5.5717 6.2359 6.2388 7.5453 7.5514 7.6167 7.6198 7.9672 7.9685 8.1692 8.1814 8.2269 8.2321 11.4091 11.4296 11.4591 11.4718 k = 0.4483 0.5000-0.0000 ( 6526 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7924 -6.7920 -6.5993 -6.5993 -6.5747 -6.5740 -6.4262 -6.4261 1.4174 1.4403 1.4816 1.5073 1.5227 1.5625 2.2423 2.2432 2.3106 2.3645 2.4590 2.4757 2.5144 2.5464 2.5970 2.5989 2.7682 2.7720 2.8585 2.8664 3.0682 3.0758 3.0889 3.1069 3.8077 3.8216 3.9231 3.9251 3.9370 3.9453 4.0612 4.0741 4.1358 4.1476 4.2067 4.2239 4.3319 4.3608 4.6245 4.6465 4.6711 4.6954 4.7922 4.8043 4.8426 4.8441 4.9115 4.9229 5.5370 5.5392 5.5558 5.5649 6.2529 6.2549 7.5487 7.5533 7.6119 7.6142 7.9859 7.9868 8.1761 8.1848 8.2284 8.2319 11.4066 11.4216 11.4362 11.4453 k = 0.4655 0.5000-0.0000 ( 6518 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7829 -6.7826 -6.5960 -6.5960 -6.5840 -6.5835 -6.4296 -6.4296 1.4329 1.4505 1.4777 1.4966 1.5193 1.5500 2.2438 2.2440 2.3333 2.3818 2.4559 2.4779 2.5012 2.5243 2.5946 2.5970 2.7717 2.7743 2.8593 2.8647 3.0638 3.0697 3.0845 3.0976 3.8115 3.8211 3.9260 3.9280 3.9359 3.9418 4.0621 4.0714 4.1389 4.1472 4.2115 4.2231 4.3316 4.3515 4.6424 4.6577 4.6723 4.6893 4.7919 4.7977 4.8285 4.8334 4.9173 4.9254 5.5368 5.5383 5.5543 5.5604 6.2653 6.2666 7.5514 7.5545 7.6086 7.6101 8.0003 8.0008 8.1805 8.1859 8.2299 8.2319 11.4049 11.4138 11.4209 11.4259 k = 0.4828 0.5000-0.0000 ( 6522 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7767 -6.7765 -6.5946 -6.5945 -6.5894 -6.5891 -6.4318 -6.4318 1.4487 1.4593 1.4730 1.4812 1.5230 1.5389 2.2441 2.2443 2.3564 2.3871 2.4601 2.4802 2.4919 2.5008 2.5945 2.5959 2.7741 2.7754 2.8604 2.8631 3.0617 3.0649 3.0837 3.0905 3.8149 3.8198 3.9284 3.9301 3.9351 3.9386 4.0638 4.0687 4.1417 4.1461 4.2156 4.2215 4.3336 4.3437 4.6556 4.6633 4.6760 4.6852 4.7893 4.7912 4.8216 4.8257 4.9221 4.9263 5.5363 5.5368 5.5546 5.5576 6.2729 6.2736 7.5533 7.5548 7.6068 7.6076 8.0095 8.0097 8.1831 8.1856 8.2311 8.2319 11.4041 11.4069 11.4134 11.4141 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7744 -6.7744 -6.5949 -6.5949 -6.5904 -6.5904 -6.4325 -6.4325 1.4638 1.4638 1.4680 1.4680 1.5297 1.5297 2.2442 2.2442 2.3762 2.3762 2.4752 2.4752 2.4871 2.4871 2.5950 2.5950 2.7753 2.7753 2.8616 2.8616 3.0621 3.0621 3.0857 3.0857 3.8177 3.8177 3.9301 3.9301 3.9360 3.9360 4.0660 4.0660 4.1442 4.1442 4.2190 4.2190 4.3377 4.3377 4.6624 4.6624 4.6811 4.6811 4.7880 4.7880 4.8215 4.8215 4.9252 4.9252 5.5361 5.5361 5.5558 5.5558 6.2757 6.2757 7.5544 7.5544 7.6064 7.6064 8.0127 8.0127 8.1846 8.1846 8.2317 8.2317 11.4040 11.4040 11.4106 11.4106 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7744 -6.7744 -6.5949 -6.5949 -6.5904 -6.5904 -6.4325 -6.4325 1.4638 1.4638 1.4680 1.4680 1.5297 1.5297 2.2442 2.2442 2.3762 2.3762 2.4752 2.4752 2.4871 2.4871 2.5950 2.5950 2.7753 2.7753 2.8616 2.8616 3.0621 3.0621 3.0857 3.0857 3.8177 3.8177 3.9301 3.9301 3.9360 3.9360 4.0660 4.0660 4.1442 4.1442 4.2190 4.2190 4.3377 4.3377 4.6624 4.6624 4.6811 4.6811 4.7880 4.7880 4.8215 4.8215 4.9252 4.9252 5.5361 5.5361 5.5558 5.5558 6.2757 6.2757 7.5544 7.5544 7.6064 7.6064 8.0127 8.0127 8.1846 8.1846 8.2317 8.2317 11.4040 11.4040 11.4106 11.4106 k = 0.4875 0.4875-0.0000 ( 6524 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7768 -6.7766 -6.5941 -6.5941 -6.5898 -6.5895 -6.4318 -6.4317 1.4484 1.4596 1.4715 1.4825 1.5227 1.5394 2.2441 2.2443 2.3557 2.3872 2.4597 2.4813 2.4908 2.5017 2.5944 2.5959 2.7740 2.7754 2.8603 2.8631 3.0618 3.0650 3.0836 3.0907 3.8148 3.8199 3.9281 3.9306 3.9348 3.9388 4.0637 4.0687 4.1417 4.1461 4.2155 4.2215 4.3335 4.3439 4.6560 4.6619 4.6770 4.6849 4.7898 4.7908 4.8218 4.8259 4.9220 4.9263 5.5364 5.5368 5.5546 5.5576 6.2728 6.2734 7.5532 7.5548 7.6068 7.6076 8.0093 8.0096 8.1829 8.1856 8.2312 8.2318 11.4019 11.4044 11.4146 11.4180 k = 0.4750 0.4750-0.0000 ( 6520 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7835 -6.7832 -6.5922 -6.5921 -6.5875 -6.5868 -6.4295 -6.4294 1.4330 1.4511 1.4731 1.4988 1.5192 1.5519 2.2438 2.2440 2.3311 2.3814 2.4560 2.4809 2.4993 2.5262 2.5941 2.5970 2.7718 2.7743 2.8592 2.8649 3.0639 3.0695 3.0841 3.0988 3.8113 3.8212 3.9248 3.9302 3.9345 3.9422 4.0619 4.0717 4.1388 4.1473 4.2111 4.2232 4.3314 4.3522 4.6450 4.6497 4.6790 4.6875 4.7934 4.7952 4.8298 4.8341 4.9170 4.9254 5.5377 5.5384 5.5540 5.5600 6.2648 6.2661 7.5513 7.5544 7.6087 7.6103 7.9998 8.0003 8.1795 8.1855 8.2311 8.2318 11.3914 11.3984 11.4344 11.4433 k = 0.4625 0.4625-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7941 -6.7936 -6.5897 -6.5895 -6.5832 -6.5823 -6.4258 -6.4256 1.4186 1.4417 1.4718 1.5035 1.5290 1.5673 2.2422 2.2427 2.3057 2.3633 2.4610 2.4813 2.5119 2.5508 2.5939 2.5984 2.7690 2.7722 2.8582 2.8668 3.0679 3.0751 3.0879 3.1102 3.8073 3.8218 3.9211 3.9295 3.9345 3.9455 4.0605 4.0747 4.1357 4.1477 4.2060 4.2240 4.3314 4.3622 4.6302 4.6314 4.6844 4.6912 4.7923 4.8003 4.8455 4.8460 4.9110 4.9228 5.5399 5.5406 5.5539 5.5631 6.2520 6.2540 7.5485 7.5533 7.6121 7.6145 7.9849 7.9856 8.1725 8.1825 8.2330 8.2330 11.3749 11.3855 11.4699 11.4839 k = 0.4500 0.4500-0.0000 ( 6534 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8078 -6.8073 -6.5866 -6.5863 -6.5775 -6.5764 -6.4208 -6.4206 1.4049 1.4318 1.4680 1.4983 1.5497 1.5854 2.2372 2.2374 2.2839 2.3432 2.4675 2.4826 2.5277 2.5744 2.5939 2.6002 2.7664 2.7699 2.8574 2.8691 3.0723 3.0812 3.0958 3.1248 3.8029 3.8215 3.9172 3.9287 3.9344 3.9488 4.0597 4.0774 4.1327 4.1472 4.2001 4.2239 4.3334 4.3739 4.6109 4.6130 4.6916 4.6968 4.7886 4.8035 4.8586 4.8641 4.9067 4.9200 5.5428 5.5432 5.5545 5.5668 6.2348 6.2376 7.5450 7.5514 7.6169 7.6201 7.9659 7.9668 8.1611 8.1753 8.2362 8.2371 11.3530 11.3669 11.5192 11.5385 k = 0.4375 0.4375-0.0000 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8241 -6.8236 -6.5829 -6.5825 -6.5708 -6.5696 -6.4148 -6.4146 1.3917 1.4215 1.4618 1.4908 1.5735 1.6059 2.2207 2.2266 2.2733 2.3277 2.4736 2.4847 2.5444 2.5942 2.5958 2.6026 2.7645 2.7682 2.8569 2.8718 3.0768 3.0878 3.1078 3.1421 3.7983 3.8205 3.9132 3.9280 3.9342 3.9519 4.0593 4.0793 4.1303 4.1460 4.1937 4.2231 4.3375 4.3870 4.5896 4.5946 4.7002 4.7042 4.7836 4.8048 4.8643 4.8783 4.9108 4.9218 5.5461 5.5463 5.5559 5.5709 6.2137 6.2174 7.5407 7.5488 7.6231 7.6273 7.9438 7.9448 8.1456 8.1638 8.2415 8.2430 11.3262 11.3431 11.5807 11.6058 k = 0.4250 0.4250-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8425 -6.8419 -6.5784 -6.5779 -6.5635 -6.5623 -6.4079 -6.4077 1.3789 1.4110 1.4536 1.4818 1.5991 1.6284 2.1943 2.2079 2.2733 2.3199 2.4795 2.4874 2.5605 2.5951 2.6047 2.6155 2.7643 2.7682 2.8566 2.8750 3.0816 3.0949 3.1231 3.1615 3.7936 3.8188 3.9089 3.9272 3.9338 3.9547 4.0593 4.0801 4.1288 4.1441 4.1868 4.2217 4.3436 4.4013 4.5683 4.5758 4.7100 4.7132 4.7777 4.8041 4.8598 4.8804 4.9260 4.9352 5.5497 5.5498 5.5578 5.5748 6.1895 6.1942 7.5358 7.5456 7.6307 7.6358 7.9193 7.9204 8.1269 8.1489 8.2479 8.2499 11.2948 11.3144 11.6525 11.6840 k = 0.4125 0.4125-0.0000 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8624 -6.8618 -6.5732 -6.5726 -6.5558 -6.5546 -6.4005 -6.4002 1.3661 1.4000 1.4435 1.4712 1.6264 1.6528 2.1638 2.1826 2.2783 2.3196 2.4854 2.4907 2.5742 2.5968 2.6079 2.6310 2.7664 2.7712 2.8566 2.8786 3.0868 3.1024 3.1408 3.1825 3.7889 3.8163 3.9044 3.9265 3.9333 3.9572 4.0596 4.0796 4.1282 4.1416 4.1794 4.2197 4.3516 4.4163 4.5474 4.5570 4.7206 4.7236 4.7707 4.8009 4.8513 4.8735 4.9465 4.9565 5.5535 5.5540 5.5598 5.5780 6.1630 6.1689 7.5303 7.5418 7.6396 7.6457 7.8932 7.8944 8.1057 8.1315 8.2548 8.2571 11.2592 11.2811 11.7319 11.7707 k = 0.4000 0.4000-0.0000 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.8836 -6.8830 -6.5673 -6.5666 -6.5478 -6.5465 -6.3927 -6.3923 1.3532 1.3883 1.4317 1.4591 1.6553 1.6788 2.1318 2.1533 2.2864 2.3245 2.4914 2.4943 2.5843 2.6001 2.6115 2.6424 2.7714 2.7781 2.8571 2.8828 3.0927 3.1105 3.1604 3.2047 3.7845 3.8133 3.8996 3.9259 3.9327 3.9596 4.0602 4.0778 4.1286 4.1386 4.1718 4.2172 4.3613 4.4316 4.5275 4.5384 4.7312 4.7349 4.7630 4.7946 4.8436 4.8632 4.9687 4.9801 5.5572 5.5589 5.5620 5.5799 6.1352 6.1425 7.5244 7.5375 7.6497 7.6569 7.8661 7.8676 8.0830 8.1125 8.2617 8.2643 11.2196 11.2435 11.8155 11.8631 k = 0.3875 0.3875-0.0000 ( 6534 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.9058 -6.9052 -6.5607 -6.5599 -6.5395 -6.5382 -6.3848 -6.3843 1.3398 1.3758 1.4183 1.4454 1.6854 1.7062 2.0993 2.1219 2.2971 2.3332 2.4973 2.4982 2.5905 2.6050 2.6156 2.6496 2.7799 2.7894 2.8580 2.8877 3.0993 3.1190 3.1814 3.2277 3.7804 3.8098 3.8945 3.9253 3.9321 3.9618 4.0610 4.0749 4.1297 4.1352 4.1639 4.2144 4.3725 4.4458 4.5098 4.5202 4.7399 4.7447 4.7566 4.7859 4.8388 4.8517 4.9914 5.0041 5.5580 5.5642 5.5666 5.5804 6.1073 6.1162 7.5180 7.5328 7.6609 7.6692 7.8385 7.8403 8.0593 8.0927 8.2683 8.2712 11.1762 11.2018 11.8967 11.9566 k = 0.3750 0.3750-0.0000 ( 6540 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.9287 -6.9282 -6.5534 -6.5525 -6.5310 -6.5297 -6.3768 -6.3763 1.3258 1.3623 1.4032 1.4301 1.7167 1.7348 2.0667 2.0897 2.3102 2.3449 2.5022 2.5031 2.5946 2.6100 2.6201 2.6537 2.7917 2.8044 2.8595 2.8933 3.1065 3.1280 3.2033 3.2512 3.7767 3.8059 3.8888 3.9247 3.9314 3.9638 4.0619 4.0713 4.1312 4.1314 4.1556 4.2114 4.3851 4.4549 4.4983 4.5025 4.7399 4.7418 4.7638 4.7800 4.8372 4.8401 5.0139 5.0278 5.5549 5.5670 5.5740 5.5818 6.0803 6.0911 7.5114 7.5277 7.6729 7.6825 7.8109 7.8131 8.0352 8.0726 8.2744 8.2776 11.1291 11.1561 11.9170 11.9310 k = 0.3625 0.3625-0.0000 ( 6526 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9521 -6.9516 -6.5455 -6.5445 -6.5222 -6.5210 -6.3691 -6.3685 1.3110 1.3476 1.3867 1.4132 1.7489 1.7641 2.0345 2.0576 2.3256 2.3590 2.5061 2.5084 2.5983 2.6142 2.6245 2.6563 2.8064 2.8220 2.8622 2.8999 3.1144 3.1374 3.2259 3.2750 3.7734 3.8015 3.8828 3.9241 3.9307 3.9658 4.0629 4.0674 4.1273 4.1331 4.1471 4.2082 4.3986 4.4507 4.4855 4.5009 4.7280 4.7319 4.7768 4.7821 4.8292 4.8386 5.0362 5.0508 5.5479 5.5622 5.5836 5.5885 6.0555 6.0683 7.5047 7.5225 7.6857 7.6961 7.7834 7.7868 8.0113 8.0530 8.2798 8.2832 11.0784 11.1064 11.8593 11.8684 k = 0.3500 0.3500-0.0000 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9759 -6.9755 -6.5370 -6.5359 -6.5132 -6.5120 -6.3616 -6.3609 1.2953 1.3316 1.3688 1.3948 1.7814 1.7934 2.0031 2.0265 2.3434 2.3753 2.5098 2.5129 2.6016 2.6184 2.6280 2.6592 2.8232 2.8400 2.8672 2.9077 3.1228 3.1472 3.2489 3.2989 3.7705 3.7968 3.8763 3.9234 3.9300 3.9677 4.0634 4.0636 4.1230 4.1346 4.1386 4.2049 4.4122 4.4370 4.4696 4.5138 4.7137 4.7144 4.7879 4.7895 4.8202 4.8428 5.0583 5.0731 5.5367 5.5508 5.5953 5.5992 6.0337 6.0486 7.4980 7.5171 7.6987 7.7086 7.7566 7.7629 7.9882 8.0342 8.2845 8.2881 11.0241 11.0527 11.7975 11.8063 k = 0.3375 0.3375-0.0000 ( 6532 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -7.0000 -6.9996 -6.5280 -6.5268 -6.5040 -6.5028 -6.3544 -6.3537 1.2785 1.3143 1.3495 1.3750 1.8134 1.8215 1.9736 1.9978 2.3635 2.3935 2.5129 2.5165 2.6036 2.6244 2.6298 2.6644 2.8412 2.8539 2.8786 2.9173 3.1317 3.1573 3.2722 3.3227 3.7680 3.7919 3.8696 3.9227 3.9292 3.9697 4.0596 4.0641 4.1187 4.1284 4.1377 4.2017 4.4209 4.4238 4.4569 4.5297 4.6938 4.6976 4.7931 4.7982 4.8164 4.8496 5.0805 5.0950 5.5209 5.5342 5.6092 5.6124 6.0156 6.0327 7.4916 7.5119 7.7112 7.7125 7.7310 7.7488 7.9664 8.0170 8.2882 8.2921 10.9663 10.9951 11.7365 11.7456 k = 0.3250 0.3250-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -7.0241 -7.0237 -6.5184 -6.5172 -6.4945 -6.4933 -6.3477 -6.3470 1.2606 1.2956 1.3290 1.3538 1.8419 1.8449 1.9485 1.9748 2.3855 2.4131 2.5155 2.5190 2.6042 2.6298 2.6332 2.6726 2.8589 2.8615 2.8982 2.9294 3.1412 3.1677 3.2955 3.3462 3.7659 3.7866 3.8628 3.9219 3.9284 3.9717 4.0561 4.0638 4.1148 4.1187 4.1398 4.1986 4.4045 4.4247 4.4557 4.5465 4.6718 4.6797 4.7967 4.7969 4.8236 4.8581 5.1032 5.1168 5.5007 5.5130 5.6251 5.6277 6.0016 6.0206 7.4856 7.5068 7.6976 7.7034 7.7262 7.7541 7.9466 8.0019 8.2910 8.2951 10.9049 10.9336 11.6775 11.6867 k = 0.3125 0.3125-0.0000 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -7.0482 -7.0478 -6.5084 -6.5072 -6.4849 -6.4837 -6.3415 -6.3407 1.2417 1.2756 1.3074 1.3313 1.8561 1.8574 1.9374 1.9650 2.4092 2.4338 2.5174 2.5207 2.6040 2.6287 2.6445 2.6835 2.8668 2.8753 2.9217 2.9448 3.1512 3.1784 3.3186 3.3694 3.7641 3.7811 3.8562 3.9212 3.9274 3.9738 4.0531 4.0623 4.1087 4.1115 4.1423 4.1958 4.3885 4.4135 4.4671 4.5634 4.6488 4.6606 4.7921 4.7991 4.8344 4.8670 5.1268 5.1390 5.4763 5.4877 5.6428 5.6447 5.9914 6.0121 7.4801 7.5021 7.6759 7.6795 7.7374 7.7664 7.9296 7.9895 8.2927 8.2970 10.8400 10.8681 11.6210 11.6302 k = 0.3000 0.3000-0.0000 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7280 -31.7280 -7.0721 -7.0718 -6.4981 -6.4968 -6.4750 -6.4738 -6.3357 -6.3349 1.2218 1.2545 1.2847 1.3078 1.8482 1.8484 1.9518 1.9751 2.4339 2.4546 2.5186 2.5217 2.6041 2.6276 2.6581 2.6966 2.8717 2.8895 2.9470 2.9642 3.1616 3.1894 3.3414 3.3920 3.7624 3.7753 3.8502 3.9204 3.9261 3.9760 4.0505 4.0594 4.0983 4.1093 4.1450 4.1933 4.3730 4.3995 4.4814 4.5801 4.6255 4.6406 4.7878 4.8006 4.8448 4.8753 5.1520 5.1623 5.4484 5.4592 5.6621 5.6631 5.9846 6.0067 7.4753 7.4978 7.6535 7.6561 7.7474 7.7782 7.9169 7.9806 8.2933 8.2979 10.7716 10.7988 11.5675 11.5763 k = 0.2875 0.2875-0.0000 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7280 -31.7280 -7.0958 -7.0955 -6.4874 -6.4860 -6.4650 -6.4638 -6.3305 -6.3297 1.2010 1.2322 1.2612 1.2833 1.8252 1.8278 1.9808 1.9989 2.4590 2.4742 2.5190 2.5226 2.6056 2.6273 2.6735 2.7113 2.8769 2.9015 2.9735 2.9872 3.1726 3.2007 3.3637 3.4139 3.7604 3.7692 3.8452 3.9196 3.9245 3.9784 4.0484 4.0548 4.0879 4.1084 4.1480 4.1910 4.3582 4.3851 4.4958 4.5950 4.6034 4.6203 4.7845 4.8018 4.8536 4.8823 5.1791 5.1872 5.4179 5.4283 5.6827 5.6828 5.9807 6.0038 7.4713 7.4941 7.6317 7.6337 7.7552 7.7866 7.9101 7.9757 8.2928 8.2977 10.6998 10.7258 11.5173 11.5253 k = 0.2750 0.2750-0.0000 ( 6552 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7280 -31.7280 -7.1191 -7.1189 -6.4764 -6.4750 -6.4548 -6.4537 -6.3258 -6.3250 1.1794 1.2091 1.2368 1.2580 1.7984 1.8020 2.0140 2.0285 2.4831 2.4903 2.5189 2.5242 2.6100 2.6291 2.6903 2.7275 2.8825 2.9118 3.0009 3.0132 3.1841 3.2123 3.3855 3.4349 3.7578 3.7630 3.8417 3.9188 3.9224 3.9809 4.0466 4.0486 4.0778 4.1088 4.1512 4.1890 4.3441 4.3707 4.5090 4.5772 4.6009 4.6136 4.7823 4.8029 4.8606 4.8876 5.2084 5.2141 5.3857 5.3961 5.7033 5.7041 5.9789 6.0027 7.4682 7.4910 7.6108 7.6125 7.7602 7.7897 7.9108 7.9752 8.2913 8.2964 10.6249 10.6494 11.4702 11.4773 k = 0.2625 0.2625-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1420 -7.1418 -6.4652 -6.4638 -6.4446 -6.4435 -6.3216 -6.3208 1.1572 1.1852 1.2119 1.2320 1.7707 1.7746 2.0484 2.0603 2.5003 2.5045 2.5182 2.5275 2.6189 2.6344 2.7084 2.7449 2.8886 2.9210 3.0291 3.0415 3.1962 3.2241 3.4064 3.4550 3.7541 3.7565 3.8404 3.9179 3.9195 3.9835 4.0414 4.0448 4.0687 4.1103 4.1547 4.1874 4.3309 4.3566 4.5183 4.5536 4.5850 4.6293 4.7813 4.8040 4.8656 4.8913 5.2397 5.2434 5.3525 5.3634 5.7243 5.7260 5.9785 6.0027 7.4659 7.4885 7.5910 7.5924 7.7624 7.7876 7.9187 7.9790 8.2887 8.2940 10.5469 10.5698 11.4264 11.4324 k = 0.2500 0.2500-0.0000 ( 6568 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1644 -7.1642 -6.4539 -6.4525 -6.4343 -6.4333 -6.3180 -6.3171 1.1345 1.1608 1.1864 1.2056 1.7429 1.7467 2.0830 2.0929 2.5042 2.5164 2.5220 2.5313 2.6334 2.6448 2.7275 2.7632 2.8951 2.9295 3.0579 3.0714 3.2090 3.2363 3.4265 3.4739 3.7492 3.7498 3.8415 3.9154 3.9166 3.9860 4.0338 4.0421 4.0619 4.1124 4.1583 4.1858 4.3187 4.3426 4.5183 4.5301 4.5781 4.6448 4.7813 4.8052 4.8686 4.8935 5.2715 5.2746 5.3193 5.3324 5.7454 5.7480 5.9791 6.0033 7.4645 7.4866 7.5722 7.5735 7.7624 7.7823 7.9318 7.9868 8.2851 8.2907 10.4660 10.4872 11.3858 11.3903 k = 0.2375 0.2375-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.1862 -7.1860 -6.4425 -6.4411 -6.4241 -6.4230 -6.3148 -6.3139 1.1117 1.1362 1.1607 1.1789 1.7155 1.7190 2.1173 2.1254 2.5047 2.5150 2.5329 2.5334 2.6528 2.6610 2.7474 2.7821 2.9022 2.9375 3.0872 3.1025 3.2225 3.2488 3.4455 3.4916 3.7430 3.7431 3.8453 3.9100 3.9146 3.9883 4.0264 4.0385 4.0584 4.1151 4.1623 4.1845 4.3075 4.3291 4.5065 4.5070 4.5832 4.6600 4.7826 4.8066 4.8701 4.8945 5.2832 5.2839 5.3115 5.3234 5.7664 5.7698 5.9801 6.0041 7.4639 7.4852 7.5546 7.5557 7.7608 7.7759 7.9480 7.9975 8.2806 8.2865 10.3826 10.4020 11.3483 11.3512 k = 0.2250 0.2250-0.0000 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7279 -31.7279 -7.2073 -7.2071 -6.4311 -6.4297 -6.4139 -6.4129 -6.3120 -6.3112 1.0887 1.1115 1.1348 1.1521 1.6887 1.6918 2.1509 2.1576 2.5037 2.5130 2.5334 2.5387 2.6752 2.6821 2.7679 2.8015 2.9098 2.9451 3.1168 3.1345 3.2369 3.2616 3.4634 3.5079 3.7358 3.7359 3.8516 3.9029 3.9111 3.9900 4.0197 4.0351 4.0579 4.1180 4.1665 4.1833 4.2973 4.3158 4.4842 4.4882 4.5949 4.6748 4.7848 4.8081 4.8701 4.8947 5.2512 5.2577 5.3470 5.3555 5.7869 5.7911 5.9811 6.0048 7.4639 7.4839 7.5382 7.5392 7.7588 7.7700 7.9656 8.0103 8.2754 8.2816 10.2967 10.3144 11.3136 11.3149 k = 0.2125 0.2125-0.0000 ( 6560 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7279 -31.7279 -7.2276 -7.2275 -6.4197 -6.4183 -6.4038 -6.4028 -6.3097 -6.3089 1.0660 1.0870 1.1090 1.1253 1.6626 1.6653 2.1835 2.1890 2.5019 2.5106 2.5319 2.5408 2.6992 2.7063 2.7888 2.8210 2.9178 2.9524 3.1464 3.1671 3.2522 3.2748 3.4801 3.5227 3.7275 3.7287 3.8600 3.8939 3.9056 3.9914 4.0142 4.0339 4.0590 4.1208 4.1708 4.1823 4.2883 4.3028 4.4620 4.4677 4.6093 4.6893 4.7882 4.8098 4.8691 4.8945 5.2191 5.2270 5.3854 5.3948 5.8067 5.8115 5.9818 6.0049 7.4642 7.4827 7.5228 7.5237 7.7573 7.7659 7.9836 8.0242 8.2697 8.2760 10.2087 10.2247 11.2813 11.2818 k = 0.2000 0.2000-0.0000 ( 6565 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7279 -31.7279 -7.2471 -7.2470 -6.4085 -6.4071 -6.3939 -6.3930 -6.3077 -6.3069 1.0435 1.0628 1.0834 1.0987 1.6373 1.6396 2.2151 2.2194 2.4999 2.5081 2.5294 2.5405 2.7235 2.7317 2.8100 2.8405 2.9264 2.9595 3.1758 3.1997 3.2689 3.2885 3.4954 3.5359 3.7187 3.7214 3.8688 3.8847 3.8973 3.9928 4.0104 4.0356 4.0613 4.1233 4.1752 4.1814 4.2805 4.2901 4.4405 4.4466 4.6250 4.7035 4.7925 4.8116 4.8673 4.8943 5.1880 5.1966 5.4258 5.4363 5.8256 5.8308 5.9821 6.0045 7.4644 7.4812 7.5087 7.5095 7.7573 7.7643 8.0013 8.0384 8.2635 8.2700 10.1188 10.1332 11.2502 11.2525 k = 0.1875 0.1875-0.0000 ( 6565 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7279 -31.7279 -7.2657 -7.2657 -6.3975 -6.3962 -6.3843 -6.3834 -6.3061 -6.3054 1.0216 1.0392 1.0582 1.0726 1.6129 1.6148 2.2453 2.2487 2.4977 2.5054 2.5264 2.5387 2.7475 2.7570 2.8313 2.8598 2.9354 2.9663 3.2046 3.2322 3.2869 3.3027 3.5095 3.5476 3.7095 3.7140 3.8651 3.8862 3.8876 3.9950 4.0081 4.0398 4.0645 4.1253 4.1796 4.1807 4.2739 4.2778 4.4196 4.4255 4.6416 4.7174 4.7976 4.8135 4.8650 4.8944 5.1582 5.1672 5.4675 5.4791 5.8433 5.8488 5.9819 6.0032 7.4643 7.4791 7.4956 7.4964 7.7597 7.7660 8.0182 8.0523 8.2572 8.2639 10.0274 10.0402 11.2217 11.2257 k = 0.1750 0.1750-0.0000 ( 6577 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.2834 -7.2834 -6.3868 -6.3855 -6.3749 -6.3740 -6.3049 -6.3041 1.0003 1.0164 1.0336 1.0470 1.5895 1.5911 2.2740 2.2766 2.4955 2.5027 2.5232 2.5362 2.7705 2.7812 2.8524 2.8787 2.9448 2.9729 3.2325 3.2641 3.3064 3.3176 3.5222 3.5577 3.7000 3.7065 3.8510 3.8725 3.9008 3.9982 4.0073 4.0461 4.0684 4.1265 4.1805 4.1838 4.2658 4.2685 4.3995 4.4047 4.6589 4.7308 4.8036 4.8155 4.8625 4.8952 5.1298 5.1391 5.5103 5.5227 5.8597 5.8653 5.9809 6.0011 7.4635 7.4762 7.4836 7.4844 7.7651 7.7714 8.0339 8.0654 8.2509 8.2577 9.9346 9.9460 11.1956 11.2013 k = 0.1625 0.1625-0.0000 ( 6569 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.3001 -7.3001 -6.3764 -6.3752 -6.3659 -6.3650 -6.3039 -6.3032 0.9799 0.9944 1.0097 1.0222 1.5672 1.5685 2.3011 2.3031 2.4933 2.5001 2.5200 2.5332 2.7923 2.8037 2.8732 2.8970 2.9546 2.9793 3.2593 3.2949 3.3275 3.3333 3.5337 3.5664 3.6905 3.6990 3.8346 3.8567 3.9161 4.0025 4.0080 4.0540 4.0731 4.1268 4.1808 4.1879 4.2544 4.2643 4.3802 4.3845 4.6768 4.7437 4.8102 4.8178 4.8602 4.8968 5.1030 5.1125 5.5536 5.5667 5.8747 5.8801 5.9793 5.9982 7.4616 7.4718 7.4732 7.4736 7.7741 7.7810 8.0481 8.0773 8.2449 8.2516 9.8408 9.8509 11.1719 11.1792 k = 0.1500 0.1500-0.0000 ( 6581 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7279 -31.7279 -7.3158 -7.3158 -6.3665 -6.3654 -6.3572 -6.3564 -6.3031 -6.3024 0.9604 0.9735 0.9868 0.9984 1.5461 1.5471 2.3264 2.3279 2.4913 2.4975 2.5168 2.5299 2.8125 2.8242 2.8934 2.9148 2.9645 2.9854 3.2850 3.3239 3.3497 3.3503 3.5439 3.5737 3.6809 3.6914 3.8167 3.8392 3.9325 4.0074 4.0098 4.0628 4.0783 4.1260 4.1818 4.1915 4.2433 4.2610 4.3616 4.3650 4.6950 4.7555 4.8174 4.8205 4.8582 4.8994 5.0778 5.0875 5.5972 5.6105 5.8880 5.8932 5.9770 5.9944 7.4582 7.4626 7.4643 7.4676 7.7871 7.7947 8.0606 8.0876 8.2395 8.2460 9.7465 9.7554 11.1506 11.1593 k = 0.1375 0.1375-0.0000 ( 6575 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3304 -7.3304 -6.3571 -6.3560 -6.3490 -6.3483 -6.3026 -6.3019 0.9420 0.9537 0.9651 0.9757 1.5263 1.5271 2.3498 2.3509 2.4894 2.4951 2.5138 2.5266 2.8312 2.8423 2.9129 2.9318 2.9745 2.9913 3.3098 3.3498 3.3694 3.3728 3.5531 3.5797 3.6715 3.6838 3.7979 3.8205 3.9496 4.0127 4.0128 4.0722 4.0844 4.1244 4.1834 4.1946 4.2330 4.2586 4.3439 4.3464 4.7133 4.7660 4.8241 4.8249 4.8571 4.9030 5.0545 5.0643 5.6404 5.6538 5.8998 5.9043 5.9741 5.9898 7.4525 7.4537 7.4573 7.4619 7.8041 7.8124 8.0716 8.0963 8.2348 8.2409 9.6521 9.6599 11.1315 11.1415 k = 0.1250 0.1250-0.0000 ( 6575 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3438 -7.3438 -6.3482 -6.3473 -6.3413 -6.3406 -6.3022 -6.3016 0.9249 0.9353 0.9446 0.9543 1.5078 1.5084 2.3711 2.3719 2.4877 2.4930 2.5110 2.5233 2.8481 2.8582 2.9315 2.9481 2.9843 2.9969 3.3340 3.3719 3.3914 3.3962 3.5611 3.5846 3.6622 3.6762 3.7784 3.8008 3.9667 4.0168 4.0183 4.0814 4.0915 4.1220 4.1856 4.1969 4.2233 4.2568 4.3271 4.3288 4.7311 4.7744 4.8290 4.8324 4.8574 4.9076 5.0332 5.0430 5.6828 5.6960 5.9098 5.9136 5.9708 5.9846 7.4453 7.4458 7.4518 7.4556 7.8250 7.8338 8.0812 8.1035 8.2308 8.2365 9.5581 9.5647 11.1147 11.1256 k = 0.1125 0.1125-0.0000 ( 6575 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3561 -7.3561 -6.3400 -6.3392 -6.3342 -6.3335 -6.3019 -6.3014 0.9091 0.9182 0.9256 0.9343 1.4908 1.4912 2.3903 2.3909 2.4865 2.4912 2.5084 2.5200 2.8632 2.8717 2.9489 2.9634 2.9935 3.0024 3.3579 3.3913 3.4147 3.4191 3.5681 3.5886 3.6531 3.6685 3.7585 3.7804 3.9836 4.0218 4.0238 4.0897 4.0999 4.1192 4.1880 4.1979 4.2147 4.2553 4.3111 4.3124 4.7475 4.7804 4.8354 4.8395 4.8600 4.9129 5.0140 5.0236 5.7238 5.7365 5.9181 5.9208 5.9672 5.9790 7.4384 7.4387 7.4461 7.4490 7.8493 7.8583 8.0898 8.1096 8.2277 8.2326 9.4651 9.4707 11.1001 11.1117 k = 0.1000 0.1000-0.0000 ( 6555 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3672 -7.3672 -6.3325 -6.3317 -6.3276 -6.3270 -6.3018 -6.3013 0.8948 0.9027 0.9082 0.9160 1.4754 1.4757 2.4071 2.4076 2.4858 2.4901 2.5063 2.5169 2.8766 2.8833 2.9651 2.9776 3.0022 3.0076 3.3818 3.4100 3.4375 3.4414 3.5741 3.5917 3.6443 3.6607 3.7383 3.7594 3.9997 4.0278 4.0293 4.0970 4.1091 4.1163 4.1905 4.1969 4.2078 4.2539 4.2962 4.2978 4.7615 4.7841 4.8429 4.8461 4.8655 4.9189 4.9970 5.0065 5.7629 5.7749 5.9249 5.9262 5.9637 5.9731 7.4323 7.4325 7.4403 7.4423 7.8762 7.8850 8.0983 8.1154 8.2252 8.2294 9.3739 9.3785 11.0878 11.0997 k = 0.0875 0.0875-0.0000 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3770 -7.3770 -6.3257 -6.3251 -6.3217 -6.3211 -6.3017 -6.3012 0.8820 0.8888 0.8926 0.8994 1.4615 1.4617 2.4212 2.4216 2.4858 2.4897 2.5044 2.5141 2.8880 2.8930 2.9797 2.9905 3.0098 3.0124 3.4058 3.4286 3.4588 3.4625 3.5791 3.5940 3.6357 3.6528 3.7179 3.7380 4.0144 4.0345 4.0351 4.1037 4.1134 4.1183 4.1929 4.1933 4.2030 4.2522 4.2825 4.2850 4.7721 4.7861 4.8504 4.8521 4.8741 4.9254 4.9825 4.9917 5.7995 5.8105 5.9297 5.9301 5.9604 5.9671 7.4270 7.4272 7.4344 7.4357 7.9043 7.9123 8.1077 8.1218 8.2232 8.2267 9.2854 9.2890 11.0775 11.0894 k = 0.0750 0.0750-0.0000 ( 6563 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3856 -7.3856 -6.3198 -6.3193 -6.3165 -6.3159 -6.3017 -6.3013 0.8708 0.8765 0.8789 0.8847 1.4494 1.4495 2.4326 2.4329 2.4868 2.4902 2.5029 2.5114 2.8977 2.9011 2.9928 3.0019 3.0165 3.0170 3.4298 3.4473 3.4784 3.4823 3.5830 3.5957 3.6274 3.6448 3.6976 3.7162 4.0268 4.0394 4.0442 4.1096 4.1110 4.1265 4.1887 4.1949 4.1990 4.2492 4.2709 4.2747 4.7791 4.7869 4.8573 4.8578 4.8852 4.9321 4.9705 4.9793 5.8329 5.8426 5.9316 5.9339 5.9577 5.9615 7.4225 7.4226 7.4287 7.4296 7.9319 7.9386 8.1194 8.1303 8.2216 8.2243 9.2008 9.2035 11.0693 11.0806 k = 0.0625 0.0625-0.0000 ( 6569 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3929 -7.3929 -6.3147 -6.3144 -6.3120 -6.3115 -6.3017 -6.3013 0.8612 0.8659 0.8671 0.8720 1.4389 1.4390 2.4410 2.4413 2.4889 2.4918 2.5017 2.5090 2.9057 2.9077 3.0042 3.0117 3.0211 3.0220 3.4539 3.4663 3.4962 3.5007 3.5857 3.5968 3.6194 3.6367 3.6775 3.6941 4.0364 4.0438 4.0553 4.1092 4.1146 4.1331 4.1847 4.1946 4.1966 4.2431 4.2631 4.2670 4.7831 4.7870 4.8626 4.8627 4.8980 4.9385 4.9612 4.9694 5.8624 5.8707 5.9320 5.9363 5.9556 5.9566 7.4187 7.4188 7.4235 7.4240 7.9568 7.9617 8.1348 8.1422 8.2202 8.2223 9.1214 9.1233 11.0627 11.0694 k = 0.0500 0.0500-0.0000 ( 6571 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3989 -7.3989 -6.3106 -6.3104 -6.3082 -6.3077 -6.3017 -6.3013 0.8534 0.8572 0.8574 0.8613 1.4304 1.4304 2.4468 2.4470 2.4919 2.4942 2.5010 2.5069 2.9120 2.9131 3.0137 3.0198 3.0248 3.0264 3.4779 3.4854 3.5121 3.5175 3.5869 3.5971 3.6120 3.6286 3.6581 3.6720 4.0436 4.0477 4.0675 4.1083 4.1182 4.1371 4.1820 4.1908 4.1976 4.2338 4.2592 4.2617 4.7850 4.7867 4.8664 4.8666 4.9112 4.9443 4.9546 4.9619 5.8874 5.8939 5.9315 5.9371 5.9533 5.9544 7.4156 7.4157 7.4190 7.4193 7.9770 7.9799 8.1541 8.1584 8.2190 8.2206 9.0494 9.0505 11.0582 11.0635 k = 0.0375 0.0375-0.0000 ( 6581 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4036 -7.4036 -6.3075 -6.3074 -6.3051 -6.3047 -6.3016 -6.3013 0.8474 0.8499 0.8502 0.8528 1.4236 1.4236 2.4504 2.4505 2.4953 2.4970 2.5006 2.5050 2.9167 2.9172 3.0214 3.0259 3.0279 3.0297 3.5017 3.5045 3.5263 3.5327 3.5860 3.5961 3.6049 3.6208 3.6401 3.6500 4.0491 4.0510 4.0798 4.1085 4.1198 4.1372 4.1809 4.1892 4.1980 4.2233 4.2572 4.2584 4.7856 4.7863 4.8688 4.8690 4.9236 4.9486 4.9504 4.9564 5.9071 5.9116 5.9308 5.9363 5.9523 5.9539 7.4133 7.4134 7.4153 7.4154 7.9914 7.9927 8.1759 8.1778 8.2181 8.2192 8.9873 8.9878 11.0544 11.0578 k = 0.0250 0.0250-0.0000 ( 6605 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4070 -7.4070 -6.3054 -6.3054 -6.3028 -6.3026 -6.3014 -6.3012 0.8433 0.8446 0.8451 0.8465 1.4187 1.4187 2.4524 2.4524 2.4982 2.4994 2.5005 2.5035 2.9200 2.9201 3.0272 3.0301 3.0304 3.0319 3.5234 3.5250 3.5386 3.5456 3.5829 3.5932 3.5969 3.6128 3.6258 3.6299 4.0528 4.0534 4.0919 4.1098 4.1195 4.1329 4.1825 4.1900 4.1975 4.2129 4.2561 4.2564 4.7857 4.7858 4.8702 4.8702 4.9343 4.9482 4.9510 4.9526 5.9208 5.9232 5.9302 5.9343 5.9535 5.9544 7.4116 7.4117 7.4126 7.4126 8.0005 8.0009 8.1965 8.1970 8.2174 8.2180 8.9384 8.9386 11.0525 11.0557 k = 0.0125 0.0125-0.0000 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4090 -7.4090 -6.3043 -6.3043 -6.3014 -6.3013 -6.3011 -6.3010 0.8410 0.8416 0.8419 0.8425 1.4158 1.4158 2.4534 2.4534 2.5003 2.5008 2.5009 2.5022 2.9219 2.9219 3.0310 3.0320 3.0324 3.0329 3.5415 3.5461 3.5488 3.5548 3.5795 3.5864 3.5880 3.5992 3.6181 3.6184 4.0550 4.0551 4.1037 4.1120 4.1176 4.1249 4.1872 4.1921 4.1962 4.2031 4.2554 4.2554 4.7855 4.7855 4.8708 4.8708 4.9427 4.9477 4.9499 4.9511 5.9284 5.9292 5.9301 5.9323 5.9555 5.9556 7.4106 7.4107 7.4109 7.4109 8.0052 8.0053 8.2115 8.2115 8.2170 8.2173 8.9068 8.9068 11.0519 11.0547 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4097 -7.4097 -6.3040 -6.3040 -6.3009 -6.3009 -6.3009 -6.3009 0.8407 0.8407 0.8407 0.8407 1.4148 1.4148 2.4537 2.4537 2.5013 2.5013 2.5013 2.5013 2.9225 2.9225 3.0328 3.0328 3.0328 3.0328 3.5551 3.5551 3.5551 3.5551 3.5827 3.5827 3.5827 3.5827 3.6160 3.6160 4.0557 4.0557 4.1149 4.1149 4.1149 4.1149 4.1944 4.1944 4.1944 4.1944 4.2552 4.2552 4.7854 4.7854 4.8710 4.8710 4.9483 4.9483 4.9483 4.9483 5.9308 5.9308 5.9308 5.9308 5.9564 5.9564 7.4103 7.4103 7.4103 7.4103 8.0067 8.0067 8.2169 8.2169 8.2169 8.2169 8.8957 8.8957 11.0510 11.0524 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4097 -7.4097 -6.3040 -6.3040 -6.3009 -6.3009 -6.3009 -6.3009 0.8407 0.8407 0.8407 0.8407 1.4148 1.4148 2.4537 2.4537 2.5013 2.5013 2.5013 2.5013 2.9225 2.9225 3.0328 3.0328 3.0328 3.0328 3.5551 3.5551 3.5551 3.5551 3.5827 3.5827 3.5827 3.5827 3.6160 3.6160 4.0557 4.0557 4.1149 4.1149 4.1149 4.1149 4.1944 4.1944 4.1944 4.1944 4.2552 4.2552 4.7854 4.7854 4.8710 4.8710 4.9483 4.9483 4.9483 4.9483 5.9308 5.9308 5.9308 5.9308 5.9564 5.9564 7.4103 7.4103 7.4103 7.4103 8.0067 8.0067 8.2169 8.2169 8.2169 8.2169 8.8957 8.8957 11.0509 11.0525 k = 0.0102 0.0102 0.0102 ( 6619 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4090 -7.4090 -6.3043 -6.3043 -6.3013 -6.3012 -6.3012 -6.3011 0.8410 0.8417 0.8417 0.8425 1.4158 1.4158 2.4534 2.4534 2.5006 2.5007 2.5007 2.5023 2.9219 2.9219 3.0310 3.0322 3.0322 3.0329 3.5425 3.5488 3.5488 3.5499 3.5836 3.5855 3.5855 3.5999 3.6181 3.6181 4.0550 4.0550 4.1033 4.1148 4.1148 4.1252 4.1871 4.1941 4.1941 4.2034 4.2554 4.2554 4.7855 4.7855 4.8708 4.8708 4.9424 4.9490 4.9490 4.9511 5.9287 5.9287 5.9301 5.9325 5.9556 5.9556 7.4108 7.4108 7.4108 7.4108 8.0053 8.0053 8.2114 8.2114 8.2171 8.2174 8.9068 8.9068 11.0526 11.0534 k = 0.0204 0.0204 0.0204 ( 6604 PWs) bands (ev): -58.1391 -58.1391 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4070 -7.4070 -6.3052 -6.3052 -6.3024 -6.3020 -6.3020 -6.3020 0.8434 0.8448 0.8448 0.8465 1.4187 1.4187 2.4524 2.4524 2.4989 2.4989 2.5002 2.5035 2.9201 2.9201 3.0273 3.0305 3.0305 3.0311 3.5272 3.5312 3.5358 3.5358 3.5874 3.5874 3.5985 3.6203 3.6252 3.6252 4.0532 4.0532 4.0912 4.1148 4.1148 4.1330 4.1831 4.1933 4.1933 4.2136 4.2562 4.2562 4.7857 4.7857 4.8702 4.8702 4.9334 4.9508 4.9511 4.9511 5.9214 5.9214 5.9304 5.9350 5.9541 5.9541 7.4121 7.4121 7.4121 7.4122 8.0006 8.0006 8.1964 8.1964 8.2178 8.2185 8.9384 8.9384 11.0555 11.0569 k = 0.0306 0.0306 0.0306 ( 6580 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.4036 -7.4036 -6.3067 -6.3067 -6.3041 -6.3035 -6.3033 -6.3033 0.8478 0.8500 0.8500 0.8525 1.4236 1.4236 2.4505 2.4505 2.4963 2.4963 2.5000 2.5050 2.9170 2.9170 3.0219 3.0275 3.0277 3.0277 3.5109 3.5119 3.5205 3.5205 3.5847 3.5847 3.6157 3.6366 3.6366 3.6411 4.0501 4.0501 4.0789 4.1145 4.1145 4.1360 4.1844 4.1920 4.1920 4.2246 4.2576 4.2576 4.7859 4.7859 4.8688 4.8688 4.9215 4.9475 4.9553 4.9553 5.9077 5.9077 5.9314 5.9384 5.9534 5.9534 7.4143 7.4143 7.4144 7.4145 7.9917 7.9917 8.1764 8.1764 8.2191 8.2201 8.9872 8.9872 11.0613 11.0620 k = 0.0408 0.0408 0.0408 ( 6577 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3990 -7.3990 -6.3088 -6.3088 -6.3064 -6.3056 -6.3052 -6.3052 0.8543 0.8572 0.8572 0.8606 1.4303 1.4303 2.4471 2.4471 2.4934 2.4934 2.5002 2.5068 2.9127 2.9127 3.0147 3.0219 3.0238 3.0238 3.4904 3.4968 3.5042 3.5042 3.5781 3.5781 3.6336 3.6502 3.6502 3.6620 4.0459 4.0459 4.0663 4.1139 4.1139 4.1338 4.1903 4.1903 4.1914 4.2362 4.2598 4.2598 4.7857 4.7857 4.8663 4.8663 4.9071 4.9416 4.9623 4.9623 5.8873 5.8873 5.9330 5.9423 5.9536 5.9536 7.4174 7.4174 7.4175 7.4178 7.9774 7.9774 8.1561 8.1561 8.2210 8.2223 9.0490 9.0490 11.0692 11.0695 k = 0.0510 0.0510 0.0510 ( 6568 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3929 -7.3929 -6.3115 -6.3115 -6.3093 -6.3083 -6.3075 -6.3075 0.8628 0.8663 0.8663 0.8706 1.4389 1.4389 2.4416 2.4416 2.4907 2.4907 2.5006 2.5087 2.9072 2.9072 3.0058 3.0145 3.0188 3.0188 3.4700 3.4822 3.4873 3.4873 3.5684 3.5684 3.6520 3.6646 3.6646 3.6828 4.0407 4.0407 4.0538 4.1127 4.1127 4.1283 4.1882 4.1882 4.2022 4.2485 4.2627 4.2627 4.7848 4.7848 4.8628 4.8628 4.8906 4.9335 4.9726 4.9726 5.8609 5.8609 5.9351 5.9466 5.9544 5.9544 7.4214 7.4214 7.4216 7.4220 7.9567 7.9567 8.1396 8.1396 8.2232 8.2247 9.1203 9.1203 11.0784 11.0801 k = 0.0612 0.0612 0.0612 ( 6556 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3856 -7.3856 -6.3148 -6.3148 -6.3128 -6.3116 -6.3102 -6.3102 0.8731 0.8773 0.8773 0.8826 1.4493 1.4493 2.4335 2.4335 2.4888 2.4888 2.5013 2.5109 2.9003 2.9003 2.9952 3.0050 3.0127 3.0127 3.4500 3.4680 3.4701 3.4701 3.5561 3.5561 3.6708 3.6793 3.6793 3.7035 4.0347 4.0347 4.0411 4.1109 4.1109 4.1215 4.1860 4.1860 4.2149 4.2612 4.2668 4.2668 4.7827 4.7827 4.8588 4.8588 4.8724 4.9236 4.9864 4.9864 5.8291 5.8291 5.9374 5.9511 5.9555 5.9555 7.4263 7.4263 7.4266 7.4271 7.9304 7.9304 8.1282 8.1282 8.2257 8.2274 9.1982 9.1982 11.0894 11.0929 k = 0.0714 0.0714 0.0714 ( 6565 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3770 -7.3770 -6.3187 -6.3187 -6.3169 -6.3155 -6.3134 -6.3134 0.8852 0.8900 0.8900 0.8965 1.4613 1.4613 2.4226 2.4226 2.4880 2.4880 2.5023 2.5132 2.8922 2.8922 2.9828 2.9936 3.0057 3.0057 3.4305 3.4526 3.4526 3.4541 3.5412 3.5412 3.6898 3.6941 3.6941 3.7239 4.0278 4.0278 4.0285 4.1083 4.1083 4.1139 4.1836 4.1836 4.2287 4.2718 4.2718 4.2744 4.7793 4.7793 4.8530 4.8548 4.8548 4.9123 5.0037 5.0037 5.7925 5.7925 5.9396 5.9555 5.9566 5.9566 7.4321 7.4321 7.4324 7.4332 7.9003 7.9003 8.1215 8.1215 8.2284 8.2303 9.2804 9.2804 11.1020 11.1073 k = 0.0816 0.0816 0.0816 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3672 -7.3672 -6.3231 -6.3231 -6.3215 -6.3199 -6.3171 -6.3171 0.8990 0.9044 0.9044 0.9121 1.4749 1.4749 2.4090 2.4090 2.4882 2.4882 2.5036 2.5157 2.8827 2.8827 2.9689 2.9803 2.9978 2.9978 3.4117 3.4348 3.4348 3.4408 3.5240 3.5240 3.7087 3.7087 3.7089 3.7441 4.0160 4.0202 4.0202 4.1050 4.1050 4.1062 4.1811 4.1811 4.2432 4.2782 4.2782 4.2881 4.7743 4.7743 4.8332 4.8515 4.8515 4.9002 5.0242 5.0242 5.7517 5.7517 5.9417 5.9574 5.9574 5.9596 7.4388 7.4388 7.4392 7.4403 7.8688 7.8688 8.1184 8.1184 8.2312 8.2332 9.3650 9.3650 11.1161 11.1232 k = 0.0918 0.0918 0.0918 ( 6574 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3561 -7.3561 -6.3281 -6.3281 -6.3266 -6.3249 -6.3211 -6.3211 0.9144 0.9204 0.9204 0.9293 1.4901 1.4901 2.3927 2.3927 2.4891 2.4891 2.5050 2.5183 2.8719 2.8719 2.9535 2.9650 2.9890 2.9890 3.3936 3.4169 3.4169 3.4279 3.5047 3.5047 3.7232 3.7232 3.7282 3.7640 4.0035 4.0121 4.0121 4.0984 4.1010 4.1010 4.1786 4.1786 4.2582 4.2858 4.2858 4.3022 4.7680 4.7680 4.8132 4.8491 4.8491 4.8878 5.0477 5.0477 5.7072 5.7072 5.9433 5.9578 5.9578 5.9632 7.4463 7.4463 7.4469 7.4483 7.8375 7.8375 8.1176 8.1176 8.2339 8.2359 9.4506 9.4506 11.1318 11.1404 k = 0.1020 0.1020 0.1020 ( 6568 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3438 -7.3438 -6.3337 -6.3337 -6.3323 -6.3304 -6.3255 -6.3255 0.9312 0.9378 0.9378 0.9480 1.5066 1.5066 2.3741 2.3741 2.4908 2.4908 2.5068 2.5209 2.8598 2.8598 2.9366 2.9479 2.9796 2.9796 3.3763 3.3985 3.3985 3.4154 3.4835 3.4835 3.7373 3.7373 3.7475 3.7835 3.9912 4.0037 4.0037 4.0906 4.0964 4.0964 4.1761 4.1761 4.2735 4.2947 4.2947 4.3168 4.7608 4.7608 4.7938 4.8477 4.8477 4.8754 5.0740 5.0740 5.6596 5.6596 5.9444 5.9576 5.9576 5.9662 7.4547 7.4547 7.4554 7.4573 7.8076 7.8076 8.1183 8.1183 8.2365 8.2385 9.5357 9.5357 11.1485 11.1577 k = 0.1122 0.1122 0.1122 ( 6568 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3303 -7.3303 -6.3396 -6.3396 -6.3384 -6.3363 -6.3302 -6.3302 0.9492 0.9564 0.9564 0.9680 1.5244 1.5244 2.3532 2.3532 2.4930 2.4930 2.5088 2.5236 2.8465 2.8465 2.9186 2.9291 2.9695 2.9695 3.3599 3.3795 3.3795 3.4032 3.4609 3.4609 3.7510 3.7510 3.7666 3.8024 3.9793 3.9949 3.9949 4.0830 4.0916 4.0916 4.1736 4.1736 4.2892 4.3047 4.3047 4.3317 4.7532 4.7532 4.7753 4.8469 4.8469 4.8635 5.1028 5.1028 5.6095 5.6095 5.9448 5.9569 5.9569 5.9684 7.4639 7.4639 7.4649 7.4672 7.7800 7.7800 8.1200 8.1200 8.2389 8.2408 9.6191 9.6191 11.1666 11.1762 k = 0.1224 0.1224 0.1224 ( 6562 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3157 -7.3157 -6.3461 -6.3461 -6.3449 -6.3427 -6.3353 -6.3353 0.9683 0.9761 0.9761 0.9892 1.5432 1.5432 2.3302 2.3302 2.4955 2.4955 2.5110 2.5262 2.8320 2.8320 2.8995 2.9089 2.9590 2.9590 3.3444 3.3594 3.3594 3.3913 3.4375 3.4375 3.7642 3.7642 3.7855 3.8208 3.9678 3.9859 3.9859 4.0757 4.0867 4.0867 4.1711 4.1711 4.3051 4.3160 4.3160 4.3470 4.7458 4.7458 4.7582 4.8466 4.8466 4.8524 5.1341 5.1341 5.5574 5.5574 5.9445 5.9554 5.9554 5.9698 7.4740 7.4740 7.4752 7.4780 7.7552 7.7552 8.1223 8.1223 8.2411 8.2428 9.6995 9.6995 11.1860 11.1956 k = 0.1327 0.1327 0.1327 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7279 -31.7279 -31.7279 -31.7279 -7.3000 -7.3000 -6.3529 -6.3529 -6.3518 -6.3495 -6.3408 -6.3408 0.9882 0.9966 0.9966 1.0113 1.5629 1.5629 2.3053 2.3053 2.4984 2.4984 2.5134 2.5286 2.8164 2.8164 2.8795 2.8875 2.9481 2.9481 3.3298 3.3377 3.3377 3.3798 3.4142 3.4142 3.7768 3.7768 3.8039 3.8384 3.9569 3.9768 3.9768 4.0688 4.0819 4.0819 4.1686 4.1686 4.3211 4.3284 4.3284 4.3627 4.7390 4.7390 4.7429 4.8423 4.8465 4.8465 5.1674 5.1674 5.5037 5.5037 5.9435 5.9533 5.9533 5.9703 7.4848 7.4848 7.4863 7.4898 7.7334 7.7334 8.1250 8.1250 8.2430 8.2446 9.7760 9.7760 11.2064 11.2164 k = 0.1429 0.1429 0.1429 ( 6553 PWs) bands (ev): -58.1390 -58.1390 -32.5542 -32.5542 -31.7280 -31.7280 -31.7280 -31.7279 -7.2833 -7.2833 -6.3601 -6.3601 -6.3591 -6.3567 -6.3465 -6.3465 1.0088 1.0177 1.0177 1.0342 1.5832 1.5832 2.2786 2.2786 2.5014 2.5014 2.5159 2.5307 2.8000 2.8000 2.8590 2.8654 2.9368 2.9368 3.3137 3.3137 3.3160 3.3685 3.3920 3.3920 3.7886 3.7886 3.8215 3.8551 3.9469 3.9678 3.9678 4.0626 4.0774 4.0774 4.1661 4.1661 4.3372 4.3418 4.3418 4.3786 4.7297 4.7333 4.7333 4.8336 4.8462 4.8462 5.2028 5.2028 5.4491 5.4491 5.9417 5.9505 5.9505 5.9700 7.4964 7.4964 7.4983 7.5025 7.7151 7.7151 8.1280 8.1280 8.2447 8.2460 9.8477 9.8477 11.2279 11.2372 k = 0.1531 0.1531 0.1531 ( 6541 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.2655 -7.2655 -6.3677 -6.3677 -6.3668 -6.3642 -6.3524 -6.3524 1.0298 1.0393 1.0393 1.0576 1.6038 1.6038 2.2503 2.2503 2.5046 2.5046 2.5185 2.5324 2.7829 2.7829 2.8381 2.8429 2.9255 2.9255 3.2869 3.2869 3.3031 3.3573 3.3716 3.3716 3.7996 3.7996 3.8379 3.8707 3.9383 3.9589 3.9589 4.0571 4.0733 4.0733 4.1636 4.1636 4.3534 4.3562 4.3562 4.3949 4.7187 4.7288 4.7288 4.8265 4.8457 4.8457 5.2400 5.2400 5.3940 5.3940 5.9392 5.9471 5.9471 5.9688 7.5087 7.5087 7.5110 7.5160 7.7001 7.7001 8.1311 8.1311 8.2461 8.2471 9.9138 9.9138 11.2504 11.2591 k = 0.1633 0.1633 0.1633 ( 6541 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.2468 -7.2468 -6.3755 -6.3755 -6.3747 -6.3720 -6.3586 -6.3586 1.0509 1.0610 1.0610 1.0812 1.6245 1.6245 2.2206 2.2206 2.5077 2.5077 2.5211 2.5334 2.7655 2.7655 2.8173 2.8205 2.9140 2.9140 3.2575 3.2575 3.2908 3.3463 3.3532 3.3532 3.8095 3.8095 3.8522 3.8849 3.9319 3.9503 3.9503 4.0526 4.0697 4.0697 4.1613 4.1613 4.3694 4.3715 4.3715 4.4114 4.7103 4.7256 4.7256 4.8209 4.8446 4.8446 5.2787 5.2787 5.3391 5.3391 5.9362 5.9432 5.9432 5.9670 7.5217 7.5217 7.5243 7.5303 7.6887 7.6887 8.1344 8.1344 8.2475 8.2481 9.9739 9.9739 11.2737 11.2820 k = 0.1735 0.1735 0.1735 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.2272 -7.2272 -6.3836 -6.3836 -6.3828 -6.3800 -6.3651 -6.3651 1.0720 1.0825 1.0825 1.1048 1.6449 1.6449 2.1896 2.1896 2.5108 2.5108 2.5236 2.5336 2.7480 2.7480 2.7968 2.7989 2.9024 2.9024 3.2261 3.2261 3.2792 3.3355 3.3367 3.3367 3.8183 3.8183 3.8629 3.8976 3.9292 3.9423 3.9423 4.0493 4.0667 4.0667 4.1590 4.1590 4.3852 4.3875 4.3875 4.4281 4.7045 4.7239 4.7239 4.8171 4.8428 4.8428 5.2838 5.2838 5.3198 5.3198 5.9326 5.9388 5.9388 5.9644 7.5352 7.5352 7.5384 7.5454 7.6808 7.6808 8.1378 8.1378 8.2487 8.2489 10.0277 10.0277 11.2978 11.3051 k = 0.1837 0.1837 0.1837 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.2068 -7.2068 -6.3920 -6.3920 -6.3912 -6.3883 -6.3717 -6.3717 1.0926 1.1037 1.1037 1.1281 1.6643 1.6643 2.1577 2.1577 2.5136 2.5136 2.5260 2.5327 2.7310 2.7310 2.7770 2.7786 2.8909 2.8909 3.1934 3.1934 3.2682 3.3218 3.3218 3.3246 3.8257 3.8257 3.8685 3.9085 3.9316 3.9350 3.9350 4.0474 4.0642 4.0642 4.1568 4.1568 4.4007 4.4042 4.4042 4.4449 4.7014 4.7237 4.7237 4.8151 4.8399 4.8399 5.2307 5.2307 5.3612 5.3612 5.9288 5.9343 5.9343 5.9615 7.5492 7.5492 7.5530 7.5611 7.6764 7.6764 8.1415 8.1415 8.2497 8.2500 10.0752 10.0752 11.3226 11.3280 k = 0.1939 0.1939 0.1939 ( 6565 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.1856 -7.1856 -6.4005 -6.4005 -6.3997 -6.3968 -6.3784 -6.3784 1.1127 1.1241 1.1241 1.1507 1.6825 1.6825 2.1253 2.1253 2.5162 2.5162 2.5282 2.5306 2.7149 2.7149 2.7584 2.7603 2.8794 2.8794 3.1600 3.1600 3.2577 3.3081 3.3081 3.3139 3.8318 3.8318 3.8691 3.9176 3.9286 3.9286 3.9391 4.0472 4.0623 4.0623 4.1547 4.1547 4.4158 4.4213 4.4213 4.4616 4.7011 4.7249 4.7249 4.8149 4.8357 4.8357 5.1789 5.1789 5.4042 5.4042 5.9248 5.9297 5.9297 5.9583 7.5637 7.5637 7.5680 7.5773 7.6754 7.6754 8.1455 8.1455 8.2505 8.2513 10.1165 10.1165 11.3469 11.3510 k = 0.2041 0.2041 0.2041 ( 6565 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.1636 -7.1636 -6.4091 -6.4091 -6.4084 -6.4054 -6.3853 -6.3853 1.1317 1.1436 1.1436 1.1723 1.6985 1.6985 2.0929 2.0929 2.5184 2.5184 2.5271 2.5301 2.7002 2.7002 2.7413 2.7444 2.8681 2.8681 3.1268 3.1268 3.2477 3.2953 3.2953 3.3032 3.8362 3.8362 3.8668 3.9235 3.9235 3.9250 3.9497 4.0485 4.0608 4.0608 4.1528 4.1528 4.4304 4.4388 4.4388 4.4782 4.7035 4.7275 4.7275 4.8166 4.8299 4.8299 5.1295 5.1295 5.4482 5.4482 5.9211 5.9253 5.9253 5.9551 7.5785 7.5785 7.5835 7.5941 7.6778 7.6778 8.1499 8.1499 8.2516 8.2529 10.1520 10.1520 11.3715 11.3732 k = 0.2143 0.2143 0.2143 ( 6556 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7280 -31.7280 -31.7280 -31.7280 -7.1411 -7.1411 -6.4178 -6.4178 -6.4171 -6.4141 -6.3923 -6.3923 1.1496 1.1617 1.1617 1.1927 1.7116 1.7116 2.0610 2.0610 2.5201 2.5201 2.5222 2.5317 2.6873 2.6873 2.7261 2.7315 2.8570 2.8570 3.0944 3.0944 3.2380 3.2834 3.2834 3.2926 3.8390 3.8390 3.8633 3.9198 3.9198 3.9307 3.9617 4.0511 4.0598 4.0598 4.1510 4.1510 4.4442 4.4563 4.4563 4.4946 4.7086 4.7311 4.7311 4.8202 4.8219 4.8219 5.0834 5.0834 5.4933 5.4933 5.9176 5.9213 5.9213 5.9521 7.5936 7.5936 7.5992 7.6112 7.6835 7.6835 8.1547 8.1547 8.2530 8.2549 10.1820 10.1820 11.3947 11.3957 k = 0.2245 0.2245 0.2245 ( 6562 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7281 -31.7281 -31.7281 -31.7281 -7.1180 -7.1180 -6.4266 -6.4266 -6.4259 -6.4229 -6.3994 -6.3994 1.1659 1.1783 1.1783 1.2114 1.7207 1.7207 2.0307 2.0307 2.5162 2.5212 2.5212 2.5328 2.6766 2.6766 2.7131 2.7215 2.8461 2.8461 3.0633 3.0633 3.2288 3.2720 3.2720 3.2820 3.8403 3.8403 3.8596 3.9176 3.9176 3.9353 3.9738 4.0549 4.0590 4.0590 4.1493 4.1493 4.4573 4.4737 4.4737 4.5104 4.7160 4.7352 4.7352 4.8117 4.8117 4.8254 5.0414 5.0414 5.5391 5.5391 5.9149 5.9179 5.9179 5.9495 7.6089 7.6089 7.6152 7.6285 7.6922 7.6922 8.1601 8.1601 8.2548 8.2572 10.2071 10.2071 11.4147 11.4181 k = 0.2347 0.2347 0.2347 ( 6562 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -7.0944 -7.0944 -6.4355 -6.4355 -6.4348 -6.4317 -6.4065 -6.4065 1.1806 1.1930 1.1930 1.2283 1.7244 1.7244 2.0028 2.0028 2.5095 2.5218 2.5218 2.5336 2.6683 2.6683 2.7026 2.7145 2.8354 2.8354 3.0342 3.0342 3.2198 3.2612 3.2612 3.2714 3.8402 3.8402 3.8563 3.9167 3.9167 3.9390 3.9857 4.0585 4.0585 4.0594 4.1478 4.1478 4.4696 4.4906 4.4906 4.5256 4.7256 4.7384 4.7384 4.7997 4.7997 4.8323 5.0046 5.0046 5.5856 5.5856 5.9131 5.9155 5.9155 5.9479 7.6244 7.6244 7.6312 7.6459 7.7039 7.7039 8.1662 8.1662 8.2571 8.2602 10.2277 10.2277 11.4324 11.4390 k = 0.2449 0.2449 0.2449 ( 6559 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -7.0704 -7.0704 -6.4443 -6.4443 -6.4436 -6.4405 -6.4136 -6.4136 1.1932 1.2056 1.2056 1.2429 1.7214 1.7214 1.9785 1.9785 2.5027 2.5220 2.5220 2.5340 2.6626 2.6626 2.6947 2.7100 2.8251 2.8251 3.0075 3.0075 3.2112 3.2509 3.2509 3.2610 3.8390 3.8390 3.8537 3.9170 3.9170 3.9422 3.9972 4.0582 4.0582 4.0643 4.1464 4.1464 4.4810 4.5069 4.5069 4.5400 4.7367 4.7367 4.7371 4.7893 4.7893 4.8406 4.9736 4.9736 5.6326 5.6326 5.9126 5.9144 5.9144 5.9473 7.6399 7.6399 7.6471 7.6634 7.7184 7.7184 8.1730 8.1730 8.2602 8.2638 10.2443 10.2443 11.4470 11.4561 k = 0.2551 0.2551 0.2551 ( 6547 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -7.0461 -7.0461 -6.4530 -6.4530 -6.4523 -6.4493 -6.4208 -6.4208 1.2038 1.2159 1.2159 1.2550 1.7108 1.7108 1.9585 1.9585 2.4965 2.5222 2.5222 2.5343 2.6594 2.6594 2.6894 2.7078 2.8152 2.8152 2.9837 2.9837 3.2029 3.2410 3.2410 3.2506 3.8373 3.8373 3.8520 3.9181 3.9181 3.9454 4.0080 4.0579 4.0579 4.0693 4.1451 4.1451 4.4917 4.5222 4.5222 4.5534 4.7243 4.7243 4.7498 4.7862 4.7862 4.8502 4.9486 4.9486 5.6800 5.6800 5.9139 5.9150 5.9150 5.9483 7.6554 7.6554 7.6629 7.6806 7.7356 7.7356 8.1805 8.1805 8.2640 8.2681 10.2574 10.2574 11.4570 11.4683 k = 0.2653 0.2653 0.2653 ( 6541 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -7.0215 -7.0215 -6.4617 -6.4617 -6.4610 -6.4579 -6.4279 -6.4279 1.2121 1.2239 1.2239 1.2645 1.6927 1.6927 1.9426 1.9426 2.4915 2.5228 2.5228 2.5349 2.6584 2.6584 2.6864 2.7074 2.8058 2.8058 2.9633 2.9633 3.1948 3.2314 3.2314 3.2404 3.8351 3.8351 3.8511 3.9199 3.9199 3.9487 4.0181 4.0577 4.0577 4.0742 4.1438 4.1438 4.5015 4.5364 4.5364 4.5658 4.7018 4.7018 4.7635 4.7905 4.7905 4.8605 4.9289 4.9289 5.7276 5.7276 5.9172 5.9175 5.9175 5.9512 7.6707 7.6707 7.6785 7.6976 7.7554 7.7554 8.1890 8.1890 8.2687 8.2732 10.2675 10.2675 11.4614 11.4750 k = 0.2755 0.2755 0.2755 ( 6541 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -6.9968 -6.9968 -6.4702 -6.4702 -6.4695 -6.4665 -6.4350 -6.4350 1.2181 1.2293 1.2293 1.2713 1.6680 1.6680 1.9298 1.9298 2.4882 2.5241 2.5241 2.5358 2.6592 2.6592 2.6856 2.7083 2.7969 2.7969 2.9466 2.9466 3.1871 3.2222 3.2222 3.2303 3.8329 3.8329 3.8512 3.9221 3.9221 3.9522 4.0275 4.0575 4.0575 4.0788 4.1426 4.1426 4.5107 4.5490 4.5490 4.5772 4.6744 4.6744 4.7774 4.7980 4.7980 4.8712 4.9134 4.9134 5.7751 5.7751 5.9224 5.9224 5.9229 5.9564 7.6857 7.6857 7.6937 7.7141 7.7776 7.7776 8.1983 8.1983 8.2743 8.2792 10.2748 10.2748 11.4585 11.4743 k = 0.2857 0.2857 0.2857 ( 6535 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7281 -31.7281 -31.7281 -31.7281 -6.9721 -6.9721 -6.4786 -6.4786 -6.4779 -6.4749 -6.4420 -6.4420 1.2218 1.2324 1.2324 1.2752 1.6383 1.6383 1.9185 1.9185 2.4869 2.5265 2.5265 2.5376 2.6616 2.6616 2.6865 2.7103 2.7885 2.7885 2.9339 2.9339 3.1796 3.2133 3.2133 3.2204 3.8308 3.8308 3.8522 3.9245 3.9245 3.9563 4.0363 4.0572 4.0572 4.0830 4.1413 4.1413 4.5193 4.5597 4.5597 4.5874 4.6458 4.6458 4.7910 4.8063 4.8063 4.8818 4.9012 4.9012 5.8225 5.8225 5.9300 5.9300 5.9314 5.9643 7.7004 7.7004 7.7085 7.7302 7.8022 7.8022 8.2084 8.2084 8.2809 8.2860 10.2799 10.2799 11.4468 11.4651 k = 0.2959 0.2959 0.2959 ( 6541 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7282 -31.7282 -6.9474 -6.9474 -6.4869 -6.4869 -6.4860 -6.4831 -6.4490 -6.4490 1.2233 1.2330 1.2330 1.2764 1.6051 1.6051 1.9073 1.9073 2.4879 2.5302 2.5302 2.5404 2.6651 2.6651 2.6889 2.7129 2.7806 2.7806 2.9252 2.9252 3.1724 3.2047 3.2047 3.2107 3.8288 3.8288 3.8543 3.9271 3.9271 3.9608 4.0444 4.0567 4.0567 4.0868 4.1400 4.1400 4.5273 4.5664 4.5664 4.5967 4.6198 4.6198 4.8040 4.8137 4.8137 4.8917 4.8917 4.8918 5.8693 5.8693 5.9409 5.9409 5.9430 5.9752 7.7145 7.7145 7.7229 7.7456 7.8289 7.8289 8.2193 8.2193 8.2885 8.2936 10.2830 10.2830 11.4249 11.4458 k = 0.3061 0.3061 0.3061 ( 6545 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7282 -31.7282 -6.9228 -6.9228 -6.4949 -6.4949 -6.4940 -6.4912 -6.4558 -6.4558 1.2226 1.2313 1.2313 1.2750 1.5696 1.5696 1.8954 1.8954 2.4912 2.5354 2.5354 2.5442 2.6695 2.6695 2.6925 2.7161 2.7732 2.7732 2.9207 2.9207 3.1656 3.1964 3.1964 3.2012 3.8270 3.8270 3.8573 3.9298 3.9298 3.9657 4.0518 4.0561 4.0561 4.0902 4.1385 4.1385 4.5350 4.5622 4.5622 4.6046 4.6046 4.6050 4.8158 4.8189 4.8189 4.8850 4.8850 4.9009 5.9147 5.9147 5.9559 5.9559 5.9579 5.9893 7.7282 7.7282 7.7367 7.7604 7.8576 7.8576 8.2310 8.2310 8.2971 8.3020 10.2843 10.2843 11.3919 11.4152 k = 0.3163 0.3163 0.3163 ( 6545 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.8985 -6.8985 -6.5026 -6.5026 -6.5017 -6.4990 -6.4626 -6.4626 1.2200 1.2276 1.2276 1.2713 1.5330 1.5330 1.8821 1.8821 2.4967 2.5420 2.5420 2.5492 2.6747 2.6747 2.6969 2.7195 2.7661 2.7661 2.9201 2.9201 3.1591 3.1885 3.1885 3.1921 3.8255 3.8255 3.8613 3.9327 3.9327 3.9712 4.0553 4.0553 4.0587 4.0931 4.1368 4.1368 4.5423 4.5433 4.5433 4.6047 4.6047 4.6125 4.8207 4.8207 4.8260 4.8812 4.8812 4.9084 5.9550 5.9550 5.9763 5.9787 5.9787 6.0069 7.7415 7.7415 7.7501 7.7745 7.8882 7.8882 8.2433 8.2433 8.3064 8.3111 10.2842 10.2842 11.3472 11.3727 k = 0.3265 0.3265 0.3265 ( 6557 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.8745 -6.8745 -6.5101 -6.5101 -6.5092 -6.5065 -6.4693 -6.4693 1.2158 1.2221 1.2221 1.2653 1.4958 1.4958 1.8672 1.8672 2.5042 2.5499 2.5499 2.5554 2.6802 2.6802 2.7020 2.7231 2.7593 2.7593 2.9233 2.9233 3.1529 3.1808 3.1808 3.1832 3.8242 3.8242 3.8662 3.9355 3.9355 3.9772 4.0543 4.0543 4.0650 4.0956 4.1348 4.1348 4.5200 4.5200 4.5493 4.6104 4.6104 4.6192 4.8188 4.8188 4.8343 4.8801 4.8801 4.9142 5.9838 5.9838 5.9983 6.0156 6.0156 6.0280 7.7543 7.7543 7.7630 7.7879 7.9203 7.9203 8.2560 8.2560 8.3166 8.3207 10.2829 10.2829 11.2912 11.3184 k = 0.3367 0.3367 0.3367 ( 6557 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.8510 -6.8510 -6.5173 -6.5173 -6.5163 -6.5137 -6.4758 -6.4758 1.2100 1.2150 1.2150 1.2576 1.4587 1.4587 1.8510 1.8510 2.5136 2.5590 2.5590 2.5625 2.6861 2.6861 2.7075 2.7267 2.7529 2.7529 2.9299 2.9299 3.1471 3.1735 3.1735 3.1748 3.8231 3.8231 3.8720 3.9385 3.9385 3.9835 4.0531 4.0531 4.0707 4.0976 4.1326 4.1326 4.4975 4.4975 4.5562 4.6171 4.6171 4.6252 4.8137 4.8137 4.8406 4.8805 4.8805 4.9178 6.0094 6.0094 6.0238 6.0526 6.0581 6.0581 7.7668 7.7668 7.7756 7.8007 7.9537 7.9537 8.2689 8.2689 8.3272 8.3307 10.2806 10.2806 11.2250 11.2534 k = 0.3469 0.3469 0.3469 ( 6533 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.8279 -6.8279 -6.5242 -6.5242 -6.5231 -6.5207 -6.4823 -6.4823 1.2031 1.2066 1.2066 1.2483 1.4221 1.4221 1.8334 1.8334 2.5246 2.5692 2.5692 2.5706 2.6920 2.6920 2.7133 2.7302 2.7469 2.7469 2.9394 2.9394 3.1418 3.1666 3.1666 3.1668 3.8222 3.8222 3.8787 3.9414 3.9414 3.9903 4.0517 4.0517 4.0761 4.0992 4.1301 4.1301 4.4770 4.4770 4.5631 4.6239 4.6239 4.6308 4.8066 4.8066 4.8448 4.8811 4.8811 4.9193 6.0367 6.0367 6.0526 6.0805 6.1009 6.1009 7.7792 7.7792 7.7878 7.8130 7.9881 7.9881 8.2819 8.2819 8.3382 8.3408 10.2775 10.2775 11.1500 11.1793 k = 0.3571 0.3571 0.3571 ( 6530 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.8055 -6.8055 -6.5307 -6.5307 -6.5296 -6.5273 -6.4887 -6.4887 1.1952 1.1972 1.1972 1.2379 1.3864 1.3864 1.8150 1.8150 2.5368 2.5793 2.5800 2.5800 2.6978 2.6978 2.7191 2.7334 2.7412 2.7412 2.9513 2.9513 3.1368 3.1592 3.1600 3.1600 3.8213 3.8213 3.8862 3.9443 3.9443 3.9972 4.0500 4.0500 4.0809 4.1004 4.1274 4.1274 4.4589 4.4589 4.5699 4.6306 4.6306 4.6358 4.7982 4.7982 4.8469 4.8810 4.8810 4.9184 6.0664 6.0664 6.0843 6.1114 6.1428 6.1428 7.7914 7.7914 7.7998 7.8247 8.0231 8.0231 8.2947 8.2947 8.3493 8.3509 10.2738 10.2738 11.0684 11.0981 k = 0.3673 0.3673 0.3673 ( 6542 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7282 -31.7282 -31.7282 -31.7282 -6.7837 -6.7837 -6.5369 -6.5369 -6.5357 -6.5335 -6.4949 -6.4949 1.1867 1.1872 1.1872 1.2267 1.3520 1.3520 1.7961 1.7961 2.5499 2.5885 2.5914 2.5914 2.7032 2.7032 2.7248 2.7361 2.7361 2.7362 2.9650 2.9650 3.1323 3.1521 3.1538 3.1538 3.8205 3.8205 3.8944 3.9471 3.9471 4.0042 4.0479 4.0479 4.0853 4.1011 4.1245 4.1245 4.4434 4.4434 4.5767 4.6370 4.6370 4.6405 4.7890 4.7890 4.8470 4.8796 4.8796 4.9153 6.0983 6.0983 6.1187 6.1448 6.1833 6.1833 7.8037 7.8037 7.8117 7.8362 8.0585 8.0585 8.3071 8.3071 8.3602 8.3606 10.2696 10.2696 10.9822 11.0119 k = 0.3776 0.3776 0.3776 ( 6551 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.7627 -6.7627 -6.5427 -6.5427 -6.5414 -6.5394 -6.5011 -6.5011 1.1767 1.1767 1.1778 1.2149 1.3190 1.3190 1.7770 1.7770 2.5637 2.5981 2.6032 2.6032 2.7078 2.7078 2.7301 2.7319 2.7319 2.7387 2.9800 2.9800 3.1281 3.1455 3.1480 3.1480 3.8196 3.8196 3.9032 3.9499 3.9499 4.0111 4.0456 4.0456 4.0892 4.1014 4.1215 4.1215 4.4305 4.4305 4.5837 4.6432 4.6432 4.6448 4.7795 4.7795 4.8452 4.8768 4.8768 4.9101 6.1319 6.1319 6.1551 6.1802 6.2221 6.2221 7.8161 7.8161 7.8236 7.8474 8.0938 8.0938 8.3187 8.3187 8.3698 8.3705 10.2651 10.2651 10.8935 10.9229 k = 0.3878 0.3878 0.3878 ( 6551 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.7426 -6.7426 -6.5481 -6.5481 -6.5467 -6.5448 -6.5072 -6.5072 1.1660 1.1660 1.1688 1.2029 1.2878 1.2878 1.7582 1.7582 2.5779 2.6079 2.6149 2.6149 2.7109 2.7109 2.7293 2.7293 2.7351 2.7406 2.9958 2.9958 3.1244 3.1394 3.1426 3.1426 3.8186 3.8186 3.9126 3.9525 3.9525 4.0179 4.0430 4.0430 4.0928 4.1014 4.1185 4.1185 4.4201 4.4201 4.5909 4.6489 4.6493 4.6493 4.7700 4.7700 4.8418 4.8726 4.8726 4.9031 6.1667 6.1667 6.1929 6.2169 6.2591 6.2591 7.8287 7.8287 7.8356 7.8584 8.1286 8.1286 8.3295 8.3295 8.3783 8.3801 10.2603 10.2603 10.8044 10.8331 k = 0.3980 0.3980 0.3980 ( 6560 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.7234 -6.7234 -6.5531 -6.5531 -6.5516 -6.5499 -6.5133 -6.5133 1.1554 1.1554 1.1600 1.1910 1.2587 1.2587 1.7399 1.7399 2.5922 2.6177 2.6266 2.6266 2.7115 2.7115 2.7290 2.7290 2.7394 2.7421 3.0118 3.0118 3.1212 3.1339 3.1377 3.1377 3.8175 3.8175 3.9225 3.9550 3.9550 4.0243 4.0402 4.0402 4.0959 4.1011 4.1157 4.1157 4.4120 4.4120 4.5983 4.6529 4.6552 4.6552 4.7606 4.7606 4.8371 4.8669 4.8669 4.8943 6.2019 6.2019 6.2314 6.2542 6.2941 6.2941 7.8417 7.8417 7.8478 7.8694 8.1623 8.1623 8.3393 8.3393 8.3857 8.3887 10.2555 10.2555 10.7165 10.7446 k = 0.4082 0.4082 0.4082 ( 6554 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.7051 -6.7051 -6.5576 -6.5576 -6.5561 -6.5545 -6.5194 -6.5194 1.1451 1.1451 1.1515 1.1794 1.2317 1.2317 1.7225 1.7225 2.6063 2.6274 2.6379 2.6379 2.7101 2.7101 2.7309 2.7309 2.7430 2.7430 3.0277 3.0277 3.1183 3.1290 3.1333 3.1333 3.8163 3.8163 3.9328 3.9573 3.9573 4.0301 4.0373 4.0373 4.0987 4.1007 4.1133 4.1133 4.4060 4.4060 4.6061 4.6567 4.6608 4.6608 4.7517 4.7517 4.8313 4.8601 4.8601 4.8842 6.2368 6.2368 6.2699 6.2913 6.3268 6.3268 7.8550 7.8550 7.8602 7.8804 8.1944 8.1944 8.3480 8.3480 8.3919 8.3959 10.2507 10.2507 10.6318 10.6589 k = 0.4184 0.4184 0.4184 ( 6566 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6878 -6.6878 -6.5617 -6.5617 -6.5601 -6.5587 -6.5255 -6.5255 1.1353 1.1353 1.1435 1.1683 1.2072 1.2072 1.7062 1.7062 2.6201 2.6369 2.6487 2.6487 2.7077 2.7077 2.7334 2.7334 2.7433 2.7458 3.0430 3.0430 3.1159 3.1247 3.1293 3.1293 3.8150 3.8150 3.9433 3.9593 3.9593 4.0344 4.0344 4.0351 4.1001 4.1010 4.1111 4.1111 4.4017 4.4017 4.6141 4.6604 4.6661 4.6661 4.7437 4.7437 4.8248 4.8522 4.8522 4.8729 6.2704 6.2704 6.3075 6.3273 6.3571 6.3571 7.8686 7.8686 7.8728 7.8913 8.2242 8.2242 8.3556 8.3556 8.3968 8.4017 10.2461 10.2461 10.5517 10.5777 k = 0.4286 0.4286 0.4286 ( 6566 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6716 -6.6716 -6.5654 -6.5654 -6.5637 -6.5624 -6.5317 -6.5317 1.1260 1.1260 1.1363 1.1579 1.1854 1.1854 1.6914 1.6914 2.6334 2.6461 2.6588 2.6588 2.7054 2.7054 2.7358 2.7358 2.7431 2.7476 3.0574 3.0574 3.1138 3.1209 3.1259 3.1259 3.8135 3.8135 3.9541 3.9611 3.9611 4.0315 4.0315 4.0390 4.0996 4.1029 4.1093 4.1093 4.3989 4.3989 4.6224 4.6640 4.6706 4.6706 4.7371 4.7371 4.8179 4.8435 4.8435 4.8610 6.3021 6.3021 6.3434 6.3615 6.3849 6.3849 7.8824 7.8824 7.8854 7.9020 8.2508 8.2508 8.3625 8.3625 8.4004 8.4059 10.2416 10.2416 10.4776 10.5024 k = 0.4388 0.4388 0.4388 ( 6572 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6564 -6.6564 -6.5686 -6.5686 -6.5668 -6.5657 -6.5380 -6.5380 1.1174 1.1174 1.1299 1.1484 1.1664 1.1664 1.6781 1.6781 2.6458 2.6548 2.6678 2.6678 2.7035 2.7035 2.7378 2.7378 2.7424 2.7485 3.0706 3.0706 3.1122 3.1178 3.1229 3.1229 3.8120 3.8120 3.9625 3.9625 3.9647 4.0290 4.0290 4.0414 4.0994 4.1044 4.1079 4.1079 4.3973 4.3973 4.6310 4.6674 4.6742 4.6742 4.7323 4.7323 4.8109 4.8344 4.8344 4.8487 6.3310 6.3310 6.3769 6.3929 6.4098 6.4098 7.8960 7.8960 7.8978 7.9125 8.2733 8.2733 8.3692 8.3692 8.4027 8.4084 10.2375 10.2375 10.4109 10.4344 k = 0.4490 0.4490 0.4490 ( 6590 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6423 -6.6423 -6.5713 -6.5713 -6.5694 -6.5685 -6.5446 -6.5446 1.1097 1.1097 1.1245 1.1399 1.1504 1.1504 1.6667 1.6667 2.6572 2.6629 2.6755 2.6755 2.7024 2.7024 2.7391 2.7391 2.7413 2.7485 3.0822 3.0822 3.1108 3.1151 3.1204 3.1204 3.8105 3.8105 3.9636 3.9636 3.9753 4.0267 4.0267 4.0422 4.0995 4.1055 4.1068 4.1068 4.3965 4.3965 4.6396 4.6705 4.6762 4.6762 4.7299 4.7299 4.8043 4.8250 4.8250 4.8363 6.3564 6.3564 6.4070 6.4209 6.4318 6.4318 7.9091 7.9091 7.9099 7.9223 8.2909 8.2909 8.3761 8.3761 8.4038 8.4095 10.2338 10.2338 10.3527 10.3735 k = 0.4592 0.4592 0.4592 ( 6596 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6292 -6.6292 -6.5735 -6.5735 -6.5715 -6.5708 -6.5513 -6.5513 1.1028 1.1028 1.1202 1.1325 1.1375 1.1375 1.6571 1.6571 2.6673 2.6702 2.6813 2.6813 2.7025 2.7025 2.7398 2.7398 2.7400 2.7475 3.0920 3.0920 3.1098 3.1130 3.1186 3.1186 3.8092 3.8092 3.9645 3.9645 3.9857 4.0249 4.0249 4.0413 4.1002 4.1060 4.1060 4.1061 4.3964 4.3964 4.6481 4.6733 4.6766 4.6766 4.7302 4.7302 4.7984 4.8157 4.8157 4.8244 6.3777 6.3777 6.4332 6.4445 6.4505 6.4505 7.9210 7.9212 7.9212 7.9311 8.3030 8.3030 8.3837 8.3837 8.4041 8.4093 10.2305 10.2305 10.3041 10.3212 k = 0.4694 0.4694 0.4694 ( 6584 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6173 -6.6173 -6.5753 -6.5753 -6.5732 -6.5726 -6.5583 -6.5583 1.0971 1.0971 1.1171 1.1263 1.1277 1.1277 1.6495 1.6495 2.6759 2.6768 2.6849 2.6849 2.7041 2.7041 2.7388 2.7400 2.7400 2.7458 3.0997 3.0997 3.1091 3.1113 3.1173 3.1173 3.8080 3.8080 3.9651 3.9651 3.9957 4.0235 4.0235 4.0386 4.1012 4.1054 4.1054 4.1064 4.3965 4.3965 4.6562 4.6753 4.6760 4.6760 4.7326 4.7326 4.7937 4.8069 4.8069 4.8135 6.3946 6.3946 6.4546 6.4634 6.4656 6.4656 7.9308 7.9317 7.9317 7.9385 8.3102 8.3102 8.3915 8.3915 8.4040 8.4082 10.2276 10.2276 10.2660 10.2791 k = 0.4796 0.4796 0.4796 ( 6584 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6065 -6.6065 -6.5766 -6.5766 -6.5743 -6.5740 -6.5654 -6.5654 1.0926 1.0926 1.1153 1.1209 1.1209 1.1215 1.6441 1.6441 2.6820 2.6823 2.6865 2.6865 2.7065 2.7065 2.7380 2.7397 2.7397 2.7436 3.1050 3.1050 3.1087 3.1101 3.1166 3.1166 3.8071 3.8071 3.9655 3.9655 4.0051 4.0225 4.0225 4.0343 4.1024 4.1051 4.1051 4.1063 4.3968 4.3968 4.6634 4.6748 4.6748 4.6763 4.7360 4.7360 4.7908 4.7994 4.7994 4.8041 6.4068 6.4068 6.4708 6.4767 6.4767 6.4767 7.9387 7.9399 7.9399 7.9438 8.3139 8.3139 8.3981 8.3981 8.4037 8.4068 10.2247 10.2247 10.2389 10.2477 k = 0.4898 0.4898 0.4898 ( 6563 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5975 -6.5975 -6.5776 -6.5776 -6.5750 -6.5748 -6.5721 -6.5721 1.0898 1.0898 1.1148 1.1170 1.1170 1.1179 1.6408 1.6408 2.6858 2.6862 2.6871 2.6871 2.7086 2.7086 2.7381 2.7394 2.7394 2.7412 3.1079 3.1079 3.1086 3.1093 3.1166 3.1166 3.8066 3.8066 3.9657 3.9657 4.0139 4.0220 4.0220 4.0287 4.1037 4.1049 4.1049 4.1057 4.3971 4.3971 4.6693 4.6739 4.6739 4.6758 4.7391 4.7391 4.7901 4.7941 4.7941 4.7968 6.4141 6.4141 6.4813 6.4835 6.4835 6.4843 7.9441 7.9451 7.9451 7.9467 8.3155 8.3155 8.4027 8.4027 8.4037 8.4053 10.2215 10.2215 10.2233 10.2278 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5929 -6.5929 -6.5786 -6.5786 -6.5751 -6.5751 -6.5751 -6.5751 1.0888 1.0888 1.1157 1.1157 1.1157 1.1157 1.6397 1.6397 2.6874 2.6874 2.6874 2.6874 2.7095 2.7095 2.7393 2.7393 2.7393 2.7393 3.1089 3.1089 3.1089 3.1089 3.1169 3.1169 3.8065 3.8065 3.9660 3.9660 4.0220 4.0220 4.0220 4.0220 4.1050 4.1050 4.1050 4.1050 4.3974 4.3974 4.6736 4.6736 4.6736 4.6736 4.7405 4.7405 4.7921 4.7921 4.7921 4.7921 6.4166 6.4166 6.4859 6.4859 6.4859 6.4859 7.9469 7.9469 7.9469 7.9469 8.3160 8.3160 8.4043 8.4043 8.4043 8.4043 10.2196 10.2196 10.2196 10.2196 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5929 -6.5929 -6.5786 -6.5786 -6.5751 -6.5751 -6.5751 -6.5751 1.0888 1.0888 1.1157 1.1157 1.1157 1.1157 1.6397 1.6397 2.6874 2.6874 2.6874 2.6874 2.7095 2.7095 2.7393 2.7393 2.7393 2.7393 3.1089 3.1089 3.1089 3.1089 3.1169 3.1169 3.8065 3.8065 3.9660 3.9660 4.0220 4.0220 4.0220 4.0220 4.1050 4.1050 4.1050 4.1050 4.3974 4.3974 4.6736 4.6736 4.6736 4.6736 4.7405 4.7405 4.7921 4.7921 4.7921 4.7921 6.4166 6.4166 6.4859 6.4859 6.4859 6.4859 7.9469 7.9469 7.9469 7.9469 8.3160 8.3160 8.4043 8.4043 8.4043 8.4043 10.2196 10.2196 10.2196 10.2196 k = 0.4875 0.5000 0.4875 ( 6570 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5974 -6.5974 -6.5777 -6.5777 -6.5750 -6.5749 -6.5720 -6.5719 1.0898 1.0898 1.1149 1.1165 1.1173 1.1179 1.6408 1.6408 2.6858 2.6862 2.6869 2.6871 2.7085 2.7085 2.7379 2.7392 2.7397 2.7413 3.1078 3.1082 3.1085 3.1091 3.1165 3.1167 3.8066 3.8066 3.9658 3.9658 4.0142 4.0200 4.0239 4.0285 4.1038 4.1047 4.1052 4.1057 4.3971 4.3971 4.6695 4.6730 4.6745 4.6759 4.7391 4.7391 4.7901 4.7933 4.7947 4.7968 6.4141 6.4141 6.4813 6.4833 6.4835 6.4847 7.9435 7.9449 7.9454 7.9471 8.3155 8.3155 8.4025 8.4030 8.4037 8.4052 10.2214 10.2226 10.2230 10.2273 k = 0.4750 0.5000 0.4750 ( 6586 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6063 -6.6063 -6.5773 -6.5771 -6.5743 -6.5740 -6.5651 -6.5650 1.0926 1.0927 1.1156 1.1199 1.1215 1.1216 1.6441 1.6441 2.6822 2.6825 2.6863 2.6864 2.7062 2.7065 2.7369 2.7399 2.7402 2.7441 3.1047 3.1064 3.1085 3.1093 3.1161 3.1170 3.8071 3.8071 3.9655 3.9655 4.0058 4.0185 4.0261 4.0341 4.1025 4.1045 4.1055 4.1063 4.3968 4.3968 4.6635 4.6731 4.6747 4.6778 4.7362 4.7362 4.7905 4.7981 4.8001 4.8047 6.4066 6.4067 6.4704 6.4751 6.4766 6.4791 7.9354 7.9383 7.9425 7.9459 8.3139 8.3141 8.3978 8.3989 8.4035 8.4064 10.2270 10.2294 10.2355 10.2425 k = 0.4625 0.5000 0.4625 ( 6586 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6167 -6.6166 -6.5773 -6.5771 -6.5727 -6.5722 -6.5576 -6.5574 1.0971 1.0972 1.1180 1.1257 1.1267 1.1283 1.6495 1.6496 2.6763 2.6769 2.6851 2.6851 2.7029 2.7036 2.7362 2.7396 2.7420 2.7471 3.0992 3.1030 3.1086 3.1088 3.1166 3.1181 3.8080 3.8081 3.9650 3.9652 3.9967 4.0174 4.0286 4.0387 4.1014 4.1044 4.1059 4.1067 4.3963 4.3966 4.6559 4.6729 4.6738 4.6805 4.7332 4.7334 4.7928 4.8052 4.8075 4.8147 6.3941 6.3941 6.4535 6.4606 6.4662 6.4698 7.9232 7.9275 7.9383 7.9434 8.3102 8.3110 8.3906 8.3928 8.4036 8.4075 10.2352 10.2387 10.2547 10.2622 k = 0.4500 0.5000 0.4500 ( 6594 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6280 -6.6278 -6.5776 -6.5775 -6.5701 -6.5695 -6.5502 -6.5499 1.1029 1.1030 1.1221 1.1334 1.1342 1.1378 1.6571 1.6572 2.6681 2.6703 2.6826 2.6834 2.6988 2.7002 2.7360 2.7390 2.7440 2.7499 3.0915 3.0973 3.1076 3.1086 3.1185 3.1199 3.8091 3.8093 3.9643 3.9646 3.9873 4.0165 4.0311 4.0422 4.1004 4.1044 4.1060 4.1072 4.3958 4.3965 4.6469 4.6694 4.6746 4.6837 4.7309 4.7316 4.7969 4.8132 4.8168 4.8256 6.3762 6.3763 6.4315 6.4407 6.4524 6.4569 7.9078 7.9135 7.9328 7.9395 8.3032 8.3051 8.3818 8.3854 8.4035 8.4082 10.2459 10.2505 10.2803 10.2883 k = 0.4375 0.5000 0.4375 ( 6590 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6400 -6.6398 -6.5782 -6.5781 -6.5666 -6.5660 -6.5429 -6.5425 1.1093 1.1100 1.1284 1.1418 1.1453 1.1500 1.6666 1.6669 2.6583 2.6626 2.6784 2.6807 2.6946 2.6966 2.7365 2.7382 2.7458 2.7520 3.0818 3.0894 3.1065 3.1087 3.1214 3.1226 3.8105 3.8109 3.9634 3.9634 3.9779 4.0161 4.0332 4.0450 4.0998 4.1045 4.1057 4.1080 4.3954 4.3967 4.6371 4.6646 4.6754 4.6871 4.7299 4.7314 4.8026 4.8213 4.8276 4.8368 6.3530 6.3530 6.4051 6.4164 6.4357 6.4410 7.8902 7.8973 7.9261 7.9344 8.2918 8.2954 8.3724 8.3779 8.4029 8.4079 10.2595 10.2652 10.3125 10.3212 k = 0.4250 0.5000 0.4250 ( 6576 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6527 -6.6525 -6.5792 -6.5791 -6.5624 -6.5617 -6.5357 -6.5353 1.1160 1.1179 1.1370 1.1517 1.1590 1.1648 1.6781 1.6786 2.6473 2.6541 2.6719 2.6768 2.6907 2.6928 2.7374 2.7377 2.7472 2.7534 3.0702 3.0795 3.1056 3.1087 3.1251 3.1261 3.8119 3.8125 3.9601 3.9622 3.9703 4.0160 4.0344 4.0476 4.0997 4.1046 4.1051 4.1090 4.3952 4.3974 4.6267 4.6590 4.6758 4.6904 4.7302 4.7329 4.8099 4.8290 4.8396 4.8478 6.3242 6.3246 6.3755 6.3883 6.4163 6.4221 7.8714 7.8799 7.9183 7.9280 8.2754 8.2809 8.3631 8.3708 8.4015 8.4063 10.2762 10.2831 10.3511 10.3604 k = 0.4125 0.5000 0.4125 ( 6566 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6661 -6.6658 -6.5806 -6.5805 -6.5575 -6.5566 -6.5285 -6.5280 1.1227 1.1266 1.1479 1.1633 1.1754 1.1822 1.6914 1.6921 2.6354 2.6450 2.6631 2.6716 2.6871 2.6889 2.7369 2.7395 2.7482 2.7540 3.0568 3.0676 3.1052 3.1090 3.1295 3.1303 3.8133 3.8141 3.9526 3.9607 3.9667 4.0164 4.0341 4.0507 4.1002 4.1044 4.1046 4.1102 4.3954 4.3989 4.6163 4.6530 4.6757 4.6934 4.7316 4.7359 4.8185 4.8358 4.8515 4.8593 6.2906 6.2916 6.3436 6.3574 6.3943 6.4006 7.8521 7.8618 7.9095 7.9205 8.2542 8.2617 8.3541 8.3639 8.3987 8.4032 10.2962 10.3041 10.3959 10.4057 k = 0.4000 0.5000 0.4000 ( 6562 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6801 -6.6798 -6.5824 -6.5823 -6.5518 -6.5509 -6.5212 -6.5208 1.1297 1.1359 1.1607 1.1764 1.1941 1.2020 1.7063 1.7074 2.6226 2.6355 2.6526 2.6648 2.6835 2.6848 2.7368 2.7419 2.7487 2.7539 3.0418 3.0539 3.1053 3.1096 3.1344 3.1352 3.8145 3.8156 3.9429 3.9589 3.9650 4.0171 4.0324 4.0543 4.1010 4.1036 4.1048 4.1116 4.3961 4.4013 4.6061 4.6470 4.6749 4.6959 4.7339 4.7401 4.8283 4.8415 4.8610 4.8729 6.2530 6.2549 6.3099 6.3242 6.3699 6.3764 7.8329 7.8438 7.8998 7.9120 8.2290 8.2382 8.3451 8.3567 8.3945 8.3982 10.3195 10.3285 10.4464 10.4565 k = 0.3875 0.5000 0.3875 ( 6554 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.6946 -6.6942 -6.5846 -6.5846 -6.5454 -6.5444 -6.5139 -6.5134 1.1371 1.1456 1.1750 1.1910 1.2151 1.2240 1.7226 1.7242 2.6090 2.6255 2.6406 2.6566 2.6798 2.6806 2.7374 2.7447 2.7488 2.7530 3.0253 3.0385 3.1060 3.1107 3.1399 3.1408 3.8155 3.8165 3.9329 3.9567 3.9638 4.0181 4.0299 4.0583 4.1021 4.1028 4.1051 4.1132 4.3976 4.4050 4.5964 4.6412 4.6735 4.6977 4.7368 4.7448 4.8383 4.8466 4.8676 4.8888 6.2126 6.2155 6.2749 6.2892 6.3431 6.3499 7.8141 7.8261 7.8892 7.9026 8.2006 8.2114 8.3355 8.3488 8.3886 8.3914 10.3459 10.3560 10.5021 10.5125 k = 0.3750 0.5000 0.3750 ( 6550 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.7096 -6.7092 -6.5874 -6.5874 -6.5384 -6.5373 -6.5064 -6.5058 1.1448 1.1559 1.1908 1.2069 1.2382 1.2480 1.7402 1.7424 2.5949 2.6154 2.6275 2.6471 2.6759 2.6759 2.7386 2.7469 2.7498 2.7516 3.0074 3.0217 3.1076 3.1124 3.1459 3.1469 3.8160 3.8168 3.9233 3.9542 3.9626 4.0193 4.0270 4.0624 4.1021 4.1029 4.1059 4.1150 4.4000 4.4100 4.5872 4.6358 4.6717 4.6991 4.7400 4.7497 4.8441 4.8552 4.8716 4.9060 6.1706 6.1745 6.2390 6.2531 6.3141 6.3209 7.7960 7.8090 7.8779 7.8922 8.1698 8.1821 8.3249 8.3397 8.3810 8.3827 10.3753 10.3865 10.5626 10.5731 k = 0.3625 0.5000 0.3625 ( 6550 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7250 -6.7246 -6.5906 -6.5906 -6.5308 -6.5297 -6.4987 -6.4981 1.1529 1.1664 1.2077 1.2240 1.2631 1.2737 1.7587 1.7617 2.5802 2.6051 2.6136 2.6364 2.6710 2.6716 2.7405 2.7469 2.7498 2.7531 2.9883 3.0034 3.1099 3.1150 3.1524 3.1537 3.8158 3.8162 3.9144 3.9513 3.9614 4.0207 4.0243 4.0663 4.1016 4.1032 4.1073 4.1173 4.4034 4.4166 4.5787 4.6308 4.6694 4.6999 4.7431 4.7544 4.8446 4.8681 4.8731 4.9242 6.1280 6.1331 6.2025 6.2161 6.2829 6.2896 7.7788 7.7927 7.8659 7.8810 8.1373 8.1511 8.3129 8.3294 8.3717 8.3721 10.4076 10.4198 10.6275 10.6381 k = 0.3500 0.5000 0.3500 ( 6550 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7408 -6.7404 -6.5944 -6.5944 -6.5227 -6.5214 -6.4908 -6.4901 1.1613 1.1772 1.2255 1.2421 1.2895 1.3010 1.7779 1.7818 2.5650 2.5947 2.5991 2.6247 2.6658 2.6671 2.7429 2.7462 2.7481 2.7575 2.9681 2.9840 3.1132 3.1184 3.1593 3.1611 3.8143 3.8150 3.9065 3.9480 3.9600 4.0221 4.0221 4.0698 4.1012 4.1032 4.1093 4.1200 4.4080 4.4249 4.5709 4.6263 4.6667 4.7004 4.7459 4.7582 4.8422 4.8718 4.8828 4.9432 6.0858 6.0919 6.1659 6.1788 6.2497 6.2563 7.7626 7.7772 7.8532 7.8689 8.1038 8.1189 8.2993 8.3175 8.3598 8.3609 10.4424 10.4556 10.6962 10.7068 k = 0.3375 0.5000 0.3375 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7569 -6.7564 -6.5987 -6.5987 -6.5140 -6.5126 -6.4826 -6.4819 1.1699 1.1881 1.2442 1.2610 1.3172 1.3294 1.7975 1.8024 2.5493 2.5841 2.5843 2.6121 2.6603 2.6625 2.7446 2.7456 2.7479 2.7624 2.9472 2.9636 3.1174 3.1229 3.1668 3.1690 3.8111 3.8134 3.8998 3.9443 3.9586 4.0209 4.0233 4.0730 4.1011 4.1030 4.1119 4.1233 4.4139 4.4350 4.5639 4.6223 4.6637 4.7004 4.7481 4.7610 4.8373 4.8676 4.8984 4.9626 6.0447 6.0518 6.1295 6.1416 6.2149 6.2213 7.7472 7.7625 7.8398 7.8556 8.0703 8.0865 8.2842 8.3043 8.3459 8.3487 10.4794 10.4934 10.7684 10.7789 k = 0.3250 0.5000 0.3250 ( 6542 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7733 -6.7727 -6.6035 -6.6034 -6.5048 -6.5034 -6.4741 -6.4734 1.1785 1.1990 1.2636 1.2806 1.3460 1.3589 1.8171 1.8232 2.5334 2.5690 2.5740 2.5988 2.6547 2.6577 2.7438 2.7452 2.7510 2.7676 2.9257 2.9425 3.1226 3.1285 3.1747 3.1774 3.8064 3.8109 3.8945 3.9402 3.9570 4.0208 4.0242 4.0755 4.1011 4.1026 4.1147 4.1273 4.4211 4.4469 4.5576 4.6188 4.6601 4.7000 4.7498 4.7622 4.8304 4.8606 4.9150 4.9825 6.0049 6.0131 6.0937 6.1047 6.1788 6.1850 7.7328 7.7487 7.8254 7.8410 8.0373 8.0544 8.2675 8.2896 8.3306 8.3351 10.5182 10.5329 10.8434 10.8540 k = 0.3125 0.5000 0.3125 ( 6542 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7897 -6.7892 -6.6087 -6.6086 -6.4952 -6.4937 -6.4655 -6.4648 1.1870 1.2097 1.2835 1.3006 1.3755 1.3890 1.8364 1.8439 2.5172 2.5538 2.5639 2.5850 2.6490 2.6529 2.7429 2.7453 2.7554 2.7733 2.9039 2.9210 3.1289 3.1352 3.1830 3.1864 3.8005 3.8075 3.8903 3.9358 3.9553 4.0219 4.0245 4.0775 4.1013 4.1020 4.1179 4.1322 4.4295 4.4606 4.5520 4.6158 4.6561 4.6990 4.7508 4.7614 4.8221 4.8507 4.9322 5.0026 5.9665 5.9760 6.0590 6.0687 6.1421 6.1479 7.7193 7.7356 7.8097 7.8246 8.0060 8.0235 8.2492 8.2735 8.3141 8.3205 10.5582 10.5736 10.9208 10.9315 k = 0.3000 0.5000 0.3000 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.8063 -6.8057 -6.6143 -6.6142 -6.4852 -6.4837 -6.4566 -6.4559 1.1953 1.2201 1.3036 1.3209 1.4055 1.4196 1.8551 1.8642 2.5009 2.5387 2.5539 2.5709 2.6434 2.6481 2.7424 2.7459 2.7603 2.7792 2.8821 2.8995 3.1361 3.1431 3.1918 3.1959 3.7936 3.8032 3.8871 3.9311 3.9535 4.0241 4.0243 4.0789 4.1011 4.1015 4.1215 4.1381 4.4391 4.4757 4.5472 4.6132 4.6515 4.6973 4.7515 4.7577 4.8133 4.8383 4.9499 5.0229 5.9294 5.9401 6.0256 6.0338 6.1053 6.1110 7.7066 7.7234 7.7923 7.8060 7.9771 7.9947 8.2295 8.2563 8.2967 8.3051 10.5992 10.6150 11.0002 11.0110 k = 0.2875 0.5000 0.2875 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.8228 -6.8223 -6.6203 -6.6202 -6.4749 -6.4734 -6.4475 -6.4468 1.2032 1.2299 1.3239 1.3412 1.4357 1.4503 1.8728 1.8836 2.4849 2.5239 2.5441 2.5569 2.6377 2.6435 2.7425 2.7473 2.7658 2.7853 2.8607 2.8785 3.1444 3.1523 3.2011 3.2060 3.7861 3.7982 3.8847 3.9264 3.9517 4.0234 4.0274 4.0799 4.0999 4.1018 4.1255 4.1449 4.4498 4.4918 4.5432 4.6110 4.6463 4.6947 4.7504 4.7520 4.8055 4.8236 4.9679 5.0431 5.8928 5.9046 5.9937 6.0003 6.0697 6.0753 7.6948 7.7118 7.7729 7.7845 7.9517 7.9687 8.2084 8.2378 8.2788 8.2890 10.6404 10.6567 11.0810 11.0920 k = 0.2750 0.5000 0.2750 ( 6540 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.8393 -6.8388 -6.6265 -6.6264 -6.4644 -6.4628 -6.4383 -6.4376 1.2105 1.2391 1.3442 1.3614 1.4658 1.4809 1.8892 1.9019 2.4691 2.5095 2.5340 2.5436 2.6322 2.6389 2.7428 2.7494 2.7717 2.7912 2.8404 2.8586 3.1538 3.1628 3.2109 3.2167 3.7783 3.7926 3.8828 3.9216 3.9497 4.0218 4.0315 4.0805 4.0983 4.1021 4.1298 4.1525 4.4612 4.5077 4.5409 4.6091 4.6402 4.6906 4.7392 4.7527 4.7997 4.8073 4.9862 5.0633 5.8558 5.8683 5.9637 5.9686 6.0362 6.0420 7.6837 7.7007 7.7510 7.7601 7.9302 7.9463 8.1862 8.2184 8.2606 8.2725 10.6816 10.6981 11.1627 11.1739 k = 0.2625 0.5000 0.2625 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.8557 -6.8551 -6.6330 -6.6329 -6.4536 -6.4520 -6.4290 -6.4282 1.2171 1.2474 1.3642 1.3812 1.4956 1.5110 1.9042 1.9189 2.4539 2.4956 2.5230 2.5318 2.6268 2.6345 2.7425 2.7516 2.7781 2.7961 2.8231 2.8410 3.1643 3.1746 3.2212 3.2280 3.7705 3.7865 3.8813 3.9170 3.9476 4.0194 4.0362 4.0809 4.0962 4.1024 4.1345 4.1609 4.4728 4.5190 4.5436 4.6075 4.6332 4.6848 4.7249 4.7538 4.7904 4.7962 5.0046 5.0832 5.8172 5.8299 5.9356 5.9392 6.0062 6.0124 7.6732 7.6902 7.7267 7.7330 7.9126 7.9278 8.1630 8.1980 8.2424 8.2559 10.7222 10.7387 11.2447 11.2562 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7281 -31.7281 -6.8718 -6.8712 -6.6397 -6.6396 -6.4427 -6.4411 -6.4196 -6.4188 1.2230 1.2546 1.3838 1.4006 1.5247 1.5404 1.9176 1.9342 2.4396 2.4822 2.5108 2.5223 2.6216 2.6302 2.7403 2.7528 2.7850 2.7951 2.8149 2.8272 3.1760 3.1877 3.2321 3.2401 3.7628 3.7800 3.8799 3.9124 3.9454 4.0164 4.0413 4.0812 4.0936 4.1027 4.1395 4.1699 4.4841 4.5207 4.5556 4.6060 4.6251 4.6770 4.7094 4.7538 4.7757 4.7950 5.0230 5.1027 5.7763 5.7883 5.9097 5.9128 5.9805 5.9872 7.6634 7.6794 7.7002 7.7046 7.8986 7.9133 8.1391 8.1771 8.2245 8.2392 10.7617 10.7781 11.3263 11.3381 k = 0.2375 0.5000 0.2375 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7281 -31.7281 -6.8876 -6.8871 -6.6465 -6.6464 -6.4317 -6.4302 -6.4102 -6.4095 1.2278 1.2607 1.4028 1.4192 1.5530 1.5688 1.9291 1.9479 2.4264 2.4697 2.4983 2.5143 2.6166 2.6261 2.7345 2.7495 2.7895 2.7922 2.8181 2.8190 3.1889 3.2021 3.2436 3.2528 3.7555 3.7733 3.8786 3.9080 3.9433 4.0127 4.0464 4.0815 4.0906 4.1031 4.1448 4.1792 4.4942 4.5167 4.5707 4.6047 4.6159 4.6672 4.6945 4.7460 4.7713 4.7960 5.0413 5.1217 5.7325 5.7432 5.8862 5.8894 5.9595 5.9666 7.6538 7.6644 7.6723 7.6795 7.8876 7.9025 8.1147 8.1559 8.2071 8.2228 10.7998 10.8160 11.4069 11.4188 k = 0.2250 0.5000 0.2250 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7281 -31.7281 -6.9031 -6.9026 -6.6533 -6.6532 -6.4208 -6.4192 -6.4008 -6.4001 1.2317 1.2654 1.4210 1.4369 1.5801 1.5959 1.9389 1.9597 2.4144 2.4580 2.4862 2.5075 2.6119 2.6222 2.7246 2.7395 2.7897 2.7997 2.8172 2.8245 3.2031 3.2179 3.2559 3.2665 3.7487 3.7665 3.8774 3.9038 3.9411 4.0084 4.0512 4.0818 4.0871 4.1035 4.1503 4.1885 4.5022 4.5099 4.5834 4.6034 4.6070 4.6555 4.6821 4.7324 4.7765 4.7996 5.0594 5.1400 5.6861 5.6948 5.8651 5.8692 5.9429 5.9504 7.6374 7.6391 7.6490 7.6663 7.8788 7.8948 8.0902 8.1349 8.1904 8.2067 10.8360 10.8519 11.4857 11.4973 k = 0.2125 0.5000 0.2125 ( 6556 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9181 -6.9176 -6.6602 -6.6601 -6.4099 -6.4083 -6.3916 -6.3908 1.2345 1.2687 1.4382 1.4535 1.6059 1.6215 1.9469 1.9697 2.4038 2.4474 2.4749 2.5016 2.6072 2.6183 2.7117 2.7260 2.7950 2.8072 2.8205 2.8316 3.2185 3.2348 3.2688 3.2811 3.7425 3.7598 3.8760 3.8999 3.9389 4.0036 4.0552 4.0821 4.0839 4.1039 4.1558 4.1975 4.4999 4.5068 4.5847 4.6018 4.6052 4.6430 4.6742 4.7197 4.7857 4.8063 5.0771 5.1574 5.6375 5.6439 5.8467 5.8520 5.9302 5.9380 7.6067 7.6110 7.6392 7.6573 7.8717 7.8898 8.0660 8.1143 8.1743 8.1910 10.8702 10.8856 11.5615 11.5724 k = 0.2000 0.5000 0.2000 ( 6542 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9327 -6.9322 -6.6670 -6.6669 -6.3991 -6.3976 -6.3824 -6.3817 1.2361 1.2706 1.4544 1.4689 1.6302 1.6455 1.9533 1.9779 2.3949 2.4382 2.4644 2.4969 2.6029 2.6147 2.6975 2.7118 2.8028 2.8148 2.8272 2.8390 3.2352 3.2528 3.2826 3.2967 3.7368 3.7532 3.8745 3.8961 3.9368 3.9984 4.0579 4.0796 4.0840 4.1045 4.1610 4.2059 4.4865 4.5069 4.5745 4.5980 4.6102 4.6324 4.6721 4.7100 4.7976 4.8161 5.0944 5.1738 5.5872 5.5911 5.8311 5.8379 5.9209 5.9289 7.5758 7.5813 7.6316 7.6493 7.8658 7.8868 8.0424 8.0948 8.1591 8.1760 10.9020 10.9168 11.6332 11.6421 k = 0.1875 0.5000 0.1875 ( 6540 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9467 -6.9462 -6.6737 -6.6736 -6.3886 -6.3871 -6.3735 -6.3728 1.2366 1.2709 1.4693 1.4830 1.6527 1.6676 1.9582 1.9844 2.3875 2.4305 2.4549 2.4933 2.5986 2.6111 2.6832 2.6982 2.8117 2.8225 2.8358 2.8465 3.2531 3.2717 3.2972 3.3136 3.7317 3.7467 3.8728 3.8925 3.9349 3.9930 4.0584 4.0770 4.0857 4.1051 4.1658 4.2134 4.4697 4.5019 4.5615 4.5887 4.6141 4.6280 4.6751 4.7038 4.8116 4.8290 5.1111 5.1887 5.5360 5.5371 5.8183 5.8270 5.9143 5.9224 7.5455 7.5518 7.6247 7.6419 7.8604 7.8851 8.0201 8.0768 8.1448 8.1617 10.9313 10.9454 11.6985 11.7031 k = 0.1750 0.5000 0.1750 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9601 -6.9596 -6.6802 -6.6801 -6.3783 -6.3768 -6.3648 -6.3642 1.2361 1.2698 1.4830 1.4957 1.6734 1.6877 1.9617 1.9891 2.3816 2.4247 2.4465 2.4910 2.5946 2.6077 2.6695 2.6855 2.8212 2.8303 2.8452 2.8538 3.2721 3.2912 3.3128 3.3317 3.7271 3.7403 3.8707 3.8891 3.9333 3.9876 4.0560 4.0759 4.0881 4.1058 4.1698 4.2194 4.4499 4.4918 4.5471 4.5740 4.6174 4.6304 4.6816 4.7012 4.8274 4.8443 5.1269 5.2020 5.4824 5.4842 5.8087 5.8192 5.9098 5.9181 7.5163 7.5231 7.6184 7.6350 7.8551 7.8839 7.9998 8.0609 8.1315 8.1482 10.9579 10.9713 11.7484 11.7520 k = 0.1625 0.5000 0.1625 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9728 -6.9723 -6.6866 -6.6865 -6.3683 -6.3670 -6.3565 -6.3558 1.2346 1.2674 1.4952 1.5069 1.6922 1.7057 1.9640 1.9923 2.3773 2.4210 2.4390 2.4900 2.5907 2.6045 2.6568 2.6739 2.8309 2.8383 2.8547 2.8611 3.2920 3.3112 3.3296 3.3511 3.7229 3.7342 3.8684 3.8858 3.9319 3.9823 4.0514 4.0760 4.0910 4.1065 4.1724 4.2236 4.4281 4.4776 4.5317 4.5570 4.6218 4.6371 4.6899 4.7017 4.8445 4.8611 5.1415 5.2133 5.4277 5.4326 5.8022 5.8147 5.9071 5.9154 7.4884 7.4954 7.6126 7.6284 7.8495 7.8818 7.9829 8.0473 8.1193 8.1355 10.9818 10.9944 11.7643 11.7778 k = 0.1500 0.5000 0.1500 ( 6554 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7280 -31.7280 -6.9848 -6.9843 -6.6926 -6.6925 -6.3588 -6.3575 -6.3484 -6.3479 1.2322 1.2637 1.5060 1.5166 1.7090 1.7217 1.9653 1.9939 2.3744 2.4196 2.4326 2.4902 2.5870 2.6014 2.6452 2.6635 2.8405 2.8462 2.8640 2.8681 3.3126 3.3317 3.3474 3.3717 3.7190 3.7280 3.8657 3.8827 3.9309 3.9773 4.0455 4.0765 4.0941 4.1073 4.1735 4.2257 4.4052 4.4603 4.5157 4.5394 4.6279 4.6464 4.6994 4.7049 4.8623 4.8786 5.1546 5.2223 5.3733 5.3815 5.7992 5.8136 5.9057 5.9141 7.4619 7.4690 7.6073 7.6223 7.8430 7.8772 7.9708 8.0365 8.1082 8.1238 11.0030 11.0149 11.7398 11.7521 k = 0.1375 0.5000 0.1375 ( 6546 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7282 -31.7282 -31.7279 -31.7279 -6.9960 -6.9956 -6.6984 -6.6983 -6.3498 -6.3485 -6.3409 -6.3403 1.2291 1.2590 1.5155 1.5249 1.7240 1.7357 1.9658 1.9943 2.3726 2.4204 2.4270 2.4919 2.5833 2.5985 2.6349 2.6541 2.8497 2.8540 2.8728 2.8748 3.3338 3.3524 3.3664 3.3932 3.7150 3.7219 3.8628 3.8797 3.9305 3.9730 4.0390 4.0773 4.0972 4.1081 4.1727 4.2254 4.3818 4.4409 4.4995 4.5221 4.6358 4.6578 4.7101 4.7104 4.8803 4.8958 5.1658 5.2287 5.3197 5.3316 5.7996 5.8157 5.9054 5.9139 7.4371 7.4441 7.6025 7.6166 7.8357 7.8692 7.9646 8.0286 8.0984 8.1132 11.0215 11.0326 11.6851 11.6909 k = 0.1250 0.5000 0.1250 ( 6552 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0063 -7.0060 -6.7038 -6.7037 -6.3413 -6.3401 -6.3337 -6.3332 1.2255 1.2535 1.5235 1.5319 1.7370 1.7477 1.9657 1.9934 2.3720 2.4223 2.4235 2.4947 2.5797 2.5958 2.6258 2.6456 2.8585 2.8616 2.8808 2.8811 3.3552 3.3734 3.3864 3.4152 3.7108 3.7158 3.8599 3.8768 3.9306 3.9693 4.0323 4.0782 4.1001 4.1088 4.1698 4.2226 4.3584 4.4199 4.4836 4.5055 4.6455 4.6708 4.7179 4.7218 4.8981 4.9120 5.1747 5.2322 5.2676 5.2832 5.8034 5.8208 5.9059 5.9145 7.4141 7.4207 7.5981 7.6113 7.8274 7.8577 7.9638 8.0232 8.0899 8.1036 11.0375 11.0479 11.6158 11.6175 k = 0.1125 0.5000 0.1125 ( 6548 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0159 -7.0155 -6.7088 -6.7087 -6.3334 -6.3323 -6.3271 -6.3266 1.2216 1.2474 1.5303 1.5376 1.7483 1.7578 1.9651 1.9915 2.3722 2.4182 2.4286 2.4988 2.5761 2.5933 2.6178 2.6379 2.8667 2.8688 2.8869 2.8880 3.3769 3.3948 3.4074 3.4374 3.7060 3.7094 3.8571 3.8741 3.9314 3.9664 4.0256 4.0793 4.1024 4.1095 4.1651 4.2175 4.3353 4.3982 4.4686 4.4901 4.6567 4.6851 4.7272 4.7345 4.9151 4.9268 5.1806 5.2147 5.2355 5.2375 5.8104 5.8284 5.9071 5.9157 7.3929 7.3992 7.5943 7.6064 7.8184 7.8444 7.9669 8.0200 8.0829 8.0952 11.0511 11.0608 11.5408 11.5410 k = 0.1000 0.5000 0.1000 ( 6532 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0245 -7.0242 -6.7133 -6.7133 -6.3261 -6.3251 -6.3211 -6.3206 1.2176 1.2410 1.5359 1.5421 1.7579 1.7663 1.9643 1.9888 2.3733 2.4147 2.4355 2.5037 2.5726 2.5910 2.6110 2.6308 2.8742 2.8756 2.8923 2.8943 3.3986 3.4163 3.4288 3.4593 3.7002 3.7026 3.8548 3.8715 3.9330 3.9645 4.0191 4.0804 4.1034 4.1100 4.1593 4.2104 4.3128 4.3760 4.4551 4.4761 4.6694 4.7005 4.7382 4.7480 4.9309 4.9398 5.1666 5.1773 5.2008 5.2334 5.8201 5.8380 5.9088 5.9175 7.3737 7.3794 7.5909 7.6019 7.8090 7.8304 7.9724 8.0183 8.0776 8.0881 11.0624 11.0715 11.4649 11.4657 k = 0.0875 0.5000 0.0875 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0322 -7.0319 -6.7175 -6.7174 -6.3196 -6.3187 -6.3156 -6.3152 1.2136 1.2344 1.5404 1.5456 1.7659 1.7732 1.9634 1.9856 2.3749 2.4116 2.4437 2.5093 2.5690 2.5890 2.6051 2.6241 2.8809 2.8818 2.8970 2.8996 3.4204 3.4379 3.4504 3.4802 3.6932 3.6953 3.8531 3.8690 3.9355 3.9636 4.0129 4.0815 4.1017 4.1103 4.1540 4.2017 4.2911 4.3538 4.4433 4.4636 4.6835 4.7163 4.7507 4.7618 4.9453 4.9505 5.1203 5.1451 5.1933 5.2298 5.8317 5.8486 5.9109 5.9198 7.3565 7.3617 7.5880 7.5977 7.7997 7.8168 7.9789 8.0174 8.0739 8.0822 11.0714 11.0802 11.3927 11.3932 k = 0.0750 0.5000 0.0750 ( 6530 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0389 -7.0387 -6.7211 -6.7210 -6.3138 -6.3130 -6.3108 -6.3105 1.2099 1.2280 1.5439 1.5482 1.7726 1.7788 1.9626 1.9821 2.3771 2.4089 2.4530 2.5152 2.5655 2.5871 2.6002 2.6177 2.8869 2.8875 2.9012 2.9040 3.4420 3.4594 3.4715 3.4998 3.6848 3.6872 3.8523 3.8666 3.9391 3.9637 4.0070 4.0824 4.0959 4.1101 4.1514 4.1923 4.2706 4.3318 4.4336 4.4526 4.6989 4.7323 4.7645 4.7756 4.9576 4.9586 5.0769 5.1078 5.1925 5.2245 5.8445 5.8594 5.9134 5.9226 7.3415 7.3460 7.5856 7.5940 7.7908 7.8042 7.9856 8.0167 8.0718 8.0778 11.0785 11.0870 11.3260 11.3263 k = 0.0625 0.5000 0.0625 ( 6538 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0446 -7.0444 -6.7242 -6.7241 -6.3088 -6.3082 -6.3067 -6.3064 1.2067 1.2219 1.5467 1.5501 1.7780 1.7831 1.9619 1.9785 2.3797 2.4064 2.4630 2.5208 2.5625 2.5855 2.5962 2.6115 2.8922 2.8924 2.9047 2.9075 3.4632 3.4802 3.4916 3.5175 3.6750 3.6783 3.8522 3.8645 3.9439 3.9650 4.0014 4.0811 4.0876 4.1092 4.1522 4.1831 4.2518 4.3102 4.4259 4.4430 4.7156 4.7482 4.7791 4.7884 4.9634 4.9669 5.0378 5.0737 5.1911 5.2179 5.8572 5.8694 5.9165 5.9258 7.3286 7.3325 7.5837 7.5907 7.7828 7.7929 7.9919 8.0158 8.0712 8.0748 11.0836 11.0921 11.2662 11.2678 k = 0.0500 0.5000 0.0500 ( 6522 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0493 -7.0492 -6.7268 -6.7267 -6.3047 -6.3042 -6.3033 -6.3030 1.2041 1.2164 1.5488 1.5515 1.7823 1.7864 1.9615 1.9750 2.3824 2.4039 2.4733 2.5248 2.5606 2.5841 2.5929 2.6055 2.8966 2.8967 2.9076 2.9101 3.4837 3.4998 3.5103 3.5327 3.6641 3.6686 3.8528 3.8626 3.9500 3.9677 3.9962 4.0693 4.0864 4.1075 4.1561 4.1752 4.2353 4.2896 4.4203 4.4349 4.7337 4.7638 4.7937 4.7996 4.9635 4.9686 5.0081 5.0454 5.1892 5.2106 5.8687 5.8778 5.9202 5.9293 7.3181 7.3212 7.5822 7.5879 7.7759 7.7833 7.9972 8.0148 8.0715 8.0731 11.0867 11.0954 11.2156 11.2187 k = 0.0375 0.5000 0.0375 ( 6514 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0530 -7.0529 -6.7288 -6.7287 -6.3014 -6.3011 -6.3005 -6.3003 1.2023 1.2116 1.5504 1.5523 1.7856 1.7887 1.9615 1.9717 2.3853 2.4015 2.4836 2.5261 2.5610 2.5828 2.5905 2.5995 2.9001 2.9002 2.9098 2.9119 3.5028 3.5171 3.5269 3.5452 3.6526 3.6583 3.8537 3.8609 3.9570 3.9723 3.9911 4.0534 4.0874 4.1048 4.1613 4.1695 4.2225 4.2700 4.4167 4.4281 4.7530 4.7787 4.8070 4.8081 4.9520 4.9567 4.9994 5.0257 5.1873 5.2034 5.8780 5.8840 5.9245 5.9327 7.3099 7.3122 7.5812 7.5855 7.7704 7.7756 8.0015 8.0135 8.0723 8.0725 11.0878 11.0966 11.1759 11.1806 k = 0.0250 0.5000 0.0250 ( 6514 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0556 -7.0556 -6.7302 -6.7302 -6.2991 -6.2989 -6.2985 -6.2984 1.2014 1.2076 1.5515 1.5528 1.7880 1.7901 1.9619 1.9688 2.3882 2.3990 2.4935 2.5238 2.5640 2.5812 2.5887 2.5940 2.9027 2.9028 2.9114 2.9130 3.5194 3.5305 3.5410 3.5546 3.6419 3.6479 3.8548 3.8594 3.9639 3.9799 3.9860 4.0366 4.0889 4.1013 4.1659 4.1665 4.2150 4.2519 4.4148 4.4227 4.7730 4.7922 4.8133 4.8167 4.9297 4.9431 5.0015 5.0153 5.1861 5.1968 5.8847 5.8882 5.9290 5.9352 7.3041 7.3056 7.5807 7.5836 7.7665 7.7698 8.0047 8.0122 8.0727 8.0730 11.0870 11.0950 11.1490 11.1542 k = 0.0125 0.5000 0.0125 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0572 -7.0572 -6.7311 -6.7311 -6.2977 -6.2977 -6.2973 -6.2972 1.2014 1.2045 1.5523 1.5529 1.7897 1.7907 1.9629 1.9663 2.3911 2.3965 2.5029 2.5185 2.5689 2.5786 2.5878 2.5899 2.9043 2.9044 2.9125 2.9134 3.5319 3.5380 3.5524 3.5601 3.6344 3.6386 3.8559 3.8581 3.9700 3.9809 3.9908 4.0200 4.0910 4.0974 4.1659 4.1678 4.2152 4.2359 4.4146 4.4186 4.7928 4.8032 4.8143 4.8187 4.9160 4.9275 5.0047 5.0104 5.1861 5.1915 5.8887 5.8903 5.9330 5.9363 7.3007 7.3015 7.5807 7.5822 7.7644 7.7660 8.0072 8.0107 8.0732 8.0735 11.0856 11.0905 11.1358 11.1393 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5543 -32.5543 -31.7282 -31.7282 -31.7279 -31.7279 -7.0577 -7.0577 -6.7314 -6.7314 -6.2973 -6.2973 -6.2968 -6.2968 1.2025 1.2025 1.5527 1.5527 1.7905 1.7905 1.9644 1.9644 2.3938 2.3938 2.5114 2.5114 2.5742 2.5742 2.5879 2.5879 2.9049 2.9049 2.9132 2.9132 3.5385 3.5385 3.5594 3.5594 3.6332 3.6332 3.8570 3.8570 3.9756 3.9756 4.0045 4.0045 4.0939 4.0939 4.1670 4.1670 4.2230 4.2230 4.4159 4.4159 4.8094 4.8094 4.8111 4.8111 4.9163 4.9163 5.0075 5.0075 5.1879 5.1879 5.8905 5.8905 5.9356 5.9356 7.2999 7.2999 7.5812 7.5812 7.7642 7.7642 8.0091 8.0091 8.0735 8.0735 11.0864 11.0864 11.1335 11.1335 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7744 -6.7744 -6.5949 -6.5949 -6.5904 -6.5904 -6.4325 -6.4325 1.4638 1.4638 1.4680 1.4680 1.5297 1.5297 2.2442 2.2442 2.3762 2.3762 2.4752 2.4752 2.4871 2.4871 2.5950 2.5950 2.7753 2.7753 2.8616 2.8616 3.0621 3.0621 3.0857 3.0857 3.8177 3.8177 3.9301 3.9301 3.9360 3.9360 4.0660 4.0660 4.1442 4.1442 4.2190 4.2190 4.3377 4.3377 4.6624 4.6624 4.6811 4.6811 4.7880 4.7880 4.8215 4.8215 4.9252 4.9252 5.5361 5.5361 5.5558 5.5558 6.2757 6.2757 7.5544 7.5544 7.6064 7.6064 8.0127 8.0127 8.1846 8.1846 8.2317 8.2317 11.4040 11.4040 11.4106 11.4106 k = 0.5000 0.5000 0.0172 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7741 -6.7741 -6.5948 -6.5948 -6.5904 -6.5904 -6.4327 -6.4327 1.4626 1.4626 1.4666 1.4666 1.5282 1.5282 2.2376 2.2376 2.3809 2.3809 2.4759 2.4759 2.4889 2.4889 2.5952 2.5952 2.7770 2.7770 2.8614 2.8614 3.0623 3.0623 3.0858 3.0858 3.8181 3.8181 3.9303 3.9303 3.9357 3.9357 4.0661 4.0661 4.1439 4.1439 4.2178 4.2178 4.3377 4.3377 4.6560 4.6560 4.6879 4.6879 4.7885 4.7885 4.8224 4.8224 4.9249 4.9249 5.5381 5.5381 5.5576 5.5576 6.2762 6.2762 7.5496 7.5496 7.6135 7.6135 8.0125 8.0125 8.1853 8.1853 8.2324 8.2324 11.4012 11.4012 11.4077 11.4077 k = 0.5000 0.5000 0.0345 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7732 -6.7732 -6.5947 -6.5947 -6.5902 -6.5902 -6.4333 -6.4333 1.4588 1.4588 1.4625 1.4625 1.5237 1.5237 2.2201 2.2201 2.3925 2.3925 2.4782 2.4782 2.4941 2.4941 2.5957 2.5957 2.7820 2.7820 2.8608 2.8608 3.0627 3.0627 3.0861 3.0861 3.8192 3.8192 3.9307 3.9307 3.9347 3.9347 4.0663 4.0663 4.1430 4.1430 4.2145 4.2145 4.3379 4.3379 4.6452 4.6452 4.6997 4.6997 4.7899 4.7899 4.8250 4.8250 4.9240 4.9240 5.5441 5.5441 5.5632 5.5632 6.2779 6.2779 7.5399 7.5399 7.6303 7.6303 8.0120 8.0120 8.1872 8.1872 8.2345 8.2345 11.3925 11.3925 11.3989 11.3989 k = 0.5000 0.5000 0.0517 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5544 -32.5544 -31.7283 -31.7283 -31.7280 -31.7280 -6.7717 -6.7717 -6.5944 -6.5944 -6.5900 -6.5900 -6.4343 -6.4343 1.4525 1.4525 1.4559 1.4559 1.5162 1.5162 2.1959 2.1959 2.4072 2.4072 2.4823 2.4823 2.5020 2.5020 2.5965 2.5965 2.7902 2.7902 2.8596 2.8596 3.0633 3.0633 3.0866 3.0866 3.8209 3.8209 3.9312 3.9312 3.9333 3.9333 4.0667 4.0667 4.1415 4.1415 4.2093 4.2093 4.3383 4.3383 4.6341 4.6341 4.7123 4.7123 4.7924 4.7924 4.8287 4.8287 4.9225 4.9225 5.5541 5.5541 5.5725 5.5725 6.2805 6.2805 7.5298 7.5298 7.6520 7.6520 8.0112 8.0112 8.1905 8.1905 8.2380 8.2380 11.3781 11.3781 11.3842 11.3842 k = 0.5000 0.5000 0.0690 ( 6532 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7280 -31.7280 -6.7696 -6.7696 -6.5941 -6.5941 -6.5897 -6.5897 -6.4356 -6.4356 1.4438 1.4438 1.4469 1.4469 1.5060 1.5060 2.1678 2.1678 2.4228 2.4228 2.4881 2.4881 2.5122 2.5122 2.5977 2.5977 2.8012 2.8012 2.8582 2.8582 3.0641 3.0641 3.0872 3.0872 3.8234 3.8234 3.9303 3.9303 3.9329 3.9329 4.0673 4.0673 4.1396 4.1396 4.2024 4.2024 4.3389 4.3389 4.6235 4.6235 4.7247 4.7247 4.7959 4.7959 4.8331 4.8331 4.9205 4.9205 5.5683 5.5683 5.5856 5.5856 6.2843 6.2843 7.5213 7.5213 7.6769 7.6769 8.0100 8.0100 8.1950 8.1950 8.2428 8.2428 11.3578 11.3578 11.3635 11.3635 k = 0.5000 0.5000 0.0862 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7280 -31.7280 -6.7669 -6.7669 -6.5936 -6.5936 -6.5893 -6.5893 -6.4373 -6.4373 1.4327 1.4327 1.4358 1.4358 1.4933 1.4933 2.1376 2.1376 2.4382 2.4382 2.4954 2.4954 2.5240 2.5240 2.5992 2.5992 2.8147 2.8147 2.8564 2.8564 3.0652 3.0652 3.0879 3.0879 3.8264 3.8264 3.9278 3.9278 3.9340 3.9340 4.0680 4.0680 4.1372 4.1372 4.1943 4.1943 4.3397 4.3397 4.6136 4.6136 4.7365 4.7365 4.8003 4.8003 4.8376 4.8376 4.9180 4.9180 5.5867 5.5867 5.6027 5.6027 6.2890 6.2890 7.5150 7.5150 7.7042 7.7042 8.0085 8.0085 8.2007 8.2007 8.2488 8.2488 11.3315 11.3315 11.3367 11.3367 k = 0.5000 0.5000 0.1034 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7637 -6.7637 -6.5931 -6.5931 -6.5888 -6.5888 -6.4394 -6.4394 1.4194 1.4194 1.4230 1.4230 1.4784 1.4784 2.1061 2.1061 2.4534 2.4534 2.5042 2.5042 2.5366 2.5366 2.6011 2.6011 2.8299 2.8299 2.8547 2.8547 3.0665 3.0665 3.0888 3.0888 3.8297 3.8297 3.9248 3.9248 3.9354 3.9354 4.0687 4.0687 4.1346 4.1346 4.1853 4.1853 4.3409 4.3409 4.6045 4.6045 4.7469 4.7469 4.8057 4.8057 4.8416 4.8416 4.9150 4.9150 5.6094 5.6094 5.6238 5.6238 6.2946 6.2946 7.5112 7.5112 7.7336 7.7336 8.0067 8.0067 8.2074 8.2074 8.2560 8.2560 11.2993 11.2993 11.3040 11.3040 k = 0.5000 0.5000 0.1207 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7599 -6.7599 -6.5925 -6.5925 -6.5883 -6.5883 -6.4419 -6.4419 1.4042 1.4042 1.4085 1.4085 1.4615 1.4615 2.0740 2.0740 2.4683 2.4683 2.5142 2.5142 2.5498 2.5498 2.6032 2.6032 2.8432 2.8432 2.8560 2.8560 3.0681 3.0681 3.0899 3.0899 3.8334 3.8334 3.9216 3.9216 3.9371 3.9371 4.0696 4.0696 4.1317 4.1317 4.1757 4.1757 4.3425 4.3425 4.5963 4.5963 4.7555 4.7555 4.8119 4.8119 4.8447 4.8447 4.9117 4.9117 5.6362 5.6362 5.6490 5.6490 6.3011 6.3011 7.5102 7.5102 7.7649 7.7649 8.0046 8.0046 8.2151 8.2151 8.2642 8.2642 11.2613 11.2613 11.2653 11.2653 k = 0.5000 0.5000 0.1379 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7556 -6.7556 -6.5918 -6.5918 -6.5877 -6.5877 -6.4448 -6.4448 1.3873 1.3873 1.3927 1.3927 1.4431 1.4431 2.0418 2.0418 2.4831 2.4831 2.5251 2.5251 2.5630 2.5630 2.6058 2.6058 2.8449 2.8449 2.8699 2.8699 3.0698 3.0698 3.0910 3.0910 3.8371 3.8371 3.9186 3.9186 3.9389 3.9389 4.0705 4.0705 4.1288 4.1288 4.1659 4.1659 4.3446 4.3446 4.5890 4.5890 4.7617 4.7617 4.8189 4.8189 4.8464 4.8464 4.9082 4.9082 5.6670 5.6670 5.6783 5.6783 6.3084 6.3084 7.5120 7.5120 7.7979 7.7979 8.0022 8.0022 8.2236 8.2236 8.2732 8.2732 11.2176 11.2176 11.2211 11.2211 k = 0.5000 0.5000 0.1552 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7507 -6.7507 -6.5911 -6.5911 -6.5870 -6.5870 -6.4480 -6.4480 1.3691 1.3691 1.3757 1.3757 1.4234 1.4234 2.0098 2.0098 2.4978 2.4978 2.5367 2.5367 2.5761 2.5761 2.6087 2.6087 2.8421 2.8421 2.8885 2.8885 3.0717 3.0717 3.0923 3.0923 3.8405 3.8405 3.9161 3.9161 3.9409 3.9409 4.0715 4.0715 4.1259 4.1259 4.1560 4.1560 4.3472 4.3472 4.5829 4.5829 4.7655 4.7655 4.8262 4.8262 4.8467 4.8467 4.9045 4.9045 5.7015 5.7015 5.7117 5.7117 6.3165 6.3165 7.5168 7.5168 7.8324 7.8324 7.9996 7.9996 8.2328 8.2328 8.2830 8.2830 11.1686 11.1686 11.1718 11.1718 k = 0.5000 0.5000 0.1724 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7453 -6.7453 -6.5903 -6.5903 -6.5863 -6.5863 -6.4516 -6.4516 1.3500 1.3500 1.3577 1.3577 1.4026 1.4026 1.9782 1.9782 2.5124 2.5124 2.5487 2.5487 2.5889 2.5889 2.6119 2.6119 2.8383 2.8383 2.9080 2.9080 3.0737 3.0737 3.0937 3.0937 3.8432 3.8432 3.9143 3.9143 3.9430 3.9430 4.0725 4.0725 4.1231 4.1231 4.1463 4.1463 4.3503 4.3503 4.5778 4.5778 4.7670 4.7670 4.8330 4.8330 4.8454 4.8454 4.9009 4.9009 5.7393 5.7393 5.7490 5.7490 6.3251 6.3251 7.5246 7.5246 7.8682 7.8682 7.9967 7.9967 8.2426 8.2426 8.2933 8.2933 11.1147 11.1147 11.1180 11.1180 k = 0.5000 0.5000 0.1897 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7395 -6.7395 -6.5895 -6.5895 -6.5856 -6.5856 -6.4556 -6.4556 1.3302 1.3302 1.3390 1.3390 1.3812 1.3812 1.9473 1.9473 2.5270 2.5270 2.5610 2.5610 2.6012 2.6012 2.6158 2.6158 2.8342 2.8342 2.9275 2.9275 3.0760 3.0760 3.0951 3.0951 3.8450 3.8450 3.9139 3.9139 3.9452 3.9452 4.0735 4.0735 4.1205 4.1205 4.1371 4.1371 4.3538 4.3538 4.5740 4.5740 4.7664 4.7664 4.8379 4.8379 4.8436 4.8436 4.8975 4.8975 5.7800 5.7800 5.7901 5.7901 6.3344 6.3344 7.5355 7.5355 7.9051 7.9051 7.9937 7.9937 8.2528 8.2528 8.3040 8.3040 11.0566 11.0566 11.0604 11.0604 k = 0.5000 0.5000 0.2069 ( 6520 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7332 -6.7332 -6.5886 -6.5886 -6.5848 -6.5848 -6.4600 -6.4600 1.3100 1.3100 1.3199 1.3199 1.3594 1.3594 1.9172 1.9172 2.5415 2.5415 2.5733 2.5733 2.6123 2.6123 2.6210 2.6210 2.8296 2.8296 2.9468 2.9468 3.0783 3.0783 3.0966 3.0966 3.8454 3.8454 3.9150 3.9150 3.9474 3.9474 4.0744 4.0744 4.1181 4.1181 4.1285 4.1285 4.3577 4.3577 4.5714 4.5714 4.7640 4.7640 4.8362 4.8362 4.8452 4.8452 4.8945 4.8945 5.8231 5.8231 5.8346 5.8346 6.3440 6.3440 7.5494 7.5494 7.9428 7.9428 7.9905 7.9905 8.2632 8.2632 8.3149 8.3149 10.9950 10.9950 10.9997 10.9997 k = 0.5000 0.5000 0.2241 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7281 -31.7281 -6.7264 -6.7264 -6.5877 -6.5877 -6.5840 -6.5840 -6.4647 -6.4647 1.2896 1.2896 1.3005 1.3005 1.3374 1.3374 1.8882 1.8882 2.5557 2.5557 2.5856 2.5856 2.6202 2.6202 2.6292 2.6292 2.8247 2.8247 2.9653 2.9653 3.0807 3.0807 3.0982 3.0982 3.8445 3.8445 3.9178 3.9178 3.9495 3.9495 4.0751 4.0751 4.1155 4.1155 4.1209 4.1209 4.3619 4.3619 4.5701 4.5701 4.7601 4.7601 4.8307 4.8307 4.8470 4.8470 4.8923 4.8923 5.8682 5.8682 5.8819 5.8819 6.3540 6.3540 7.5663 7.5663 7.9804 7.9804 7.9877 7.9877 8.2736 8.2736 8.3257 8.3257 10.9309 10.9309 10.9366 10.9366 k = 0.5000 0.5000 0.2414 ( 6528 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7193 -6.7193 -6.5867 -6.5867 -6.5831 -6.5831 -6.4699 -6.4699 1.2693 1.2693 1.2812 1.2812 1.3154 1.3154 1.8602 1.8602 2.5696 2.5696 2.5975 2.5975 2.6258 2.6258 2.6398 2.6398 2.8195 2.8195 2.9830 2.9830 3.0832 3.0832 3.0998 3.0998 3.8424 3.8424 3.9220 3.9220 3.9517 3.9517 4.0755 4.0755 4.1113 4.1113 4.1161 4.1161 4.3661 4.3661 4.5703 4.5703 4.7549 4.7549 4.8237 4.8237 4.8468 4.8468 4.8907 4.8907 5.9151 5.9151 5.9314 5.9314 6.3642 6.3642 7.5861 7.5861 7.9834 7.9834 8.0196 8.0196 8.2840 8.2840 8.3364 8.3364 10.8652 10.8652 10.8721 10.8721 k = 0.5000 0.5000 0.2586 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7118 -6.7118 -6.5858 -6.5858 -6.5823 -6.5823 -6.4753 -6.4753 1.2493 1.2493 1.2622 1.2622 1.2939 1.2939 1.8336 1.8336 2.5831 2.5831 2.6089 2.6089 2.6312 2.6312 2.6507 2.6507 2.8140 2.8140 2.9997 2.9997 3.0856 3.0856 3.1014 3.1014 3.8395 3.8395 3.9273 3.9273 3.9537 3.9537 4.0754 4.0754 4.1059 4.1059 4.1140 4.1140 4.3704 4.3704 4.5719 4.5719 4.7489 4.7489 4.8158 4.8158 4.8445 4.8445 4.8894 4.8894 5.9632 5.9632 5.9824 5.9824 6.3745 6.3745 7.6086 7.6086 7.9799 7.9799 8.0577 8.0577 8.2941 8.2941 8.3467 8.3467 10.7988 10.7988 10.8068 10.8068 k = 0.5000 0.5000 0.2759 ( 6536 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.7039 -6.7039 -6.5849 -6.5849 -6.5815 -6.5815 -6.4812 -6.4812 1.2298 1.2298 1.2437 1.2437 1.2728 1.2728 1.8083 1.8083 2.5961 2.5961 2.6194 2.6194 2.6369 2.6369 2.6613 2.6613 2.8083 2.8083 3.0153 3.0153 3.0881 3.0881 3.1030 3.1030 3.8361 3.8361 3.9335 3.9335 3.9557 3.9557 4.0744 4.0744 4.1014 4.1014 4.1126 4.1126 4.3745 4.3745 4.5750 4.5750 4.7421 4.7421 4.8070 4.8070 4.8406 4.8406 4.8879 4.8879 6.0120 6.0120 6.0343 6.0343 6.3848 6.3848 7.6337 7.6337 7.9764 7.9764 8.0952 8.0952 8.3039 8.3039 8.3565 8.3565 10.7326 10.7326 10.7417 10.7417 k = 0.5000 0.5000 0.2931 ( 6540 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.6957 -6.6957 -6.5840 -6.5840 -6.5807 -6.5807 -6.4873 -6.4873 1.2110 1.2110 1.2258 1.2258 1.2525 1.2525 1.7844 1.7844 2.6085 2.6085 2.6288 2.6288 2.6435 2.6435 2.6716 2.6716 2.8024 2.8024 3.0297 3.0297 3.0906 3.0906 3.1046 3.1046 3.8324 3.8324 3.9401 3.9401 3.9576 3.9576 4.0723 4.0723 4.0984 4.0984 4.1115 4.1115 4.3784 4.3784 4.5797 4.5797 4.7349 4.7349 4.7978 4.7978 4.8357 4.8357 4.8856 4.8856 6.0610 6.0610 6.0865 6.0865 6.3951 6.3951 7.6610 7.6610 7.9728 7.9728 8.1316 8.1316 8.3132 8.3132 8.3655 8.3655 10.6675 10.6675 10.6776 10.6776 k = 0.5000 0.5000 0.3103 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.6873 -6.6873 -6.5831 -6.5831 -6.5799 -6.5799 -6.4938 -6.4938 1.1931 1.1931 1.2088 1.2088 1.2332 1.2332 1.7622 1.7622 2.6202 2.6202 2.6368 2.6368 2.6510 2.6510 2.6813 2.6813 2.7964 2.7964 3.0429 3.0429 3.0931 3.0931 3.1062 3.1062 3.8286 3.8286 3.9469 3.9469 3.9597 3.9597 4.0692 4.0692 4.0969 4.0969 4.1107 4.1107 4.3819 4.3819 4.5857 4.5857 4.7274 4.7274 4.7883 4.7883 4.8303 4.8303 4.8822 4.8822 6.1095 6.1095 6.1382 6.1382 6.4052 6.4052 7.6901 7.6901 7.9694 7.9694 8.1663 8.1663 8.3222 8.3222 8.3737 8.3737 10.6042 10.6042 10.6153 10.6153 k = 0.5000 0.5000 0.3276 ( 6544 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7282 -31.7282 -6.6786 -6.6786 -6.5822 -6.5822 -6.5791 -6.5791 -6.5007 -6.5007 1.1762 1.1762 1.1929 1.1929 1.2149 1.2149 1.7416 1.7416 2.6312 2.6312 2.6438 2.6438 2.6591 2.6591 2.6904 2.6904 2.7902 2.7902 3.0549 3.0549 3.0954 3.0954 3.1077 3.1077 3.8250 3.8250 3.9532 3.9532 3.9621 3.9621 4.0655 4.0655 4.0966 4.0966 4.1100 4.1100 4.3851 4.3851 4.5932 4.5932 4.7199 4.7199 4.7788 4.7788 4.8247 4.8247 4.8774 4.8774 6.1568 6.1568 6.1888 6.1888 6.4150 6.4150 7.7207 7.7207 7.9660 7.9660 8.1985 8.1985 8.3308 8.3308 8.3809 8.3809 10.5436 10.5436 10.5556 10.5556 k = 0.5000 0.5000 0.3448 ( 6560 PWs) bands (ev): -58.1390 -58.1390 -32.5545 -32.5545 -31.7283 -31.7283 -31.7283 -31.7283 -6.6697 -6.6697 -6.5814 -6.5814 -6.5784 -6.5784 -6.5078 -6.5078 1.1604 1.1604 1.1781 1.1781 1.1978 1.1978 1.7227 1.7227 2.6412 2.6412 2.6501 2.6501 2.6672 2.6672 2.6989 2.6989 2.7839 2.7839 3.0656 3.0656 3.0976 3.0976 3.1091 3.1091 3.8216 3.8216 3.9579 3.9579 3.9661 3.9661 4.0613 4.0613 4.0969 4.0969 4.1095 4.1095 4.3878 4.3878 4.6018 4.6018 4.7126 4.7126 4.7695 4.7695 4.8191 4.8191 4.8713 4.8713 6.2023 6.2023 6.2377 6.2377 6.4245 6.4245 7.7521 7.7521 7.9628 7.9628 8.2277 8.2277 8.3391 8.3391 8.3870 8.3870 10.4864 10.4864 10.4990 10.4990 k = 0.5000 0.5000 0.3621 ( 6568 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6606 -6.6606 -6.5806 -6.5806 -6.5778 -6.5778 -6.5153 -6.5153 1.1460 1.1460 1.1647 1.1647 1.1821 1.1821 1.7056 1.7056 2.6502 2.6502 2.6562 2.6562 2.6750 2.6750 2.7068 2.7068 2.7777 2.7777 3.0751 3.0751 3.0997 3.0997 3.1104 3.1104 3.8184 3.8184 3.9605 3.9605 3.9720 3.9720 4.0571 4.0571 4.0976 4.0976 4.1090 4.1090 4.3900 4.3900 4.6115 4.6115 4.7056 4.7056 4.7607 4.7607 4.8136 4.8136 4.8639 4.8639 6.2452 6.2452 6.2841 6.2841 6.4336 6.4336 7.7838 7.7838 7.9597 7.9597 8.2530 8.2530 8.3477 8.3477 8.3921 8.3921 10.4333 10.4333 10.4464 10.4464 k = 0.5000 0.5000 0.3793 ( 6576 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6514 -6.6514 -6.5799 -6.5799 -6.5772 -6.5772 -6.5230 -6.5230 1.1330 1.1330 1.1527 1.1527 1.1678 1.1678 1.6904 1.6904 2.6582 2.6582 2.6622 2.6622 2.6822 2.6822 2.7138 2.7138 2.7714 2.7714 3.0833 3.0833 3.1017 3.1017 3.1117 3.1117 3.8156 3.8156 3.9621 3.9621 3.9787 3.9787 4.0529 4.0529 4.0985 4.0985 4.1085 4.1085 4.3919 4.3919 4.6218 4.6218 4.6991 4.6991 4.7527 4.7527 4.8085 4.8085 4.8552 4.8552 6.2848 6.2848 6.3272 6.3272 6.4424 6.4424 7.8151 7.8151 7.9569 7.9569 8.2737 8.2737 8.3567 8.3567 8.3961 8.3961 10.3849 10.3849 10.3983 10.3983 k = 0.5000 0.5000 0.3966 ( 6580 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6421 -6.6421 -6.5793 -6.5793 -6.5767 -6.5767 -6.5310 -6.5310 1.1216 1.1216 1.1422 1.1422 1.1551 1.1551 1.6771 1.6771 2.6650 2.6650 2.6681 2.6681 2.6886 2.6886 2.7201 2.7201 2.7652 2.7652 3.0903 3.0903 3.1035 3.1035 3.1128 3.1128 3.8131 3.8131 3.9632 3.9632 3.9855 3.9855 4.0487 4.0487 4.0995 4.0995 4.1081 4.1081 4.3935 4.3935 4.6325 4.6325 4.6933 4.6933 4.7458 4.7458 4.8039 4.8039 4.8456 4.8456 6.3202 6.3202 6.3665 6.3665 6.4508 6.4508 7.8451 7.8451 7.9544 7.9544 8.2894 8.2894 8.3664 8.3664 8.3992 8.3992 10.3418 10.3418 10.3552 10.3552 k = 0.5000 0.5000 0.4138 ( 6584 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6327 -6.6327 -6.5788 -6.5788 -6.5762 -6.5762 -6.5392 -6.5392 1.1117 1.1117 1.1334 1.1334 1.1441 1.1441 1.6657 1.6657 2.6708 2.6708 2.6737 2.6737 2.6943 2.6943 2.7256 2.7256 2.7592 2.7592 3.0961 3.0961 3.1051 3.1051 3.1138 3.1138 3.8111 3.8111 3.9641 3.9641 3.9923 3.9923 4.0445 4.0445 4.1005 4.1005 4.1077 4.1077 4.3947 4.3947 4.6429 4.6429 4.6882 4.6882 4.7404 4.7404 4.7999 4.7999 4.8351 4.8351 6.3506 6.3506 6.4011 6.4011 6.4590 6.4590 7.8729 7.8729 7.9523 7.9523 8.3003 8.3003 8.3763 8.3763 8.4013 8.4013 10.3045 10.3045 10.3174 10.3174 k = 0.5000 0.5000 0.4310 ( 6588 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6234 -6.6234 -6.5783 -6.5783 -6.5758 -6.5758 -6.5475 -6.5475 1.1036 1.1036 1.1263 1.1263 1.1348 1.1348 1.6564 1.6564 2.6760 2.6760 2.6785 2.6785 2.6992 2.6992 2.7302 2.7302 2.7535 2.7535 3.1008 3.1008 3.1064 3.1064 3.1147 3.1147 3.8093 3.8093 3.9647 3.9647 3.9988 3.9988 4.0403 4.0403 4.1015 4.1015 4.1072 4.1072 4.3956 4.3956 4.6526 4.6526 4.6840 4.6840 4.7370 4.7370 4.7964 4.7964 4.8243 4.8243 6.3754 6.3754 6.4305 6.4305 6.4669 6.4669 7.8976 7.8976 7.9504 7.9504 8.3074 8.3074 8.3856 8.3856 8.4028 8.4028 10.2735 10.2735 10.2852 10.2852 k = 0.5000 0.5000 0.4483 ( 6588 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6142 -6.6142 -6.5780 -6.5780 -6.5755 -6.5755 -6.5560 -6.5560 1.0971 1.0971 1.1209 1.1209 1.1272 1.1272 1.6491 1.6491 2.6804 2.6804 2.6823 2.6823 2.7032 2.7032 2.7338 2.7338 2.7483 2.7483 3.1043 3.1043 3.1075 3.1075 3.1155 3.1155 3.8080 3.8080 3.9652 3.9652 4.0050 4.0050 4.0359 4.0359 4.1024 4.1024 4.1067 4.1067 4.3963 4.3963 4.6607 4.6607 4.6805 4.6805 4.7359 4.7359 4.7937 4.7937 4.8136 4.8136 6.3941 6.3941 6.4541 6.4541 6.4742 6.4742 7.9181 7.9181 7.9490 7.9490 8.3118 8.3118 8.3934 8.3934 8.4037 8.4037 10.2492 10.2492 10.2586 10.2586 k = 0.5000 0.5000 0.4655 ( 6588 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.6052 -6.6052 -6.5778 -6.5778 -6.5753 -6.5753 -6.5643 -6.5643 1.0925 1.0925 1.1173 1.1173 1.1215 1.1215 1.6439 1.6439 2.6840 2.6840 2.6851 2.6851 2.7064 2.7064 2.7364 2.7364 2.7440 2.7440 3.1067 3.1067 3.1082 3.1082 3.1161 3.1161 3.8071 3.8071 3.9655 3.9655 4.0109 4.0109 4.0315 4.0315 4.1033 4.1033 4.1061 4.1061 4.3968 4.3968 4.6668 4.6668 4.6778 4.6778 4.7371 4.7371 4.7919 4.7919 4.8038 4.8038 6.4069 6.4069 6.4713 6.4713 6.4805 6.4805 7.9337 7.9337 7.9479 7.9479 8.3143 8.3143 8.3992 8.3992 8.4042 8.4042 10.2319 10.2319 10.2383 10.2383 k = 0.5000 0.5000 0.4828 ( 6564 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5972 -6.5972 -6.5779 -6.5779 -6.5752 -6.5752 -6.5718 -6.5718 1.0898 1.0898 1.1156 1.1156 1.1177 1.1177 1.6407 1.6407 2.6863 2.6863 2.6868 2.6868 2.7086 2.7086 2.7381 2.7381 2.7409 2.7409 3.1082 3.1082 3.1087 3.1087 3.1166 3.1166 3.8065 3.8065 3.9658 3.9658 4.0165 4.0165 4.0268 4.0268 4.1041 4.1041 4.1056 4.1056 4.3971 4.3971 4.6709 4.6709 4.6756 4.6756 4.7392 4.7392 4.7911 4.7911 4.7962 4.7962 6.4142 6.4142 6.4819 6.4819 6.4848 6.4848 7.9434 7.9434 7.9473 7.9473 8.3156 8.3156 8.4028 8.4028 8.4044 8.4044 10.2220 10.2220 10.2251 10.2251 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.1390 -58.1390 -32.5546 -32.5546 -31.7283 -31.7283 -31.7283 -31.7283 -6.5929 -6.5929 -6.5786 -6.5786 -6.5751 -6.5751 -6.5751 -6.5751 1.0888 1.0888 1.1157 1.1157 1.1157 1.1157 1.6397 1.6397 2.6874 2.6874 2.6874 2.6874 2.7095 2.7095 2.7393 2.7393 2.7393 2.7393 3.1089 3.1089 3.1089 3.1089 3.1169 3.1169 3.8065 3.8065 3.9660 3.9660 4.0220 4.0220 4.0220 4.0220 4.1050 4.1050 4.1050 4.1050 4.3974 4.3974 4.6736 4.6736 4.6736 4.6736 4.7405 4.7405 4.7921 4.7921 4.7921 4.7921 6.4166 6.4166 6.4859 6.4859 6.4859 6.4859 7.9469 7.9469 7.9469 7.9469 8.3160 8.3160 8.4043 8.4043 8.4043 8.4043 10.2196 10.2196 10.2196 10.2196 Writing output data file VCu3Se4.save init_run : 4.71s CPU 10.98s WALL ( 1 calls) electrons : 1561.92s CPU 1578.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 1561.86s CPU 1577.54s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.84s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.48s WALL ( 1 calls) newd : 1.15s CPU 1.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 222 calls) cegterg : 1509.39s CPU 1522.53s WALL ( 796 calls) Called by sum_band: Called by *egterg: h_psi : 452.93s CPU 463.56s WALL ( 15616 calls) s_psi : 52.80s CPU 53.34s WALL ( 15616 calls) g_psi : 1.39s CPU 1.40s WALL ( 14598 calls) cdiaghg : 748.52s CPU 746.05s WALL ( 14820 calls) cegterg:over : 133.99s CPU 129.99s WALL ( 14598 calls) cegterg:upda : 42.72s CPU 46.28s WALL ( 14598 calls) cegterg:last : 29.27s CPU 29.71s WALL ( 1684 calls) Called by h_psi: h_psi:vloc : 342.16s CPU 350.21s WALL ( 15616 calls) h_psi:vnl : 109.93s CPU 111.69s WALL ( 15616 calls) add_vuspsi : 39.88s CPU 45.61s WALL ( 15616 calls) General routines calbec : 69.98s CPU 65.95s WALL ( 15616 calls) fft : 0.40s CPU 1.48s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 303.84s CPU 305.39s WALL ( 1642768 calls) interpolate : 0.09s CPU 0.13s WALL ( 4 calls) davcio : 0.01s CPU 1.64s WALL ( 444 calls) Parallel routines fft_scatter : 214.19s CPU 211.38s WALL ( 1642791 calls) PWSCF : 27m16.13s CPU 29m25.18s WALL This run was terminated on: 3:10:10 2Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=