Program PWSCF v.5.1.1 starts on 2Nov2015 at 3:46:39 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) = 10.5258 a.u. unit-cell volume = 1166.1706 (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)= 10.525774 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 49.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 5 total cpu time spent up to now is 88.9 secs Computing kpt #: 6 total cpu time spent up to now is 97.7 secs Computing kpt #: 7 total cpu time spent up to now is 105.7 secs Computing kpt #: 8 total cpu time spent up to now is 112.3 secs Computing kpt #: 9 total cpu time spent up to now is 118.3 secs Computing kpt #: 10 total cpu time spent up to now is 123.4 secs Computing kpt #: 11 total cpu time spent up to now is 129.0 secs Computing kpt #: 12 total cpu time spent up to now is 134.2 secs Computing kpt #: 13 total cpu time spent up to now is 139.2 secs Computing kpt #: 14 total cpu time spent up to now is 144.3 secs Computing kpt #: 15 total cpu time spent up to now is 149.4 secs Computing kpt #: 16 total cpu time spent up to now is 154.4 secs Computing kpt #: 17 total cpu time spent up to now is 160.2 secs Computing kpt #: 18 total cpu time spent up to now is 166.9 secs Computing kpt #: 19 total cpu time spent up to now is 172.3 secs Computing kpt #: 20 total cpu time spent up to now is 177.8 secs Computing kpt #: 21 total cpu time spent up to now is 183.4 secs Computing kpt #: 22 total cpu time spent up to now is 189.0 secs Computing kpt #: 23 total cpu time spent up to now is 194.7 secs Computing kpt #: 24 total cpu time spent up to now is 200.2 secs Computing kpt #: 25 total cpu time spent up to now is 205.7 secs Computing kpt #: 26 total cpu time spent up to now is 211.2 secs Computing kpt #: 27 total cpu time spent up to now is 216.6 secs Computing kpt #: 28 total cpu time spent up to now is 221.7 secs Computing kpt #: 29 total cpu time spent up to now is 226.8 secs Computing kpt #: 30 total cpu time spent up to now is 231.6 secs Computing kpt #: 31 total cpu time spent up to now is 236.4 secs Computing kpt #: 32 total cpu time spent up to now is 241.4 secs Computing kpt #: 33 total cpu time spent up to now is 246.5 secs Computing kpt #: 34 total cpu time spent up to now is 252.1 secs Computing kpt #: 35 total cpu time spent up to now is 257.7 secs Computing kpt #: 36 total cpu time spent up to now is 263.5 secs Computing kpt #: 37 total cpu time spent up to now is 269.1 secs Computing kpt #: 38 total cpu time spent up to now is 274.8 secs Computing kpt #: 39 total cpu time spent up to now is 280.7 secs Computing kpt #: 40 total cpu time spent up to now is 286.7 secs Computing kpt #: 41 total cpu time spent up to now is 292.9 secs Computing kpt #: 42 total cpu time spent up to now is 299.6 secs Computing kpt #: 43 total cpu time spent up to now is 306.8 secs Computing kpt #: 44 total cpu time spent up to now is 315.2 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.8 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.6 secs Computing kpt #: 47 total cpu time spent up to now is 345.9 secs Computing kpt #: 48 total cpu time spent up to now is 353.2 secs Computing kpt #: 49 total cpu time spent up to now is 359.7 secs Computing kpt #: 50 total cpu time spent up to now is 365.9 secs Computing kpt #: 51 total cpu time spent up to now is 371.9 secs Computing kpt #: 52 total cpu time spent up to now is 377.6 secs Computing kpt #: 53 total cpu time spent up to now is 383.1 secs Computing kpt #: 54 total cpu time spent up to now is 388.5 secs Computing kpt #: 55 total cpu time spent up to now is 393.7 secs Computing kpt #: 56 total cpu time spent up to now is 399.1 secs Computing kpt #: 57 total cpu time spent up to now is 404.3 secs Computing kpt #: 58 total cpu time spent up to now is 409.4 secs Computing kpt #: 59 total cpu time spent up to now is 414.4 secs Computing kpt #: 60 total cpu time spent up to now is 418.9 secs Computing kpt #: 61 total cpu time spent up to now is 423.5 secs Computing kpt #: 62 total cpu time spent up to now is 428.5 secs Computing kpt #: 63 total cpu time spent up to now is 433.6 secs Computing kpt #: 64 total cpu time spent up to now is 438.9 secs Computing kpt #: 65 total cpu time spent up to now is 444.1 secs Computing kpt #: 66 total cpu time spent up to now is 449.4 secs Computing kpt #: 67 total cpu time spent up to now is 454.8 secs Computing kpt #: 68 total cpu time spent up to now is 461.6 secs Computing kpt #: 69 total cpu time spent up to now is 470.2 secs Computing kpt #: 70 total cpu time spent up to now is 480.1 secs Computing kpt #: 71 total cpu time spent up to now is 488.7 secs Computing kpt #: 72 total cpu time spent up to now is 496.3 secs Computing kpt #: 73 total cpu time spent up to now is 502.9 secs Computing kpt #: 74 total cpu time spent up to now is 509.4 secs Computing kpt #: 75 total cpu time spent up to now is 516.0 secs Computing kpt #: 76 total cpu time spent up to now is 522.4 secs Computing kpt #: 77 total cpu time spent up to now is 528.7 secs Computing kpt #: 78 total cpu time spent up to now is 535.0 secs Computing kpt #: 79 total cpu time spent up to now is 541.5 secs Computing kpt #: 80 total cpu time spent up to now is 547.3 secs Computing kpt #: 81 total cpu time spent up to now is 553.1 secs Computing kpt #: 82 total cpu time spent up to now is 558.8 secs Computing kpt #: 83 total cpu time spent up to now is 565.4 secs Computing kpt #: 84 total cpu time spent up to now is 571.8 secs Computing kpt #: 85 total cpu time spent up to now is 579.0 secs Computing kpt #: 86 total cpu time spent up to now is 586.2 secs Computing kpt #: 87 total cpu time spent up to now is 594.0 secs Computing kpt #: 88 total cpu time spent up to now is 602.5 secs Computing kpt #: 89 total cpu time spent up to now is 612.5 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.2 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.6 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 665.7 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.5 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.2 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.9 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 758.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 768.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 789.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 799.1 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 809.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 819.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 829.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 850.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 881.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 891.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 901.9 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 912.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 922.5 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.8 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 963.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 984.5 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.1 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1025.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.7 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.0 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1056.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1068.0 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1088.2 secs Computing kpt #: 136 total cpu time spent up to now is 1093.9 secs Computing kpt #: 137 total cpu time spent up to now is 1103.1 secs Computing kpt #: 138 total cpu time spent up to now is 1112.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1122.6 secs Computing kpt #: 140 total cpu time spent up to now is 1131.1 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1141.0 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1151.0 secs Computing kpt #: 143 total cpu time spent up to now is 1157.2 secs Computing kpt #: 144 total cpu time spent up to now is 1164.3 secs Computing kpt #: 145 total cpu time spent up to now is 1170.4 secs Computing kpt #: 146 total cpu time spent up to now is 1176.7 secs Computing kpt #: 147 total cpu time spent up to now is 1182.4 secs Computing kpt #: 148 total cpu time spent up to now is 1187.9 secs Computing kpt #: 149 total cpu time spent up to now is 1194.1 secs Computing kpt #: 150 total cpu time spent up to now is 1200.2 secs Computing kpt #: 151 total cpu time spent up to now is 1205.9 secs Computing kpt #: 152 total cpu time spent up to now is 1211.6 secs Computing kpt #: 153 total cpu time spent up to now is 1217.7 secs Computing kpt #: 154 total cpu time spent up to now is 1223.7 secs Computing kpt #: 155 total cpu time spent up to now is 1229.7 secs Computing kpt #: 156 total cpu time spent up to now is 1235.4 secs Computing kpt #: 157 total cpu time spent up to now is 1241.3 secs Computing kpt #: 158 total cpu time spent up to now is 1247.1 secs Computing kpt #: 159 total cpu time spent up to now is 1252.9 secs Computing kpt #: 160 total cpu time spent up to now is 1258.4 secs Computing kpt #: 161 total cpu time spent up to now is 1263.7 secs Computing kpt #: 162 total cpu time spent up to now is 1269.1 secs Computing kpt #: 163 total cpu time spent up to now is 1274.3 secs Computing kpt #: 164 total cpu time spent up to now is 1279.5 secs Computing kpt #: 165 total cpu time spent up to now is 1284.7 secs Computing kpt #: 166 total cpu time spent up to now is 1289.9 secs Computing kpt #: 167 total cpu time spent up to now is 1295.0 secs Computing kpt #: 168 total cpu time spent up to now is 1300.2 secs Computing kpt #: 169 total cpu time spent up to now is 1305.2 secs Computing kpt #: 170 total cpu time spent up to now is 1310.3 secs Computing kpt #: 171 total cpu time spent up to now is 1315.3 secs Computing kpt #: 172 total cpu time spent up to now is 1320.3 secs Computing kpt #: 173 total cpu time spent up to now is 1325.2 secs Computing kpt #: 174 total cpu time spent up to now is 1330.3 secs Computing kpt #: 175 total cpu time spent up to now is 1335.4 secs Computing kpt #: 176 total cpu time spent up to now is 1340.6 secs Computing kpt #: 177 total cpu time spent up to now is 1345.6 secs Computing kpt #: 178 total cpu time spent up to now is 1351.1 secs Computing kpt #: 179 total cpu time spent up to now is 1357.1 secs Computing kpt #: 180 total cpu time spent up to now is 1364.0 secs Computing kpt #: 181 total cpu time spent up to now is 1370.5 secs Computing kpt #: 182 total cpu time spent up to now is 1376.8 secs Computing kpt #: 183 total cpu time spent up to now is 1383.0 secs Computing kpt #: 184 total cpu time spent up to now is 1389.0 secs Computing kpt #: 185 total cpu time spent up to now is 1394.9 secs Computing kpt #: 186 total cpu time spent up to now is 1400.7 secs Computing kpt #: 187 total cpu time spent up to now is 1406.4 secs Computing kpt #: 188 total cpu time spent up to now is 1411.7 secs Computing kpt #: 189 total cpu time spent up to now is 1417.0 secs Computing kpt #: 190 total cpu time spent up to now is 1422.0 secs Computing kpt #: 191 total cpu time spent up to now is 1427.2 secs Computing kpt #: 192 total cpu time spent up to now is 1432.1 secs Computing kpt #: 193 total cpu time spent up to now is 1436.6 secs Computing kpt #: 194 total cpu time spent up to now is 1441.3 secs Computing kpt #: 195 total cpu time spent up to now is 1446.1 secs Computing kpt #: 196 total cpu time spent up to now is 1451.1 secs Computing kpt #: 197 total cpu time spent up to now is 1456.1 secs Computing kpt #: 198 total cpu time spent up to now is 1461.3 secs Computing kpt #: 199 total cpu time spent up to now is 1466.4 secs Computing kpt #: 200 total cpu time spent up to now is 1471.6 secs Computing kpt #: 201 total cpu time spent up to now is 1476.9 secs Computing kpt #: 202 total cpu time spent up to now is 1482.2 secs Computing kpt #: 203 total cpu time spent up to now is 1487.5 secs Computing kpt #: 204 total cpu time spent up to now is 1493.3 secs Computing kpt #: 205 total cpu time spent up to now is 1498.8 secs Computing kpt #: 206 total cpu time spent up to now is 1504.5 secs Computing kpt #: 207 total cpu time spent up to now is 1510.1 secs Computing kpt #: 208 total cpu time spent up to now is 1515.7 secs Computing kpt #: 209 total cpu time spent up to now is 1521.4 secs Computing kpt #: 210 total cpu time spent up to now is 1527.1 secs Computing kpt #: 211 total cpu time spent up to now is 1532.9 secs Computing kpt #: 212 total cpu time spent up to now is 1538.8 secs Computing kpt #: 213 total cpu time spent up to now is 1544.6 secs Computing kpt #: 214 total cpu time spent up to now is 1550.4 secs Computing kpt #: 215 total cpu time spent up to now is 1556.4 secs Computing kpt #: 216 total cpu time spent up to now is 1562.4 secs Computing kpt #: 217 total cpu time spent up to now is 1568.6 secs Computing kpt #: 218 total cpu time spent up to now is 1574.5 secs Computing kpt #: 219 total cpu time spent up to now is 1580.6 secs Computing kpt #: 220 total cpu time spent up to now is 1586.6 secs Computing kpt #: 221 total cpu time spent up to now is 1592.4 secs Computing kpt #: 222 total cpu time spent up to now is 1598.1 secs ethr = 1.43E-11, avg # of iterations = 65.8 total cpu time spent up to now is 1598.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3224 -7.3224 -6.2385 -6.2385 -6.2360 -6.2360 -6.2360 -6.2360 0.9495 0.9495 0.9495 0.9495 1.4258 1.4258 2.5617 2.5617 2.6031 2.6031 2.6031 2.6031 3.0030 3.0030 3.1096 3.1096 3.1096 3.1096 3.5561 3.5561 3.5561 3.5561 3.5895 3.5895 3.5956 3.5956 3.5956 3.5956 4.1142 4.1142 4.1505 4.1505 4.1505 4.1505 4.2671 4.2671 4.2671 4.2671 4.3158 4.3158 4.7305 4.7305 4.8529 4.8529 4.9500 4.9500 4.9500 4.9500 6.0140 6.0140 6.0140 6.0140 6.0344 6.0344 7.3598 7.3598 7.3598 7.3598 7.8503 7.8503 8.0585 8.0585 8.0585 8.0585 8.8614 8.8614 10.9733 10.9750 k = 0.0000 0.0172-0.0000 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3218 -7.3218 -6.2389 -6.2389 -6.2365 -6.2365 -6.2360 -6.2360 0.9500 0.9500 0.9510 0.9510 1.4267 1.4267 2.5614 2.5614 2.6021 2.6021 2.6036 2.6036 3.0024 3.0024 3.1078 3.1078 3.1100 3.1100 3.5454 3.5454 3.5583 3.5583 3.5843 3.5843 3.5936 3.5936 3.6104 3.6104 4.1131 4.1131 4.1439 4.1439 4.1564 4.1564 4.2636 4.2636 4.2714 4.2714 4.3163 4.3163 4.7308 4.7308 4.8527 4.8527 4.9464 4.9464 4.9527 4.9527 6.0118 6.0118 6.0141 6.0141 6.0334 6.0334 7.3599 7.3599 7.3606 7.3606 7.8493 7.8493 8.0544 8.0544 8.0585 8.0585 8.8711 8.8711 10.9725 10.9732 k = 0.0000 0.0345-0.0000 ( 6611 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3198 -7.3198 -6.2408 -6.2408 -6.2372 -6.2372 -6.2359 -6.2359 0.9523 0.9523 0.9548 0.9548 1.4296 1.4296 2.5604 2.5604 2.6001 2.6001 2.6043 2.6043 3.0005 3.0005 3.1041 3.1041 3.1094 3.1094 3.5259 3.5259 3.5582 3.5582 3.5819 3.5819 3.5943 3.5943 3.6293 3.6293 4.1096 4.1096 4.1377 4.1377 4.1607 4.1607 4.2610 4.2610 4.2761 4.2761 4.3176 4.3176 4.7316 4.7316 4.8522 4.8522 4.9420 4.9420 4.9546 4.9546 6.0061 6.0061 6.0137 6.0137 6.0309 6.0309 7.3601 7.3601 7.3627 7.3627 7.8459 7.8459 8.0431 8.0431 8.0583 8.0583 8.8994 8.8994 10.9708 10.9708 k = 0.0000 0.0517-0.0000 ( 6579 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3166 -7.3166 -6.2450 -6.2450 -6.2373 -6.2373 -6.2359 -6.2359 0.9564 0.9564 0.9609 0.9609 1.4345 1.4345 2.5582 2.5582 2.5973 2.5973 2.6054 2.6054 2.9973 2.9973 3.0986 3.0986 3.1081 3.1081 3.5021 3.5021 3.5575 3.5575 3.5814 3.5814 3.5955 3.5955 3.6488 3.6488 4.1033 4.1033 4.1328 4.1328 4.1630 4.1630 4.2595 4.2595 4.2807 4.2807 4.3202 4.3202 4.7330 4.7330 4.8514 4.8514 4.9369 4.9369 4.9557 4.9557 5.9958 5.9958 6.0128 6.0128 6.0277 6.0277 7.3604 7.3604 7.3662 7.3662 7.8399 7.8399 8.0269 8.0269 8.0580 8.0580 8.9442 8.9442 10.9681 10.9682 k = 0.0000 0.0690-0.0000 ( 6579 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3120 -7.3120 -6.2510 -6.2510 -6.2373 -6.2373 -6.2358 -6.2358 0.9622 0.9622 0.9693 0.9693 1.4412 1.4412 2.5541 2.5541 2.5944 2.5944 2.6068 2.6068 2.9925 2.9925 3.0913 3.0913 3.1061 3.1061 3.4759 3.4759 3.5566 3.5566 3.5812 3.5812 3.5972 3.5972 3.6682 3.6682 4.0943 4.0943 4.1294 4.1294 4.1629 4.1629 4.2591 4.2591 4.2846 4.2846 4.3243 4.3243 4.7348 4.7348 4.8503 4.8503 4.9311 4.9311 4.9561 4.9561 5.9806 5.9806 6.0115 6.0115 6.0243 6.0243 7.3605 7.3605 7.3709 7.3709 7.8307 7.8307 8.0088 8.0088 8.0574 8.0574 9.0027 9.0027 10.9655 10.9655 k = 0.0000 0.0862-0.0000 ( 6575 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3062 -7.3062 -6.2588 -6.2588 -6.2372 -6.2372 -6.2356 -6.2356 0.9696 0.9696 0.9801 0.9801 1.4499 1.4499 2.5475 2.5475 2.5921 2.5921 2.6086 2.6086 2.9858 2.9858 3.0827 3.0827 3.1036 3.1036 3.4477 3.4477 3.5556 3.5556 3.5809 3.5809 3.5994 3.5994 3.6873 3.6873 4.0837 4.0837 4.1269 4.1269 4.1606 4.1606 4.2597 4.2597 4.2875 4.2875 4.3303 4.3303 4.7371 4.7371 4.8489 4.8489 4.9249 4.9249 4.9559 4.9559 5.9610 5.9610 6.0099 6.0099 6.0206 6.0206 7.3603 7.3603 7.3768 7.3768 7.8179 7.8179 7.9914 7.9914 8.0566 8.0566 9.0724 9.0724 10.9634 10.9634 k = 0.0000 0.1034-0.0000 ( 6567 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2992 -7.2992 -6.2683 -6.2683 -6.2371 -6.2371 -6.2355 -6.2355 0.9787 0.9787 0.9932 0.9932 1.4605 1.4605 2.5377 2.5377 2.5910 2.5910 2.6108 2.6108 2.9767 2.9767 3.0733 3.0733 3.1005 3.1005 3.4177 3.4177 3.5546 3.5546 3.5805 3.5805 3.6021 3.6021 3.7060 3.7060 4.0722 4.0722 4.1248 4.1248 4.1563 4.1563 4.2610 4.2610 4.2892 4.2892 4.3380 4.3380 4.7398 4.7398 4.8472 4.8472 4.9184 4.9184 4.9552 4.9552 5.9375 5.9375 6.0080 6.0080 6.0166 6.0166 7.3596 7.3596 7.3838 7.3838 7.8018 7.8018 7.9766 7.9766 8.0554 8.0554 9.1511 9.1511 10.9625 10.9625 k = 0.0000 0.1207-0.0000 ( 6575 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2909 -7.2909 -6.2794 -6.2794 -6.2369 -6.2369 -6.2353 -6.2353 0.9893 0.9893 1.0085 1.0085 1.4730 1.4730 2.5249 2.5249 2.5910 2.5910 2.6132 2.6132 2.9648 2.9648 3.0637 3.0637 3.0968 3.0968 3.3859 3.3859 3.5536 3.5536 3.5800 3.5800 3.6051 3.6051 3.7243 3.7243 4.0604 4.0604 4.1229 4.1229 4.1502 4.1502 4.2627 4.2627 4.2898 4.2898 4.3472 4.3472 4.7428 4.7428 4.8453 4.8453 4.9117 4.9117 4.9541 4.9541 5.9106 5.9106 6.0057 6.0057 6.0121 6.0121 7.3580 7.3580 7.3917 7.3917 7.7832 7.7832 7.9649 7.9649 8.0536 8.0536 9.2371 9.2371 10.9632 10.9632 k = 0.0000 0.1379-0.0000 ( 6571 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2813 -7.2813 -6.2920 -6.2920 -6.2367 -6.2367 -6.2351 -6.2351 1.0014 1.0014 1.0261 1.0261 1.4873 1.4873 2.5093 2.5093 2.5921 2.5921 2.6161 2.6161 2.9498 2.9498 3.0544 3.0544 3.0925 3.0925 3.3523 3.3523 3.5527 3.5527 3.5794 3.5794 3.6083 3.6083 3.7423 3.7423 4.0487 4.0487 4.1209 4.1209 4.1427 4.1427 4.2645 4.2645 4.2895 4.2895 4.3574 4.3574 4.7463 4.7463 4.8433 4.8433 4.9050 4.9050 4.9527 4.9527 5.8807 5.8807 6.0030 6.0030 6.0071 6.0071 7.3555 7.3555 7.4003 7.4003 7.7632 7.7632 7.9559 7.9559 8.0513 8.0513 9.3288 9.3288 10.9658 10.9658 k = 0.0000 0.1552-0.0000 ( 6579 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2706 -7.2706 -6.3061 -6.3061 -6.2365 -6.2365 -6.2349 -6.2349 1.0149 1.0149 1.0459 1.0459 1.5035 1.5035 2.4911 2.4911 2.5939 2.5939 2.6192 2.6192 2.9314 2.9314 3.0458 3.0458 3.0877 3.0877 3.3169 3.3169 3.5519 3.5519 3.5786 3.5786 3.6116 3.6116 3.7597 3.7597 4.0373 4.0373 4.1187 4.1187 4.1342 4.1342 4.2662 4.2662 4.2886 4.2886 4.3682 4.3682 4.7502 4.7502 4.8413 4.8413 4.8986 4.8986 4.9512 4.9512 5.8483 5.8483 6.0001 6.0001 6.0019 6.0019 7.3518 7.3518 7.4095 7.4095 7.7433 7.7433 7.9490 7.9490 8.0484 8.0484 9.4252 9.4252 10.9706 10.9706 k = 0.0000 0.1724-0.0000 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2587 -7.2587 -6.3217 -6.3217 -6.2362 -6.2362 -6.2347 -6.2347 1.0298 1.0298 1.0678 1.0678 1.5215 1.5215 2.4706 2.4706 2.5963 2.5963 2.6227 2.6227 2.9098 2.9098 3.0380 3.0380 3.0823 3.0823 3.2800 3.2800 3.5512 3.5512 3.5779 3.5779 3.6151 3.6151 3.7769 3.7769 4.0265 4.0265 4.1164 4.1164 4.1252 4.1252 4.2674 4.2674 4.2871 4.2871 4.3795 4.3795 4.7545 4.7545 4.8395 4.8395 4.8926 4.8926 4.9497 4.9497 5.8140 5.8140 5.9957 5.9957 5.9974 5.9974 7.3469 7.3469 7.4192 7.4192 7.7245 7.7245 7.9435 7.9435 8.0448 8.0448 9.5253 9.5253 10.9777 10.9777 k = 0.0000 0.1897-0.0000 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2457 -7.2457 -6.3386 -6.3386 -6.2359 -6.2359 -6.2345 -6.2345 1.0461 1.0461 1.0917 1.0917 1.5412 1.5412 2.4478 2.4478 2.5991 2.5991 2.6263 2.6263 2.8852 2.8852 3.0310 3.0310 3.0762 3.0762 3.2416 3.2416 3.5507 3.5507 3.5771 3.5771 3.6185 3.6185 3.7934 3.7934 4.0163 4.0163 4.1131 4.1131 4.1164 4.1164 4.2680 4.2680 4.2851 4.2851 4.3908 4.3908 4.7593 4.7593 4.8379 4.8379 4.8871 4.8871 4.9482 4.9482 5.7780 5.7780 5.9897 5.9897 5.9939 5.9939 7.3407 7.3407 7.4291 7.4291 7.7075 7.7075 7.9387 7.9387 8.0405 8.0405 9.6281 9.6281 10.9871 10.9871 k = 0.0000 0.2069-0.0000 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2316 -7.2316 -6.3567 -6.3567 -6.2357 -6.2357 -6.2342 -6.2342 1.0635 1.0635 1.1175 1.1175 1.5628 1.5628 2.4231 2.4231 2.6023 2.6023 2.6302 2.6302 2.8581 2.8581 3.0246 3.0246 3.0691 3.0691 3.2022 3.2022 3.5503 3.5503 3.5763 3.5763 3.6219 3.6219 3.8094 3.8094 4.0070 4.0070 4.1049 4.1049 4.1120 4.1120 4.2678 4.2678 4.2827 4.2827 4.4021 4.4021 4.7645 4.7645 4.8366 4.8366 4.8822 4.8822 4.9469 4.9469 5.7409 5.7409 5.9834 5.9834 5.9904 5.9904 7.3333 7.3333 7.4391 7.4391 7.6925 7.6925 7.9344 7.9344 8.0354 8.0354 9.7329 9.7329 10.9987 10.9987 k = 0.0000 0.2241-0.0000 ( 6543 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2164 -7.2164 -6.3761 -6.3761 -6.2354 -6.2354 -6.2340 -6.2340 1.0821 1.0821 1.1452 1.1452 1.5860 1.5860 2.3964 2.3964 2.6056 2.6056 2.6342 2.6342 2.8289 2.8289 3.0186 3.0186 3.0603 3.0603 3.1628 3.1628 3.5500 3.5500 3.5755 3.5755 3.6252 3.6252 3.8247 3.8247 3.9988 3.9988 4.0951 4.0951 4.1090 4.1090 4.2668 4.2668 4.2800 4.2800 4.4130 4.4130 4.7704 4.7704 4.8359 4.8359 4.8780 4.8780 4.9458 4.9458 5.7030 5.7030 5.9767 5.9767 5.9867 5.9867 7.3250 7.3250 7.4492 7.4492 7.6798 7.6798 7.9302 7.9302 8.0297 8.0297 9.8391 9.8391 11.0125 11.0125 k = 0.0000 0.2414-0.0000 ( 6551 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2003 -7.2003 -6.3964 -6.3964 -6.2351 -6.2351 -6.2337 -6.2337 1.1016 1.1016 1.1747 1.1747 1.6109 1.6109 2.3679 2.3679 2.6092 2.6092 2.6382 2.6382 2.7980 2.7980 3.0127 3.0127 3.0482 3.0482 3.1253 3.1253 3.5499 3.5499 3.5748 3.5748 3.6285 3.6285 3.8389 3.8389 3.9919 3.9919 4.0854 4.0854 4.1059 4.1059 4.2647 4.2647 4.2770 4.2770 4.4234 4.4234 4.7770 4.7770 4.8359 4.8359 4.8744 4.8744 4.9449 4.9449 5.6647 5.6647 5.9698 5.9698 5.9829 5.9829 7.3158 7.3158 7.4590 7.4590 7.6692 7.6692 7.9260 7.9260 8.0233 8.0233 9.9457 9.9457 11.0281 11.0281 k = 0.0000 0.2586-0.0000 ( 6551 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.1832 -7.1832 -6.4178 -6.4178 -6.2348 -6.2348 -6.2335 -6.2335 1.1220 1.1220 1.2059 1.2059 1.6373 1.6373 2.3378 2.3378 2.6129 2.6129 2.6423 2.6423 2.7658 2.7658 3.0056 3.0056 3.0298 3.0298 3.0943 3.0943 3.5500 3.5500 3.5742 3.5742 3.6316 3.6316 3.8520 3.8520 3.9864 3.9864 4.0758 4.0758 4.1026 4.1026 4.2617 4.2617 4.2740 4.2740 4.4331 4.4331 4.7843 4.7843 4.8366 4.8366 4.8716 4.8716 4.9443 4.9443 5.6262 5.6262 5.9628 5.9628 5.9790 5.9790 7.3062 7.3062 7.4686 7.4686 7.6605 7.6605 7.9217 7.9217 8.0163 8.0163 10.0522 10.0522 11.0454 11.0454 k = 0.0000 0.2759-0.0000 ( 6551 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.1653 -7.1653 -6.4399 -6.4399 -6.2345 -6.2345 -6.2332 -6.2332 1.1430 1.1430 1.2387 1.2387 1.6653 1.6653 2.3061 2.3061 2.6167 2.6167 2.6464 2.6464 2.7328 2.7328 2.9875 2.9875 3.0112 3.0112 3.0738 3.0738 3.5501 3.5501 3.5736 3.5736 3.6345 3.6345 3.8635 3.8635 3.9827 3.9827 4.0667 4.0667 4.0992 4.0992 4.2576 4.2576 4.2711 4.2711 4.4419 4.4419 4.7923 4.7923 4.8381 4.8381 4.8695 4.8695 4.9440 4.9440 5.5880 5.5880 5.9558 5.9558 5.9751 5.9751 7.2964 7.2964 7.4779 7.4779 7.6535 7.6535 7.9173 7.9173 8.0089 8.0089 10.1578 10.1578 11.0640 11.0640 k = 0.0000 0.2931-0.0000 ( 6551 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.1465 -7.1465 -6.4628 -6.4628 -6.2342 -6.2342 -6.2330 -6.2330 1.1645 1.1645 1.2728 1.2728 1.6946 1.6946 2.2729 2.2729 2.6205 2.6205 2.6503 2.6503 2.6994 2.6994 2.9501 2.9501 3.0037 3.0037 3.0609 3.0609 3.5504 3.5504 3.5731 3.5731 3.6373 3.6373 3.8729 3.8729 3.9811 3.9811 4.0580 4.0580 4.0957 4.0957 4.2527 4.2527 4.2683 4.2683 4.4497 4.4497 4.8010 4.8010 4.8403 4.8403 4.8680 4.8680 4.9440 4.9440 5.5502 5.5502 5.9489 5.9489 5.9713 5.9713 7.2867 7.2867 7.4866 7.4866 7.6479 7.6479 7.9127 7.9127 8.0012 8.0012 10.2617 10.2617 11.0834 11.0834 k = 0.0000 0.3103-0.0000 ( 6555 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.1271 -7.1271 -6.4862 -6.4862 -6.2339 -6.2339 -6.2327 -6.2327 1.1863 1.1863 1.3083 1.3083 1.7252 1.7252 2.2385 2.2385 2.6241 2.6241 2.6534 2.6534 2.6668 2.6668 2.9063 2.9063 2.9991 2.9991 3.0514 3.0514 3.5508 3.5508 3.5727 3.5727 3.6399 3.6399 3.8801 3.8801 3.9817 3.9817 4.0499 4.0499 4.0923 4.0923 4.2471 4.2471 4.2655 4.2655 4.4564 4.4564 4.8103 4.8103 4.8434 4.8434 4.8672 4.8672 4.9445 4.9445 5.5130 5.5130 5.9421 5.9421 5.9675 5.9675 7.2772 7.2772 7.4949 7.4949 7.6434 7.6434 7.9081 7.9081 7.9933 7.9933 10.3631 10.3631 11.1032 11.1032 k = 0.0000 0.3276-0.0000 ( 6563 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.1071 -7.1071 -6.5100 -6.5100 -6.2336 -6.2336 -6.2325 -6.2325 1.2081 1.2081 1.3449 1.3449 1.7568 1.7568 2.2030 2.2030 2.6253 2.6253 2.6344 2.6344 2.6588 2.6588 2.8603 2.8603 2.9954 2.9954 3.0434 3.0434 3.5512 3.5512 3.5723 3.5723 3.6423 3.6423 3.8849 3.8849 3.9844 3.9844 4.0424 4.0424 4.0889 4.0889 4.2412 4.2412 4.2627 4.2627 4.4620 4.4620 4.8199 4.8199 4.8471 4.8471 4.8672 4.8672 4.9454 4.9454 5.4768 5.4768 5.9354 5.9354 5.9638 5.9638 7.2683 7.2683 7.5025 7.5025 7.6398 7.6398 7.9036 7.9036 7.9854 7.9854 10.4614 10.4614 11.1228 11.1228 k = 0.0000 0.3448-0.0000 ( 6567 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.0866 -7.0866 -6.5341 -6.5341 -6.2334 -6.2334 -6.2323 -6.2323 1.2295 1.2295 1.3825 1.3825 1.7893 1.7893 2.1665 2.1665 2.5987 2.5987 2.6323 2.6323 2.6620 2.6620 2.8138 2.8138 2.9924 2.9924 3.0362 3.0362 3.5518 3.5518 3.5720 3.5720 3.6444 3.6444 3.8877 3.8877 3.9887 3.9887 4.0356 4.0356 4.0859 4.0859 4.2351 4.2351 4.2602 4.2602 4.4664 4.4664 4.8292 4.8292 4.8513 4.8513 4.8684 4.8684 4.9469 4.9469 5.4417 5.4417 5.9291 5.9291 5.9604 5.9604 7.2600 7.2600 7.5095 7.5095 7.6370 7.6370 7.8990 7.8990 7.9776 7.9776 10.5555 10.5555 11.1413 11.1413 k = 0.0000 0.3621-0.0000 ( 6543 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7741 -31.7741 -7.0659 -7.0659 -6.5581 -6.5581 -6.2331 -6.2331 -6.2321 -6.2321 1.2504 1.2504 1.4209 1.4209 1.8224 1.8224 2.1293 2.1293 2.5681 2.5681 2.6350 2.6350 2.6649 2.6649 2.7679 2.7679 2.9899 2.9899 3.0297 3.0297 3.5524 3.5524 3.5718 3.5718 3.6464 3.6464 3.8889 3.8889 3.9940 3.9940 4.0295 4.0295 4.0834 4.0834 4.2291 4.2291 4.2578 4.2578 4.4697 4.4697 4.8377 4.8377 4.8556 4.8556 4.8712 4.8712 4.9491 4.9491 5.4081 5.4081 5.9232 5.9232 5.9571 5.9571 7.2524 7.2524 7.5159 7.5159 7.6348 7.6348 7.8947 7.8947 7.9701 7.9701 10.6449 10.6449 11.1582 11.1582 k = 0.0000 0.3793-0.0000 ( 6543 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -7.0452 -7.0452 -6.5819 -6.5819 -6.2329 -6.2329 -6.2319 -6.2319 1.2702 1.2702 1.4599 1.4599 1.8554 1.8554 2.0917 2.0917 2.5390 2.5390 2.6366 2.6366 2.6669 2.6669 2.7244 2.7244 2.9880 2.9880 3.0235 3.0235 3.5530 3.5530 3.5716 3.5716 3.6481 3.6481 3.8890 3.8890 3.9993 3.9993 4.0242 4.0242 4.0815 4.0815 4.2233 4.2233 4.2557 4.2557 4.4721 4.4721 4.8446 4.8446 4.8594 4.8594 4.8762 4.8762 4.9523 4.9523 5.3760 5.3760 5.9177 5.9177 5.9541 5.9541 7.2456 7.2456 7.5215 7.5215 7.6330 7.6330 7.8907 7.8907 7.9631 7.9631 10.7288 10.7288 11.1725 11.1725 k = 0.0000 0.3966-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -7.0248 -7.0248 -6.6050 -6.6050 -6.2327 -6.2327 -6.2317 -6.2317 1.2887 1.2887 1.4991 1.4991 1.8877 1.8877 2.0542 2.0542 2.5123 2.5123 2.6343 2.6343 2.6654 2.6654 2.6896 2.6896 2.9866 2.9866 3.0178 3.0178 3.5537 3.5537 3.5715 3.5715 3.6497 3.6497 3.8884 3.8884 4.0041 4.0041 4.0198 4.0198 4.0804 4.0804 4.2179 4.2179 4.2538 4.2538 4.4735 4.4735 4.8495 4.8495 4.8627 4.8627 4.8830 4.8830 4.9566 4.9566 5.3460 5.3460 5.9128 5.9128 5.9515 5.9515 7.2397 7.2397 7.5264 7.5264 7.6317 7.6317 7.8870 7.8870 7.9566 7.9566 10.8064 10.8064 11.1833 11.1833 k = 0.0000 0.4138-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -7.0051 -7.0051 -6.6270 -6.6270 -6.2325 -6.2325 -6.2316 -6.2316 1.3054 1.3054 1.5381 1.5381 1.9175 1.9175 2.0181 2.0181 2.4885 2.4885 2.6165 2.6165 2.6569 2.6569 2.6790 2.6790 2.9858 2.9858 3.0125 3.0125 3.5543 3.5543 3.5713 3.5713 3.6510 3.6510 3.8875 3.8875 4.0075 4.0075 4.0166 4.0166 4.0802 4.0802 4.2130 4.2130 4.2521 4.2521 4.4744 4.4744 4.8527 4.8527 4.8660 4.8660 4.8900 4.8900 4.9622 4.9622 5.3183 5.3183 5.9085 5.9085 5.9491 5.9491 7.2346 7.2346 7.5305 7.5305 7.6306 7.6306 7.8837 7.8837 7.9508 7.9508 10.8773 10.8773 11.1898 11.1898 k = 0.0000 0.4310-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9867 -6.9867 -6.6473 -6.6473 -6.2324 -6.2324 -6.2315 -6.2315 1.3198 1.3198 1.5763 1.5763 1.9387 1.9387 1.9893 1.9893 2.4681 2.4681 2.5849 2.5849 2.6546 2.6546 2.6788 2.6788 2.9855 2.9855 3.0077 3.0077 3.5548 3.5548 3.5712 3.5712 3.6520 3.6520 3.8866 3.8866 4.0084 4.0084 4.0155 4.0155 4.0806 4.0806 4.2087 4.2087 4.2507 4.2507 4.4747 4.4747 4.8547 4.8547 4.8693 4.8693 4.8961 4.8961 4.9690 4.9690 5.2936 5.2936 5.9048 5.9048 5.9472 5.9472 7.2305 7.2305 7.5339 7.5339 7.6298 7.6298 7.8809 7.8809 7.9459 7.9459 10.9409 10.9409 11.1913 11.1913 k = 0.0000 0.4483-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9705 -6.9705 -6.6651 -6.6651 -6.2323 -6.2323 -6.2314 -6.2314 1.3316 1.3316 1.6126 1.6126 1.9288 1.9288 1.9899 1.9899 2.4518 2.4518 2.5538 2.5538 2.6549 2.6549 2.6797 2.6797 2.9858 2.9858 3.0034 3.0034 3.5552 3.5552 3.5712 3.5712 3.6527 3.6527 3.8857 3.8857 4.0073 4.0073 4.0161 4.0161 4.0815 4.0815 4.2053 4.2053 4.2496 4.2496 4.4747 4.4747 4.8558 4.8558 4.8721 4.8721 4.9008 4.9008 4.9764 4.9764 5.2727 5.2727 5.9019 5.9019 5.9456 5.9456 7.2273 7.2273 7.5365 7.5365 7.6292 7.6292 7.8787 7.8787 7.9420 7.9420 10.9967 10.9967 11.1872 11.1872 k = 0.0000 0.4655-0.0000 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9575 -6.9575 -6.6792 -6.6792 -6.2322 -6.2322 -6.2313 -6.2313 1.3403 1.3403 1.6449 1.6449 1.9017 1.9017 2.0062 2.0062 2.4398 2.4398 2.5285 2.5285 2.6557 2.6557 2.6805 2.6805 2.9864 2.9864 2.9998 2.9998 3.5556 3.5556 3.5711 3.5711 3.6532 3.6532 3.8851 3.8851 4.0060 4.0060 4.0168 4.0168 4.0825 4.0825 4.2028 4.2028 4.2488 4.2488 4.4746 4.4746 4.8565 4.8565 4.8744 4.8744 4.9039 4.9039 4.9832 4.9832 5.2565 5.2565 5.8998 5.8998 5.9445 5.9445 7.2250 7.2250 7.5383 7.5383 7.6289 7.6289 7.8771 7.8771 7.9391 7.9391 11.0439 11.0439 11.1774 11.1774 k = 0.0000 0.4828-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9490 -6.9490 -6.6884 -6.6884 -6.2321 -6.2321 -6.2313 -6.2313 1.3456 1.3456 1.6691 1.6691 1.8791 1.8791 2.0187 2.0187 2.4325 2.4325 2.5120 2.5120 2.6563 2.6563 2.6811 2.6811 2.9874 2.9874 2.9972 2.9972 3.5558 3.5558 3.5711 3.5711 3.6536 3.6536 3.8846 3.8846 4.0051 4.0051 4.0174 4.0174 4.0833 4.0833 4.2014 4.2014 4.2484 4.2484 4.4745 4.4745 4.8569 4.8569 4.8759 4.8759 4.9056 4.9056 4.9880 4.9880 5.2462 5.2462 5.8985 5.8985 5.9438 5.9438 7.2236 7.2236 7.5394 7.5394 7.6286 7.6286 7.8761 7.8761 7.9374 7.9374 11.0806 11.0806 11.1634 11.1634 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9460 -6.9460 -6.6916 -6.6916 -6.2321 -6.2321 -6.2313 -6.2313 1.3474 1.3474 1.6785 1.6785 1.8701 1.8701 2.0233 2.0233 2.4300 2.4300 2.5063 2.5063 2.6565 2.6565 2.6813 2.6813 2.9879 2.9879 2.9961 2.9961 3.5559 3.5559 3.5711 3.5711 3.6537 3.6537 3.8844 3.8844 4.0048 4.0048 4.0175 4.0175 4.0836 4.0836 4.2008 4.2008 4.2483 4.2483 4.4744 4.4744 4.8570 4.8570 4.8763 4.8763 4.9062 4.9062 4.9898 4.9898 5.2426 5.2426 5.8981 5.8981 5.9435 5.9435 7.2232 7.2232 7.5398 7.5398 7.6286 7.6286 7.8758 7.8758 7.9368 7.9368 11.0974 11.0974 11.1541 11.1541 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9460 -6.9460 -6.6916 -6.6916 -6.2321 -6.2321 -6.2313 -6.2313 1.3474 1.3474 1.6785 1.6785 1.8701 1.8701 2.0233 2.0233 2.4300 2.4300 2.5063 2.5063 2.6565 2.6565 2.6813 2.6813 2.9879 2.9879 2.9961 2.9961 3.5559 3.5559 3.5711 3.5711 3.6537 3.6537 3.8844 3.8844 4.0048 4.0048 4.0175 4.0175 4.0836 4.0836 4.2008 4.2008 4.2483 4.2483 4.4744 4.4744 4.8570 4.8570 4.8763 4.8763 4.9062 4.9062 4.9898 4.9898 5.2426 5.2426 5.8981 5.8981 5.9435 5.9435 7.2232 7.2232 7.5398 7.5398 7.6286 7.6286 7.8758 7.8758 7.9368 7.9368 11.0974 11.0974 11.1541 11.1541 k = 0.0172 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9455 -6.9455 -6.6913 -6.6913 -6.2326 -6.2325 -6.2317 -6.2316 1.3462 1.3495 1.6780 1.6786 1.8694 1.8700 2.0217 2.0253 2.4273 2.4327 2.5017 2.5100 2.6553 2.6578 2.6802 2.6824 2.9872 2.9874 2.9955 2.9963 3.5494 3.5564 3.5638 3.5735 3.6537 3.6588 3.8835 3.8852 3.9985 4.0053 4.0113 4.0289 4.0838 4.0867 4.1983 4.2019 4.2406 4.2617 4.4735 4.4769 4.8354 4.8660 4.8752 4.8802 4.9000 4.9193 4.9863 4.9946 5.2412 5.2462 5.8963 5.8979 5.9407 5.9445 7.2239 7.2248 7.5392 7.5406 7.6293 7.6298 7.8743 7.8770 7.9363 7.9370 11.0965 11.1018 11.1561 11.1598 k = 0.0345 0.5000-0.0000 ( 6516 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9440 -6.9440 -6.6904 -6.6904 -6.2340 -6.2339 -6.2328 -6.2327 1.3458 1.3523 1.6773 1.6784 1.8678 1.8691 2.0206 2.0278 2.4244 2.4353 2.4965 2.5130 2.6543 2.6592 2.6793 2.6837 2.9852 2.9863 2.9949 2.9958 3.5382 3.5507 3.5531 3.5702 3.6586 3.6679 3.8826 3.8856 3.9924 3.9944 4.0165 4.0393 4.0861 4.0940 4.1908 4.2054 4.2414 4.2774 4.4742 4.4808 4.8116 4.8591 4.8740 4.8743 4.9164 4.9306 4.9845 5.0016 5.2419 5.2518 5.8926 5.8957 5.9360 5.9435 7.2270 7.2287 7.5388 7.5417 7.6318 7.6330 7.8719 7.8781 7.9356 7.9375 11.0990 11.1095 11.1656 11.1731 k = 0.0517 0.5000-0.0000 ( 6520 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9416 -6.9415 -6.6889 -6.6888 -6.2365 -6.2364 -6.2344 -6.2343 1.3463 1.3560 1.6762 1.6778 1.8654 1.8673 2.0201 2.0309 2.4214 2.4376 2.4908 2.5152 2.6536 2.6603 2.6789 2.6850 2.9817 2.9846 2.9944 2.9944 3.5234 3.5382 3.5413 3.5621 3.6671 3.6793 3.8819 3.8854 3.9845 3.9870 4.0209 4.0480 4.0889 4.1051 4.1799 4.2133 4.2485 4.2934 4.4770 4.4863 4.7875 4.8431 4.8685 4.8728 4.9353 4.9381 4.9868 5.0117 5.2445 5.2592 5.8870 5.8916 5.9296 5.9406 7.2323 7.2349 7.5388 7.5430 7.6359 7.6382 7.8678 7.8786 7.9350 7.9390 11.1048 11.1205 11.1826 11.1939 k = 0.0690 0.5000-0.0000 ( 6524 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9382 -6.9380 -6.6867 -6.6867 -6.2400 -6.2399 -6.2365 -6.2365 1.3475 1.3604 1.6747 1.6769 1.8621 1.8647 2.0202 2.0345 2.4183 2.4394 2.4850 2.5166 2.6531 2.6609 2.6791 2.6864 2.9767 2.9824 2.9921 2.9939 3.5061 3.5219 3.5273 3.5503 3.6775 3.6920 3.8816 3.8847 3.9761 3.9825 4.0245 4.0555 4.0912 4.1190 4.1682 4.2264 4.2586 4.3082 4.4825 4.4938 4.7635 4.8239 4.8634 4.8706 4.9412 4.9460 4.9984 5.0253 5.2490 5.2683 5.8797 5.8858 5.9216 5.9361 7.2397 7.2434 7.5393 7.5446 7.6413 7.6454 7.8612 7.8780 7.9354 7.9424 11.1140 11.1347 11.2071 11.2220 k = 0.0862 0.5000-0.0000 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9338 -6.9336 -6.6840 -6.6839 -6.2446 -6.2444 -6.2393 -6.2393 1.3495 1.3654 1.6729 1.6757 1.8579 1.8612 2.0210 2.0388 2.4148 2.4404 2.4796 2.5175 2.6528 2.6608 2.6802 2.6880 2.9706 2.9797 2.9889 2.9933 3.4870 3.5025 3.5118 3.5359 3.6888 3.7052 3.8817 3.8833 3.9694 3.9789 4.0276 4.0622 4.0926 4.1342 4.1570 4.2438 4.2701 4.3206 4.4915 4.5035 4.7398 4.8035 4.8574 4.8677 4.9406 4.9474 5.0197 5.0418 5.2551 5.2787 5.8709 5.8785 5.9124 5.9300 7.2492 7.2539 7.5406 7.5469 7.6476 7.6544 7.8518 7.8753 7.9380 7.9479 11.1263 11.1519 11.2388 11.2572 k = 0.1034 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9285 -6.9283 -6.6807 -6.6806 -6.2502 -6.2499 -6.2426 -6.2426 1.3522 1.3712 1.6708 1.6741 1.8529 1.8569 2.0226 2.0439 2.4111 2.4396 2.4753 2.5179 2.6527 2.6601 2.6821 2.6898 2.9633 2.9763 2.9852 2.9925 3.4665 3.4807 3.4954 3.5197 3.7006 3.7184 3.8815 3.8824 3.9643 3.9763 4.0305 4.0686 4.0934 4.1468 4.1492 4.2644 4.2822 4.3296 4.5044 4.5157 4.7165 4.7823 4.8504 4.8643 4.9371 4.9443 5.0451 5.0602 5.2630 5.2903 5.8609 5.8700 5.9023 5.9229 7.2604 7.2663 7.5428 7.5498 7.6543 7.6648 7.8401 7.8707 7.9430 7.9554 11.1415 11.1719 11.2775 11.2994 k = 0.1207 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9222 -6.9220 -6.6768 -6.6767 -6.2568 -6.2564 -6.2465 -6.2464 1.3556 1.3774 1.6683 1.6722 1.8469 1.8517 2.0253 2.0499 2.4070 2.4364 2.4733 2.5179 2.6527 2.6589 2.6847 2.6919 2.9550 2.9718 2.9813 2.9916 3.4450 3.4571 3.4785 3.5024 3.7124 3.7315 3.8794 3.8835 3.9609 3.9746 4.0333 4.0749 4.0940 4.1378 4.1629 4.2869 4.2949 4.3349 4.5213 4.5305 4.6939 4.7609 4.8424 4.8602 4.9316 4.9395 5.0711 5.0794 5.2728 5.3029 5.8498 5.8605 5.8919 5.9152 7.2732 7.2803 7.5463 7.5537 7.6607 7.6763 7.8268 7.8649 7.9504 7.9645 11.1595 11.1945 11.3230 11.3482 k = 0.1379 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9151 -6.9148 -6.6723 -6.6722 -6.2643 -6.2639 -6.2510 -6.2509 1.3596 1.3841 1.6656 1.6701 1.8400 1.8457 2.0291 2.0569 2.4026 2.4307 2.4734 2.5179 2.6528 2.6575 2.6878 2.6944 2.9457 2.9658 2.9777 2.9904 3.4229 3.4326 3.4610 3.4844 3.7239 3.7440 3.8774 3.8852 3.9588 3.9737 4.0361 4.0810 4.0948 4.1300 4.1744 4.3080 4.3102 4.3366 4.5414 4.5477 4.6724 4.7393 4.8335 4.8557 4.9245 4.9339 5.0956 5.0984 5.2850 5.3165 5.8376 5.8499 5.8820 5.9077 7.2873 7.2958 7.5511 7.5586 7.6659 7.6879 7.8131 7.8591 7.9596 7.9747 11.1800 11.2193 11.3750 11.4032 k = 0.1552 0.5000-0.0000 ( 6552 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9070 -6.9067 -6.6673 -6.6672 -6.2728 -6.2723 -6.2560 -6.2558 1.3641 1.3913 1.6625 1.6676 1.8322 1.8389 2.0342 2.0650 2.3977 2.4232 2.4752 2.5177 2.6529 2.6561 2.6913 2.6973 2.9355 2.9583 2.9744 2.9890 3.4004 3.4077 3.4430 3.4657 3.7350 3.7560 3.8757 3.8873 3.9578 3.9736 4.0390 4.0869 4.0959 4.1237 4.1828 4.3220 4.3314 4.3376 4.5625 4.5671 4.6533 4.7178 4.8240 4.8505 4.9164 4.9279 5.1161 5.1167 5.3000 5.3310 5.8246 5.8380 5.8738 5.9012 7.3025 7.3125 7.5575 7.5649 7.6689 7.6980 7.8009 7.8550 7.9700 7.9858 11.2026 11.2460 11.4330 11.4642 k = 0.1724 0.5000-0.0000 ( 6552 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8981 -6.8977 -6.6617 -6.6616 -6.2821 -6.2815 -6.2615 -6.2614 1.3692 1.3987 1.6592 1.6648 1.8234 1.8312 2.0407 2.0744 2.3924 2.4146 2.4780 2.5177 2.6530 2.6547 2.6950 2.7004 2.9243 2.9494 2.9713 2.9875 3.3778 3.3828 3.4246 3.4467 3.7455 3.7673 3.8748 3.8897 3.9575 3.9743 4.0422 4.0924 4.0974 4.1189 4.1880 4.3304 4.3371 4.3579 4.5798 4.5879 4.6409 4.6969 4.8140 4.8448 4.9078 4.9217 5.1312 5.1328 5.3183 5.3465 5.8105 5.8243 5.8686 5.8966 7.3184 7.3299 7.5656 7.5727 7.6685 7.7034 7.7937 7.8539 7.9812 7.9974 11.2268 11.2741 11.4966 11.5306 k = 0.1897 0.5000-0.0000 ( 6556 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8883 -6.8879 -6.6557 -6.6556 -6.2923 -6.2917 -6.2675 -6.2674 1.3748 1.4063 1.6555 1.6617 1.8139 1.8228 2.0489 2.0851 2.3868 2.4055 2.4815 2.5178 2.6532 2.6536 2.6990 2.7039 2.9122 2.9392 2.9685 2.9859 3.3554 3.3584 3.4056 3.4274 3.7553 3.7779 3.8747 3.8925 3.9578 3.9757 4.0456 4.0969 4.0994 4.1160 4.1900 4.3247 4.3532 4.3802 4.5819 4.6082 4.6456 4.6779 4.8041 4.8384 4.8992 4.9154 5.1427 5.1429 5.3398 5.3633 5.7953 5.8091 5.8672 5.8951 7.3348 7.3478 7.5755 7.5823 7.6642 7.7009 7.7951 7.8568 7.9930 8.0093 11.2523 11.3031 11.5652 11.6018 k = 0.2069 0.5000-0.0000 ( 6564 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8777 -6.8773 -6.6492 -6.6490 -6.3033 -6.3026 -6.2740 -6.2738 1.3808 1.4141 1.6516 1.6584 1.8034 1.8136 2.0587 2.0972 2.3809 2.3960 2.4853 2.5181 2.6527 2.6536 2.7031 2.7076 2.8992 2.9279 2.9657 2.9841 3.3332 3.3346 3.3861 3.4077 3.7644 3.7878 3.8756 3.8955 3.9584 3.9777 4.0494 4.0998 4.1018 4.1156 4.1893 4.3175 4.3704 4.4015 4.5700 4.6221 4.6657 4.6658 4.7947 4.8312 4.8912 4.9093 5.1469 5.1495 5.3635 5.3811 5.7791 5.7926 5.8702 5.8974 7.3514 7.3658 7.5870 7.5937 7.6559 7.6908 7.8050 7.8638 8.0049 8.0212 11.2785 11.3323 11.6380 11.6770 k = 0.2241 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8664 -6.8659 -6.6422 -6.6420 -6.3151 -6.3144 -6.2809 -6.2808 1.3871 1.4221 1.6475 1.6549 1.7922 1.8036 2.0704 2.1108 2.3749 2.3866 2.4893 2.5187 2.6523 2.6541 2.7075 2.7116 2.8854 2.9154 2.9632 2.9823 3.3115 3.3117 3.3663 3.3879 3.7728 3.7971 3.8777 3.8987 3.9592 3.9801 4.0536 4.1009 4.1045 4.1177 4.1864 4.3091 4.3883 4.4214 4.5545 4.6175 4.6717 4.6906 4.7870 4.8233 4.8843 4.9033 5.1452 5.1512 5.3881 5.3997 5.7619 5.7751 5.8780 5.9041 7.3678 7.3835 7.5995 7.6072 7.6443 7.6769 7.8205 7.8744 8.0167 8.0328 11.3047 11.3611 11.7141 11.7553 k = 0.2414 0.5000-0.0000 ( 6562 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8543 -6.8538 -6.6348 -6.6346 -6.3276 -6.3269 -6.2883 -6.2881 1.3939 1.4300 1.6432 1.6511 1.7801 1.7930 2.0839 2.1258 2.3688 2.3773 2.4934 2.5194 2.6523 2.6549 2.7119 2.7157 2.8707 2.9017 2.9608 2.9804 3.2899 3.2904 3.3460 3.3679 3.7804 3.8057 3.8809 3.9021 3.9601 3.9827 4.0583 4.1014 4.1075 4.1210 4.1822 4.3000 4.4069 4.4388 4.5398 4.6014 4.6863 4.7154 4.7830 4.8152 4.8790 4.8975 5.1384 5.1478 5.4124 5.4185 5.7440 5.7571 5.8907 5.9153 7.3837 7.4004 7.6110 7.6224 7.6310 7.6640 7.8390 7.8879 8.0283 8.0440 11.3302 11.3887 11.7920 11.8351 k = 0.2586 0.5000-0.0000 ( 6562 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8416 -6.8410 -6.6270 -6.6269 -6.3408 -6.3401 -6.2960 -6.2958 1.4010 1.4380 1.6388 1.6473 1.7675 1.7818 2.0993 2.1424 2.3629 2.3684 2.4975 2.5203 2.6527 2.6558 2.7165 2.7198 2.8553 2.8869 2.9586 2.9785 3.2691 3.2700 3.3256 3.3478 3.7874 3.8138 3.8850 3.9056 3.9610 3.9853 4.0633 4.1021 4.1106 4.1242 4.1773 4.2904 4.4258 4.4519 4.5291 4.5829 4.6970 4.7371 4.7859 4.8082 4.8761 4.8921 5.1274 5.1394 5.4351 5.4369 5.7256 5.7387 5.9081 5.9311 7.3990 7.4163 7.6142 7.6146 7.6415 7.6606 7.8591 7.9034 8.0393 8.0546 11.3544 11.4142 11.8690 11.8780 k = 0.2759 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8282 -6.8276 -6.6189 -6.6188 -6.3547 -6.3539 -6.3041 -6.3039 1.4084 1.4460 1.6343 1.6433 1.7542 1.7700 2.1166 2.1604 2.3573 2.3599 2.5016 2.5213 2.6535 2.6570 2.7211 2.7239 2.8390 2.8709 2.9566 2.9766 3.2496 3.2504 3.3050 3.3277 3.7938 3.8213 3.8900 3.9093 3.9618 3.9875 4.0688 4.1032 4.1137 4.1267 4.1728 4.2807 4.4451 4.4571 4.5263 4.5643 4.7001 4.7510 4.7972 4.8056 4.8763 4.8872 5.1129 5.1266 5.4544 5.4557 5.7070 5.7202 5.9299 5.9509 7.4135 7.4310 7.5987 7.6045 7.6617 7.6722 7.8800 7.9202 8.0496 8.0644 11.3765 11.4367 11.8387 11.8891 k = 0.2931 0.5000-0.0000 ( 6554 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8142 -6.8136 -6.6105 -6.6104 -6.3691 -6.3683 -6.3125 -6.3122 1.4162 1.4540 1.6296 1.6392 1.7403 1.7578 2.1357 2.1796 2.3521 2.3523 2.5056 2.5224 2.6547 2.6583 2.7258 2.7277 2.8221 2.8538 2.9549 2.9747 3.2313 3.2317 3.2844 3.3078 3.7999 3.8285 3.8957 3.9131 3.9624 3.9892 4.0746 4.1045 4.1166 4.1279 4.1697 4.2710 4.4530 4.4644 4.5331 4.5462 4.6968 4.7530 4.8101 4.8144 4.8810 4.8832 5.0954 5.1101 5.4706 5.4739 5.6884 5.7018 5.9553 5.9740 7.4269 7.4443 7.5827 7.5895 7.6839 7.6914 7.9012 7.9376 8.0591 8.0733 11.3958 11.4554 11.7953 11.8427 k = 0.3103 0.5000-0.0000 ( 6556 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.7997 -6.7990 -6.6019 -6.6017 -6.3840 -6.3832 -6.3210 -6.3208 1.4244 1.4620 1.6250 1.6351 1.7261 1.7452 2.1565 2.1997 2.3449 2.3483 2.5094 2.5236 2.6563 2.6596 2.7304 2.7310 2.8049 2.8354 2.9534 2.9729 3.2140 3.2144 3.2641 3.2882 3.8059 3.8352 3.9017 3.9170 3.9629 3.9902 4.0806 4.1053 4.1192 4.1283 4.1685 4.2618 4.4433 4.4830 4.5298 4.5462 4.6904 4.7465 4.8171 4.8332 4.8811 4.8911 5.0756 5.0904 5.4853 5.4895 5.6700 5.6837 5.9832 5.9996 7.4394 7.4561 7.5671 7.5736 7.7078 7.7139 7.9221 7.9552 8.0674 8.0811 11.4117 11.4697 11.7498 11.7927 k = 0.3276 0.5000-0.0000 ( 6540 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.7847 -6.7841 -6.5931 -6.5929 -6.3994 -6.3985 -6.3298 -6.3296 1.4329 1.4701 1.6203 1.6310 1.7116 1.7324 2.1788 2.2203 2.3387 2.3457 2.5132 2.5247 2.6582 2.6607 2.7331 2.7351 2.7880 2.8159 2.9522 2.9711 3.1974 3.1989 3.2442 3.2691 3.8118 3.8416 3.9079 3.9210 3.9632 3.9903 4.0866 4.1045 4.1213 4.1290 4.1693 4.2532 4.4319 4.4949 4.5211 4.5618 4.6828 4.7366 4.8222 4.8481 4.8840 4.9059 5.0541 5.0683 5.4984 5.5029 5.6522 5.6661 6.0126 6.0267 7.4507 7.4665 7.5524 7.5582 7.7330 7.7382 7.9425 7.9725 8.0747 8.0876 11.4239 11.4792 11.7037 11.7420 k = 0.3448 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.7694 -6.7687 -6.5842 -6.5840 -6.4151 -6.4142 -6.3386 -6.3384 1.4418 1.4783 1.6157 1.6270 1.6970 1.7194 2.2021 2.2403 2.3337 2.3455 2.5167 2.5257 2.6602 2.6614 2.7323 2.7396 2.7733 2.7953 2.9513 2.9693 3.1819 3.1848 3.2251 3.2507 3.8176 3.8475 3.9141 3.9250 3.9634 3.9895 4.0925 4.1018 4.1229 4.1310 4.1716 4.2455 4.4203 4.4872 4.5330 4.5786 4.6751 4.7256 4.8251 4.8538 4.8959 4.9229 5.0316 5.0444 5.5100 5.5141 5.6352 5.6492 6.0425 6.0543 7.4610 7.4755 7.5389 7.5440 7.7590 7.7634 7.9620 7.9890 8.0806 8.0928 11.4323 11.4838 11.6585 11.6923 k = 0.3621 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.7539 -6.7532 -6.5753 -6.5752 -6.4310 -6.4301 -6.3475 -6.3473 1.4512 1.4865 1.6112 1.6230 1.6825 1.7065 2.2258 2.2581 2.3304 2.3492 2.5201 2.5264 2.6610 2.6621 2.7258 2.7438 2.7641 2.7737 2.9506 2.9676 3.1677 3.1721 3.2070 3.2331 3.8236 3.8529 3.9201 3.9289 3.9633 3.9878 4.0978 4.0980 4.1238 4.1340 4.1749 4.2390 4.4093 4.4729 4.5524 4.5956 4.6681 4.7148 4.8266 4.8533 4.9127 4.9398 5.0090 5.0198 5.5199 5.5234 5.6192 5.6332 6.0719 6.0816 7.4702 7.4832 7.5268 7.5311 7.7853 7.7889 7.9803 8.0043 8.0852 8.0966 11.4373 11.4841 11.6154 11.6449 k = 0.3793 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7742 -31.7742 -6.7382 -6.7375 -6.5666 -6.5664 -6.4470 -6.4461 -6.3562 -6.3560 1.4609 1.4948 1.6067 1.6189 1.6683 1.6937 2.2485 2.2718 2.3301 2.3589 2.5232 2.5270 2.6579 2.6635 2.7141 2.7469 2.7524 2.7613 2.9502 2.9659 3.1549 3.1609 3.1902 3.2165 3.8296 3.8578 3.9259 3.9329 3.9630 3.9851 4.0937 4.1025 4.1244 4.1373 4.1789 4.2336 4.3997 4.4583 4.5729 4.6123 4.6623 4.7049 4.8276 4.8507 4.9282 4.9532 4.9882 4.9972 5.5284 5.5310 5.6045 5.6184 6.0997 6.1075 7.4783 7.4896 7.5162 7.5197 7.8114 7.8143 7.9970 8.0181 8.0885 8.0989 11.4393 11.4808 11.5753 11.6006 k = 0.3966 0.5000-0.0000 ( 6534 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7742 -31.7742 -6.7226 -6.7219 -6.5581 -6.5580 -6.4628 -6.4620 -6.3646 -6.3644 1.4711 1.5032 1.6024 1.6146 1.6550 1.6813 2.2675 2.2801 2.3352 2.3753 2.5262 2.5272 2.6497 2.6636 2.7029 2.7287 2.7523 2.7617 2.9501 2.9643 3.1436 3.1510 3.1752 3.2012 3.8357 3.8621 3.9313 3.9367 3.9625 3.9817 4.0901 4.1054 4.1253 4.1405 4.1834 4.2294 4.3915 4.4442 4.5930 4.6279 4.6586 4.6969 4.8283 4.8475 4.9340 4.9509 4.9762 4.9882 5.5355 5.5369 5.5914 5.6051 6.1253 6.1314 7.4853 7.4944 7.5076 7.5100 7.8366 7.8389 8.0118 8.0300 8.0907 8.1000 11.4392 11.4749 11.5391 11.5605 k = 0.4138 0.5000-0.0000 ( 6532 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.7073 -6.7066 -6.5502 -6.5500 -6.4783 -6.4775 -6.3726 -6.3724 1.4816 1.5115 1.5980 1.6096 1.6434 1.6695 2.2796 2.2842 2.3488 2.3973 2.5268 2.5290 2.6346 2.6598 2.6961 2.7092 2.7558 2.7631 2.9502 2.9626 3.1339 3.1424 3.1626 3.1874 3.8417 3.8656 3.9362 3.9404 3.9618 3.9777 4.0874 4.1058 4.1274 4.1431 4.1882 4.2261 4.3851 4.4311 4.6109 4.6403 4.6588 4.6929 4.8290 4.8440 4.9220 4.9298 4.9809 4.9960 5.5410 5.5412 5.5804 5.5934 6.1480 6.1527 7.4912 7.4955 7.5020 7.5034 7.8605 7.8621 8.0243 8.0394 8.0920 8.0999 11.4377 11.4675 11.5075 11.5251 k = 0.4310 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6928 -6.6921 -6.5429 -6.5428 -6.4930 -6.4922 -6.3798 -6.3797 1.4923 1.5194 1.5936 1.6029 1.6346 1.6586 2.2849 2.2859 2.3703 2.4228 2.5257 2.5317 2.6145 2.6478 2.6931 2.6965 2.7589 2.7646 2.9506 2.9610 3.1261 3.1347 3.1528 3.1752 3.8476 3.8681 3.9408 3.9439 3.9609 3.9733 4.0859 4.1041 4.1306 4.1448 4.1933 4.2234 4.3806 4.4190 4.6230 4.6465 4.6661 4.6958 4.8296 4.8402 4.9028 4.9052 4.9920 5.0059 5.5439 5.5447 5.5721 5.5839 6.1673 6.1708 7.4914 7.4935 7.4981 7.5048 7.8822 7.8832 8.0342 8.0460 8.0930 8.0992 11.4357 11.4594 11.4812 11.4950 k = 0.4483 0.5000-0.0000 ( 6530 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6795 -6.6789 -6.5367 -6.5366 -6.5063 -6.5056 -6.3860 -6.3859 1.5033 1.5267 1.5892 1.5947 1.6293 1.6489 2.2865 2.2866 2.3962 2.4499 2.5233 2.5343 2.5923 2.6267 2.6917 2.6920 2.7616 2.7658 2.9513 2.9593 3.1201 3.1277 3.1463 3.1646 3.8532 3.8695 3.9449 3.9471 3.9598 3.9688 4.0855 4.1010 4.1341 4.1457 4.1983 4.2209 4.3783 4.4081 4.6285 4.6463 4.6810 4.7052 4.8298 4.8357 4.8817 4.8836 5.0029 5.0140 5.5449 5.5461 5.5671 5.5769 6.1827 6.1852 7.4873 7.4893 7.5013 7.5067 7.9008 7.9014 8.0413 8.0495 8.0939 8.0982 11.4339 11.4514 11.4608 11.4708 k = 0.4655 0.5000-0.0000 ( 6518 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6684 -6.6680 -6.5319 -6.5319 -6.5173 -6.5167 -6.3908 -6.3907 1.5140 1.5322 1.5847 1.5863 1.6271 1.6406 2.2866 2.2869 2.4237 2.4765 2.5191 2.5372 2.5713 2.6009 2.6906 2.6916 2.7638 2.7665 2.9523 2.9577 3.1162 3.1218 3.1431 3.1560 3.8583 3.8697 3.9487 3.9500 3.9585 3.9644 4.0862 4.0974 4.1376 4.1457 4.2032 4.2183 4.3782 4.3986 4.6311 4.6431 4.6989 4.7166 4.8286 4.8304 4.8624 4.8676 5.0118 5.0195 5.5447 5.5454 5.5656 5.5722 6.1941 6.1956 7.4843 7.4857 7.5044 7.5080 7.9155 7.9158 8.0455 8.0506 8.0950 8.0975 11.4329 11.4433 11.4474 11.4528 k = 0.4828 0.5000-0.0000 ( 6522 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6608 -6.6606 -6.5294 -6.5294 -6.5242 -6.5238 -6.3939 -6.3939 1.5238 1.5343 1.5802 1.5807 1.6274 1.6342 2.2866 2.2868 2.4509 2.4901 2.5217 2.5407 2.5554 2.5731 2.6907 2.6914 2.7654 2.7667 2.9534 2.9562 3.1145 3.1174 3.1428 3.1494 3.8627 3.8686 3.9523 3.9525 3.9570 3.9603 4.0880 4.0938 4.1406 4.1447 4.2077 4.2153 4.3803 4.3907 4.6332 4.6393 4.7151 4.7249 4.8245 4.8246 4.8521 4.8566 5.0181 5.0221 5.5439 5.5441 5.5661 5.5693 6.2011 6.2018 7.4827 7.4834 7.5066 7.5084 7.9251 7.9252 8.0477 8.0500 8.0960 8.0970 11.4331 11.4363 11.4408 11.4415 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6580 -6.6580 -6.5295 -6.5295 -6.5256 -6.5256 -6.3950 -6.3950 1.5313 1.5313 1.5785 1.5785 1.6298 1.6298 2.2866 2.2866 2.4754 2.4754 2.5448 2.5448 2.5462 2.5462 2.6910 2.6910 2.7663 2.7663 2.9547 2.9547 3.1148 3.1148 3.1449 3.1449 3.8662 3.8662 3.9543 3.9543 3.9567 3.9567 4.0905 4.0905 4.1430 4.1430 4.2117 4.2117 4.3845 4.3845 4.6359 4.6359 4.7250 4.7250 4.8216 4.8216 4.8513 4.8513 5.0216 5.0216 5.5435 5.5435 5.5674 5.5674 6.2037 6.2037 7.4824 7.4824 7.5080 7.5080 7.9284 7.9284 8.0490 8.0490 8.0966 8.0966 11.4339 11.4339 11.4378 11.4378 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6580 -6.6580 -6.5295 -6.5295 -6.5256 -6.5256 -6.3950 -6.3950 1.5313 1.5313 1.5785 1.5785 1.6298 1.6298 2.2866 2.2866 2.4754 2.4754 2.5448 2.5448 2.5462 2.5462 2.6910 2.6910 2.7663 2.7663 2.9547 2.9547 3.1148 3.1148 3.1449 3.1449 3.8662 3.8662 3.9543 3.9543 3.9567 3.9567 4.0905 4.0905 4.1430 4.1430 4.2117 4.2117 4.3845 4.3845 4.6359 4.6359 4.7250 4.7250 4.8216 4.8216 4.8513 4.8513 5.0216 5.0216 5.5435 5.5435 5.5674 5.5674 6.2037 6.2037 7.4824 7.4824 7.5080 7.5080 7.9284 7.9284 8.0490 8.0490 8.0966 8.0966 11.4339 11.4339 11.4378 11.4378 k = 0.4875 0.4875-0.0000 ( 6524 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6610 -6.6607 -6.5286 -6.5286 -6.5249 -6.5245 -6.3939 -6.3938 1.5236 1.5343 1.5794 1.5816 1.6273 1.6345 2.2866 2.2868 2.4500 2.4903 2.5209 2.5426 2.5540 2.5740 2.6907 2.6914 2.7654 2.7667 2.9534 2.9562 3.1145 3.1174 3.1427 3.1496 3.8626 3.8686 3.9513 3.9541 3.9562 3.9605 4.0879 4.0939 4.1405 4.1448 4.2076 4.2154 4.3802 4.3909 4.6331 4.6395 4.7147 4.7249 4.8243 4.8249 4.8523 4.8568 5.0180 5.0220 5.5440 5.5441 5.5660 5.5693 6.2010 6.2017 7.4827 7.4834 7.5066 7.5084 7.9249 7.9250 8.0476 8.0500 8.0961 8.0970 11.4302 11.4339 11.4419 11.4461 k = 0.4750 0.4750-0.0000 ( 6520 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6693 -6.6688 -6.5267 -6.5266 -6.5220 -6.5213 -6.3906 -6.3905 1.5139 1.5322 1.5808 1.5887 1.6274 1.6423 2.2867 2.2867 2.4210 2.4743 2.5202 2.5420 2.5686 2.6026 2.6902 2.6917 2.7639 2.7665 2.9521 2.9579 3.1163 3.1218 3.1430 3.1569 3.8580 3.8698 3.9470 3.9533 3.9567 3.9648 4.0858 4.0979 4.1374 4.1457 4.2029 4.2184 4.3780 4.3992 4.6304 4.6439 4.6974 4.7172 4.8271 4.8308 4.8637 4.8687 5.0114 5.0193 5.5455 5.5455 5.5652 5.5718 6.1937 6.1952 7.4844 7.4859 7.5043 7.5080 7.9150 7.9152 8.0446 8.0502 8.0963 8.0973 11.4186 11.4271 11.4614 11.4713 k = 0.4625 0.4625-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6819 -6.6814 -6.5243 -6.5242 -6.5171 -6.5162 -6.3853 -6.3852 1.5037 1.5269 1.5803 1.5948 1.6328 1.6537 2.2858 2.2870 2.3902 2.4458 2.5273 2.5433 2.5882 2.6302 2.6896 2.6919 2.7621 2.7658 2.9510 2.9598 3.1199 3.1274 3.1460 3.1668 3.8525 3.8696 3.9426 3.9524 3.9570 3.9687 4.0844 4.1023 4.1339 4.1459 4.1976 4.2209 4.3780 4.4092 4.6265 4.6484 4.6780 4.7075 4.8264 4.8353 4.8842 4.8866 5.0021 5.0136 5.5474 5.5478 5.5651 5.5751 6.1821 6.1845 7.4871 7.4897 7.5013 7.5065 7.8999 7.9002 8.0379 8.0475 8.0986 8.0989 11.4009 11.4136 11.4957 11.5111 k = 0.4500 0.4500-0.0000 ( 6542 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6979 -6.6973 -6.5213 -6.5211 -6.5110 -6.5100 -6.3784 -6.3782 1.4936 1.5204 1.5772 1.5954 1.6461 1.6689 2.2829 2.2864 2.3596 2.4176 2.5336 2.5460 2.6094 2.6562 2.6890 2.6922 2.7606 2.7650 2.9501 2.9619 3.1244 3.1337 3.1524 3.1796 3.8464 3.8681 3.9380 3.9516 3.9572 3.9725 4.0834 4.1064 4.1305 4.1453 4.1919 4.2228 4.3801 4.4208 4.6202 4.6446 4.6673 4.7002 4.8239 4.8382 4.9079 4.9089 4.9909 5.0054 5.5495 5.5504 5.5660 5.5789 6.1665 6.1699 7.4900 7.4948 7.4986 7.5043 7.8808 7.8812 8.0267 8.0407 8.1024 8.1032 11.3778 11.3943 11.5433 11.5644 k = 0.4375 0.4375-0.0000 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.7164 -6.7157 -6.5176 -6.5173 -6.5044 -6.5033 -6.3702 -6.3699 1.4839 1.5132 1.5716 1.5913 1.6655 1.6872 2.2758 2.2816 2.3332 2.3937 2.5397 2.5499 2.6301 2.6803 2.6884 2.6924 2.7600 2.7647 2.9493 2.9643 3.1293 3.1407 3.1624 3.1949 3.8400 3.8655 3.9334 3.9510 3.9574 3.9759 4.0828 4.1092 4.1286 4.1442 4.1859 4.2242 4.3842 4.4338 4.6102 4.6260 4.6728 4.6976 4.8206 4.8399 4.9288 4.9342 4.9800 4.9959 5.5518 5.5528 5.5679 5.5831 6.1478 6.1523 7.4887 7.4996 7.5006 7.5029 7.8588 7.8593 8.0115 8.0297 8.1077 8.1093 11.3497 11.3694 11.6025 11.6299 k = 0.4250 0.4250-0.0000 ( 6532 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7742 -31.7742 -6.7366 -6.7360 -6.5132 -6.5127 -6.4974 -6.4963 -6.3612 -6.3607 1.4742 1.5057 1.5638 1.5843 1.6885 1.7082 2.2615 2.2638 2.3203 2.3776 2.5463 2.5549 2.6488 2.6878 2.6927 2.7013 2.7611 2.7665 2.9488 2.9671 3.1342 3.1480 3.1756 3.2122 3.8335 3.8619 3.9284 3.9506 3.9573 3.9789 4.0825 4.1088 4.1297 4.1424 4.1794 4.2252 4.3903 4.4479 4.5972 4.6045 4.6829 4.6999 4.8168 4.8411 4.9391 4.9538 4.9788 4.9907 5.5544 5.5550 5.5706 5.5869 6.1265 6.1323 7.4835 7.4964 7.5070 7.5099 7.8348 7.8353 7.9932 8.0156 8.1139 8.1161 11.3169 11.3396 11.6712 11.7057 k = 0.4125 0.4125-0.0000 ( 6548 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7742 -31.7742 -6.7584 -6.7577 -6.5080 -6.5074 -6.4901 -6.4890 -6.3515 -6.3510 1.4646 1.4977 1.5540 1.5751 1.7140 1.7314 2.2341 2.2391 2.3205 2.3708 2.5535 2.5608 2.6641 2.6876 2.6931 2.7172 2.7650 2.7727 2.9484 2.9702 3.1395 3.1557 3.1913 3.2312 3.8268 3.8573 3.9231 3.9502 3.9572 3.9816 4.0822 4.1055 4.1336 4.1402 4.1727 4.2259 4.3982 4.4628 4.5821 4.5829 4.6949 4.7059 4.8126 4.8417 4.9295 4.9525 4.9961 5.0043 5.5573 5.5575 5.5731 5.5895 6.1037 6.1111 7.4769 7.4916 7.5153 7.5192 7.8092 7.8099 7.9728 7.9991 8.1204 8.1231 11.2798 11.3049 11.7465 11.7894 k = 0.4000 0.4000-0.0000 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.7811 -6.7805 -6.5021 -6.5014 -6.4827 -6.4816 -6.3416 -6.3410 1.4547 1.4890 1.5425 1.5641 1.7415 1.7565 2.1999 2.2105 2.3269 2.3717 2.5614 2.5674 2.6746 2.6881 2.6935 2.7263 2.7732 2.7853 2.9484 2.9738 3.1453 3.1638 3.2091 3.2515 3.8205 3.8519 3.9174 3.9500 3.9571 3.9839 4.0820 4.1010 4.1376 4.1383 4.1660 4.2263 4.4077 4.4782 4.5618 4.5661 4.7082 4.7148 4.8080 4.8418 4.9123 4.9384 5.0198 5.0289 5.5601 5.5615 5.5745 5.5903 6.0804 6.0897 7.4695 7.4861 7.5249 7.5297 7.7829 7.7837 7.9509 7.9812 8.1269 8.1299 11.2385 11.2658 11.8226 11.8773 k = 0.3875 0.3875-0.0000 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8047 -6.8041 -6.4955 -6.4947 -6.4750 -6.4739 -6.3317 -6.3311 1.4443 1.4793 1.5292 1.5514 1.7706 1.7830 2.1645 2.1787 2.3369 2.3782 2.5698 2.5747 2.6796 2.6897 2.6941 2.7302 2.7858 2.8030 2.9488 2.9779 3.1517 3.1723 3.2283 3.2725 3.8144 3.8459 3.9112 3.9498 3.9569 3.9859 4.0817 4.0962 4.1349 4.1423 4.1599 4.2266 4.4186 4.4939 4.5416 4.5497 4.7224 4.7258 4.8030 4.8411 4.8933 4.9207 5.0444 5.0549 5.5629 5.5661 5.5750 5.5887 6.0580 6.0693 7.4615 7.4800 7.5356 7.5414 7.7561 7.7571 7.9283 7.9625 8.1330 8.1363 11.1931 11.2222 11.8588 11.8741 k = 0.3750 0.3750-0.0000 ( 6540 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8289 -6.8283 -6.4883 -6.4874 -6.4670 -6.4660 -6.3221 -6.3213 1.4330 1.4685 1.5144 1.5370 1.8009 1.8105 2.1290 2.1457 2.3499 2.3888 2.5787 2.5823 2.6816 2.6911 2.6947 2.7319 2.8024 2.8235 2.9496 2.9824 3.1585 3.1811 3.2485 3.2941 3.8087 3.8394 3.9046 3.9497 3.9567 3.9876 4.0809 4.0914 4.1321 4.1425 4.1573 4.2267 4.4306 4.5087 4.5231 4.5335 4.7370 4.7382 4.7975 4.8383 4.8751 4.9016 5.0687 5.0804 5.5614 5.5691 5.5780 5.5865 6.0375 6.0512 7.4532 7.4734 7.5473 7.5542 7.7292 7.7306 7.9054 7.9436 8.1385 8.1421 11.1438 11.1742 11.8117 11.8165 k = 0.3625 0.3625-0.0000 ( 6542 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8535 -6.8530 -6.4804 -6.4794 -6.4587 -6.4577 -6.3127 -6.3119 1.4208 1.4563 1.4981 1.5209 1.8318 1.8383 2.0943 2.1131 2.3658 2.4027 2.5877 2.5900 2.6829 2.6914 2.6953 2.7333 2.8216 2.8451 2.9510 2.9875 3.1659 3.1902 3.2693 3.3160 3.8034 3.8325 3.8977 3.9495 3.9565 3.9892 4.0795 4.0870 4.1294 4.1371 4.1599 4.2268 4.4434 4.5016 4.5175 4.5273 4.7511 4.7517 4.7914 4.8298 4.8623 4.8820 5.0922 5.1048 5.5531 5.5634 5.5860 5.5907 6.0201 6.0361 7.4447 7.4666 7.5599 7.5678 7.7027 7.7046 7.8829 7.9250 8.1434 8.1473 11.0904 11.1219 11.7549 11.7588 k = 0.3500 0.3500-0.0000 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7742 -31.7742 -6.8783 -6.8779 -6.4719 -6.4708 -6.4501 -6.4491 -6.3039 -6.3030 1.4073 1.4425 1.4803 1.5032 1.8623 1.8650 2.0615 2.0827 2.3846 2.4195 2.5964 2.5974 2.6841 2.6917 2.6959 2.7356 2.8425 2.8673 2.9531 2.9933 3.1737 3.1995 3.2905 3.3379 3.7986 3.8253 3.8906 3.9493 3.9563 3.9906 4.0772 4.0831 4.1272 4.1292 4.1644 4.2271 4.4566 4.4841 4.5022 4.5428 4.7633 4.7654 4.7842 4.8138 4.8580 4.8628 5.1150 5.1280 5.5389 5.5488 5.5976 5.6013 6.0064 6.0248 7.4363 7.4596 7.5731 7.5817 7.6767 7.6797 7.8611 7.9073 8.1474 8.1515 11.0332 11.0651 11.6978 11.7021 k = 0.3375 0.3375-0.0000 ( 6540 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9033 -6.9029 -6.4628 -6.4617 -6.4412 -6.4402 -6.2956 -6.2947 1.3925 1.4271 1.4612 1.4840 1.8878 1.8898 2.0331 2.0572 2.4061 2.4389 2.6042 2.6042 2.6843 2.6941 2.6962 2.7397 2.8645 2.8895 2.9561 2.9999 3.1820 3.2091 3.3119 3.3596 3.7941 3.8178 3.8835 3.9489 3.9560 3.9919 4.0737 4.0798 4.1205 4.1257 4.1693 4.2273 4.4670 4.4689 4.4885 4.5583 4.7686 4.7726 4.7816 4.7989 4.8451 4.8587 5.1374 5.1502 5.5196 5.5284 5.6123 5.6155 5.9969 6.0174 7.4282 7.4528 7.5865 7.5947 7.6514 7.6571 7.8405 7.8908 8.1505 8.1549 10.9720 11.0040 11.6421 11.6469 k = 0.3250 0.3250-0.0000 ( 6540 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9283 -6.9279 -6.4533 -6.4521 -6.4320 -6.4310 -6.2878 -6.2869 1.3764 1.4101 1.4409 1.4634 1.9014 1.9076 2.0158 2.0423 2.4303 2.4607 2.6099 2.6106 2.6829 2.6962 2.7001 2.7461 2.8869 2.9111 2.9608 3.0074 3.1907 3.2189 3.3331 3.3809 3.7899 3.8101 3.8766 3.9485 3.9555 3.9932 4.0689 4.0773 4.1112 4.1252 4.1744 4.2278 4.4508 4.4685 4.4881 4.5737 4.7561 4.7614 4.7940 4.7976 4.8301 4.8618 5.1596 5.1718 5.4957 5.5037 5.6298 5.6323 5.9913 6.0136 7.4206 7.4462 7.5995 7.6019 7.6274 7.6414 7.8215 7.8760 8.1526 8.1573 10.9071 10.9386 11.5886 11.5937 k = 0.3125 0.3125-0.0000 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9532 -6.9529 -6.4433 -6.4421 -6.4225 -6.4215 -6.2807 -6.2797 1.3588 1.3915 1.4193 1.4414 1.8992 1.9051 2.0202 2.0444 2.4569 2.4845 2.6143 2.6152 2.6809 2.6958 2.7094 2.7551 2.9093 2.9307 2.9685 3.0163 3.1998 3.2289 3.3541 3.4017 3.7858 3.8022 3.8704 3.9479 3.9546 3.9944 4.0628 4.0755 4.1017 4.1255 4.1795 4.2284 4.4353 4.4557 4.5005 4.5887 4.7341 4.7457 4.8024 4.8060 4.8191 4.8666 5.1825 5.1934 5.4682 5.4755 5.6498 5.6516 5.9892 6.0129 7.4137 7.4401 7.5932 7.6015 7.6149 7.6423 7.8048 7.8634 8.1537 8.1586 10.8383 10.8691 11.5377 11.5429 k = 0.3000 0.3000-0.0000 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9779 -6.9776 -6.4329 -6.4317 -6.4127 -6.4118 -6.2742 -6.2732 1.3399 1.3713 1.3968 1.4182 1.8824 1.8850 2.0432 2.0622 2.4854 2.5098 2.6174 2.6180 2.6790 2.6954 2.7216 2.7668 2.9310 2.9456 2.9821 3.0269 3.2093 3.2390 3.3745 3.4219 3.7817 3.7943 3.8651 3.9472 3.9533 3.9957 4.0558 4.0744 4.0922 4.1267 4.1847 4.2292 4.4208 4.4422 4.5138 4.6034 4.7098 4.7268 4.8064 4.8093 4.8187 4.8723 5.2067 5.2159 5.4378 5.4449 5.6719 5.6727 5.9899 6.0147 7.4077 7.4347 7.5750 7.5804 7.6255 7.6525 7.7912 7.8535 8.1537 8.1588 10.7661 10.7956 11.4896 11.4947 k = 0.2875 0.2875-0.0000 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -7.0022 -7.0020 -6.4222 -6.4209 -6.4027 -6.4018 -6.2683 -6.2674 1.3197 1.3498 1.3733 1.3939 1.8578 1.8580 2.0742 2.0888 2.5154 2.5358 2.6192 2.6195 2.6777 2.6951 2.7363 2.7808 2.9512 2.9553 3.0020 3.0401 3.2191 3.2493 3.3943 3.4412 3.7772 3.7864 3.8612 3.9463 3.9514 3.9970 4.0482 4.0740 4.0830 4.1286 4.1899 4.2301 4.4072 4.4288 4.5268 4.6176 4.6851 4.7059 4.8045 4.8088 4.8270 4.8778 5.2328 5.2399 5.4056 5.4129 5.6954 5.6957 5.9927 6.0181 7.4028 7.4301 7.5554 7.5594 7.6353 7.6625 7.7822 7.8469 8.1526 8.1579 10.6904 10.7184 11.4445 11.4491 k = 0.2750 0.2750-0.0000 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -7.0262 -7.0260 -6.4113 -6.4099 -6.3926 -6.3917 -6.2631 -6.2621 1.2985 1.3271 1.3489 1.3687 1.8287 1.8299 2.1081 2.1195 2.5458 2.5612 2.6199 2.6203 2.6779 2.6957 2.7529 2.7968 2.9624 2.9693 3.0256 3.0565 3.2293 3.2598 3.4133 3.4595 3.7720 3.7784 3.8592 3.9450 3.9483 3.9981 4.0404 4.0731 4.0758 4.1310 4.1952 4.2311 4.3943 4.4158 4.5391 4.6306 4.6612 4.6842 4.8011 4.8097 4.8336 4.8824 5.2610 5.2662 5.3723 5.3804 5.7192 5.7206 5.9969 6.0227 7.3991 7.4264 7.5362 7.5394 7.6428 7.6687 7.7794 7.8441 8.1504 8.1559 10.6115 10.6379 11.4023 11.4062 k = 0.2625 0.2625-0.0000 ( 6556 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.0497 -7.0495 -6.4001 -6.3987 -6.3823 -6.3814 -6.2585 -6.2575 1.2765 1.3034 1.3240 1.3428 1.7991 1.8009 2.1431 2.1520 2.5752 2.5836 2.6198 2.6212 2.6813 2.6982 2.7711 2.8145 2.9689 2.9846 3.0511 3.0766 3.2400 3.2704 3.4313 3.4768 3.7660 3.7704 3.8595 3.9429 3.9436 3.9993 4.0333 4.0668 4.0759 4.1339 4.2007 4.2323 4.3825 4.4033 4.5502 4.6303 4.6504 4.6630 4.7992 4.8095 4.8380 4.8859 5.2900 5.2948 5.3388 5.3497 5.7437 5.7461 6.0020 6.0278 7.3966 7.4237 7.5179 7.5206 7.6475 7.6696 7.7837 7.8454 8.1471 8.1529 10.5298 10.5542 11.3629 11.3658 k = 0.2500 0.2500-0.0000 ( 6568 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.0726 -7.0724 -6.3887 -6.3874 -6.3720 -6.3711 -6.2544 -6.2534 1.2538 1.2790 1.2985 1.3164 1.7696 1.7717 2.1782 2.1852 2.5987 2.6011 2.6192 2.6235 2.6904 2.7046 2.7906 2.8335 2.9753 2.9975 3.0777 3.0999 3.2511 3.2812 3.4482 3.4927 3.7590 3.7625 3.8622 3.9370 3.9395 4.0005 4.0272 4.0614 4.0776 4.1370 4.2063 4.2336 4.3716 4.3910 4.5586 4.6080 4.6439 4.6616 4.7984 4.8082 4.8401 4.8882 5.3008 5.3033 5.3285 5.3402 5.7684 5.7719 6.0075 6.0331 7.3954 7.4220 7.5006 7.5030 7.6494 7.6661 7.7941 7.8506 8.1428 8.1488 10.4453 10.4678 11.3262 11.3280 k = 0.2375 0.2375-0.0000 ( 6548 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.0948 -7.0947 -6.3773 -6.3760 -6.3616 -6.3608 -6.2509 -6.2499 1.2306 1.2542 1.2727 1.2897 1.7406 1.7428 2.2131 2.2185 2.6047 2.6157 2.6228 2.6269 2.7074 2.7175 2.8109 2.8533 2.9820 3.0084 3.1053 3.1261 3.2629 3.2922 3.4640 3.5073 3.7513 3.7547 3.8673 3.9283 3.9342 4.0023 4.0227 4.0584 4.0800 4.1404 4.2120 4.2350 4.3616 4.3793 4.5612 4.5842 4.6305 4.6747 4.7988 4.8061 4.8402 4.8899 5.2710 5.2750 5.3625 5.3707 5.7930 5.7975 6.0130 6.0383 7.3953 7.4212 7.4844 7.4866 7.6490 7.6603 7.8084 7.8590 8.1376 8.1439 10.3584 10.3790 11.2919 11.2925 k = 0.2250 0.2250-0.0000 ( 6564 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.1164 -7.1163 -6.3659 -6.3646 -6.3513 -6.3505 -6.2479 -6.2469 1.2072 1.2291 1.2467 1.2628 1.7123 1.7144 2.2473 2.2514 2.6056 2.6149 2.6286 2.6331 2.7306 2.7381 2.8319 2.8737 2.9891 3.0178 3.1334 3.1541 3.2752 3.3034 3.4784 3.5204 3.7428 3.7469 3.8742 3.9177 3.9263 4.0051 4.0200 4.0576 4.0829 4.1438 4.2177 4.2364 4.3527 4.3679 4.5543 4.5606 4.6269 4.6880 4.7999 4.8031 4.8388 4.8910 5.2387 5.2445 5.3998 5.4090 5.8171 5.8226 6.0182 6.0429 7.3962 7.4211 7.4694 7.4715 7.6472 7.6539 7.8246 7.8699 8.1316 8.1381 10.2693 10.2880 11.2592 11.2600 k = 0.2125 0.2125-0.0000 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.1371 -7.1370 -6.3546 -6.3532 -6.3411 -6.3403 -6.2453 -6.2444 1.1839 1.2041 1.2207 1.2359 1.6849 1.6867 2.2807 2.2836 2.6047 2.6129 2.6282 2.6379 2.7570 2.7642 2.8534 2.8944 2.9967 3.0264 3.1620 3.1835 3.2883 3.3149 3.4915 3.5319 3.7338 3.7393 3.8814 3.9071 3.9158 4.0094 4.0190 4.0591 4.0864 4.1471 4.2235 4.2379 4.3448 4.3569 4.5375 4.5391 4.6321 4.7014 4.7992 4.8018 4.8363 4.8922 5.2075 5.2143 5.4397 5.4504 5.8406 5.8468 6.0229 6.0469 7.3979 7.4214 7.4556 7.4575 7.6450 7.6484 7.8416 7.8822 8.1250 8.1317 10.1782 10.1951 11.2281 11.2303 k = 0.2000 0.2000-0.0000 ( 6565 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7743 -31.7743 -31.7742 -31.7742 -7.1570 -7.1570 -6.3434 -6.3421 -6.3310 -6.3302 -6.2432 -6.2423 1.1608 1.1793 1.1949 1.2092 1.6583 1.6599 2.3129 2.3149 2.6031 2.6105 2.6265 2.6391 2.7843 2.7926 2.8751 2.9150 3.0047 3.0342 3.1908 3.2136 3.3024 3.3267 3.5033 3.5419 3.7244 3.7316 3.8796 3.9029 3.9057 4.0152 4.0195 4.0626 4.0904 4.1502 4.2291 4.2393 4.3379 4.3464 4.5152 4.5200 4.6419 4.7148 4.7946 4.8042 4.8334 4.8936 5.1774 5.1850 5.4816 5.4937 5.8631 5.8699 6.0269 6.0501 7.3999 7.4217 7.4429 7.4447 7.6434 7.6449 7.8584 7.8952 8.1180 8.1249 10.0855 10.1006 11.1989 11.2027 k = 0.1875 0.1875-0.0000 ( 6573 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1760 -7.1760 -6.3324 -6.3311 -6.3212 -6.3204 -6.2415 -6.2406 1.1381 1.1550 1.1696 1.1829 1.6327 1.6342 2.3438 2.3451 2.6012 2.6080 2.6241 2.6382 2.8113 2.8212 2.8969 2.9352 3.0133 3.0414 3.2195 3.2440 3.3175 3.3389 3.5138 3.5504 3.7148 3.7241 3.8660 3.8881 3.9166 4.0213 4.0223 4.0678 4.0950 4.1530 4.2345 4.2408 4.3321 4.3364 4.4936 4.4995 4.6540 4.7282 4.7893 4.8064 4.8309 4.8956 5.1487 5.1570 5.5251 5.5384 5.8844 5.8916 6.0302 6.0523 7.4019 7.4215 7.4313 7.4331 7.6434 7.6442 7.8745 7.9080 8.1108 8.1177 9.9913 10.0049 11.1716 11.1770 k = 0.1750 0.1750-0.0000 ( 6581 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.1941 -7.1940 -6.3217 -6.3204 -6.3116 -6.3109 -6.2401 -6.2392 1.1160 1.1314 1.1447 1.1572 1.6082 1.6094 2.3733 2.3739 2.5991 2.6055 2.6214 2.6363 2.8372 2.8486 2.9186 2.9549 3.0224 3.0483 3.2479 3.2743 3.3339 3.3515 3.5231 3.5574 3.7052 3.7166 3.8489 3.8717 3.9314 4.0242 4.0303 4.0745 4.0999 4.1554 4.2396 4.2424 4.3269 4.3273 4.4729 4.4787 4.6672 4.7417 4.7837 4.8078 4.8301 4.8982 5.1215 5.1304 5.5698 5.5840 5.9045 5.9119 6.0327 6.0536 7.4031 7.4196 7.4217 7.4228 7.6460 7.6470 7.8894 7.9202 8.1036 8.1106 9.8961 9.9082 11.1461 11.1531 k = 0.1625 0.1625-0.0000 ( 6581 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2111 -7.2110 -6.3113 -6.3101 -6.3024 -6.3017 -6.2390 -6.2382 1.0948 1.1087 1.1207 1.1323 1.5849 1.5859 2.4012 2.4012 2.5971 2.6029 2.6186 2.6337 2.8616 2.8740 2.9401 2.9739 3.0319 3.0548 3.2755 3.3041 3.3516 3.3646 3.5313 3.5631 3.6955 3.7091 3.8306 3.8542 3.9481 4.0282 4.0388 4.0828 4.1053 4.1572 4.2442 4.2442 4.3180 4.3235 4.4530 4.4582 4.6810 4.7552 4.7777 4.8077 4.8319 4.9014 5.0958 5.1052 5.6152 5.6300 5.9230 5.9304 6.0343 6.0539 7.4029 7.4110 7.4141 7.4187 7.6520 7.6539 7.9028 7.9311 8.0966 8.1036 9.8002 9.8108 11.1224 11.1308 k = 0.1500 0.1500-0.0000 ( 6581 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2270 -7.2270 -6.3014 -6.3003 -6.2935 -6.2929 -6.2382 -6.2374 1.0746 1.0870 1.0976 1.1083 1.5628 1.5636 2.4269 2.4273 2.5952 2.6005 2.6159 2.6309 2.8842 2.8969 2.9611 2.9921 3.0419 3.0611 3.3022 3.3328 3.3705 3.3783 3.5385 3.5676 3.6858 3.7016 3.8114 3.8357 3.9659 4.0330 4.0473 4.0924 4.1110 4.1583 4.2461 4.2482 4.3098 4.3205 4.4340 4.4382 4.6949 4.7687 4.7718 4.8068 4.8361 4.9053 5.0719 5.0816 5.6609 5.6759 5.9400 5.9471 6.0352 6.0533 7.3998 7.4025 7.4078 7.4152 7.6618 7.6651 7.9147 7.9406 8.0902 8.0969 9.7040 9.7133 11.1002 11.1101 k = 0.1375 0.1375-0.0000 ( 6575 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7741 -31.7741 -7.2418 -7.2418 -6.2919 -6.2909 -6.2852 -6.2845 -6.2376 -6.2368 1.0555 1.0666 1.0756 1.0855 1.5421 1.5427 2.4508 2.4515 2.5933 2.5982 2.6132 2.6278 2.9048 2.9171 2.9814 3.0094 3.0519 3.0670 3.3279 3.3602 3.3907 3.3928 3.5447 3.5711 3.6763 3.6941 3.7917 3.8167 3.9845 4.0387 4.0557 4.1031 4.1170 4.1587 4.2483 4.2514 4.3025 4.3183 4.4159 4.4189 4.7081 4.7658 4.7822 4.8065 4.8420 4.9098 5.0497 5.0597 5.7063 5.7213 5.9552 5.9619 6.0353 6.0518 7.3941 7.3950 7.4038 7.4106 7.6758 7.6804 7.9249 7.9485 8.0844 8.0908 9.6080 9.6160 11.0797 11.0909 k = 0.1250 0.1250-0.0000 ( 6575 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2555 -7.2555 -6.2831 -6.2821 -6.2773 -6.2767 -6.2371 -6.2365 1.0376 1.0475 1.0549 1.0639 1.5228 1.5233 2.4728 2.4736 2.5917 2.5961 2.6108 2.6247 2.9233 2.9346 3.0008 3.0258 3.0618 3.0728 3.3526 3.3855 3.4083 3.4115 3.5502 3.5738 3.6669 3.6864 3.7718 3.7971 4.0032 4.0451 4.0636 4.1143 4.1233 4.1584 4.2508 4.2536 4.2962 4.3166 4.3987 4.4005 4.7195 4.7601 4.7953 4.8081 4.8491 4.9148 5.0294 5.0396 5.7508 5.7656 5.9688 5.9747 6.0349 6.0495 7.3879 7.3883 7.3997 7.4049 7.6937 7.6995 7.9338 7.9549 8.0795 8.0853 9.5127 9.5195 11.0609 11.0730 k = 0.1125 0.1125-0.0000 ( 6579 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7742 -31.7742 -31.7741 -31.7741 -7.2680 -7.2680 -6.2748 -6.2740 -6.2700 -6.2694 -6.2369 -6.2363 1.0212 1.0298 1.0357 1.0438 1.5051 1.5054 2.4927 2.4936 2.5903 2.5943 2.6085 2.6217 2.9398 2.9494 3.0190 3.0412 3.0712 3.0782 3.3767 3.4082 3.4253 3.4326 3.5549 3.5757 3.6576 3.6785 3.7518 3.7771 4.0218 4.0524 4.0712 4.1251 4.1300 4.1575 4.2535 4.2548 4.2908 4.3152 4.3824 4.3832 4.7282 4.7548 4.8077 4.8124 4.8571 4.9202 5.0112 5.0215 5.7940 5.8082 5.9805 5.9855 6.0340 6.0467 7.3823 7.3824 7.3949 7.3986 7.7150 7.7216 7.9417 7.9603 8.0753 8.0804 9.4189 9.4246 11.0437 11.0565 k = 0.1000 0.1000-0.0000 ( 6555 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2793 -7.2792 -6.2673 -6.2666 -6.2633 -6.2627 -6.2367 -6.2361 1.0062 1.0137 1.0181 1.0253 1.4889 1.4892 2.5104 2.5112 2.5894 2.5931 2.6066 2.6188 2.9542 2.9618 3.0361 3.0555 3.0800 3.0834 3.4003 3.4279 3.4441 3.4535 3.5591 3.5772 3.6484 3.6705 3.7318 3.7568 4.0398 4.0605 4.0784 4.1339 4.1383 4.1562 4.2552 4.2563 4.2862 4.3140 4.3672 4.3673 4.7335 4.7499 4.8192 4.8194 4.8662 4.9260 4.9951 5.0054 5.8351 5.8485 5.9906 5.9942 6.0329 6.0433 7.3773 7.3774 7.3896 7.3921 7.7388 7.7457 7.9496 7.9655 8.0718 8.0762 9.3272 9.3318 11.0282 11.0413 k = 0.0875 0.0875-0.0000 ( 6559 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2893 -7.2893 -6.2605 -6.2599 -6.2572 -6.2567 -6.2366 -6.2361 0.9928 0.9992 1.0022 1.0086 1.4745 1.4747 2.5256 2.5262 2.5891 2.5924 2.6050 2.6160 2.9665 2.9722 3.0516 3.0685 3.0877 3.0884 3.4235 3.4457 3.4635 3.4737 3.5626 3.5782 3.6394 3.6622 3.7118 3.7363 4.0569 4.0694 4.0852 4.1404 4.1475 4.1544 4.2552 4.2591 4.2819 4.3124 4.3530 4.3532 4.7359 4.7455 4.8279 4.8292 4.8764 4.9319 4.9814 4.9915 5.8736 5.8859 5.9990 6.0010 6.0317 6.0397 7.3730 7.3730 7.3840 7.3856 7.7637 7.7703 7.9586 7.9715 8.0689 8.0725 9.2388 9.2424 11.0146 11.0275 k = 0.0750 0.0750-0.0000 ( 6563 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2980 -7.2980 -6.2545 -6.2541 -6.2519 -6.2514 -6.2366 -6.2362 0.9811 0.9865 0.9883 0.9937 1.4618 1.4619 2.5380 2.5384 2.5896 2.5926 2.6037 2.6134 2.9768 2.9807 3.0655 3.0799 3.0930 3.0944 3.4466 3.4628 3.4821 3.4928 3.5657 3.5789 3.6304 3.6536 3.6921 3.7156 4.0722 4.0794 4.0916 4.1459 4.1525 4.1555 4.2553 4.2618 4.2775 4.3100 4.3405 4.3412 4.7362 4.7416 4.8362 4.8374 4.8879 4.9378 4.9702 4.9799 5.9088 5.9198 6.0058 6.0058 6.0308 6.0361 7.3694 7.3694 7.3784 7.3794 7.7879 7.7934 7.9699 7.9797 8.0663 8.0692 9.1548 9.1575 11.0028 11.0143 k = 0.0625 0.0625-0.0000 ( 6569 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3054 -7.3054 -6.2494 -6.2491 -6.2472 -6.2468 -6.2366 -6.2362 0.9711 0.9755 0.9764 0.9809 1.4509 1.4510 2.5475 2.5477 2.5912 2.5939 2.6028 2.6110 2.9853 2.9877 3.0777 3.0896 3.0972 3.0999 3.4695 3.4797 3.4994 3.5107 3.5683 3.5796 3.6215 3.6446 3.6727 3.6948 4.0845 4.0916 4.0974 4.1504 4.1505 4.1615 4.2560 4.2643 4.2726 4.3060 4.3304 4.3319 4.7354 4.7382 4.8428 4.8437 4.9005 4.9434 4.9616 4.9706 5.9401 5.9494 6.0090 6.0110 6.0304 6.0327 7.3664 7.3664 7.3733 7.3738 7.8093 7.8133 7.9847 7.9912 8.0641 8.0663 9.0768 9.0786 10.9930 11.0002 k = 0.0500 0.0500-0.0000 ( 6579 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3115 -7.3115 -6.2453 -6.2451 -6.2433 -6.2429 -6.2366 -6.2363 0.9629 0.9664 0.9665 0.9702 1.4419 1.4420 2.5541 2.5541 2.5938 2.5961 2.6022 2.6089 2.9919 2.9932 3.0880 3.0975 3.1010 3.1042 3.4920 3.4966 3.5151 3.5271 3.5707 3.5803 3.6127 3.6352 3.6537 3.6738 4.0943 4.1026 4.1049 4.1488 4.1535 4.1651 4.2576 4.2663 4.2676 4.2994 4.3236 4.3251 4.7341 4.7354 4.8475 4.8480 4.9133 4.9482 4.9555 4.9634 5.9667 5.9741 6.0107 6.0148 6.0302 6.0304 7.3640 7.3640 7.3687 7.3690 7.8262 7.8286 8.0029 8.0065 8.0621 8.0638 9.0068 9.0079 10.9856 10.9897 k = 0.0375 0.0375-0.0000 ( 6589 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3163 -7.3163 -6.2421 -6.2420 -6.2402 -6.2399 -6.2366 -6.2363 0.9566 0.9589 0.9592 0.9616 1.4349 1.4349 2.5581 2.5581 2.5969 2.5988 2.6020 2.6070 2.9969 2.9975 3.0964 3.1034 3.1042 3.1073 3.5133 3.5140 3.5291 3.5416 3.5731 3.5811 3.6039 3.6253 3.6354 3.6529 4.1027 4.1071 4.1177 4.1476 4.1549 4.1659 4.2597 4.2638 4.2677 4.2909 4.3197 4.3206 4.7327 4.7333 4.8505 4.8506 4.9253 4.9516 4.9518 4.9581 5.9878 5.9930 6.0117 6.0166 6.0294 6.0309 7.3622 7.3622 7.3649 7.3650 7.8380 7.8391 8.0228 8.0243 8.0605 8.0617 8.9472 8.9477 10.9797 10.9816 k = 0.0250 0.0250-0.0000 ( 6611 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3197 -7.3197 -6.2399 -6.2399 -6.2380 -6.2377 -6.2364 -6.2362 0.9522 0.9535 0.9540 0.9553 1.4298 1.4298 2.5603 2.5603 2.5999 2.6012 2.6021 2.6054 3.0003 3.0005 3.1028 3.1068 3.1074 3.1093 3.5297 3.5347 3.5412 3.5527 3.5766 3.5825 3.5956 3.6151 3.6182 3.6320 4.1091 4.1107 4.1297 4.1474 4.1546 4.1637 4.2612 4.2632 4.2684 4.2819 4.3175 4.3178 4.7316 4.7317 4.8520 4.8521 4.9359 4.9497 4.9535 4.9543 6.0028 6.0056 6.0123 6.0164 6.0309 6.0320 7.3609 7.3609 7.3621 7.3622 7.8453 7.8457 8.0410 8.0414 8.0593 8.0601 8.9011 8.9013 10.9761 10.9775 k = 0.0125 0.0125-0.0000 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3217 -7.3217 -6.2388 -6.2388 -6.2365 -6.2364 -6.2362 -6.2361 0.9498 0.9504 0.9507 0.9513 1.4268 1.4268 2.5614 2.5614 2.6020 2.6025 2.6027 2.6041 3.0023 3.0024 3.1072 3.1087 3.1093 3.1102 3.5449 3.5508 3.5515 3.5583 3.5828 3.5853 3.5902 3.6035 3.6047 3.6120 4.1130 4.1132 4.1408 4.1484 4.1529 4.1584 4.2628 4.2653 4.2682 4.2737 4.3162 4.3163 4.7308 4.7308 4.8527 4.8527 4.9442 4.9493 4.9516 4.9530 6.0113 6.0122 6.0130 6.0152 6.0333 6.0335 7.3601 7.3601 7.3604 7.3604 7.8492 7.8492 8.0539 8.0539 8.0587 8.0590 8.8716 8.8716 10.9732 10.9746 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3224 -7.3224 -6.2385 -6.2385 -6.2360 -6.2360 -6.2360 -6.2360 0.9495 0.9495 0.9495 0.9495 1.4258 1.4258 2.5617 2.5617 2.6031 2.6031 2.6031 2.6031 3.0030 3.0030 3.1096 3.1096 3.1096 3.1096 3.5561 3.5561 3.5561 3.5561 3.5895 3.5895 3.5956 3.5956 3.5956 3.5956 4.1142 4.1142 4.1505 4.1505 4.1505 4.1505 4.2671 4.2671 4.2671 4.2671 4.3158 4.3158 4.7305 4.7305 4.8529 4.8529 4.9500 4.9500 4.9500 4.9500 6.0140 6.0140 6.0140 6.0140 6.0344 6.0344 7.3598 7.3598 7.3598 7.3598 7.8503 7.8503 8.0585 8.0585 8.0585 8.0585 8.8614 8.8614 10.9728 10.9747 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3224 -7.3224 -6.2385 -6.2385 -6.2360 -6.2360 -6.2360 -6.2360 0.9495 0.9495 0.9495 0.9495 1.4258 1.4258 2.5617 2.5617 2.6031 2.6031 2.6031 2.6031 3.0030 3.0030 3.1096 3.1096 3.1096 3.1096 3.5561 3.5561 3.5561 3.5561 3.5895 3.5895 3.5956 3.5956 3.5956 3.5956 4.1142 4.1142 4.1505 4.1505 4.1505 4.1505 4.2671 4.2671 4.2671 4.2671 4.3158 4.3158 4.7305 4.7305 4.8529 4.8529 4.9500 4.9500 4.9500 4.9500 6.0140 6.0140 6.0140 6.0140 6.0344 6.0344 7.3598 7.3598 7.3598 7.3598 7.8503 7.8503 8.0585 8.0585 8.0585 8.0585 8.8614 8.8614 10.9734 10.9747 k = 0.0102 0.0102 0.0102 ( 6619 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3217 -7.3217 -6.2388 -6.2388 -6.2364 -6.2363 -6.2363 -6.2362 0.9498 0.9505 0.9505 0.9513 1.4268 1.4268 2.5614 2.5614 2.6023 2.6025 2.6025 2.6042 3.0023 3.0023 3.1071 3.1090 3.1090 3.1101 3.5454 3.5518 3.5518 3.5560 3.5837 3.5837 3.5913 3.6045 3.6045 3.6113 4.1131 4.1131 4.1404 4.1507 4.1507 4.1586 4.2628 4.2666 4.2666 4.2740 4.3163 4.3163 4.7308 4.7308 4.8527 4.8527 4.9439 4.9506 4.9506 4.9531 6.0116 6.0116 6.0130 6.0154 6.0334 6.0334 7.3602 7.3602 7.3603 7.3603 7.8492 7.8492 8.0538 8.0538 8.0587 8.0591 8.8716 8.8716 10.9740 10.9746 k = 0.0204 0.0204 0.0204 ( 6604 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3197 -7.3197 -6.2397 -6.2397 -6.2375 -6.2371 -6.2371 -6.2371 0.9523 0.9537 0.9537 0.9552 1.4298 1.4298 2.5603 2.5603 2.6007 2.6007 2.6017 2.6055 3.0005 3.0005 3.1028 3.1074 3.1074 3.1087 3.5324 3.5413 3.5413 3.5422 3.5776 3.5776 3.6014 3.6176 3.6176 3.6297 4.1100 4.1100 4.1289 4.1512 4.1512 4.1639 4.2619 4.2651 4.2651 4.2828 4.3176 4.3176 4.7316 4.7316 4.8520 4.8520 4.9350 4.9527 4.9527 4.9533 6.0035 6.0035 6.0125 6.0173 6.0316 6.0316 7.3615 7.3615 7.3616 7.3616 7.8455 7.8455 8.0409 8.0409 8.0598 8.0606 8.9011 8.9011 10.9780 10.9793 k = 0.0306 0.0306 0.0306 ( 6580 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3163 -7.3163 -6.2412 -6.2412 -6.2392 -6.2386 -6.2385 -6.2385 0.9570 0.9590 0.9590 0.9613 1.4349 1.4349 2.5582 2.5582 2.5981 2.5981 2.6014 2.6071 2.9973 2.9973 3.0966 3.1046 3.1046 3.1054 3.5192 3.5244 3.5276 3.5276 3.5712 3.5712 3.6162 3.6318 3.6318 3.6488 4.1052 4.1052 4.1165 4.1515 4.1515 4.1657 4.2626 4.2626 4.2649 4.2929 4.3199 4.3199 4.7330 4.7330 4.8504 4.8504 4.9233 4.9507 4.9567 4.9567 5.9885 5.9885 6.0124 6.0195 6.0302 6.0302 7.3635 7.3635 7.3637 7.3638 7.8383 7.8383 8.0230 8.0230 8.0615 8.0627 8.9472 8.9472 10.9842 10.9850 k = 0.0408 0.0408 0.0408 ( 6583 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3115 -7.3115 -6.2433 -6.2433 -6.2415 -6.2407 -6.2404 -6.2404 0.9637 0.9664 0.9664 0.9695 1.4419 1.4419 2.5542 2.5542 2.5952 2.5952 2.6014 2.6089 2.9928 2.9928 3.0886 3.0999 3.1008 3.1008 3.5057 3.5063 3.5126 3.5126 3.5634 3.5634 3.6324 3.6463 3.6463 3.6682 4.0990 4.0990 4.1035 4.1514 4.1514 4.1643 4.2592 4.2592 4.2715 4.3040 4.3231 4.3231 4.7347 4.7347 4.8474 4.8474 4.9092 4.9457 4.9634 4.9634 5.9665 5.9665 6.0125 6.0220 6.0294 6.0294 7.3664 7.3664 7.3667 7.3668 7.8264 7.8264 8.0044 8.0044 8.0640 8.0654 9.0065 9.0065 10.9938 10.9952 k = 0.0510 0.0510 0.0510 ( 6568 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.3054 -7.3054 -6.2460 -6.2460 -6.2444 -6.2434 -6.2428 -6.2428 0.9724 0.9757 0.9757 0.9798 1.4509 1.4509 2.5480 2.5480 2.5928 2.5928 2.6017 2.6109 2.9870 2.9870 3.0787 3.0925 3.0959 3.0959 3.4871 3.4937 3.4968 3.4968 3.5538 3.5538 3.6495 3.6610 3.6610 3.6875 4.0903 4.0917 4.0917 4.1506 4.1506 4.1603 4.2550 4.2550 4.2812 4.3160 4.3275 4.3275 4.7368 4.7368 4.8429 4.8429 4.8932 4.9386 4.9733 4.9733 5.9384 5.9384 6.0128 6.0245 6.0287 6.0287 7.3700 7.3700 7.3705 7.3707 7.8089 7.8089 7.9887 7.9887 8.0669 8.0687 9.0759 9.0759 11.0038 11.0079 k = 0.0612 0.0612 0.0612 ( 6559 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2980 -7.2980 -6.2493 -6.2493 -6.2479 -6.2467 -6.2457 -6.2457 0.9830 0.9870 0.9870 0.9920 1.4617 1.4617 2.5389 2.5389 2.5914 2.5914 2.6022 2.6131 2.9798 2.9798 3.0670 3.0829 3.0900 3.0900 3.4687 3.4805 3.4805 3.4816 3.5423 3.5423 3.6671 3.6758 3.6758 3.7069 4.0768 4.0834 4.0834 4.1491 4.1491 4.1545 4.2501 4.2501 4.2931 4.3286 4.3329 4.3329 4.7389 4.7389 4.8371 4.8371 4.8756 4.9297 4.9865 4.9865 5.9048 5.9048 6.0129 6.0269 6.0279 6.0279 7.3745 7.3745 7.3752 7.3756 7.7860 7.7860 7.9776 7.9776 8.0703 8.0723 9.1526 9.1526 11.0169 11.0227 k = 0.0714 0.0714 0.0714 ( 6565 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2893 -7.2893 -6.2532 -6.2532 -6.2519 -6.2506 -6.2490 -6.2490 0.9955 1.0001 1.0001 1.0061 1.4742 1.4742 2.5268 2.5268 2.5910 2.5910 2.6030 2.6155 2.9712 2.9712 3.0536 3.0711 3.0831 3.0831 3.4508 3.4638 3.4638 3.4699 3.5288 3.5288 3.6852 3.6905 3.6905 3.7260 4.0632 4.0744 4.0744 4.1466 4.1466 4.1477 4.2447 4.2447 4.3064 4.3393 4.3393 4.3417 4.7409 4.7409 4.8302 4.8302 4.8571 4.9197 5.0031 5.0031 5.8661 5.8661 6.0128 6.0268 6.0268 6.0289 7.3798 7.3798 7.3807 7.3813 7.7590 7.7590 7.9712 7.9712 8.0740 8.0761 9.2344 9.2344 11.0314 11.0398 k = 0.0816 0.0816 0.0816 ( 6565 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2793 -7.2793 -6.2577 -6.2577 -6.2566 -6.2550 -6.2528 -6.2528 1.0097 1.0149 1.0149 1.0219 1.4884 1.4884 2.5121 2.5121 2.5916 2.5916 2.6041 2.6180 2.9612 2.9612 3.0384 3.0572 3.0754 3.0754 3.4335 3.4465 3.4465 3.4587 3.5136 3.5136 3.7036 3.7051 3.7051 3.7451 4.0496 4.0646 4.0646 4.1402 4.1434 4.1434 4.2391 4.2391 4.3208 4.3468 4.3468 4.3554 4.7427 4.7427 4.8231 4.8231 4.8380 4.9089 5.0229 5.0229 5.8231 5.8231 6.0123 6.0252 6.0252 6.0305 7.3858 7.3858 7.3870 7.3879 7.7301 7.7301 7.9685 7.9685 8.0778 8.0799 9.3192 9.3192 11.0472 11.0575 k = 0.0918 0.0918 0.0918 ( 6574 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2680 -7.2680 -6.2627 -6.2627 -6.2617 -6.2600 -6.2569 -6.2569 1.0254 1.0312 1.0312 1.0394 1.5042 1.5042 2.4947 2.4947 2.5927 2.5927 2.6053 2.6206 2.9498 2.9498 3.0217 3.0411 3.0669 3.0669 3.4170 3.4286 3.4286 3.4478 3.4969 3.4969 3.7196 3.7196 3.7223 3.7639 4.0361 4.0544 4.0544 4.1323 4.1395 4.1395 4.2334 4.2334 4.3359 4.3554 4.3554 4.3695 4.7439 4.7439 4.8163 4.8163 4.8190 4.8978 5.0457 5.0457 5.7763 5.7763 6.0113 6.0230 6.0230 6.0314 7.3927 7.3927 7.3942 7.3954 7.7009 7.7009 7.9683 7.9683 8.0815 8.0837 9.4056 9.4056 11.0644 11.0762 k = 0.1020 0.1020 0.1020 ( 6568 PWs) bands (ev): -58.2015 -58.2015 -32.6020 -32.6020 -31.7741 -31.7741 -31.7741 -31.7741 -7.2555 -7.2555 -6.2682 -6.2682 -6.2673 -6.2655 -6.2615 -6.2615 1.0426 1.0490 1.0490 1.0584 1.5215 1.5215 2.4750 2.4750 2.5945 2.5945 2.6069 2.6233 2.9369 2.9369 3.0036 3.0231 3.0577 3.0577 3.4013 3.4099 3.4099 3.4374 3.4790 3.4790 3.7339 3.7339 3.7411 3.7824 4.0229 4.0437 4.0437 4.1243 4.1350 4.1350 4.2278 4.2278 4.3516 4.3648 4.3648 4.3839 4.7445 4.7445 4.8005 4.8105 4.8105 4.8868 5.0712 5.0712 5.7264 5.7264 6.0095 6.0201 6.0201 6.0316 7.4003 7.4003 7.4021 7.4039 7.6728 7.6728 7.9698 7.9698 8.0852 8.0873 9.4920 9.4920 11.0828 11.0958 k = 0.1122 0.1122 0.1122 ( 6568 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.2419 -7.2419 -6.2742 -6.2742 -6.2734 -6.2714 -6.2665 -6.2665 1.0610 1.0680 1.0680 1.0787 1.5399 1.5399 2.4530 2.4530 2.5966 2.5966 2.6087 2.6259 2.9227 2.9227 2.9843 3.0032 3.0479 3.0479 3.3866 3.3898 3.3898 3.4271 3.4604 3.4604 3.7479 3.7479 3.7600 3.8006 4.0100 4.0328 4.0328 4.1163 4.1302 4.1302 4.2223 4.2223 4.3677 4.3752 4.3752 4.3988 4.7442 4.7442 4.7830 4.8059 4.8059 4.8763 5.0992 5.0992 5.6739 5.6739 6.0071 6.0165 6.0165 6.0310 7.4087 7.4087 7.4109 7.4132 7.6467 7.6467 7.9723 7.9723 8.0887 8.0906 9.5771 9.5771 11.1022 11.1152 k = 0.1224 0.1224 0.1224 ( 6562 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.2270 -7.2270 -6.2807 -6.2807 -6.2800 -6.2778 -6.2718 -6.2718 1.0804 1.0881 1.0881 1.1002 1.5595 1.5595 2.4289 2.4289 2.5991 2.5991 2.6106 2.6285 2.9072 2.9072 2.9638 2.9817 3.0376 3.0376 3.3681 3.3681 3.3727 3.4172 3.4419 3.4419 3.7614 3.7614 3.7788 3.8184 3.9976 4.0218 4.0218 4.1085 4.1252 4.1252 4.2170 4.2170 4.3841 4.3865 4.3865 4.4140 4.7432 4.7432 4.7670 4.8029 4.8029 4.8666 5.1295 5.1295 5.6193 5.6193 6.0038 6.0122 6.0122 6.0294 7.4178 7.4178 7.4204 7.4234 7.6232 7.6232 7.9755 7.9755 8.0919 8.0937 9.6597 9.6597 11.1227 11.1357 k = 0.1327 0.1327 0.1327 ( 6565 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.2111 -7.2111 -6.2875 -6.2875 -6.2869 -6.2846 -6.2774 -6.2774 1.1007 1.1090 1.1090 1.1226 1.5799 1.5799 2.4028 2.4028 2.6018 2.6018 2.6127 2.6308 2.8905 2.8905 2.9426 2.9590 3.0270 3.0270 3.3443 3.3443 3.3597 3.4074 3.4241 3.4241 3.7745 3.7745 3.7973 3.8355 3.9859 4.0109 4.0109 4.1011 4.1201 4.1201 4.2120 4.2120 4.3986 4.3986 4.4007 4.4296 4.7418 4.7418 4.7527 4.8012 4.8012 4.8580 5.1618 5.1618 5.5633 5.5633 5.9998 6.0071 6.0071 6.0269 7.4275 7.4275 7.4307 7.4344 7.6026 7.6026 7.9792 7.9792 8.0948 8.0963 9.7388 9.7388 11.1442 11.1564 k = 0.1429 0.1429 0.1429 ( 6553 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1941 -7.1941 -6.2947 -6.2947 -6.2942 -6.2918 -6.2834 -6.2834 1.1216 1.1305 1.1305 1.1457 1.6010 1.6010 2.3750 2.3750 2.6046 2.6046 2.6150 2.6328 2.8728 2.8728 2.9208 2.9354 3.0161 3.0161 3.3182 3.3182 3.3474 3.3977 3.4073 3.4073 3.7869 3.7869 3.8153 3.8520 3.9753 4.0002 4.0002 4.0943 4.1152 4.1152 4.2073 4.2073 4.4116 4.4116 4.4174 4.4455 4.7405 4.7405 4.7405 4.8003 4.8003 4.8506 5.1962 5.1962 5.5064 5.5064 5.9949 6.0012 6.0012 6.0236 7.4379 7.4379 7.4417 7.4463 7.5852 7.5852 7.9831 7.9831 8.0975 8.0987 9.8132 9.8132 11.1668 11.1774 k = 0.1531 0.1531 0.1531 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1761 -7.1761 -6.3023 -6.3023 -6.3018 -6.2993 -6.2896 -6.2896 1.1428 1.1523 1.1523 1.1692 1.6224 1.6224 2.3454 2.3454 2.6073 2.6073 2.6172 2.6342 2.8546 2.8546 2.8988 2.9117 3.0050 3.0050 3.2899 3.2899 3.3360 3.3882 3.3917 3.3917 3.7985 3.7985 3.8324 3.8676 3.9658 3.9898 3.9898 4.0882 4.1107 4.1107 4.2029 4.2029 4.4254 4.4254 4.4343 4.4618 4.7306 4.7396 4.7396 4.7999 4.7999 4.8447 5.2323 5.2323 5.4492 5.4492 5.9893 5.9947 5.9947 6.0193 7.4488 7.4488 7.4533 7.4589 7.5712 7.5712 7.9872 7.9872 8.1000 8.1007 9.8823 9.8823 11.1902 11.2006 k = 0.1633 0.1633 0.1633 ( 6541 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1571 -7.1571 -6.3101 -6.3101 -6.3097 -6.3070 -6.2960 -6.2960 1.1641 1.1742 1.1742 1.1929 1.6438 1.6438 2.3144 2.3144 2.6100 2.6100 2.6194 2.6349 2.8360 2.8360 2.8769 2.8882 2.9938 2.9938 3.2599 3.2599 3.3251 3.3774 3.3774 3.3786 3.8091 3.8091 3.8481 3.8821 3.9582 3.9801 3.9801 4.0831 4.1065 4.1065 4.1987 4.1987 4.4401 4.4401 4.4511 4.4784 4.7232 4.7394 4.7394 4.7995 4.7995 4.8403 5.2699 5.2699 5.3922 5.3922 5.9831 5.9876 5.9876 6.0143 7.4601 7.4601 7.4656 7.4723 7.5607 7.5607 7.9915 7.9915 8.1023 8.1025 9.9455 9.9455 11.2145 11.2217 k = 0.1735 0.1735 0.1735 ( 6559 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1372 -7.1372 -6.3182 -6.3182 -6.3178 -6.3151 -6.3027 -6.3027 1.1852 1.1959 1.1959 1.2165 1.6649 1.6649 2.2820 2.2820 2.6124 2.6124 2.6214 2.6345 2.8176 2.8176 2.8555 2.8657 2.9825 2.9825 3.2287 3.2287 3.3148 3.3641 3.3641 3.3690 3.8186 3.8186 3.8617 3.8954 3.9531 3.9712 3.9712 4.0791 4.1029 4.1029 4.1949 4.1949 4.4556 4.4556 4.4678 4.4953 4.7183 4.7402 4.7402 4.7987 4.7987 4.8376 5.3083 5.3083 5.3367 5.3367 5.9762 5.9800 5.9800 6.0086 7.4717 7.4717 7.4783 7.4863 7.5537 7.5537 7.9959 7.9959 8.1042 8.1045 10.0024 10.0024 11.2394 11.2444 k = 0.1837 0.1837 0.1837 ( 6559 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.1165 -7.1165 -6.3265 -6.3265 -6.3261 -6.3234 -6.3095 -6.3095 1.2058 1.2170 1.2170 1.2395 1.6851 1.6851 2.2487 2.2487 2.6145 2.6145 2.6233 2.6328 2.8000 2.8000 2.8351 2.8450 2.9711 2.9711 3.1967 3.1967 3.3049 3.3518 3.3518 3.3595 3.8269 3.8269 3.8720 3.9073 3.9516 3.9632 3.9632 4.0765 4.0997 4.0997 4.1914 4.1914 4.4720 4.4720 4.4843 4.5125 4.7162 4.7420 4.7420 4.7973 4.7973 4.8365 5.2802 5.2802 5.3503 5.3503 5.9690 5.9722 5.9722 6.0024 7.4835 7.4835 7.4916 7.5008 7.5503 7.5503 8.0007 8.0007 8.1058 8.1067 10.0528 10.0528 11.2648 11.2678 k = 0.1939 0.1939 0.1939 ( 6571 PWs) bands (ev): -58.2015 -58.2015 -32.6021 -32.6021 -31.7742 -31.7742 -31.7742 -31.7742 -7.0950 -7.0950 -6.3350 -6.3350 -6.3346 -6.3318 -6.3165 -6.3165 1.2255 1.2373 1.2373 1.2618 1.7040 1.7040 2.2147 2.2147 2.6160 2.6160 2.6248 2.6294 2.7835 2.7835 2.8161 2.8267 2.9598 2.9598 3.1646 3.1646 3.2955 3.3401 3.3401 3.3498 3.8338 3.8338 3.8783 3.9178 3.9545 3.9564 3.9564 4.0752 4.0970 4.0970 4.1881 4.1881 4.4890 4.4890 4.5004 4.5299 4.7168 4.7446 4.7446 4.7948 4.7948 4.8371 5.2273 5.2273 5.3918 5.3918 5.9616 5.9642 5.9642 5.9958 7.4954 7.4954 7.5052 7.5158 7.5505 7.5505 8.0057 8.0057 8.1075 8.1090 10.0969 10.0969 11.2904 11.2911 k = 0.2041 0.2041 0.2041 ( 6565 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7743 -31.7743 -31.7743 -31.7743 -7.0728 -7.0728 -6.3436 -6.3436 -6.3433 -6.3404 -6.3236 -6.3236 1.2441 1.2564 1.2564 1.2829 1.7208 1.7208 2.1805 2.1805 2.6167 2.6167 2.6242 2.6258 2.7690 2.7690 2.7991 2.8116 2.9485 2.9485 3.1331 3.1331 3.2864 3.3292 3.3292 3.3401 3.8393 3.8393 3.8807 3.9269 3.9510 3.9510 3.9616 4.0755 4.0948 4.0948 4.1851 4.1851 4.5067 4.5067 4.5161 4.5474 4.7202 4.7478 4.7478 4.7913 4.7913 4.8395 5.1768 5.1768 5.4346 5.4346 5.9542 5.9562 5.9562 5.9890 7.5073 7.5073 7.5190 7.5313 7.5541 7.5541 8.0112 8.0112 8.1094 8.1116 10.1348 10.1348 11.3139 11.3158 k = 0.2143 0.2143 0.2143 ( 6556 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -7.0499 -7.0499 -6.3523 -6.3523 -6.3520 -6.3491 -6.3308 -6.3308 1.2613 1.2739 1.2739 1.3025 1.7349 1.7349 2.1465 2.1465 2.6165 2.6165 2.6173 2.6261 2.7570 2.7570 2.7844 2.8000 2.9373 2.9373 3.1025 3.1025 3.2776 3.3187 3.3187 3.3304 3.8433 3.8433 3.8807 3.9347 3.9469 3.9469 3.9715 4.0770 4.0931 4.0931 4.1824 4.1824 4.5247 4.5247 4.5311 4.5649 4.7264 4.7505 4.7505 4.7873 4.7873 4.8437 5.1295 5.1295 5.4783 5.4783 5.9471 5.9485 5.9485 5.9824 7.5194 7.5194 7.5331 7.5469 7.5610 7.5610 8.0172 8.0172 8.1117 8.1145 10.1670 10.1670 11.3360 11.3410 k = 0.2245 0.2245 0.2245 ( 6562 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -7.0265 -7.0265 -6.3611 -6.3611 -6.3608 -6.3579 -6.3381 -6.3381 1.2767 1.2896 1.2896 1.3203 1.7453 1.7453 2.1133 2.1133 2.6090 2.6154 2.6154 2.6257 2.7477 2.7477 2.7726 2.7918 2.9262 2.9262 3.0736 3.0736 3.2690 3.3087 3.3087 3.3206 3.8459 3.8459 3.8795 3.9413 3.9443 3.9443 3.9828 4.0797 4.0918 4.0918 4.1798 4.1798 4.5429 4.5429 4.5452 4.5822 4.7353 4.7503 4.7503 4.7845 4.7845 4.8496 5.0863 5.0863 5.5228 5.5228 5.9404 5.9413 5.9413 5.9760 7.5318 7.5318 7.5472 7.5627 7.5705 7.5705 8.0238 8.0238 8.1145 8.1180 10.1940 10.1940 11.3565 11.3653 k = 0.2347 0.2347 0.2347 ( 6562 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -7.0026 -7.0026 -6.3699 -6.3699 -6.3696 -6.3666 -6.3453 -6.3453 1.2901 1.3032 1.3032 1.3358 1.7511 1.7511 2.0817 2.0817 2.6002 2.6134 2.6134 2.6247 2.7414 2.7414 2.7637 2.7867 2.9153 2.9153 3.0469 3.0469 3.2607 3.2990 3.2990 3.3108 3.8473 3.8473 3.8781 3.9429 3.9429 3.9472 3.9946 4.0833 4.0907 4.0907 4.1775 4.1775 4.5584 4.5609 4.5609 4.5990 4.7436 4.7436 4.7466 4.7862 4.7862 4.8571 5.0480 5.0480 5.5679 5.5679 5.9345 5.9349 5.9349 5.9703 7.5448 7.5448 7.5613 7.5784 7.5823 7.5823 8.0311 8.0311 8.1178 8.1220 10.2161 10.2161 11.3747 11.3865 k = 0.2449 0.2449 0.2449 ( 6559 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -6.9783 -6.9783 -6.3787 -6.3787 -6.3784 -6.3754 -6.3526 -6.3526 1.3013 1.3145 1.3145 1.3488 1.7511 1.7511 2.0525 2.0525 2.5916 2.6111 2.6111 2.6232 2.7380 2.7380 2.7578 2.7842 2.9048 2.9048 3.0228 3.0228 3.2526 3.2897 3.2897 3.3009 3.8478 3.8478 3.8771 3.9427 3.9427 3.9526 4.0063 4.0874 4.0900 4.0900 4.1754 4.1754 4.5706 4.5781 4.5781 4.6151 4.7299 4.7299 4.7602 4.7925 4.7925 4.8664 5.0151 5.0151 5.6135 5.6135 5.9296 5.9296 5.9297 5.9655 7.5586 7.5586 7.5752 7.5940 7.5961 7.5961 8.0392 8.0392 8.1219 8.1268 10.2339 10.2339 11.3898 11.4048 k = 0.2551 0.2551 0.2551 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -6.9537 -6.9537 -6.3874 -6.3874 -6.3871 -6.3841 -6.3599 -6.3599 1.3101 1.3232 1.3232 1.3591 1.7446 1.7446 2.0263 2.0263 2.5840 2.6091 2.6091 2.6218 2.7371 2.7371 2.7547 2.7838 2.8948 2.8948 3.0017 3.0017 3.2447 3.2807 3.2807 3.2912 3.8476 3.8476 3.8767 3.9433 3.9433 3.9578 4.0176 4.0894 4.0894 4.0919 4.1734 4.1734 4.5818 4.5941 4.5941 4.6303 4.7114 4.7114 4.7757 4.8017 4.8017 4.8771 4.9878 4.9878 5.6595 5.6595 5.9257 5.9257 5.9265 5.9621 7.5729 7.5729 7.5888 7.6094 7.6119 7.6119 8.0482 8.0482 8.1269 8.1323 10.2479 10.2479 11.4004 11.4181 k = 0.2653 0.2653 0.2653 ( 6547 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7743 -31.7743 -31.7743 -31.7743 -6.9289 -6.9289 -6.3960 -6.3960 -6.3957 -6.3928 -6.3671 -6.3671 1.3165 1.3293 1.3293 1.3665 1.7312 1.7312 2.0031 2.0031 2.5782 2.6078 2.6078 2.6207 2.7382 2.7382 2.7540 2.7848 2.8856 2.8856 2.9838 2.9838 3.2370 3.2719 3.2719 3.2814 3.8471 3.8471 3.8771 3.9446 3.9446 3.9629 4.0284 4.0888 4.0888 4.0965 4.1716 4.1716 4.5920 4.6074 4.6074 4.6444 4.6902 4.6902 4.7924 4.8124 4.8124 4.8890 4.9658 4.9658 5.7057 5.7057 5.9236 5.9236 5.9250 5.9603 7.5873 7.5873 7.6021 7.6242 7.6298 7.6298 8.0580 8.0580 8.1328 8.1387 10.2585 10.2585 11.4053 11.4254 k = 0.2755 0.2755 0.2755 ( 6541 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7744 -31.7744 -6.9039 -6.9039 -6.4045 -6.4045 -6.4042 -6.4013 -6.3742 -6.3742 1.3202 1.3326 1.3326 1.3709 1.7113 1.7113 1.9828 1.9828 2.5746 2.6079 2.6079 2.6205 2.7409 2.7409 2.7553 2.7870 2.8773 2.8773 2.9693 2.9693 3.2295 3.2634 3.2634 3.2717 3.8464 3.8464 3.8785 3.9464 3.9464 3.9683 4.0386 4.0884 4.0884 4.1010 4.1699 4.1699 4.6014 4.6147 4.6147 4.6573 4.6711 4.6711 4.8099 4.8239 4.8239 4.9019 4.9487 4.9487 5.7518 5.7518 5.9236 5.9236 5.9259 5.9606 7.6012 7.6012 7.6150 7.6386 7.6502 7.6502 8.0687 8.0687 8.1397 8.1459 10.2662 10.2662 11.4031 11.4256 k = 0.2857 0.2857 0.2857 ( 6535 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7744 -31.7744 -6.8789 -6.8789 -6.4129 -6.4129 -6.4126 -6.4097 -6.3813 -6.3813 1.3215 1.3333 1.3333 1.3723 1.6858 1.6858 1.9641 1.9641 2.5735 2.6096 2.6096 2.6215 2.7447 2.7447 2.7582 2.7900 2.8700 2.8700 2.9584 2.9584 3.2223 3.2551 3.2551 3.2622 3.8458 3.8458 3.8807 3.9485 3.9485 3.9739 4.0481 4.0879 4.0879 4.1052 4.1682 4.1682 4.6078 4.6078 4.6100 4.6634 4.6634 4.6690 4.8276 4.8353 4.8353 4.9153 4.9358 4.9358 5.7978 5.7978 5.9263 5.9263 5.9294 5.9634 7.6145 7.6145 7.6273 7.6523 7.6732 7.6732 8.0802 8.0802 8.1477 8.1540 10.2714 10.2714 11.3921 11.4172 k = 0.2959 0.2959 0.2959 ( 6541 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7744 -31.7744 -31.7744 -31.7744 -6.8540 -6.8540 -6.4211 -6.4211 -6.4207 -6.4179 -6.3882 -6.3882 1.3204 1.3314 1.3314 1.3708 1.6561 1.6561 1.9463 1.9463 2.5750 2.6131 2.6131 2.6239 2.7495 2.7495 2.7623 2.7935 2.8637 2.8637 2.9513 2.9513 3.2153 3.2470 3.2470 3.2528 3.8452 3.8452 3.8839 3.9508 3.9508 3.9799 4.0570 4.0874 4.0874 4.1092 4.1664 4.1664 4.5871 4.5871 4.6180 4.6676 4.6676 4.6793 4.8448 4.8455 4.8455 4.9269 4.9269 4.9286 5.8432 5.8432 5.9321 5.9321 5.9359 5.9691 7.6270 7.6270 7.6392 7.6654 7.6987 7.6987 8.0924 8.0924 8.1566 8.1629 10.2743 10.2743 11.3712 11.3987 k = 0.3061 0.3061 0.3061 ( 6545 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7744 -31.7744 -31.7744 -31.7744 -6.8293 -6.8293 -6.4291 -6.4291 -6.4287 -6.4259 -6.3950 -6.3950 1.3171 1.3272 1.3272 1.3666 1.6234 1.6234 1.9282 1.9282 2.5791 2.6184 2.6184 2.6277 2.7550 2.7550 2.7674 2.7973 2.8580 2.8580 2.9480 2.9480 3.2085 3.2391 3.2391 3.2436 3.8448 3.8448 3.8881 3.9533 3.9533 3.9863 4.0652 4.0868 4.0868 4.1128 4.1646 4.1646 4.5618 4.5618 4.6254 4.6756 4.6756 4.6885 4.8530 4.8530 4.8611 4.9222 4.9222 4.9413 5.8875 5.8875 5.9417 5.9417 5.9457 5.9780 7.6387 7.6387 7.6506 7.6777 7.7265 7.7265 8.1053 8.1053 8.1665 8.1725 10.2754 10.2754 11.3391 11.3690 k = 0.3163 0.3163 0.3163 ( 6545 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7744 -31.7744 -31.7744 -31.7744 -6.8049 -6.8049 -6.4368 -6.4368 -6.4363 -6.4337 -6.4017 -6.4017 1.3118 1.3209 1.3209 1.3599 1.5889 1.5889 1.9093 1.9093 2.5855 2.6255 2.6255 2.6330 2.7610 2.7610 2.7732 2.8013 2.8527 2.8527 2.9487 2.9487 3.2020 3.2315 3.2315 3.2346 3.8446 3.8446 3.8932 3.9559 3.9559 3.9931 4.0729 4.0861 4.0861 4.1161 4.1627 4.1627 4.5361 4.5361 4.6324 4.6841 4.6841 4.6966 4.8563 4.8563 4.8760 4.9220 4.9220 4.9530 5.9285 5.9285 5.9574 5.9574 5.9592 5.9905 7.6499 7.6499 7.6615 7.6893 7.7563 7.7563 8.1187 8.1187 8.1772 8.1827 10.2748 10.2748 11.2955 11.3274 k = 0.3265 0.3265 0.3265 ( 6557 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7744 -31.7744 -31.7744 -31.7744 -6.7808 -6.7808 -6.4443 -6.4443 -6.4438 -6.4412 -6.4082 -6.4082 1.3048 1.3127 1.3127 1.3512 1.5533 1.5533 1.8894 1.8894 2.5942 2.6341 2.6341 2.6396 2.7672 2.7672 2.7795 2.8053 2.8474 2.8474 2.9533 2.9533 3.1958 3.2240 3.2240 3.2259 3.8445 3.8445 3.8992 3.9585 3.9585 4.0002 4.0799 4.0853 4.0853 4.1190 4.1605 4.1605 4.5113 4.5113 4.6390 4.6922 4.6922 4.7036 4.8555 4.8555 4.8891 4.9254 4.9254 4.9630 5.9585 5.9585 5.9765 5.9870 5.9870 6.0067 7.6606 7.6606 7.6719 7.7002 7.7878 7.7878 8.1324 8.1324 8.1885 8.1933 10.2728 10.2728 11.2408 11.2743 k = 0.3367 0.3367 0.3367 ( 6557 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7744 -31.7744 -31.7744 -31.7744 -6.7573 -6.7573 -6.4514 -6.4514 -6.4509 -6.4484 -6.4145 -6.4145 1.2964 1.3030 1.3030 1.3407 1.5175 1.5175 1.8684 1.8684 2.6046 2.6441 2.6441 2.6473 2.7736 2.7736 2.7861 2.8093 2.8422 2.8422 2.9614 2.9614 3.1899 3.2169 3.2169 3.2175 3.8446 3.8446 3.9061 3.9613 3.9613 4.0077 4.0843 4.0843 4.0864 4.1215 4.1582 4.1582 4.4884 4.4884 4.6454 4.6997 4.6997 4.7098 4.8517 4.8517 4.9000 4.9307 4.9307 4.9711 5.9810 5.9810 5.9975 6.0267 6.0267 6.0267 7.6711 7.6711 7.6821 7.7106 7.8207 7.8207 8.1461 8.1461 8.2003 8.2042 10.2697 10.2697 11.1758 11.2104 k = 0.3469 0.3469 0.3469 ( 6545 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.7343 -6.7343 -6.4583 -6.4583 -6.4577 -6.4553 -6.4206 -6.4206 1.2868 1.2921 1.2921 1.3288 1.4819 1.4819 1.8466 1.8466 2.6167 2.6551 2.6551 2.6560 2.7800 2.7800 2.7929 2.8131 2.8371 2.8371 2.9725 2.9725 3.1845 3.2095 3.2101 3.2101 3.8447 3.8447 3.9138 3.9640 3.9640 4.0155 4.0831 4.0831 4.0925 4.1236 4.1556 4.1556 4.4677 4.4677 4.6515 4.7066 4.7066 4.7153 4.8462 4.8462 4.9088 4.9361 4.9361 4.9770 6.0045 6.0045 6.0223 6.0505 6.0678 6.0678 7.6814 7.6814 7.6920 7.7204 7.8548 7.8548 8.1597 8.1597 8.2123 8.2151 10.2656 10.2656 11.1022 11.1373 k = 0.3571 0.3571 0.3571 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7745 -31.7745 -6.7120 -6.7120 -6.4648 -6.4648 -6.4641 -6.4618 -6.4266 -6.4266 1.2764 1.2803 1.2803 1.3159 1.4470 1.4470 1.8242 1.8242 2.6298 2.6653 2.6669 2.6669 2.7863 2.7863 2.7997 2.8165 2.8321 2.8321 2.9858 2.9858 3.1794 3.2019 3.2036 3.2036 3.8449 3.8449 3.9222 3.9668 3.9668 4.0234 4.0817 4.0817 4.0980 4.1253 4.1529 4.1529 4.4494 4.4494 4.6575 4.7130 4.7130 4.7201 4.8397 4.8397 4.9152 4.9406 4.9406 4.9804 6.0307 6.0307 6.0506 6.0777 6.1081 6.1081 7.6917 7.6917 7.7018 7.7299 7.8897 7.8897 8.1729 8.1729 8.2242 8.2258 10.2607 10.2607 11.0218 11.0571 k = 0.3673 0.3673 0.3673 ( 6542 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7745 -31.7745 -6.6904 -6.6904 -6.4709 -6.4709 -6.4702 -6.4680 -6.4323 -6.4323 1.2655 1.2679 1.2679 1.3024 1.4132 1.4132 1.8017 1.8017 2.6439 2.6751 2.6792 2.6792 2.7922 2.7922 2.8064 2.8196 2.8274 2.8274 3.0010 3.0010 3.1746 3.1947 3.1974 3.1974 3.8450 3.8450 3.9312 3.9694 3.9694 4.0313 4.0801 4.0801 4.1031 4.1266 4.1500 4.1500 4.4336 4.4336 4.6634 4.7188 4.7188 4.7244 4.8328 4.8328 4.9193 4.9435 4.9435 4.9814 6.0596 6.0596 6.0819 6.1079 6.1472 6.1472 7.7021 7.7021 7.7116 7.7392 7.9251 7.9251 8.1855 8.1855 8.2357 8.2360 10.2552 10.2552 10.9368 10.9719 k = 0.3776 0.3776 0.3776 ( 6551 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7745 -31.7745 -6.6698 -6.6698 -6.4767 -6.4767 -6.4759 -6.4739 -6.4379 -6.4379 1.2543 1.2553 1.2553 1.2885 1.3807 1.3807 1.7793 1.7793 2.6584 2.6852 2.6918 2.6918 2.7976 2.7976 2.8127 2.8223 2.8233 2.8233 3.0172 3.0172 3.1703 3.1879 3.1916 3.1916 3.8450 3.8450 3.9409 3.9720 3.9720 4.0391 4.0783 4.0783 4.1077 4.1276 4.1470 4.1470 4.4202 4.4202 4.6692 4.7242 4.7242 4.7281 4.8257 4.8257 4.9213 4.9448 4.9448 4.9801 6.0907 6.0907 6.1158 6.1407 6.1847 6.1847 7.7128 7.7128 7.7215 7.7483 7.9605 7.9605 8.1971 8.1971 8.2454 8.2465 10.2492 10.2492 10.8493 10.8838 k = 0.3878 0.3878 0.3878 ( 6557 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6501 -6.6501 -6.4820 -6.4820 -6.4812 -6.4793 -6.4434 -6.4434 1.2428 1.2428 1.2433 1.2746 1.3500 1.3500 1.7574 1.7574 2.6733 2.6955 2.7043 2.7043 2.8018 2.8018 2.8185 2.8202 2.8202 2.8244 3.0340 3.0340 3.1664 3.1817 3.1862 3.1862 3.8450 3.8450 3.9510 3.9744 3.9744 4.0466 4.0762 4.0762 4.1120 4.1282 4.1441 4.1441 4.4093 4.4093 4.6751 4.7291 4.7291 4.7314 4.8188 4.8188 4.9216 4.9443 4.9443 4.9768 6.1234 6.1234 6.1516 6.1753 6.2205 6.2205 7.7238 7.7238 7.7316 7.7574 7.9955 7.9955 8.2077 8.2077 8.2539 8.2562 10.2429 10.2429 10.7612 10.7950 k = 0.3980 0.3980 0.3980 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6314 -6.6314 -6.4870 -6.4870 -6.4860 -6.4843 -6.4487 -6.4487 1.2304 1.2304 1.2325 1.2609 1.3211 1.3211 1.7364 1.7364 2.6880 2.7057 2.7166 2.7166 2.8040 2.8040 2.8191 2.8191 2.8238 2.8261 3.0509 3.0509 3.1630 3.1760 3.1812 3.1812 3.8447 3.8447 3.9615 3.9767 3.9767 4.0537 4.0740 4.0740 4.1158 4.1285 4.1414 4.1414 4.4006 4.4006 4.6811 4.7335 4.7335 4.7344 4.8122 4.8122 4.9202 4.9421 4.9421 4.9715 6.1570 6.1570 6.1886 6.2110 6.2542 6.2542 7.7353 7.7353 7.7421 7.7666 8.0297 8.0297 8.2170 8.2170 8.2612 8.2648 10.2364 10.2364 10.6745 10.7073 k = 0.4082 0.4082 0.4082 ( 6566 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6138 -6.6138 -6.4915 -6.4915 -6.4905 -6.4889 -6.4539 -6.4539 1.2185 1.2185 1.2222 1.2477 1.2944 1.2944 1.7166 1.7166 2.7026 2.7157 2.7286 2.7286 2.8037 2.8037 2.8202 2.8202 2.8271 2.8283 3.0675 3.0675 3.1599 3.1709 3.1766 3.1766 3.8443 3.8443 3.9723 3.9787 3.9787 4.0602 4.0718 4.0718 4.1191 4.1286 4.1390 4.1390 4.3938 4.3938 4.6872 4.7370 4.7373 4.7373 4.8063 4.8063 4.9176 4.9386 4.9386 4.9648 6.1906 6.1906 6.2259 6.2469 6.2858 6.2858 7.7473 7.7473 7.7530 7.7759 8.0624 8.0624 8.2250 8.2250 8.2671 8.2718 10.2298 10.2298 10.5908 10.6224 k = 0.4184 0.4184 0.4184 ( 6566 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5973 -6.5973 -6.4956 -6.4956 -6.4945 -6.4931 -6.4590 -6.4590 1.2073 1.2073 1.2126 1.2353 1.2701 1.2701 1.6982 1.6982 2.7167 2.7255 2.7399 2.7399 2.8021 2.8021 2.8226 2.8226 2.8275 2.8319 3.0834 3.0834 3.1573 3.1664 3.1726 3.1726 3.8437 3.8437 3.9805 3.9805 3.9833 4.0659 4.0695 4.0695 4.1221 4.1285 4.1370 4.1370 4.3888 4.3888 4.6934 4.7393 4.7404 4.7404 4.8013 4.8013 4.9142 4.9340 4.9340 4.9569 6.2235 6.2235 6.2627 6.2822 6.3152 6.3152 7.7598 7.7598 7.7642 7.7853 8.0929 8.0929 8.2317 8.2317 8.2716 8.2771 10.2233 10.2233 10.5117 10.5420 k = 0.4286 0.4286 0.4286 ( 6575 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5820 -6.5820 -6.4992 -6.4992 -6.4980 -6.4968 -6.4641 -6.4641 1.1969 1.1969 1.2040 1.2237 1.2484 1.2484 1.6815 1.6815 2.7300 2.7349 2.7503 2.7503 2.8002 2.8002 2.8250 2.8250 2.8274 2.8345 3.0982 3.0982 3.1551 3.1624 3.1690 3.1690 3.8429 3.8429 3.9819 3.9819 3.9942 4.0673 4.0673 4.0705 4.1247 4.1283 4.1353 4.1353 4.3851 4.3851 4.6997 4.7412 4.7424 4.7424 4.7976 4.7976 4.9102 4.9285 4.9285 4.9482 6.2546 6.2546 6.2981 6.3159 6.3420 6.3420 7.7725 7.7725 7.7756 7.7947 8.1203 8.1203 8.2375 8.2375 8.2746 8.2807 10.2170 10.2170 10.4386 10.4675 k = 0.4388 0.4388 0.4388 ( 6578 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5679 -6.5679 -6.5024 -6.5024 -6.5011 -6.5000 -6.4692 -6.4692 1.1873 1.1873 1.1964 1.2132 1.2294 1.2294 1.6666 1.6666 2.7426 2.7438 2.7597 2.7597 2.7988 2.7988 2.8268 2.8269 2.8269 2.8361 3.1116 3.1116 3.1533 3.1590 3.1659 3.1659 3.8421 3.8421 3.9831 3.9831 4.0051 4.0654 4.0654 4.0738 4.1269 4.1283 4.1340 4.1340 4.3826 4.3826 4.7061 4.7428 4.7434 4.7434 4.7956 4.7956 4.9061 4.9226 4.9226 4.9391 6.2831 6.2831 6.3313 6.3472 6.3662 6.3662 7.7853 7.7853 7.7871 7.8040 8.1438 8.1438 8.2429 8.2429 8.2763 8.2826 10.2111 10.2111 10.3729 10.4002 k = 0.4490 0.4490 0.4490 ( 6590 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5550 -6.5550 -6.5051 -6.5051 -6.5037 -6.5028 -6.4744 -6.4744 1.1788 1.1788 1.1899 1.2039 1.2133 1.2133 1.6538 1.6538 2.7522 2.7539 2.7675 2.7675 2.7981 2.7981 2.8258 2.8281 2.8281 2.8365 3.1233 3.1233 3.1518 3.1562 3.1634 3.1634 3.8411 3.8411 3.9840 3.9840 4.0156 4.0636 4.0636 4.0756 4.1284 4.1287 4.1330 4.1330 4.3810 4.3810 4.7124 4.7432 4.7432 4.7439 4.7950 4.7950 4.9021 4.9164 4.9164 4.9299 6.3083 6.3083 6.3614 6.3751 6.3876 6.3876 7.7978 7.7978 7.7983 7.8127 8.1622 8.1622 8.2486 8.2486 8.2767 8.2829 10.2056 10.2056 10.3157 10.3409 k = 0.4592 0.4592 0.4592 ( 6596 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5432 -6.5432 -6.5073 -6.5073 -6.5058 -6.5051 -6.4797 -6.4797 1.1714 1.1714 1.1847 1.1959 1.2004 1.2004 1.6431 1.6431 2.7599 2.7638 2.7735 2.7735 2.7988 2.7988 2.8247 2.8286 2.8286 2.8359 3.1331 3.1331 3.1507 3.1539 3.1615 3.1615 3.8402 3.8402 3.9847 3.9847 4.0258 4.0623 4.0623 4.0756 4.1288 4.1300 4.1323 4.1323 4.3800 4.3800 4.7186 4.7423 4.7423 4.7444 4.7958 4.7958 4.8988 4.9105 4.9105 4.9212 6.3295 6.3295 6.3875 6.3988 6.4058 6.4058 7.8089 7.8094 7.8094 7.8207 8.1749 8.1749 8.2553 8.2553 8.2764 8.2820 10.2007 10.2007 10.2680 10.2887 k = 0.4694 0.4694 0.4694 ( 6596 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5326 -6.5326 -6.5090 -6.5090 -6.5075 -6.5069 -6.4853 -6.4853 1.1652 1.1652 1.1809 1.1893 1.1905 1.1905 1.6346 1.6346 2.7669 2.7719 2.7772 2.7772 2.8009 2.8009 2.8237 2.8284 2.8284 2.8344 3.1407 3.1407 3.1499 3.1522 3.1603 3.1603 3.8395 3.8395 3.9852 3.9852 4.0355 4.0612 4.0612 4.0740 4.1294 4.1309 4.1318 4.1318 4.3795 4.3795 4.7246 4.7410 4.7410 4.7443 4.7972 4.7972 4.8963 4.9052 4.9052 4.9132 6.3463 6.3463 6.4091 6.4177 6.4205 6.4205 7.8184 7.8196 7.8196 7.8273 8.1823 8.1823 8.2625 8.2625 8.2756 8.2802 10.1964 10.1964 10.2307 10.2465 k = 0.4796 0.4796 0.4796 ( 6596 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5232 -6.5232 -6.5102 -6.5102 -6.5086 -6.5083 -6.4911 -6.4911 1.1605 1.1605 1.1786 1.1836 1.1836 1.1841 1.6286 1.6286 2.7728 2.7776 2.7791 2.7791 2.8038 2.8038 2.8235 2.8277 2.8277 2.8321 3.1459 3.1459 3.1494 3.1508 3.1598 3.1598 3.8388 3.8388 3.9855 3.9855 4.0445 4.0605 4.0605 4.0707 4.1301 4.1314 4.1315 4.1315 4.3792 4.3792 4.7300 4.7398 4.7398 4.7434 4.7988 4.7988 4.8951 4.9010 4.9010 4.9064 6.3584 6.3584 6.4253 6.4312 6.4315 6.4315 7.8261 7.8275 7.8275 7.8321 8.1859 8.1859 8.2690 8.2690 8.2749 8.2782 10.1924 10.1924 10.2044 10.2151 k = 0.4898 0.4898 0.4898 ( 6584 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5152 -6.5152 -6.5107 -6.5107 -6.5093 -6.5091 -6.4971 -6.4971 1.1575 1.1575 1.1777 1.1796 1.1796 1.1805 1.6249 1.6249 2.7775 2.7800 2.7800 2.7804 2.8063 2.8063 2.8244 2.8269 2.8269 2.8293 3.1487 3.1487 3.1492 3.1499 3.1599 3.1599 3.8385 3.8385 3.9856 3.9856 4.0527 4.0600 4.0600 4.0660 4.1308 4.1314 4.1314 4.1316 4.3791 4.3791 4.7347 4.7389 4.7389 4.7415 4.8001 4.8001 4.8954 4.8983 4.8983 4.9011 6.3657 6.3657 6.4359 6.4382 6.4382 6.4389 7.8315 7.8327 7.8327 7.8346 8.1873 8.1873 8.2735 8.2735 8.2746 8.2764 10.1884 10.1884 10.1895 10.1949 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5122 -6.5122 -6.5094 -6.5094 -6.5094 -6.5094 -6.5009 -6.5009 1.1565 1.1565 1.1783 1.1783 1.1783 1.1783 1.6237 1.6237 2.7803 2.7803 2.7803 2.7803 2.8074 2.8074 2.8266 2.8266 2.8266 2.8266 3.1496 3.1496 3.1496 3.1496 3.1602 3.1602 3.8385 3.8385 3.9859 3.9859 4.0601 4.0601 4.0601 4.0601 4.1315 4.1315 4.1315 4.1315 4.3794 4.3794 4.7387 4.7387 4.7387 4.7387 4.8006 4.8006 4.8975 4.8975 4.8975 4.8975 6.3682 6.3682 6.4405 6.4405 6.4405 6.4405 7.8345 7.8345 7.8345 7.8345 8.1877 8.1877 8.2751 8.2751 8.2751 8.2751 10.1863 10.1863 10.1863 10.1863 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5122 -6.5122 -6.5094 -6.5094 -6.5094 -6.5094 -6.5009 -6.5009 1.1565 1.1565 1.1783 1.1783 1.1783 1.1783 1.6237 1.6237 2.7803 2.7803 2.7803 2.7803 2.8074 2.8074 2.8266 2.8266 2.8266 2.8266 3.1496 3.1496 3.1496 3.1496 3.1602 3.1602 3.8385 3.8385 3.9859 3.9859 4.0601 4.0601 4.0601 4.0601 4.1315 4.1315 4.1315 4.1315 4.3794 4.3794 4.7387 4.7387 4.7387 4.7387 4.8006 4.8006 4.8975 4.8975 4.8975 4.8975 6.3682 6.3682 6.4405 6.4405 6.4405 6.4405 7.8345 7.8345 7.8345 7.8345 8.1877 8.1877 8.2751 8.2751 8.2751 8.2751 10.1863 10.1863 10.1863 10.1863 k = 0.4875 0.5000 0.4875 ( 6586 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5152 -6.5151 -6.5109 -6.5108 -6.5093 -6.5091 -6.4970 -6.4970 1.1575 1.1575 1.1778 1.1792 1.1799 1.1805 1.6249 1.6249 2.7775 2.7795 2.7802 2.7805 2.8063 2.8063 2.8243 2.8264 2.8274 2.8293 3.1485 3.1489 3.1492 3.1499 3.1598 3.1600 3.8385 3.8385 3.9856 3.9856 4.0530 4.0583 4.0617 4.0658 4.1308 4.1313 4.1314 4.1316 4.3791 4.3791 4.7349 4.7380 4.7397 4.7415 4.8001 4.8001 4.8955 4.8976 4.8990 4.9010 6.3657 6.3657 6.4359 6.4379 6.4382 6.4392 7.8309 7.8326 7.8329 7.8350 8.1873 8.1873 8.2733 8.2738 8.2746 8.2762 10.1881 10.1892 10.1896 10.1944 k = 0.4750 0.5000 0.4750 ( 6594 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5228 -6.5226 -6.5110 -6.5108 -6.5085 -6.5082 -6.4910 -6.4909 1.1605 1.1606 1.1789 1.1826 1.1841 1.1842 1.6286 1.6286 2.7731 2.7777 2.7783 2.7798 2.8035 2.8038 2.8227 2.8275 2.8282 2.8326 3.1455 3.1471 3.1493 3.1503 3.1593 3.1602 3.8388 3.8389 3.9854 3.9855 4.0451 4.0568 4.0637 4.0705 4.1302 4.1312 4.1314 4.1318 4.3792 4.3793 4.7301 4.7381 4.7408 4.7438 4.7989 4.7989 4.8952 4.8997 4.9024 4.9063 6.3583 6.3584 6.4250 6.4297 6.4312 6.4337 7.8228 7.8261 7.8301 7.8342 8.1859 8.1861 8.2687 8.2699 8.2747 8.2777 10.1940 10.1969 10.2018 10.2106 k = 0.4625 0.5000 0.4625 ( 6594 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5316 -6.5314 -6.5112 -6.5111 -6.5068 -6.5063 -6.4849 -6.4848 1.1653 1.1653 1.1818 1.1886 1.1897 1.1910 1.6346 1.6347 2.7672 2.7723 2.7766 2.7785 2.7996 2.8004 2.8220 2.8286 2.8292 2.8358 3.1400 3.1438 3.1495 3.1502 3.1593 3.1611 3.8394 3.8395 3.9851 3.9852 4.0365 4.0557 4.0657 4.0741 4.1295 4.1310 4.1313 4.1321 4.3793 4.3796 4.7244 4.7388 4.7412 4.7460 4.7977 4.7977 4.8962 4.9032 4.9072 4.9131 6.3459 6.3460 6.4081 6.4153 6.4209 6.4243 7.8106 7.8156 7.8261 7.8321 8.1824 8.1833 8.2616 8.2639 8.2751 8.2794 10.2027 10.2071 10.2216 10.2312 k = 0.4500 0.5000 0.4500 ( 6594 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5414 -6.5411 -6.5117 -6.5116 -6.5042 -6.5036 -6.4790 -6.4788 1.1714 1.1715 1.1867 1.1969 1.1972 1.2006 1.6430 1.6432 2.7602 2.7645 2.7741 2.7757 2.7950 2.7965 2.8222 2.8287 2.8310 2.8384 3.1323 3.1383 3.1497 3.1498 3.1606 3.1629 3.8402 3.8404 3.9846 3.9849 4.0272 4.0547 4.0677 4.0767 4.1289 4.1302 4.1313 4.1326 4.3796 4.3802 4.7176 4.7399 4.7404 4.7484 4.7968 4.7970 4.8986 4.9075 4.9134 4.9208 6.3282 6.3284 6.3860 6.3954 6.4072 6.4115 7.7955 7.8021 7.8210 7.8289 8.1756 8.1777 8.2529 8.2568 8.2757 8.2807 10.2141 10.2199 10.2480 10.2581 k = 0.4375 0.5000 0.4375 ( 6590 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5518 -6.5515 -6.5125 -6.5125 -6.5007 -6.5001 -6.4732 -6.4730 1.1781 1.1790 1.1942 1.2058 1.2084 1.2129 1.6537 1.6540 2.7524 2.7549 2.7706 2.7710 2.7903 2.7921 2.8234 2.8285 2.8325 2.8403 3.1224 3.1304 3.1490 3.1503 3.1632 3.1655 3.8411 3.8415 3.9838 3.9843 4.0176 4.0540 4.0690 4.0785 4.1286 4.1292 4.1314 4.1332 4.3800 4.3813 4.7102 4.7384 4.7412 4.7506 4.7968 4.7973 4.9021 4.9122 4.9206 4.9290 6.3055 6.3056 6.3595 6.3709 6.3906 6.3957 7.7783 7.7865 7.8148 7.8245 8.1642 8.1681 8.2436 8.2497 8.2759 8.2812 10.2286 10.2358 10.2810 10.2918 k = 0.4250 0.5000 0.4250 ( 6576 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5630 -6.5627 -6.5138 -6.5137 -6.4965 -6.4958 -6.4674 -6.4671 1.1852 1.1876 1.2041 1.2166 1.2223 1.2278 1.6666 1.6670 2.7438 2.7441 2.7637 2.7660 2.7860 2.7875 2.8253 2.8283 2.8336 2.8412 3.1106 3.1204 3.1485 3.1508 3.1666 3.1689 3.8420 3.8426 3.9828 3.9833 4.0079 4.0536 4.0692 4.0805 4.1280 4.1287 4.1314 4.1340 4.3809 4.3830 4.7022 4.7354 4.7425 4.7527 4.7978 4.7986 4.9067 4.9165 4.9282 4.9377 6.2779 6.2779 6.3296 6.3426 6.3714 6.3770 7.7602 7.7698 7.8076 7.8191 8.1478 8.1538 8.2345 8.2429 8.2753 8.2805 10.2464 10.2549 10.3204 10.3318 k = 0.4125 0.5000 0.4125 ( 6572 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5749 -6.5746 -6.5156 -6.5155 -6.4915 -6.4907 -6.4615 -6.4612 1.1927 1.1971 1.2164 1.2292 1.2387 1.2452 1.6815 1.6822 2.7322 2.7347 2.7541 2.7599 2.7822 2.7828 2.8277 2.8284 2.8341 2.8412 3.0970 3.1084 3.1485 3.1515 3.1708 3.1730 3.8427 3.8437 3.9814 3.9815 3.9987 4.0534 4.0679 4.0830 4.1268 4.1291 4.1313 4.1348 4.3822 4.3855 4.6939 4.7317 4.7433 4.7543 4.7999 4.8007 4.9123 4.9201 4.9352 4.9474 6.2457 6.2461 6.2972 6.3113 6.3497 6.3557 7.7417 7.7527 7.7995 7.8126 8.1267 8.1347 8.2257 8.2364 8.2735 8.2781 10.2676 10.2774 10.3659 10.3778 k = 0.4000 0.5000 0.4000 ( 6562 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5875 -6.5871 -6.5179 -6.5179 -6.4859 -6.4850 -6.4554 -6.4550 1.2008 1.2074 1.2306 1.2435 1.2575 1.2650 1.6982 1.6993 2.7193 2.7252 2.7427 2.7522 2.7780 2.7785 2.8288 2.8307 2.8340 2.8403 3.0817 3.0946 3.1491 3.1526 3.1755 3.1778 3.8433 3.8445 3.9771 3.9798 3.9916 4.0534 4.0652 4.0861 4.1256 4.1297 4.1313 4.1359 4.3841 4.3890 4.6858 4.7275 4.7436 4.7555 4.8028 4.8032 4.9176 4.9239 4.9403 4.9589 6.2099 6.2110 6.2630 6.2778 6.3256 6.3319 7.7235 7.7358 7.7906 7.8052 8.1015 8.1114 8.2168 8.2295 8.2702 8.2740 10.2922 10.3034 10.4168 10.4291 k = 0.3875 0.5000 0.3875 ( 6554 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6006 -6.6002 -6.5208 -6.5208 -6.4795 -6.4786 -6.4490 -6.4486 1.2096 1.2184 1.2464 1.2594 1.2786 1.2870 1.7167 1.7182 2.7056 2.7153 2.7298 2.7428 2.7730 2.7746 2.8295 2.8333 2.8343 2.8387 3.0647 3.0790 3.1503 3.1542 3.1807 3.1833 3.8436 3.8450 3.9695 3.9779 3.9878 4.0535 4.0618 4.0895 4.1244 4.1300 4.1318 4.1373 4.3867 4.3937 4.6778 4.7232 4.7433 4.7564 4.8058 4.8062 4.9195 4.9305 4.9431 4.9720 6.1716 6.1737 6.2278 6.2426 6.2991 6.3056 7.7060 7.7195 7.7810 7.7969 8.0732 8.0848 8.2072 8.2218 8.2652 8.2679 10.3200 10.3326 10.4729 10.4852 k = 0.3750 0.5000 0.3750 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6143 -6.6138 -6.5244 -6.5243 -6.4726 -6.4715 -6.4423 -6.4419 1.2190 1.2301 1.2636 1.2768 1.3017 1.3110 1.7365 1.7387 2.6910 2.7051 2.7158 2.7320 2.7679 2.7705 2.8305 2.8324 2.8367 2.8382 3.0464 3.0619 3.1523 3.1564 3.1865 3.1894 3.8434 3.8449 3.9603 3.9755 3.9858 4.0537 4.0581 4.0930 4.1236 4.1298 4.1328 4.1389 4.3903 4.3998 4.6702 4.7191 4.7423 4.7568 4.8080 4.8095 4.9178 4.9397 4.9434 4.9865 6.1321 6.1352 6.1918 6.2065 6.2704 6.2769 7.6894 7.7039 7.7709 7.7880 8.0425 8.0557 8.1965 8.2128 8.2584 8.2597 10.3511 10.3650 10.5334 10.5458 k = 0.3625 0.5000 0.3625 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.6285 -6.6280 -6.5285 -6.5285 -6.4650 -6.4638 -6.4352 -6.4347 1.2290 1.2424 1.2820 1.2954 1.3267 1.3367 1.7576 1.7605 2.6755 2.6947 2.7011 2.7199 2.7627 2.7661 2.8304 2.8310 2.8357 2.8424 3.0269 3.0434 3.1550 3.1594 3.1927 3.1960 3.8426 3.8441 3.9508 3.9727 3.9843 4.0538 4.0545 4.0964 4.1230 4.1294 4.1344 4.1410 4.3949 4.4074 4.6630 4.7150 4.7407 4.7570 4.8095 4.8125 4.9134 4.9408 4.9505 5.0021 6.0923 6.0966 6.1556 6.1698 6.2396 6.2460 7.6738 7.6892 7.7602 7.7783 8.0100 8.0248 8.1843 8.2024 8.2497 8.2499 10.3851 10.4003 10.5978 10.6101 k = 0.3500 0.5000 0.3500 ( 6554 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7745 -31.7745 -6.6431 -6.6426 -6.5333 -6.5333 -6.4568 -6.4556 -6.4278 -6.4273 1.2395 1.2551 1.3016 1.3152 1.3532 1.3640 1.7796 1.7833 2.6591 2.6842 2.6859 2.7065 2.7572 2.7615 2.8279 2.8293 2.8373 2.8471 3.0065 3.0239 3.1586 3.1632 3.1993 3.2032 3.8412 3.8422 3.9418 3.9694 3.9830 4.0513 4.0536 4.0995 4.1227 4.1287 4.1363 4.1437 4.4006 4.4167 4.6564 4.7113 4.7385 4.7568 4.8101 4.8145 4.9063 4.9353 4.9626 5.0187 6.0533 6.0589 6.1196 6.1330 6.2069 6.2130 7.6593 7.6755 7.7491 7.7680 7.9764 7.9926 8.1706 8.1903 8.2379 8.2398 10.4217 10.4381 10.6657 10.6778 k = 0.3375 0.5000 0.3375 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6580 -6.6575 -6.5387 -6.5386 -6.4481 -6.4469 -6.4199 -6.4194 1.2505 1.2682 1.3221 1.3359 1.3811 1.3925 1.8022 1.8068 2.6419 2.6706 2.6736 2.6923 2.7516 2.7567 2.8244 2.8276 2.8402 2.8520 2.9854 3.0036 3.1630 3.1679 3.2064 3.2110 3.8390 3.8393 3.9337 3.9657 3.9817 4.0490 4.0531 4.1022 4.1228 4.1279 4.1387 4.1472 4.4077 4.4278 4.6504 4.7079 4.7358 4.7565 4.8096 4.8153 4.8965 4.9267 4.9760 5.0361 6.0156 6.0225 6.0842 6.0967 6.1725 6.1783 7.6458 7.6628 7.7375 7.7569 7.9424 7.9599 8.1551 8.1766 8.2245 8.2281 10.4606 10.4781 10.7365 10.7483 k = 0.3250 0.5000 0.3250 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6733 -6.6727 -6.5446 -6.5445 -6.4390 -6.4376 -6.4118 -6.4112 1.2616 1.2816 1.3434 1.3574 1.4101 1.4221 1.8249 1.8307 2.6238 2.6551 2.6627 2.6773 2.7459 2.7517 2.8206 2.8259 2.8437 2.8572 2.9640 2.9830 3.1682 3.1736 3.2139 3.2193 3.8350 3.8359 3.9265 3.9616 3.9803 4.0475 4.0520 4.1044 4.1230 4.1269 4.1417 4.1515 4.4161 4.4406 4.6449 4.7047 4.7325 4.7560 4.8077 4.8145 4.8843 4.9151 4.9903 5.0540 5.9795 5.9880 6.0498 6.0610 6.1370 6.1424 7.6334 7.6511 7.7254 7.7449 7.9087 7.9272 8.1379 8.1613 8.2097 8.2151 10.5013 10.5199 10.8096 10.8211 k = 0.3125 0.5000 0.3125 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6887 -6.6882 -6.5509 -6.5508 -6.4294 -6.4280 -6.4033 -6.4027 1.2729 1.2950 1.3653 1.3794 1.4399 1.4524 1.8475 1.8546 2.6051 2.6396 2.6514 2.6622 2.7401 2.7468 2.8165 2.8242 2.8479 2.8626 2.9429 2.9626 3.1744 3.1803 3.2217 3.2281 3.8296 3.8320 3.9204 3.9571 3.9788 4.0470 4.0505 4.1061 4.1233 4.1257 4.1452 4.1569 4.4258 4.4552 4.6399 4.7018 4.7286 4.7553 4.8045 4.8116 4.8702 4.9006 5.0056 5.0725 5.9448 5.9551 6.0167 6.0263 6.1011 6.1060 7.6221 7.6403 7.7123 7.7315 7.8761 7.8953 8.1191 8.1443 8.1938 8.2010 10.5434 10.5629 10.8845 10.8958 k = 0.3000 0.5000 0.3000 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.7043 -6.7038 -6.5577 -6.5576 -6.4194 -6.4180 -6.3945 -6.3939 1.2842 1.3083 1.3876 1.4019 1.4703 1.4832 1.8696 1.8780 2.5859 2.6243 2.6387 2.6482 2.7343 2.7418 2.8119 2.8223 2.8525 2.8679 2.9229 2.9432 3.1814 3.1882 3.2300 3.2374 3.8231 3.8273 3.9153 3.9524 3.9772 4.0474 4.0483 4.1072 4.1236 4.1242 4.1494 4.1634 4.4368 4.4714 4.6354 4.6990 4.7240 4.7546 4.7998 4.8059 4.8553 4.8836 5.0216 5.0912 5.9111 5.9235 5.9852 5.9928 6.0655 6.0703 7.6117 7.6303 7.6980 7.7160 7.8459 7.8650 8.0987 8.1259 8.1769 8.1859 10.5865 10.6066 10.9606 10.9717 k = 0.2875 0.5000 0.2875 ( 6542 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.7200 -6.7194 -6.5649 -6.5648 -6.4092 -6.4077 -6.3854 -6.3848 1.2953 1.3213 1.4102 1.4246 1.5009 1.5142 1.8908 1.9008 2.5666 2.6090 2.6238 2.6362 2.7286 2.7369 2.8064 2.8197 2.8576 2.8726 2.9056 2.9257 3.1893 3.1971 3.2388 3.2473 3.8158 3.8219 3.9111 3.9475 3.9754 4.0456 4.0488 4.1080 4.1223 4.1239 4.1542 4.1709 4.4489 4.4892 4.6311 4.6963 4.7186 4.7539 4.7936 4.7965 4.8413 4.8645 5.0382 5.1101 5.8774 5.8916 5.9557 5.9609 6.0318 6.0366 7.6022 7.6212 7.6818 7.6975 7.8192 7.8374 8.0769 8.1062 8.1595 8.1701 10.6299 10.6506 11.0374 11.0482 k = 0.2750 0.5000 0.2750 ( 6548 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.7356 -6.7350 -6.5723 -6.5722 -6.3986 -6.3971 -6.3762 -6.3755 1.3059 1.3339 1.4329 1.4473 1.5316 1.5451 1.9108 1.9224 2.5474 2.5937 2.6075 2.6256 2.7230 2.7322 2.7992 2.8154 2.8631 2.8740 2.8950 2.9113 3.1982 3.2073 3.2479 3.2578 3.8080 3.8158 3.9076 3.9426 3.9735 4.0422 4.0508 4.1085 4.1200 4.1242 4.1595 4.1792 4.4621 4.5083 4.6269 4.6934 4.7120 4.7528 4.7827 4.7863 4.8299 4.8443 5.0552 5.1291 5.8422 5.8577 5.9282 5.9312 6.0012 6.0065 7.5936 7.6127 7.6631 7.6753 7.7972 7.8134 8.0539 8.0854 8.1417 8.1538 10.6732 10.6942 11.1142 11.1248 k = 0.2625 0.5000 0.2625 ( 6550 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.7512 -6.7506 -6.5800 -6.5798 -6.3879 -6.3864 -6.3668 -6.3661 1.3161 1.3458 1.4554 1.4699 1.5619 1.5757 1.9293 1.9426 2.5287 2.5786 2.5910 2.6156 2.7176 2.7275 2.7895 2.8079 2.8691 2.8704 2.8949 2.9013 3.2080 3.2186 3.2576 3.2689 3.8000 3.8091 3.9046 3.9378 3.9714 4.0383 4.0533 4.1088 4.1172 4.1244 4.1654 4.1881 4.4759 4.5282 4.6225 4.6900 4.7037 4.7510 4.7663 4.7780 4.8212 4.8243 5.0726 5.1479 5.8043 5.8200 5.9029 5.9046 5.9750 5.9811 7.5857 7.6048 7.6413 7.6496 7.7799 7.7938 8.0299 8.0638 8.1237 8.1371 10.7159 10.7371 11.1902 11.2006 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.7666 -6.7660 -6.5878 -6.5876 -6.3770 -6.3755 -6.3573 -6.3566 1.3255 1.3568 1.4777 1.4920 1.5916 1.6055 1.9461 1.9613 2.5106 2.5636 2.5747 2.6059 2.7123 2.7230 2.7772 2.7966 2.8679 2.8754 2.8961 2.8998 3.2188 3.2311 3.2677 3.2807 3.7920 3.8022 3.9020 3.9331 3.9692 4.0340 4.0560 4.1090 4.1140 4.1245 4.1717 4.1975 4.4899 4.5486 4.6170 4.6858 4.6931 4.7470 4.7499 4.7698 4.8065 4.8148 5.0902 5.1666 5.7631 5.7776 5.8800 5.8815 5.9539 5.9608 7.5786 7.5967 7.6167 7.6220 7.7667 7.7788 8.0052 8.0416 8.1058 8.1203 10.7576 10.7787 11.2649 11.2751 k = 0.2375 0.5000 0.2375 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.7817 -6.7811 -6.5957 -6.5955 -6.3661 -6.3646 -6.3477 -6.3471 1.3340 1.3667 1.4994 1.5136 1.6206 1.6345 1.9611 1.9781 2.4935 2.5488 2.5588 2.5965 2.7072 2.7186 2.7630 2.7829 2.8693 2.8820 2.8955 2.9061 3.2307 3.2447 3.2784 3.2932 3.7842 3.7950 3.8997 3.9286 3.9670 4.0291 4.0589 4.1087 4.1109 4.1246 4.1782 4.2070 4.5035 4.5687 4.6093 4.6796 4.6800 4.7363 4.7390 4.7626 4.7939 4.8104 5.1079 5.1848 5.7186 5.7310 5.8595 5.8619 5.9377 5.9453 7.5717 7.5829 7.5902 7.5990 7.7568 7.7680 7.9801 8.0192 8.0881 8.1035 10.7977 10.8186 11.3373 11.3471 k = 0.2250 0.5000 0.2250 ( 6548 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6022 -31.7745 -31.7745 -31.7743 -31.7743 -6.7965 -6.7960 -6.6036 -6.6035 -6.3551 -6.3536 -6.3382 -6.3376 1.3416 1.3753 1.5204 1.5343 1.6484 1.6622 1.9741 1.9931 2.4777 2.5343 2.5437 2.5874 2.7021 2.7144 2.7480 2.7685 2.8736 2.8888 2.8985 2.9129 3.2437 3.2596 3.2897 3.3066 3.7767 3.7876 3.8974 3.9243 3.9647 4.0239 4.0617 4.1053 4.1104 4.1248 4.1848 4.2163 4.5159 4.5877 4.5978 4.6660 4.6701 4.7265 4.7282 4.7556 4.7890 4.8084 5.1255 5.2025 5.6715 5.6814 5.8415 5.8453 5.9257 5.9339 7.5555 7.5583 7.5694 7.5893 7.7491 7.7606 7.9549 7.9971 8.0708 8.0869 10.8359 10.8565 11.4064 11.4157 k = 0.2125 0.5000 0.2125 ( 6556 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7745 -31.7745 -31.7743 -31.7743 -6.8110 -6.8104 -6.6115 -6.6114 -6.3443 -6.3428 -6.3287 -6.3281 1.3480 1.3826 1.5406 1.5540 1.6750 1.6885 1.9852 2.0062 2.4634 2.5203 2.5294 2.5784 2.6971 2.7101 2.7333 2.7546 2.8799 2.8957 2.9044 2.9199 3.2578 3.2754 3.3017 3.3208 3.7697 3.7803 3.8953 3.9202 3.9624 4.0184 4.0642 4.1006 4.1110 4.1248 4.1913 4.2250 4.5262 4.5812 4.6046 4.6532 4.6563 4.7179 4.7208 4.7494 4.7904 4.8091 5.1429 5.2194 5.6223 5.6294 5.8260 5.8316 5.9172 5.9258 7.5250 7.5304 7.5628 7.5833 7.7429 7.7560 7.9299 7.9757 8.0540 8.0706 10.8719 10.8919 11.4713 11.4797 k = 0.2000 0.5000 0.2000 ( 6542 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7743 -31.7743 -6.8250 -6.8244 -6.6193 -6.6192 -6.3335 -6.3321 -6.3194 -6.3188 1.3532 1.3883 1.5596 1.5725 1.7001 1.7132 1.9945 2.0173 2.4507 2.5072 2.5163 2.5698 2.6919 2.7060 2.7199 2.7419 2.8877 2.9028 2.9122 2.9270 3.2730 3.2922 3.3144 3.3361 3.7631 3.7730 3.8931 3.9164 3.9602 4.0128 4.0665 4.0952 4.1120 4.1249 4.1972 4.2327 4.5333 4.5599 4.6169 4.6389 4.6435 4.7096 4.7192 4.7454 4.7963 4.8131 5.1600 5.2353 5.5718 5.5760 5.8132 5.8208 5.9115 5.9204 7.4944 7.5012 7.5582 7.5783 7.7376 7.7535 7.9057 7.9554 8.0379 8.0548 10.9055 10.9247 11.5306 11.5374 k = 0.1875 0.5000 0.1875 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8384 -6.8379 -6.6269 -6.6268 -6.3230 -6.3216 -6.3103 -6.3097 1.3572 1.3923 1.5773 1.5895 1.7234 1.7360 2.0021 2.0266 2.4397 2.4951 2.5043 2.5614 2.6862 2.7017 2.7087 2.7307 2.8964 2.9100 2.9210 2.9341 3.2894 3.3098 3.3278 3.3525 3.7571 3.7659 3.8908 3.9128 3.9580 4.0071 4.0683 4.0895 4.1133 4.1249 4.2024 4.2390 4.5354 4.5354 4.6171 4.6201 4.6433 4.7037 4.7214 4.7444 4.8052 4.8205 5.1766 5.2498 5.5206 5.5218 5.8032 5.8130 5.9080 5.9171 7.4645 7.4722 7.5542 7.5739 7.7327 7.7522 7.8828 7.9368 8.0224 8.0395 10.9363 10.9548 11.5826 11.5871 k = 0.1750 0.5000 0.1750 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8513 -6.8508 -6.6344 -6.6342 -6.3128 -6.3114 -6.3014 -6.3008 1.3599 1.3948 1.5936 1.6051 1.7450 1.7569 2.0081 2.0341 2.4307 2.4844 2.4935 2.5535 2.6800 2.6973 2.7001 2.7213 2.9056 2.9174 2.9303 2.9411 3.3067 3.3280 3.3422 3.3700 3.7515 3.7590 3.8884 3.9095 3.9561 4.0017 4.0696 4.0835 4.1150 4.1249 4.2064 4.2435 4.5092 4.5313 4.6024 4.6060 4.6518 4.7008 4.7268 4.7461 4.8168 4.8312 5.1923 5.2628 5.4672 5.4693 5.7961 5.8081 5.9061 5.9154 7.4358 7.4439 7.5509 7.5700 7.7277 7.7511 7.8622 7.9204 8.0079 8.0249 10.9643 10.9819 11.6248 11.6259 k = 0.1625 0.5000 0.1625 ( 6546 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8636 -6.8631 -6.6415 -6.6414 -6.3028 -6.3015 -6.2928 -6.2922 1.3615 1.3956 1.6084 1.6190 1.7647 1.7757 2.0126 2.0399 2.4235 2.4755 2.4840 2.5463 2.6735 2.6928 2.6938 2.7136 2.9149 2.9249 2.9397 2.9479 3.3249 3.3467 3.3576 3.3885 3.7462 3.7522 3.8858 3.9064 3.9545 3.9967 4.0701 4.0776 4.1169 4.1246 4.2089 4.2459 4.4822 4.5202 4.5870 4.5916 4.6617 4.7015 4.7344 4.7498 4.8304 4.8443 5.2068 5.2738 5.4128 5.4185 5.7921 5.8064 5.9056 5.9150 7.4083 7.4166 7.5480 7.5664 7.7220 7.7489 7.8453 7.9068 7.9944 8.0110 10.9895 11.0061 11.6501 11.6534 k = 0.1500 0.5000 0.1500 ( 6558 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8752 -6.8747 -6.6483 -6.6482 -6.2933 -6.2921 -6.2846 -6.2840 1.3620 1.3950 1.6216 1.6313 1.7824 1.7926 2.0159 2.0440 2.4181 2.4687 2.4758 2.5398 2.6675 2.6883 2.6893 2.7076 2.9242 2.9324 2.9487 2.9544 3.3439 3.3659 3.3739 3.4079 3.7410 3.7454 3.8832 3.9034 3.9531 3.9922 4.0680 4.0737 4.1191 4.1242 4.2095 4.2459 4.4549 4.5032 4.5739 4.5760 4.6720 4.7060 4.7439 4.7551 4.8455 4.8590 5.2196 5.2825 5.3590 5.3686 5.7913 5.8077 5.9060 5.9155 7.3823 7.3906 7.5456 7.5631 7.7153 7.7439 7.8336 7.8961 7.9819 7.9981 11.0118 11.0274 11.6548 11.6622 k = 0.1375 0.5000 0.1375 ( 6552 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8860 -6.8856 -6.6548 -6.6547 -6.2843 -6.2831 -6.2768 -6.2763 1.3615 1.3930 1.6331 1.6418 1.7982 1.8074 2.0182 2.0465 2.4143 2.4641 2.4687 2.5342 2.6625 2.6839 2.6858 2.7028 2.9332 2.9398 2.9573 2.9606 3.3634 3.3855 3.3913 3.4279 3.7358 3.7388 3.8806 3.9007 3.9523 3.9884 4.0624 4.0728 4.1216 4.1235 4.2082 4.2436 4.4279 4.4826 4.5602 4.5619 4.6827 4.7143 4.7550 4.7617 4.8616 4.8743 5.2302 5.2885 5.3064 5.3203 5.7938 5.8121 5.9072 5.9168 7.3579 7.3660 7.5436 7.5600 7.7074 7.7348 7.8282 7.8886 7.9707 7.9861 11.0313 11.0458 11.6361 11.6448 k = 0.1250 0.5000 0.1250 ( 6552 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.8961 -6.8957 -6.6609 -6.6608 -6.2758 -6.2747 -6.2694 -6.2690 1.3602 1.3898 1.6430 1.6507 1.8121 1.8203 2.0195 2.0475 2.4120 2.4618 2.4626 2.5296 2.6586 2.6798 2.6832 2.6991 2.9418 2.9469 2.9651 2.9665 3.3832 3.4054 3.4096 3.4483 3.7303 3.7322 3.8782 3.8982 3.9520 3.9855 4.0562 4.0723 4.1223 4.1241 4.2048 4.2391 4.4011 4.4600 4.5446 4.5503 4.6939 4.7258 4.7677 4.7694 4.8781 4.8892 5.2370 5.2545 5.2751 5.2926 5.7996 5.8193 5.9090 5.9186 7.3353 7.3430 7.5419 7.5572 7.6984 7.7224 7.8285 7.8839 7.9608 7.9751 11.0481 11.0616 11.5950 11.6020 k = 0.1125 0.5000 0.1125 ( 6552 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7742 -31.7742 -6.9053 -6.9050 -6.6665 -6.6664 -6.2679 -6.2669 -6.2626 -6.2622 1.3583 1.3858 1.6513 1.6580 1.8242 1.8313 2.0202 2.0472 2.4110 2.4575 2.4617 2.5260 2.6558 2.6762 2.6811 2.6960 2.9498 2.9537 2.9719 2.9721 3.4033 3.4256 3.4288 3.4686 3.7243 3.7255 3.8763 3.8960 3.9524 3.9835 4.0501 4.0715 4.1206 4.1266 4.1996 4.2329 4.3750 4.4365 4.5299 4.5391 4.7057 4.7398 4.7781 4.7819 4.8943 4.9031 5.2049 5.2217 5.2516 5.2934 5.8084 5.8289 5.9111 5.9208 7.3145 7.3217 7.5407 7.5547 7.6886 7.7082 7.8325 7.8815 7.9523 7.9653 11.0622 11.0749 11.5381 11.5426 k = 0.1000 0.5000 0.1000 ( 6554 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9137 -6.9134 -6.6716 -6.6715 -6.2607 -6.2598 -6.2564 -6.2560 1.3561 1.3810 1.6582 1.6639 1.8346 1.8407 2.0203 2.0457 2.4111 2.4532 2.4637 2.5234 2.6539 2.6729 2.6796 2.6935 2.9572 2.9600 2.9768 2.9782 3.4236 3.4460 3.4485 3.4883 3.7174 3.7185 3.8751 3.8939 3.9535 3.9825 4.0443 4.0701 4.1180 4.1286 4.1932 4.2257 4.3496 4.4127 4.5165 4.5283 4.7181 4.7556 4.7882 4.7973 4.9098 4.9155 5.1573 5.1819 5.2524 5.2917 5.8198 5.8401 5.9136 5.9234 7.2956 7.3022 7.5397 7.5523 7.6785 7.6936 7.8387 7.8807 7.9456 7.9568 11.0739 11.0858 11.4732 11.4759 k = 0.0875 0.5000 0.0875 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9211 -6.9209 -6.6762 -6.6761 -6.2542 -6.2534 -6.2508 -6.2504 1.3536 1.3759 1.6637 1.6686 1.8434 1.8486 2.0202 2.0435 2.4121 2.4495 2.4673 2.5214 2.6528 2.6700 2.6785 2.6914 2.9639 2.9660 2.9812 2.9834 3.4438 3.4664 3.4683 3.5071 3.7095 3.7111 3.8748 3.8920 3.9557 3.9825 4.0389 4.0680 4.1145 4.1295 4.1866 4.2183 4.3254 4.3890 4.5048 4.5181 4.7313 4.7722 4.7997 4.8136 4.9241 4.9260 5.1122 5.1424 5.2532 5.2877 5.8332 5.8522 5.9164 5.9263 7.2788 7.2846 7.5390 7.5500 7.6684 7.6797 7.8458 7.8807 7.9406 7.9496 11.0832 11.0945 11.4064 11.4086 k = 0.0750 0.5000 0.0750 ( 6534 PWs) bands (ev): -58.2014 -58.2014 -32.6022 -32.6022 -31.7744 -31.7744 -31.7741 -31.7741 -6.9277 -6.9274 -6.6802 -6.6801 -6.2484 -6.2478 -6.2458 -6.2455 1.3513 1.3706 1.6681 1.6721 1.8507 1.8550 2.0199 2.0406 2.4138 2.4463 2.4722 2.5199 2.6523 2.6675 2.6779 2.6896 2.9699 2.9713 2.9850 2.9877 3.4640 3.4865 3.4878 3.5244 3.7005 3.7032 3.8755 3.8904 3.9591 3.9835 4.0340 4.0649 4.1099 4.1278 4.1819 4.2113 4.3027 4.3656 4.4949 4.5086 4.7454 4.7889 4.8128 4.8298 4.9342 4.9368 5.0700 5.1057 5.2522 5.2818 5.8474 5.8642 5.9194 5.9296 7.2640 7.2691 7.5386 7.5480 7.6589 7.6669 7.8530 7.8808 7.9374 7.9439 11.0903 11.1012 11.3423 11.3448 k = 0.0625 0.5000 0.0625 ( 6538 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9332 -6.9330 -6.6837 -6.6836 -6.2435 -6.2429 -6.2416 -6.2413 1.3491 1.3654 1.6715 1.6746 1.8567 1.8601 2.0197 2.0374 2.4160 2.4434 2.4780 2.5186 2.6523 2.6652 2.6777 2.6880 2.9751 2.9760 2.9882 2.9910 3.4839 3.5058 3.5065 3.5398 3.6904 3.6947 3.8768 3.8890 3.9640 3.9854 4.0294 4.0607 4.1044 4.1224 4.1808 4.2056 4.2821 4.3426 4.4868 4.5000 4.7606 4.8051 4.8275 4.8453 4.9397 4.9470 5.0314 5.0724 5.2499 5.2746 5.8615 5.8752 5.9229 5.9333 7.2514 7.2557 7.5383 7.5461 7.6502 7.6556 7.8596 7.8807 7.9359 7.9398 11.0952 11.1059 11.2842 11.2876 k = 0.0500 0.5000 0.0500 ( 6522 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9378 -6.9376 -6.6865 -6.6865 -6.2394 -6.2390 -6.2380 -6.2377 1.3474 1.3606 1.6740 1.6764 1.8615 1.8641 2.0196 2.0341 2.4186 2.4407 2.4841 2.5172 2.6527 2.6631 2.6780 2.6865 2.9795 2.9801 2.9908 2.9935 3.5031 3.5237 3.5239 3.5529 3.6797 3.6857 3.8785 3.8878 3.9707 3.9884 4.0251 4.0553 4.0982 4.1135 4.1838 4.2015 4.2643 4.3204 4.4807 4.4925 4.7771 4.8207 4.8431 4.8591 4.9420 4.9521 4.9990 5.0435 5.2469 5.2668 5.8742 5.8843 5.9269 5.9371 7.2410 7.2444 7.5383 7.5445 7.6426 7.6461 7.8651 7.8801 7.9357 7.9373 11.0980 11.1087 11.2345 11.2392 k = 0.0375 0.5000 0.0375 ( 6514 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9414 -6.9413 -6.6887 -6.6887 -6.2362 -6.2359 -6.2352 -6.2349 1.3463 1.3562 1.6759 1.6776 1.8651 1.8671 2.0199 2.0308 2.4214 2.4381 2.4903 2.5155 2.6533 2.6612 2.6785 2.6851 2.9831 2.9833 2.9928 2.9952 3.5211 3.5391 3.5394 3.5632 3.6691 3.6764 3.8804 3.8869 3.9791 3.9925 4.0207 4.0484 4.0922 4.1032 4.1896 4.1993 4.2502 4.2993 4.4765 4.4860 4.7951 4.8358 4.8585 4.8699 4.9400 4.9423 4.9829 5.0204 5.2440 5.2590 5.8845 5.8912 5.9315 5.9407 7.2329 7.2355 7.5384 7.5430 7.6365 7.6386 7.8693 7.8792 7.9361 7.9362 11.0987 11.1092 11.1956 11.2014 k = 0.0250 0.5000 0.0250 ( 6514 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9439 -6.9439 -6.6904 -6.6903 -6.2339 -6.2338 -6.2331 -6.2329 1.3458 1.3525 1.6772 1.6783 1.8677 1.8690 2.0205 2.0279 2.4243 2.4355 2.4962 2.5132 2.6542 2.6595 2.6792 2.6838 2.9857 2.9858 2.9944 2.9961 3.5370 3.5506 3.5528 3.5703 3.6598 3.6671 3.8821 3.8861 3.9888 3.9980 4.0160 4.0397 4.0872 4.0936 4.1962 4.1987 4.2414 4.2797 4.4741 4.4808 4.8147 4.8502 4.8726 4.8767 4.9182 4.9324 4.9828 5.0044 5.2418 5.2519 5.8918 5.8956 5.9363 5.9434 7.2272 7.2290 7.5387 7.5417 7.6321 7.6332 7.8723 7.8781 7.9360 7.9366 11.0977 11.1066 11.1694 11.1753 k = 0.0125 0.5000 0.0125 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9455 -6.9454 -6.6913 -6.6913 -6.2326 -6.2325 -6.2317 -6.2316 1.3462 1.3495 1.6780 1.6786 1.8694 1.8700 2.0216 2.0254 2.4272 2.4328 2.5016 2.5101 2.6552 2.6579 2.6801 2.6825 2.9873 2.9873 2.9954 2.9964 3.5491 3.5564 3.5636 3.5734 3.6539 3.6588 3.8834 3.8853 3.9978 4.0063 4.0107 4.0292 4.0839 4.0867 4.1995 4.2005 4.2404 4.2623 4.4735 4.4769 4.8358 4.8618 4.8787 4.8805 4.8990 4.9200 4.9860 4.9951 5.2412 5.2463 5.8962 5.8979 5.9406 5.9445 7.2240 7.2248 7.5392 7.5407 7.6293 7.6298 7.8743 7.8770 7.9364 7.9369 11.0965 11.1016 11.1565 11.1601 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6021 -32.6021 -31.7744 -31.7744 -31.7741 -31.7741 -6.9460 -6.9460 -6.6916 -6.6916 -6.2321 -6.2321 -6.2313 -6.2313 1.3474 1.3474 1.6785 1.6785 1.8701 1.8701 2.0233 2.0233 2.4300 2.4300 2.5063 2.5063 2.6565 2.6565 2.6813 2.6813 2.9879 2.9879 2.9961 2.9961 3.5559 3.5559 3.5711 3.5711 3.6537 3.6537 3.8844 3.8844 4.0048 4.0048 4.0175 4.0175 4.0836 4.0836 4.2008 4.2008 4.2483 4.2483 4.4744 4.4744 4.8570 4.8570 4.8763 4.8763 4.9062 4.9062 4.9898 4.9898 5.2426 5.2426 5.8981 5.8981 5.9435 5.9435 7.2232 7.2232 7.5398 7.5398 7.6286 7.6286 7.8758 7.8758 7.9368 7.9368 11.0974 11.0974 11.1541 11.1541 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6580 -6.6580 -6.5295 -6.5295 -6.5256 -6.5256 -6.3950 -6.3950 1.5313 1.5313 1.5785 1.5785 1.6298 1.6298 2.2866 2.2866 2.4754 2.4754 2.5448 2.5448 2.5462 2.5462 2.6910 2.6910 2.7663 2.7663 2.9547 2.9547 3.1148 3.1148 3.1449 3.1449 3.8662 3.8662 3.9543 3.9543 3.9567 3.9567 4.0905 4.0905 4.1430 4.1430 4.2117 4.2117 4.3845 4.3845 4.6359 4.6359 4.7250 4.7250 4.8216 4.8216 4.8513 4.8513 5.0216 5.0216 5.5435 5.5435 5.5674 5.5674 6.2037 6.2037 7.4824 7.4824 7.5080 7.5080 7.9284 7.9284 8.0490 8.0490 8.0966 8.0966 11.4339 11.4339 11.4378 11.4378 k = 0.5000 0.5000 0.0172 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6577 -6.6577 -6.5294 -6.5294 -6.5256 -6.5256 -6.3951 -6.3951 1.5300 1.5300 1.5769 1.5769 1.6280 1.6280 2.2807 2.2807 2.4784 2.4784 2.5429 2.5429 2.5515 2.5515 2.6913 2.6913 2.7684 2.7684 2.9545 2.9545 3.1149 3.1149 3.1450 3.1450 3.8665 3.8665 3.9543 3.9543 3.9565 3.9565 4.0906 4.0906 4.1428 4.1428 4.2109 4.2109 4.3844 4.3844 4.6342 4.6342 4.7276 4.7276 4.8222 4.8222 4.8525 4.8525 5.0213 5.0213 5.5451 5.5451 5.5688 5.5688 6.2043 6.2043 7.4738 7.4738 7.5187 7.5187 7.9282 7.9282 8.0497 8.0497 8.0973 8.0973 11.4307 11.4307 11.4346 11.4346 k = 0.5000 0.5000 0.0345 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6570 -6.6570 -6.5293 -6.5293 -6.5254 -6.5254 -6.3955 -6.3955 1.5263 1.5263 1.5721 1.5721 1.6227 1.6227 2.2643 2.2643 2.4862 2.4862 2.5436 2.5436 2.5607 2.5607 2.6918 2.6918 2.7746 2.7746 2.9538 2.9538 3.1152 3.1152 3.1451 3.1451 3.8674 3.8674 3.9542 3.9542 3.9560 3.9560 4.0910 4.0910 4.1423 4.1423 4.2084 4.2084 4.3843 4.3843 4.6298 4.6298 4.7348 4.7348 4.8238 4.8238 4.8558 4.8558 5.0203 5.0203 5.5501 5.5501 5.5732 5.5732 6.2061 6.2061 7.4604 7.4604 7.5385 7.5385 7.9274 7.9274 8.0517 8.0517 8.0995 8.0995 11.4212 11.4212 11.4249 11.4249 k = 0.5000 0.5000 0.0517 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6557 -6.6557 -6.5290 -6.5290 -6.5252 -6.5252 -6.3961 -6.3961 1.5202 1.5202 1.5641 1.5641 1.6140 1.6140 2.2402 2.2402 2.4969 2.4969 2.5473 2.5473 2.5725 2.5725 2.6928 2.6928 2.7847 2.7847 2.9525 2.9525 3.1157 3.1157 3.1453 3.1453 3.8688 3.8688 3.9530 3.9530 3.9563 3.9563 4.0915 4.0915 4.1415 4.1415 4.2044 4.2044 4.3841 4.3841 4.6239 4.6239 4.7452 4.7452 4.8266 4.8266 4.8609 4.8609 5.0187 5.0187 5.5584 5.5584 5.5806 5.5806 6.2091 6.2091 7.4482 7.4482 7.5613 7.5613 7.9262 7.9262 8.0550 8.0550 8.1030 8.1030 11.4054 11.4054 11.4087 11.4087 k = 0.5000 0.5000 0.0690 ( 6532 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6540 -6.6540 -6.5286 -6.5286 -6.5248 -6.5248 -6.3970 -6.3970 1.5118 1.5118 1.5533 1.5533 1.6022 1.6022 2.2111 2.2111 2.5091 2.5091 2.5535 2.5535 2.5860 2.5860 2.6940 2.6940 2.7984 2.7984 2.9508 2.9508 3.1163 3.1163 3.1456 3.1456 3.8708 3.8708 3.9510 3.9510 3.9571 3.9571 4.0923 4.0923 4.1404 4.1404 4.1992 4.1992 4.3839 4.3839 4.6175 4.6175 4.7575 4.7575 4.8306 4.8306 4.8670 4.8670 5.0166 5.0166 5.5703 5.5703 5.5912 5.5912 6.2133 6.2133 7.4381 7.4381 7.5864 7.5864 7.9246 7.9246 8.0596 8.0596 8.1079 8.1079 11.3830 11.3830 11.3860 11.3860 k = 0.5000 0.5000 0.0862 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6518 -6.6518 -6.5282 -6.5282 -6.5244 -6.5244 -6.3982 -6.3982 1.5012 1.5012 1.5399 1.5399 1.5876 1.5876 2.1789 2.1789 2.5222 2.5222 2.5618 2.5618 2.6002 2.6002 2.6955 2.6955 2.8152 2.8152 2.9487 2.9487 3.1172 3.1172 3.1460 3.1460 3.8730 3.8730 3.9486 3.9486 3.9582 3.9582 4.0932 4.0932 4.1391 4.1391 4.1929 4.1929 4.3836 4.3836 4.6114 4.6114 4.7708 4.7708 4.8355 4.8355 4.8737 4.8737 5.0138 5.0138 5.5859 5.5859 5.6052 5.6052 6.2186 6.2186 7.4303 7.4303 7.6135 7.6135 7.9225 7.9225 8.0654 8.0654 8.1141 8.1141 11.3542 11.3542 11.3569 11.3569 k = 0.5000 0.5000 0.1034 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6491 -6.6491 -6.5276 -6.5276 -6.5239 -6.5239 -6.3996 -6.3996 1.4887 1.4887 1.5243 1.5243 1.5705 1.5705 2.1447 2.1447 2.5360 2.5360 2.5719 2.5719 2.6147 2.6147 2.6973 2.6973 2.8346 2.8346 2.9461 2.9461 3.1182 3.1182 3.1464 3.1464 3.8754 3.8754 3.9461 3.9461 3.9596 3.9596 4.0942 4.0942 4.1376 4.1376 4.1859 4.1859 4.3834 4.3834 4.6061 4.6061 4.7841 4.7841 4.8413 4.8413 4.8801 4.8801 5.0105 5.0105 5.6053 5.6053 5.6228 5.6228 6.2249 6.2249 7.4250 7.4250 7.6423 7.6423 7.9200 7.9200 8.0723 8.0723 8.1213 8.1213 11.3189 11.3189 11.3214 11.3214 k = 0.5000 0.5000 0.1207 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6459 -6.6459 -6.5270 -6.5270 -6.5234 -6.5234 -6.4013 -6.4013 1.4744 1.4744 1.5066 1.5066 1.5513 1.5513 2.1095 2.1095 2.5504 2.5504 2.5834 2.5834 2.6290 2.6290 2.6994 2.6994 2.8557 2.8557 2.9431 2.9431 3.1193 3.1193 3.1469 3.1469 3.8776 3.8776 3.9439 3.9439 3.9612 3.9612 4.0954 4.0954 4.1361 4.1361 4.1786 4.1786 4.3832 4.3832 4.6019 4.6019 4.7964 4.7964 4.8482 4.8482 4.8858 4.8858 5.0068 5.0068 5.6286 5.6286 5.6441 5.6441 6.2323 6.2323 7.4225 7.4225 7.6727 7.6727 7.9170 7.9170 8.0801 8.0801 8.1297 8.1297 11.2771 11.2771 11.2799 11.2799 k = 0.5000 0.5000 0.1379 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6423 -6.6423 -6.5263 -6.5263 -6.5227 -6.5227 -6.4033 -6.4033 1.4585 1.4585 1.4874 1.4874 1.5305 1.5305 2.0739 2.0739 2.5653 2.5653 2.5960 2.5960 2.6430 2.6430 2.7018 2.7018 2.8778 2.8778 2.9400 2.9400 3.1206 3.1206 3.1474 3.1474 3.8794 3.8794 3.9423 3.9423 3.9629 3.9629 4.0967 4.0967 4.1346 4.1346 4.1711 4.1711 4.3831 4.3831 4.5990 4.5990 4.8068 4.8068 4.8562 4.8562 4.8902 4.8902 5.0026 5.0026 5.6557 5.6557 5.6695 5.6695 6.2405 6.2405 7.4227 7.4227 7.7047 7.7047 7.9137 7.9137 8.0889 8.0889 8.1389 8.1389 11.2293 11.2293 11.2327 11.2327 k = 0.5000 0.5000 0.1552 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6383 -6.6383 -6.5255 -6.5255 -6.5220 -6.5220 -6.4055 -6.4055 1.4413 1.4413 1.4670 1.4670 1.5083 1.5083 2.0383 2.0383 2.5806 2.5806 2.6094 2.6094 2.6567 2.6567 2.7045 2.7045 2.8999 2.8999 2.9369 2.9369 3.1221 3.1221 3.1480 3.1480 3.8803 3.8803 3.9419 3.9419 3.9648 3.9648 4.0979 4.0979 4.1331 4.1331 4.1637 4.1637 4.3830 4.3830 4.5974 4.5974 4.8144 4.8144 4.8655 4.8655 4.8932 4.8932 4.9981 4.9981 5.6865 5.6865 5.6988 5.6988 6.2496 6.2496 7.4257 7.4257 7.7379 7.7379 7.9100 7.9100 8.0983 8.0983 8.1488 8.1488 11.1759 11.1759 11.1803 11.1803 k = 0.5000 0.5000 0.1724 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6339 -6.6339 -6.5247 -6.5247 -6.5213 -6.5213 -6.4080 -6.4080 1.4231 1.4231 1.4456 1.4456 1.4852 1.4852 2.0030 2.0030 2.5961 2.5961 2.6232 2.6232 2.6701 2.6701 2.7075 2.7075 2.9188 2.9188 2.9366 2.9366 3.1237 3.1237 3.1485 3.1485 3.8801 3.8801 3.9428 3.9428 3.9667 3.9667 4.0992 4.0992 4.1317 4.1317 4.1565 4.1565 4.3829 4.3829 4.5973 4.5973 4.8192 4.8192 4.8758 4.8758 4.8943 4.8943 4.9933 4.9933 5.7207 5.7207 5.7322 5.7322 6.2594 6.2594 7.4317 7.4317 7.7724 7.7724 7.9059 7.9059 8.1083 8.1083 8.1593 8.1593 11.1177 11.1177 11.1233 11.1233 k = 0.5000 0.5000 0.1897 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7743 -31.7743 -6.6291 -6.6291 -6.5238 -6.5238 -6.5205 -6.5205 -6.4108 -6.4108 1.4040 1.4040 1.4237 1.4237 1.4615 1.4615 1.9683 1.9683 2.6117 2.6117 2.6373 2.6373 2.6833 2.6833 2.7109 2.7109 2.9231 2.9231 2.9503 2.9503 3.1254 3.1254 3.1492 3.1492 3.8789 3.8789 3.9452 3.9452 3.9686 3.9686 4.1005 4.1005 4.1302 4.1302 4.1500 4.1500 4.3829 4.3829 4.5988 4.5988 4.8212 4.8212 4.8864 4.8864 4.8937 4.8937 4.9882 4.9882 5.7579 5.7579 5.7696 5.7696 6.2698 6.2698 7.4407 7.4407 7.8077 7.8077 7.9016 7.9016 8.1187 8.1187 8.1702 8.1702 11.0554 11.0554 11.0624 11.0624 k = 0.5000 0.5000 0.2069 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6239 -6.6239 -6.5229 -6.5229 -6.5196 -6.5196 -6.4138 -6.4138 1.3844 1.3844 1.4015 1.4015 1.4374 1.4374 1.9346 1.9346 2.6273 2.6273 2.6513 2.6513 2.6960 2.6960 2.7146 2.7146 2.9196 2.9196 2.9707 2.9707 3.1271 3.1271 3.1498 3.1498 3.8766 3.8766 3.9490 3.9490 3.9706 3.9706 4.1017 4.1017 4.1286 4.1286 4.1443 4.1443 4.3828 4.3828 4.6017 4.6017 4.8209 4.8209 4.8913 4.8913 4.8965 4.8965 4.9830 4.9830 5.7977 5.7977 5.8107 5.8107 6.2807 6.2807 7.4527 7.4527 7.8438 7.8438 7.8971 7.8971 8.1293 8.1293 8.1813 8.1813 10.9900 10.9900 10.9983 10.9983 k = 0.5000 0.5000 0.2241 ( 6528 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6184 -6.6184 -6.5219 -6.5219 -6.5188 -6.5188 -6.4172 -6.4172 1.3643 1.3643 1.3794 1.3794 1.4134 1.4134 1.9019 1.9019 2.6426 2.6426 2.6652 2.6652 2.7081 2.7081 2.7190 2.7190 2.9149 2.9149 2.9912 2.9912 3.1290 3.1290 3.1504 3.1504 3.8736 3.8736 3.9539 3.9539 3.9725 3.9725 4.1026 4.1026 4.1267 4.1267 4.1398 4.1398 4.3827 4.3827 4.6062 4.6062 4.8188 4.8188 4.8872 4.8872 4.9056 4.9056 4.9778 4.9778 5.8398 5.8398 5.8549 5.8549 6.2920 6.2920 7.4677 7.4677 7.8802 7.8802 7.8924 7.8924 8.1401 8.1401 8.1924 8.1924 10.9223 10.9223 10.9319 10.9319 k = 0.5000 0.5000 0.2414 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6125 -6.6125 -6.5210 -6.5210 -6.5179 -6.5179 -6.4208 -6.4208 1.3441 1.3441 1.3576 1.3576 1.3896 1.3896 1.8705 1.8705 2.6577 2.6577 2.6787 2.6787 2.7186 2.7186 2.7251 2.7251 2.9096 2.9096 3.0108 3.0108 3.1309 3.1309 3.1510 3.1510 3.8701 3.8701 3.9596 3.9596 3.9745 3.9745 4.1031 4.1031 4.1244 4.1244 4.1367 4.1367 4.3826 4.3826 4.6121 4.6121 4.8151 4.8151 4.8817 4.8817 4.9132 4.9132 4.9727 4.9727 5.8839 5.8839 5.9016 5.9016 6.3035 6.3035 7.4857 7.4857 7.8873 7.8873 7.9170 7.9170 8.1507 8.1507 8.2033 8.2033 10.8532 10.8532 10.8642 10.8642 k = 0.5000 0.5000 0.2586 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6064 -6.6064 -6.5200 -6.5200 -6.5170 -6.5170 -6.4246 -6.4246 1.3239 1.3239 1.3364 1.3364 1.3663 1.3663 1.8406 1.8406 2.6723 2.6723 2.6916 2.6916 2.7256 2.7256 2.7347 2.7347 2.9040 2.9040 3.0293 3.0293 3.1328 3.1328 3.1517 3.1517 3.8664 3.8664 3.9657 3.9657 3.9765 3.9765 4.1028 4.1028 4.1224 4.1224 4.1348 4.1348 4.3824 4.3824 4.6193 4.6193 4.8103 4.8103 4.8750 4.8750 4.9189 4.9189 4.9678 4.9678 5.9295 5.9295 5.9501 5.9501 6.3152 6.3152 7.5064 7.5064 7.8822 7.8822 7.9532 7.9532 8.1612 8.1612 8.2139 8.2139 10.7837 10.7837 10.7960 10.7960 k = 0.5000 0.5000 0.2759 ( 6536 PWs) bands (ev): -58.2014 -58.2014 -32.6023 -32.6023 -31.7745 -31.7745 -31.7744 -31.7744 -6.6000 -6.6000 -6.5190 -6.5190 -6.5161 -6.5161 -6.4288 -6.4288 1.3041 1.3041 1.3160 1.3160 1.3437 1.3437 1.8122 1.8122 2.6863 2.6863 2.7036 2.7036 2.7315 2.7315 2.7455 2.7455 2.8981 2.8981 3.0465 3.0465 3.1347 3.1347 3.1523 3.1523 3.8628 3.8628 3.9717 3.9717 3.9791 3.9791 4.1016 4.1016 4.1212 4.1212 4.1337 4.1337 4.3822 4.3822 4.6277 4.6277 4.8045 4.8045 4.8672 4.8672 4.9223 4.9223 4.9635 4.9635 5.9760 5.9760 5.9998 5.9998 6.3270 6.3270 7.5297 7.5297 7.8772 7.8772 7.9887 7.9887 8.1714 8.1714 8.2239 8.2239 10.7147 10.7147 10.7281 10.7281 k = 0.5000 0.5000 0.2931 ( 6540 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7744 -31.7744 -6.5934 -6.5934 -6.5180 -6.5180 -6.5153 -6.5153 -6.4332 -6.4332 1.2847 1.2847 1.2966 1.2966 1.3220 1.3220 1.7854 1.7854 2.6997 2.6997 2.7146 2.7146 2.7378 2.7378 2.7561 2.7561 2.8921 2.8921 3.0625 3.0625 3.1366 3.1366 3.1530 3.1530 3.8592 3.8592 3.9761 3.9761 3.9834 3.9834 4.0995 4.0995 4.1209 4.1209 4.1331 4.1331 4.3819 4.3819 4.6371 4.6371 4.7981 4.7981 4.8588 4.8588 4.9235 4.9235 4.9596 4.9596 6.0230 6.0230 6.0501 6.0501 6.3387 6.3387 7.5554 7.5554 7.8721 7.8721 8.0230 8.0230 8.1812 8.1812 8.2332 8.2332 10.6469 10.6469 10.6614 10.6614 k = 0.5000 0.5000 0.3103 ( 6544 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5865 -6.5865 -6.5171 -6.5171 -6.5145 -6.5145 -6.4379 -6.4379 1.2661 1.2661 1.2782 1.2782 1.3013 1.3013 1.7605 1.7605 2.7123 2.7123 2.7241 2.7241 2.7449 2.7449 2.7662 2.7662 2.8859 2.8859 3.0770 3.0770 3.1384 3.1384 3.1536 3.1536 3.8558 3.8558 3.9785 3.9785 3.9897 3.9897 4.0968 4.0968 4.1214 4.1214 4.1327 4.1327 4.3816 4.3816 4.6474 4.6474 4.7913 4.7913 4.8499 4.8499 4.9227 4.9227 4.9561 4.9561 6.0697 6.0697 6.1001 6.1001 6.3502 6.3502 7.5831 7.5831 7.8671 7.8671 8.0554 8.0554 8.1906 8.1906 8.2416 8.2416 10.5813 10.5813 10.5967 10.5967 k = 0.5000 0.5000 0.3276 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5795 -6.5795 -6.5162 -6.5162 -6.5137 -6.5137 -6.4429 -6.4429 1.2484 1.2484 1.2612 1.2612 1.2819 1.2819 1.7374 1.7374 2.7240 2.7240 2.7322 2.7322 2.7527 2.7527 2.7757 2.7757 2.8796 2.8796 3.0902 3.0902 3.1401 3.1401 3.1542 3.1542 3.8526 3.8526 3.9801 3.9801 3.9967 3.9967 4.0938 4.0938 4.1224 4.1224 4.1325 4.1325 4.3812 4.3812 4.6584 4.6584 4.7843 4.7843 4.8408 4.8408 4.9203 4.9203 4.9525 4.9525 6.1154 6.1154 6.1493 6.1493 6.3614 6.3614 7.6123 7.6123 7.8622 7.8622 8.0854 8.0854 8.1998 8.1998 8.2491 8.2491 10.5185 10.5185 10.5348 10.5348 k = 0.5000 0.5000 0.3448 ( 6560 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5724 -6.5724 -6.5154 -6.5154 -6.5129 -6.5129 -6.4481 -6.4481 1.2319 1.2319 1.2454 1.2454 1.2639 1.2639 1.7163 1.7163 2.7347 2.7347 2.7394 2.7394 2.7609 2.7609 2.7845 2.7845 2.8732 2.8732 3.1020 3.1020 3.1418 3.1418 3.1549 3.1549 3.8498 3.8498 3.9813 3.9813 4.0040 4.0040 4.0907 4.0907 4.1236 4.1236 4.1324 4.1324 4.3809 4.3809 4.6698 4.6698 4.7774 4.7774 4.8319 4.8319 4.9170 4.9170 4.9485 4.9485 6.1595 6.1595 6.1969 6.1969 6.3722 6.3722 7.6426 7.6426 7.8576 7.8576 8.1120 8.1120 8.2090 8.2090 8.2556 8.2556 10.4594 10.4594 10.4762 10.4762 k = 0.5000 0.5000 0.3621 ( 6568 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5651 -6.5651 -6.5146 -6.5146 -6.5122 -6.5122 -6.4536 -6.4536 1.2168 1.2168 1.2311 1.2311 1.2473 1.2473 1.6972 1.6972 2.7439 2.7439 2.7463 2.7463 2.7690 2.7690 2.7926 2.7926 2.8668 2.8668 3.1125 3.1125 3.1433 3.1433 3.1555 3.1555 3.8473 3.8473 3.9823 3.9823 4.0112 4.0112 4.0877 4.0877 4.1248 4.1248 4.1323 4.1323 4.3805 4.3805 4.6814 4.6814 4.7707 4.7707 4.8234 4.8234 4.9132 4.9132 4.9438 4.9438 6.2012 6.2012 6.2422 6.2422 6.3827 6.3827 7.6734 7.6734 7.8532 7.8532 8.1347 8.1347 8.2184 8.2184 8.2611 8.2611 10.4046 10.4046 10.4218 10.4218 k = 0.5000 0.5000 0.3793 ( 6576 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5577 -6.5577 -6.5138 -6.5138 -6.5116 -6.5116 -6.4593 -6.4593 1.2031 1.2031 1.2183 1.2183 1.2323 1.2323 1.6802 1.6802 2.7508 2.7508 2.7541 2.7541 2.7767 2.7767 2.7999 2.7999 2.8604 2.8604 3.1216 3.1216 3.1447 3.1447 3.1562 3.1562 3.8451 3.8451 3.9831 3.9831 4.0183 4.0183 4.0847 4.0847 4.1261 4.1261 4.1322 4.1322 4.3802 4.3802 4.6928 4.6928 4.7646 4.7646 4.8156 4.8156 4.9094 4.9094 4.9382 4.9382 6.2396 6.2396 6.2845 6.2845 6.3927 6.3927 7.7039 7.7039 7.8491 7.8491 8.1527 8.1527 8.2283 8.2283 8.2654 8.2654 10.3547 10.3547 10.3719 10.3719 k = 0.5000 0.5000 0.3966 ( 6580 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5503 -6.5503 -6.5132 -6.5132 -6.5111 -6.5111 -6.4652 -6.4652 1.1910 1.1910 1.2071 1.2071 1.2190 1.2190 1.6653 1.6653 2.7566 2.7566 2.7616 2.7616 2.7838 2.7838 2.8063 2.8063 2.8542 2.8542 3.1294 3.1294 3.1459 3.1459 3.1568 3.1568 3.8432 3.8432 3.9839 3.9839 4.0253 4.0253 4.0817 4.0817 4.1273 4.1273 4.1322 4.1322 4.3799 4.3799 4.7036 4.7036 4.7589 4.7589 4.8090 4.8090 4.9058 4.9058 4.9318 4.9318 6.2740 6.2740 6.3230 6.3230 6.4023 6.4023 7.7333 7.7333 7.8455 7.8455 8.1659 8.1659 8.2387 8.2387 8.2688 8.2688 10.3103 10.3103 10.3272 10.3272 k = 0.5000 0.5000 0.4138 ( 6592 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5429 -6.5429 -6.5126 -6.5126 -6.5106 -6.5106 -6.4714 -6.4714 1.1806 1.1806 1.1977 1.1977 1.2075 1.2075 1.6527 1.6527 2.7620 2.7620 2.7679 2.7679 2.7900 2.7900 2.8119 2.8119 2.8481 2.8481 3.1358 3.1358 3.1470 3.1470 3.1574 3.1574 3.8417 3.8417 3.9844 3.9844 4.0319 4.0319 4.0786 4.0786 4.1283 4.1283 4.1321 4.1321 4.3797 4.3797 4.7135 4.7135 4.7540 4.7540 4.8038 4.8038 4.9026 4.9026 4.9249 4.9249 6.3036 6.3036 6.3570 6.3570 6.4115 6.4115 7.7607 7.7607 7.8423 7.8423 8.1750 8.1750 8.2488 8.2488 8.2714 8.2714 10.2721 10.2721 10.2879 10.2879 k = 0.5000 0.5000 0.4310 ( 6596 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5355 -6.5355 -6.5121 -6.5121 -6.5102 -6.5102 -6.4777 -6.4777 1.1720 1.1720 1.1900 1.1900 1.1978 1.1978 1.6423 1.6423 2.7670 2.7670 2.7731 2.7731 2.7955 2.7955 2.8165 2.8165 2.8423 2.8423 3.1409 3.1409 3.1479 3.1479 3.1581 3.1581 3.8404 3.8404 3.9849 3.9849 4.0383 4.0383 4.0754 4.0754 4.1292 4.1292 4.1320 4.1320 4.3794 4.3794 4.7218 4.7218 4.7498 4.7498 4.8005 4.8005 4.8998 4.8998 4.9177 4.9177 6.3278 6.3278 6.3860 6.3860 6.4202 6.4202 7.7851 7.7851 7.8396 7.8396 8.1808 8.1808 8.2578 8.2578 8.2731 8.2731 10.2403 10.2403 10.2542 10.2542 k = 0.5000 0.5000 0.4483 ( 6596 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5282 -6.5282 -6.5117 -6.5117 -6.5099 -6.5099 -6.4842 -6.4842 1.1653 1.1653 1.1842 1.1842 1.1900 1.1900 1.6342 1.6342 2.7716 2.7716 2.7770 2.7770 2.8001 2.8001 2.8202 2.8202 2.8370 2.8370 3.1448 3.1448 3.1486 3.1486 3.1588 3.1588 3.8395 3.8395 3.9852 3.9852 4.0443 4.0443 4.0720 4.0720 4.1299 4.1299 4.1319 4.1319 4.3793 4.3793 4.7282 4.7282 4.7463 4.7463 4.7992 4.7992 4.8977 4.8977 4.9109 4.9109 6.3461 6.3461 6.4091 6.4091 6.4282 6.4282 7.8056 7.8056 7.8375 7.8375 8.1843 8.1843 8.2652 8.2652 8.2743 8.2743 10.2156 10.2156 10.2266 10.2266 k = 0.5000 0.5000 0.4655 ( 6588 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5211 -6.5211 -6.5114 -6.5114 -6.5096 -6.5096 -6.4908 -6.4908 1.1604 1.1604 1.1803 1.1803 1.1842 1.1842 1.6283 1.6283 2.7754 2.7754 2.7795 2.7795 2.8038 2.8038 2.8230 2.8230 2.8323 2.8323 3.1474 3.1474 3.1492 3.1492 3.1594 3.1594 3.8388 3.8388 3.9855 3.9855 4.0499 4.0499 4.0683 4.0683 4.1306 4.1306 4.1318 4.1318 4.3792 4.3792 4.7329 4.7329 4.7434 4.7434 4.7993 4.7993 4.8965 4.8965 4.9048 4.9048 6.3586 6.3586 6.4261 6.4261 6.4349 6.4349 7.8211 7.8211 7.8360 7.8360 8.1863 8.1863 8.2705 8.2705 8.2750 8.2750 10.1982 10.1982 10.2057 10.2057 k = 0.5000 0.5000 0.4828 ( 6588 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5147 -6.5147 -6.5110 -6.5110 -6.5095 -6.5095 -6.4971 -6.4971 1.1575 1.1575 1.1783 1.1783 1.1803 1.1803 1.6248 1.6248 2.7784 2.7784 2.7805 2.7805 2.8063 2.8063 2.8249 2.8249 2.8288 2.8288 3.1488 3.1488 3.1495 3.1495 3.1599 3.1599 3.8385 3.8385 3.9857 3.9857 4.0551 4.0551 4.0643 4.0643 4.1310 4.1310 4.1316 4.1316 4.3791 4.3791 4.7361 4.7361 4.7409 4.7409 4.8001 4.8001 4.8962 4.8962 4.9002 4.9002 6.3658 6.3658 6.4365 6.4365 6.4393 6.4393 7.8308 7.8308 7.8350 7.8350 8.1873 8.1873 8.2738 8.2738 8.2753 8.2753 10.1884 10.1884 10.1921 10.1921 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -58.2014 -58.2014 -32.6024 -32.6024 -31.7745 -31.7745 -31.7745 -31.7745 -6.5122 -6.5122 -6.5094 -6.5094 -6.5094 -6.5094 -6.5009 -6.5009 1.1565 1.1565 1.1783 1.1783 1.1783 1.1783 1.6237 1.6237 2.7803 2.7803 2.7803 2.7803 2.8074 2.8074 2.8266 2.8266 2.8266 2.8266 3.1496 3.1496 3.1496 3.1496 3.1602 3.1602 3.8385 3.8385 3.9859 3.9859 4.0601 4.0601 4.0601 4.0601 4.1315 4.1315 4.1315 4.1315 4.3794 4.3794 4.7387 4.7387 4.7387 4.7387 4.8006 4.8006 4.8975 4.8975 4.8975 4.8975 6.3682 6.3682 6.4405 6.4405 6.4405 6.4405 7.8345 7.8345 7.8345 7.8345 8.1877 8.1877 8.2751 8.2751 8.2751 8.2751 10.1863 10.1863 10.1863 10.1863 Writing output data file VCu3Se4.save init_run : 5.00s CPU 10.77s WALL ( 1 calls) electrons : 1545.47s CPU 1561.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.58s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1545.45s CPU 1560.94s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.76s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.15s CPU 0.61s WALL ( 1 calls) newd : 1.00s CPU 1.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.16s WALL ( 222 calls) cegterg : 1492.14s CPU 1504.99s WALL ( 808 calls) Called by sum_band: Called by *egterg: h_psi : 452.74s CPU 462.65s WALL ( 15642 calls) s_psi : 54.63s CPU 55.09s WALL ( 15642 calls) g_psi : 1.34s CPU 1.41s WALL ( 14612 calls) cdiaghg : 742.40s CPU 740.02s WALL ( 14834 calls) cegterg:over : 128.84s CPU 124.61s WALL ( 14612 calls) cegterg:upda : 42.41s CPU 45.72s WALL ( 14612 calls) cegterg:last : 29.20s CPU 29.67s WALL ( 1696 calls) Called by h_psi: h_psi:vloc : 338.03s CPU 345.65s WALL ( 15642 calls) h_psi:vnl : 113.88s CPU 115.42s WALL ( 15642 calls) add_vuspsi : 42.46s CPU 48.06s WALL ( 15642 calls) General routines calbec : 71.36s CPU 67.25s WALL ( 15642 calls) fft : 0.45s CPU 1.36s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 301.33s CPU 298.93s WALL ( 1652344 calls) interpolate : 0.20s CPU 0.30s WALL ( 4 calls) davcio : 0.01s CPU 1.78s WALL ( 444 calls) Parallel routines fft_scatter : 222.56s CPU 205.10s WALL ( 1652367 calls) PWSCF : 27m 2.95s CPU 29m12.57s WALL This run was terminated on: 4:15:51 2Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=