Program PWSCF v.5.1.1 starts on 1Nov2015 at 8:11: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VCu3Se4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 119 35 10 6753 1085 170 Max 120 36 11 6755 1105 175 Sum 5713 1693 489 324157 52515 8217 bravais-lattice index = 14 lattice parameter (alat) = 10.5296 a.u. unit-cell volume = 1167.4273 (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)= 10.529553 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: 324157 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 52515 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 ( 6753) G-vector shells 0.01 Mb ( 1243) 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 49.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.0 secs Computing kpt #: 5 total cpu time spent up to now is 88.3 secs Computing kpt #: 6 total cpu time spent up to now is 95.2 secs Computing kpt #: 7 total cpu time spent up to now is 102.2 secs Computing kpt #: 8 total cpu time spent up to now is 108.7 secs Computing kpt #: 9 total cpu time spent up to now is 114.4 secs Computing kpt #: 10 total cpu time spent up to now is 119.8 secs Computing kpt #: 11 total cpu time spent up to now is 125.4 secs Computing kpt #: 12 total cpu time spent up to now is 130.4 secs Computing kpt #: 13 total cpu time spent up to now is 135.2 secs Computing kpt #: 14 total cpu time spent up to now is 140.0 secs Computing kpt #: 15 total cpu time spent up to now is 144.9 secs Computing kpt #: 16 total cpu time spent up to now is 149.7 secs Computing kpt #: 17 total cpu time spent up to now is 154.6 secs Computing kpt #: 18 total cpu time spent up to now is 159.5 secs Computing kpt #: 19 total cpu time spent up to now is 164.5 secs Computing kpt #: 20 total cpu time spent up to now is 169.5 secs Computing kpt #: 21 total cpu time spent up to now is 174.5 secs Computing kpt #: 22 total cpu time spent up to now is 179.6 secs Computing kpt #: 23 total cpu time spent up to now is 186.3 secs Computing kpt #: 24 total cpu time spent up to now is 191.4 secs Computing kpt #: 25 total cpu time spent up to now is 196.5 secs Computing kpt #: 26 total cpu time spent up to now is 201.4 secs Computing kpt #: 27 total cpu time spent up to now is 206.4 secs Computing kpt #: 28 total cpu time spent up to now is 211.3 secs Computing kpt #: 29 total cpu time spent up to now is 216.0 secs Computing kpt #: 30 total cpu time spent up to now is 220.7 secs Computing kpt #: 31 total cpu time spent up to now is 225.3 secs Computing kpt #: 32 total cpu time spent up to now is 230.2 secs Computing kpt #: 33 total cpu time spent up to now is 235.3 secs Computing kpt #: 34 total cpu time spent up to now is 240.7 secs Computing kpt #: 35 total cpu time spent up to now is 245.8 secs Computing kpt #: 36 total cpu time spent up to now is 251.0 secs Computing kpt #: 37 total cpu time spent up to now is 256.2 secs Computing kpt #: 38 total cpu time spent up to now is 261.5 secs Computing kpt #: 39 total cpu time spent up to now is 267.1 secs Computing kpt #: 40 total cpu time spent up to now is 273.0 secs Computing kpt #: 41 total cpu time spent up to now is 278.8 secs Computing kpt #: 42 total cpu time spent up to now is 284.9 secs Computing kpt #: 43 total cpu time spent up to now is 291.6 secs Computing kpt #: 44 total cpu time spent up to now is 298.8 secs Computing kpt #: 45 total cpu time spent up to now is 307.3 secs Computing kpt #: 46 total cpu time spent up to now is 316.4 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.1 secs Computing kpt #: 48 total cpu time spent up to now is 335.0 secs Computing kpt #: 49 total cpu time spent up to now is 341.5 secs Computing kpt #: 50 total cpu time spent up to now is 347.6 secs Computing kpt #: 51 total cpu time spent up to now is 353.5 secs Computing kpt #: 52 total cpu time spent up to now is 359.4 secs Computing kpt #: 53 total cpu time spent up to now is 364.8 secs Computing kpt #: 54 total cpu time spent up to now is 370.2 secs Computing kpt #: 55 total cpu time spent up to now is 375.5 secs Computing kpt #: 56 total cpu time spent up to now is 380.7 secs Computing kpt #: 57 total cpu time spent up to now is 385.7 secs Computing kpt #: 58 total cpu time spent up to now is 390.8 secs Computing kpt #: 59 total cpu time spent up to now is 395.6 secs Computing kpt #: 60 total cpu time spent up to now is 399.9 secs Computing kpt #: 61 total cpu time spent up to now is 404.5 secs Computing kpt #: 62 total cpu time spent up to now is 409.3 secs Computing kpt #: 63 total cpu time spent up to now is 414.2 secs Computing kpt #: 64 total cpu time spent up to now is 419.3 secs Computing kpt #: 65 total cpu time spent up to now is 424.5 secs Computing kpt #: 66 total cpu time spent up to now is 429.7 secs Computing kpt #: 67 total cpu time spent up to now is 434.9 secs Computing kpt #: 68 total cpu time spent up to now is 440.4 secs Computing kpt #: 69 total cpu time spent up to now is 446.3 secs Computing kpt #: 70 total cpu time spent up to now is 453.4 secs Computing kpt #: 71 total cpu time spent up to now is 462.2 secs Computing kpt #: 72 total cpu time spent up to now is 470.8 secs Computing kpt #: 73 total cpu time spent up to now is 478.6 secs Computing kpt #: 74 total cpu time spent up to now is 487.3 secs Computing kpt #: 75 total cpu time spent up to now is 494.0 secs Computing kpt #: 76 total cpu time spent up to now is 500.9 secs Computing kpt #: 77 total cpu time spent up to now is 507.4 secs Computing kpt #: 78 total cpu time spent up to now is 513.4 secs Computing kpt #: 79 total cpu time spent up to now is 519.4 secs Computing kpt #: 80 total cpu time spent up to now is 525.3 secs Computing kpt #: 81 total cpu time spent up to now is 531.3 secs Computing kpt #: 82 total cpu time spent up to now is 537.8 secs Computing kpt #: 83 total cpu time spent up to now is 544.8 secs Computing kpt #: 84 total cpu time spent up to now is 551.8 secs Computing kpt #: 85 total cpu time spent up to now is 559.0 secs Computing kpt #: 86 total cpu time spent up to now is 566.2 secs Computing kpt #: 87 total cpu time spent up to now is 574.9 secs Computing kpt #: 88 total cpu time spent up to now is 583.6 secs Computing kpt #: 89 total cpu time spent up to now is 594.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.1 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.7 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.4 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.5 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.1 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.0 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 740.0 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.4 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 780.8 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 791.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.1 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 822.8 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 833.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 843.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 853.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 863.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 874.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 904.9 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 915.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 925.7 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.0 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 956.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 967.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 977.3 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 987.5 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 997.7 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1008.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.1 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.5 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1048.7 secs Computing kpt #: 134 total cpu time spent up to now is 1058.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1068.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1078.4 secs Computing kpt #: 137 total cpu time spent up to now is 1089.3 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1099.2 secs Computing kpt #: 139 total cpu time spent up to now is 1105.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1115.1 secs Computing kpt #: 141 total cpu time spent up to now is 1123.3 secs Computing kpt #: 142 total cpu time spent up to now is 1131.8 secs Computing kpt #: 143 total cpu time spent up to now is 1138.6 secs Computing kpt #: 144 total cpu time spent up to now is 1147.1 secs Computing kpt #: 145 total cpu time spent up to now is 1153.2 secs Computing kpt #: 146 total cpu time spent up to now is 1159.6 secs Computing kpt #: 147 total cpu time spent up to now is 1165.8 secs Computing kpt #: 148 total cpu time spent up to now is 1172.0 secs Computing kpt #: 149 total cpu time spent up to now is 1178.1 secs Computing kpt #: 150 total cpu time spent up to now is 1184.1 secs Computing kpt #: 151 total cpu time spent up to now is 1189.8 secs Computing kpt #: 152 total cpu time spent up to now is 1195.5 secs Computing kpt #: 153 total cpu time spent up to now is 1201.8 secs Computing kpt #: 154 total cpu time spent up to now is 1207.8 secs Computing kpt #: 155 total cpu time spent up to now is 1214.0 secs Computing kpt #: 156 total cpu time spent up to now is 1219.8 secs Computing kpt #: 157 total cpu time spent up to now is 1225.6 secs Computing kpt #: 158 total cpu time spent up to now is 1231.4 secs Computing kpt #: 159 total cpu time spent up to now is 1236.8 secs Computing kpt #: 160 total cpu time spent up to now is 1242.1 secs Computing kpt #: 161 total cpu time spent up to now is 1247.2 secs Computing kpt #: 162 total cpu time spent up to now is 1252.5 secs Computing kpt #: 163 total cpu time spent up to now is 1257.7 secs Computing kpt #: 164 total cpu time spent up to now is 1262.8 secs Computing kpt #: 165 total cpu time spent up to now is 1268.0 secs Computing kpt #: 166 total cpu time spent up to now is 1273.1 secs Computing kpt #: 167 total cpu time spent up to now is 1278.2 secs Computing kpt #: 168 total cpu time spent up to now is 1283.1 secs Computing kpt #: 169 total cpu time spent up to now is 1288.1 secs Computing kpt #: 170 total cpu time spent up to now is 1293.2 secs Computing kpt #: 171 total cpu time spent up to now is 1298.4 secs Computing kpt #: 172 total cpu time spent up to now is 1303.5 secs Computing kpt #: 173 total cpu time spent up to now is 1308.7 secs Computing kpt #: 174 total cpu time spent up to now is 1313.9 secs Computing kpt #: 175 total cpu time spent up to now is 1319.3 secs Computing kpt #: 176 total cpu time spent up to now is 1325.1 secs Computing kpt #: 177 total cpu time spent up to now is 1330.9 secs Computing kpt #: 178 total cpu time spent up to now is 1337.0 secs Computing kpt #: 179 total cpu time spent up to now is 1344.1 secs Computing kpt #: 180 total cpu time spent up to now is 1351.6 secs Computing kpt #: 181 total cpu time spent up to now is 1358.7 secs Computing kpt #: 182 total cpu time spent up to now is 1365.2 secs Computing kpt #: 183 total cpu time spent up to now is 1371.1 secs Computing kpt #: 184 total cpu time spent up to now is 1376.8 secs Computing kpt #: 185 total cpu time spent up to now is 1383.0 secs Computing kpt #: 186 total cpu time spent up to now is 1388.6 secs Computing kpt #: 187 total cpu time spent up to now is 1393.8 secs Computing kpt #: 188 total cpu time spent up to now is 1398.9 secs Computing kpt #: 189 total cpu time spent up to now is 1404.1 secs Computing kpt #: 190 total cpu time spent up to now is 1409.0 secs Computing kpt #: 191 total cpu time spent up to now is 1414.0 secs Computing kpt #: 192 total cpu time spent up to now is 1418.6 secs Computing kpt #: 193 total cpu time spent up to now is 1423.2 secs Computing kpt #: 194 total cpu time spent up to now is 1427.8 secs Computing kpt #: 195 total cpu time spent up to now is 1432.5 secs Computing kpt #: 196 total cpu time spent up to now is 1437.4 secs Computing kpt #: 197 total cpu time spent up to now is 1442.3 secs Computing kpt #: 198 total cpu time spent up to now is 1447.3 secs Computing kpt #: 199 total cpu time spent up to now is 1452.3 secs Computing kpt #: 200 total cpu time spent up to now is 1457.4 secs Computing kpt #: 201 total cpu time spent up to now is 1462.5 secs Computing kpt #: 202 total cpu time spent up to now is 1467.5 secs Computing kpt #: 203 total cpu time spent up to now is 1472.7 secs Computing kpt #: 204 total cpu time spent up to now is 1477.9 secs Computing kpt #: 205 total cpu time spent up to now is 1483.2 secs Computing kpt #: 206 total cpu time spent up to now is 1488.6 secs Computing kpt #: 207 total cpu time spent up to now is 1494.2 secs Computing kpt #: 208 total cpu time spent up to now is 1499.8 secs Computing kpt #: 209 total cpu time spent up to now is 1505.5 secs Computing kpt #: 210 total cpu time spent up to now is 1511.0 secs Computing kpt #: 211 total cpu time spent up to now is 1516.7 secs Computing kpt #: 212 total cpu time spent up to now is 1522.4 secs Computing kpt #: 213 total cpu time spent up to now is 1528.0 secs Computing kpt #: 214 total cpu time spent up to now is 1533.8 secs Computing kpt #: 215 total cpu time spent up to now is 1539.8 secs Computing kpt #: 216 total cpu time spent up to now is 1545.8 secs Computing kpt #: 217 total cpu time spent up to now is 1552.0 secs Computing kpt #: 218 total cpu time spent up to now is 1557.9 secs Computing kpt #: 219 total cpu time spent up to now is 1564.1 secs Computing kpt #: 220 total cpu time spent up to now is 1569.8 secs Computing kpt #: 221 total cpu time spent up to now is 1575.3 secs Computing kpt #: 222 total cpu time spent up to now is 1581.0 secs ethr = 1.43E-11, avg # of iterations = 64.7 total cpu time spent up to now is 1581.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4208 -7.4208 -6.3189 -6.3189 -6.3158 -6.3158 -6.3158 -6.3158 0.8303 0.8303 0.8303 0.8303 1.4025 1.4025 2.4417 2.4417 2.4893 2.4893 2.4893 2.4893 2.9093 2.9093 3.0196 3.0196 3.0196 3.0196 3.5416 3.5416 3.5416 3.5416 3.5674 3.5674 3.5674 3.5674 3.6008 3.6008 4.0403 4.0403 4.1001 4.1001 4.1001 4.1001 4.1796 4.1796 4.1796 4.1796 4.2404 4.2404 4.7689 4.7689 4.8547 4.8547 4.9323 4.9323 4.9323 4.9323 5.9122 5.9122 5.9122 5.9122 5.9377 5.9377 7.3886 7.3886 7.3886 7.3886 7.9846 7.9846 8.1946 8.1946 8.1946 8.1946 8.8701 8.8701 11.0289 11.0322 k = 0.0000 0.0172-0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4201 -7.4201 -6.3193 -6.3193 -6.3163 -6.3163 -6.3158 -6.3158 0.8308 0.8308 0.8319 0.8319 1.4034 1.4034 2.4414 2.4414 2.4884 2.4884 2.4899 2.4899 2.9087 2.9087 3.0181 3.0181 3.0196 3.0196 3.5272 3.5272 3.5435 3.5435 3.5635 3.5635 3.5803 3.5803 3.6032 3.6032 4.0397 4.0397 4.0922 4.0922 4.1074 4.1074 4.1741 4.1741 4.1856 4.1856 4.2406 4.2406 4.7689 4.7689 4.8546 4.8546 4.9289 4.9289 4.9349 4.9349 5.9103 5.9103 5.9126 5.9126 5.9369 5.9369 7.3888 7.3888 7.3893 7.3893 7.9832 7.9832 8.1897 8.1897 8.1944 8.1944 8.8807 8.8807 11.0282 11.0284 k = 0.0000 0.0345-0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4182 -7.4182 -6.3210 -6.3210 -6.3172 -6.3172 -6.3158 -6.3158 0.8330 0.8330 0.8357 0.8357 1.4062 1.4062 2.4405 2.4405 2.4864 2.4864 2.4906 2.4906 2.9069 2.9069 3.0147 3.0147 3.0189 3.0189 3.5038 3.5038 3.5440 3.5440 3.5630 3.5630 3.5890 3.5890 3.6146 3.6146 4.0378 4.0378 4.0844 4.0844 4.1137 4.1137 4.1693 4.1693 4.1920 4.1920 4.2414 4.2414 4.7692 4.7692 4.8541 4.8541 4.9245 4.9245 4.9365 4.9365 5.9050 5.9050 5.9129 5.9129 5.9349 5.9349 7.3894 7.3894 7.3912 7.3912 7.9790 7.9790 8.1764 8.1764 8.1938 8.1938 8.9111 8.9111 11.0242 11.0242 k = 0.0000 0.0517-0.0000 ( 6595 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4150 -7.4150 -6.3249 -6.3249 -6.3174 -6.3174 -6.3157 -6.3157 0.8368 0.8368 0.8417 0.8417 1.4109 1.4109 2.4385 2.4385 2.4836 2.4836 2.4917 2.4917 2.9038 2.9038 3.0093 3.0093 3.0176 3.0176 3.4775 3.4775 3.5446 3.5446 3.5631 3.5631 3.5908 3.5908 3.6332 3.6332 4.0345 4.0345 4.0770 4.0770 4.1185 4.1185 4.1653 4.1653 4.1986 4.1986 4.2431 4.2431 4.7696 4.7696 4.8534 4.8534 4.9193 4.9193 4.9373 4.9373 5.8954 5.8954 5.9133 5.9133 5.9326 5.9326 7.3902 7.3902 7.3944 7.3944 7.9715 7.9715 8.1579 8.1579 8.1929 8.1929 8.9586 8.9586 11.0177 11.0177 k = 0.0000 0.0690-0.0000 ( 6579 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4106 -7.4106 -6.3308 -6.3308 -6.3175 -6.3175 -6.3156 -6.3156 0.8423 0.8423 0.8502 0.8502 1.4173 1.4173 2.4348 2.4348 2.4806 2.4806 2.4932 2.4932 2.8993 2.8993 3.0022 3.0022 3.0157 3.0157 3.4492 3.4492 3.5451 3.5451 3.5635 3.5635 3.5905 3.5905 3.6533 3.6533 4.0295 4.0295 4.0707 4.0707 4.1209 4.1209 4.1628 4.1628 4.2048 4.2048 4.2460 4.2460 4.7701 4.7701 4.8523 4.8523 4.9133 4.9133 4.9374 4.9374 5.8812 5.8812 5.9139 5.9139 5.9305 5.9305 7.3912 7.3912 7.3988 7.3988 7.9602 7.9602 8.1379 8.1379 8.1915 8.1915 9.0198 9.0198 11.0100 11.0100 k = 0.0000 0.0862-0.0000 ( 6575 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4049 -7.4049 -6.3384 -6.3384 -6.3174 -6.3174 -6.3155 -6.3155 0.8492 0.8492 0.8609 0.8609 1.4256 1.4256 2.4288 2.4288 2.4780 2.4780 2.4952 2.4952 2.8930 2.8930 2.9937 2.9937 3.0132 3.0132 3.4193 3.4193 3.5455 3.5455 3.5643 3.5643 3.5895 3.5895 3.6733 3.6733 4.0229 4.0229 4.0656 4.0656 4.1203 4.1203 4.1621 4.1621 4.2100 4.2100 4.2506 4.2506 4.7706 4.7706 4.8509 4.8509 4.9067 4.9067 4.9368 4.9368 5.8626 5.8626 5.9145 5.9145 5.9286 5.9286 7.3920 7.3920 7.4043 7.4043 7.9448 7.9448 8.1192 8.1192 8.1897 8.1897 9.0918 9.0918 11.0022 11.0022 k = 0.0000 0.1034-0.0000 ( 6583 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3980 -7.3980 -6.3477 -6.3477 -6.3173 -6.3173 -6.3154 -6.3154 0.8577 0.8577 0.8739 0.8739 1.4357 1.4357 2.4198 2.4198 2.4765 2.4765 2.4975 2.4975 2.8845 2.8845 2.9842 2.9842 3.0102 3.0102 3.3877 3.3877 3.5457 3.5457 3.5654 3.5654 3.5880 3.5880 3.6930 3.6930 4.0151 4.0151 4.0616 4.0616 4.1167 4.1167 4.1634 4.1634 4.2138 4.2138 4.2573 4.2573 4.7712 4.7712 4.8493 4.8493 4.8997 4.8997 4.9358 4.9358 5.8402 5.8402 5.9151 5.9151 5.9267 5.9267 7.3925 7.3925 7.4107 7.4107 7.9258 7.9258 8.1035 8.1035 8.1873 8.1873 9.1722 9.1722 10.9951 10.9951 k = 0.0000 0.1207-0.0000 ( 6591 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3898 -7.3898 -6.3586 -6.3586 -6.3171 -6.3171 -6.3152 -6.3152 0.8676 0.8676 0.8892 0.8892 1.4476 1.4476 2.4077 2.4077 2.4764 2.4764 2.5002 2.5002 2.8735 2.8735 2.9745 2.9745 3.0067 3.0067 3.3545 3.3545 3.5454 3.5454 3.5670 3.5670 3.5863 3.5863 3.7121 3.7121 4.0067 4.0067 4.0583 4.0583 4.1107 4.1107 4.1659 4.1659 4.2162 4.2162 4.2658 4.2658 4.7716 4.7716 4.8473 4.8473 4.8924 4.8924 4.9345 4.9345 5.8144 5.8144 5.9157 5.9157 5.9249 5.9249 7.3924 7.3924 7.4180 7.4180 7.9042 7.9042 8.0911 8.0911 8.1843 8.1843 9.2593 9.2593 10.9894 10.9894 k = 0.0000 0.1379-0.0000 ( 6575 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3805 -7.3805 -6.3710 -6.3710 -6.3169 -6.3169 -6.3150 -6.3150 0.8789 0.8789 0.9068 0.9068 1.4613 1.4613 2.3928 2.3928 2.4773 2.4773 2.5033 2.5033 2.8596 2.8596 2.9649 2.9649 3.0027 3.0027 3.3197 3.3197 3.5448 3.5448 3.5690 3.5690 3.5844 3.5844 3.7308 3.7308 3.9980 3.9980 4.0556 4.0556 4.1030 4.1030 4.1692 4.1692 4.2176 4.2176 4.2757 4.2757 4.7719 4.7719 4.8451 4.8451 4.8852 4.8852 4.9330 4.9330 5.7857 5.7857 5.9163 5.9163 5.9230 5.9230 7.3916 7.3916 7.4260 7.4260 7.8817 7.8817 8.0814 8.0814 8.1806 8.1806 9.3517 9.3517 10.9854 10.9854 k = 0.0000 0.1552-0.0000 ( 6579 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3700 -7.3700 -6.3848 -6.3848 -6.3167 -6.3167 -6.3149 -6.3149 0.8915 0.8915 0.9264 0.9264 1.4767 1.4767 2.3751 2.3751 2.4792 2.4792 2.5068 2.5068 2.8426 2.8426 2.9559 2.9559 2.9983 2.9983 3.2832 3.2832 3.5439 3.5439 3.5712 3.5712 3.5826 3.5826 3.7487 3.7487 3.9895 3.9895 4.0531 4.0531 4.0942 4.0942 4.1726 4.1726 4.2183 4.2183 4.2865 4.2865 4.7721 4.7721 4.8425 4.8425 4.8783 4.8783 4.9315 4.9315 5.7547 5.7547 5.9165 5.9165 5.9212 5.9212 7.3897 7.3897 7.4345 7.4345 7.8596 7.8596 8.0737 8.0737 8.1763 8.1763 9.4482 9.4482 10.9836 10.9836 k = 0.0000 0.1724-0.0000 ( 6571 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3584 -7.3584 -6.4000 -6.4000 -6.3164 -6.3164 -6.3147 -6.3147 0.9054 0.9054 0.9482 0.9482 1.4939 1.4939 2.3551 2.3551 2.4818 2.4818 2.5105 2.5105 2.8225 2.8225 2.9477 2.9477 2.9933 2.9933 3.2452 3.2452 3.5427 3.5427 3.5730 3.5730 3.5814 3.5814 3.7660 3.7660 3.9817 3.9817 4.0508 4.0508 4.0847 4.0847 4.1758 4.1758 4.2185 4.2185 4.2977 4.2977 4.7721 4.7721 4.8398 4.8398 4.8720 4.8720 4.9299 4.9299 5.7217 5.7217 5.9161 5.9161 5.9199 5.9199 7.3867 7.3867 7.4435 7.4435 7.8389 7.8389 8.0672 8.0672 8.1713 8.1713 9.5480 9.5480 10.9840 10.9840 k = 0.0000 0.1897-0.0000 ( 6571 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3457 -7.3457 -6.4165 -6.4165 -6.3162 -6.3162 -6.3144 -6.3144 0.9205 0.9205 0.9720 0.9720 1.5127 1.5127 2.3328 2.3328 2.4849 2.4849 2.5146 2.5146 2.7997 2.7997 2.9403 2.9403 2.9878 2.9878 3.2057 3.2057 3.5414 3.5414 3.5733 3.5733 3.5817 3.5817 3.7823 3.7823 3.9746 3.9746 4.0485 4.0485 4.0748 4.0748 4.1786 4.1786 4.2185 4.2185 4.3090 4.3090 4.7719 4.7719 4.8366 4.8366 4.8667 4.8667 4.9286 4.9286 5.6873 5.6873 5.9144 5.9144 5.9195 5.9195 7.3825 7.3825 7.4527 7.4527 7.8202 7.8202 8.0614 8.0614 8.1656 8.1656 9.6502 9.6502 10.9868 10.9868 k = 0.0000 0.2069-0.0000 ( 6567 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3320 -7.3320 -6.4342 -6.4342 -6.3159 -6.3159 -6.3142 -6.3142 0.9367 0.9367 0.9978 0.9978 1.5332 1.5332 2.3085 2.3085 2.4884 2.4884 2.5187 2.5187 2.7744 2.7744 2.9335 2.9335 2.9818 2.9818 3.1650 3.1650 3.5399 3.5399 3.5719 3.5719 3.5838 3.5838 3.7976 3.7976 3.9686 3.9686 4.0462 4.0462 4.0648 4.0648 4.1808 4.1808 4.2183 4.2183 4.3204 4.3204 4.7717 4.7717 4.8332 4.8332 4.8627 4.8627 4.9273 4.9273 5.6517 5.6517 5.9120 5.9120 5.9196 5.9196 7.3771 7.3771 7.4621 7.4621 7.8040 7.8040 8.0560 8.0560 8.1592 8.1592 9.7541 9.7541 10.9920 10.9920 k = 0.0000 0.2241-0.0000 ( 6543 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3173 -7.3173 -6.4530 -6.4530 -6.3156 -6.3156 -6.3140 -6.3140 0.9538 0.9538 1.0254 1.0254 1.5553 1.5553 2.2823 2.2823 2.4923 2.4923 2.5232 2.5232 2.7472 2.7472 2.9274 2.9274 2.9752 2.9752 3.1233 3.1233 3.5383 3.5383 3.5698 3.5698 3.5867 3.5867 3.8116 3.8116 3.9641 3.9641 4.0437 4.0437 4.0550 4.0550 4.1823 4.1823 4.2179 4.2179 4.3314 4.3314 4.7714 4.7714 4.8294 4.8294 4.8601 4.8601 4.9264 4.9264 5.6155 5.6155 5.9093 5.9093 5.9198 5.9198 7.3707 7.3707 7.4715 7.4715 7.7903 7.7903 8.0507 8.0507 8.1522 8.1522 9.8590 9.8590 10.9995 10.9995 k = 0.0000 0.2414-0.0000 ( 6559 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3016 -7.3016 -6.4728 -6.4728 -6.3153 -6.3153 -6.3138 -6.3138 0.9718 0.9718 1.0547 1.0547 1.5789 1.5789 2.2542 2.2542 2.4964 2.4964 2.5276 2.5276 2.7183 2.7183 2.9216 2.9216 2.9675 2.9675 3.0812 3.0812 3.5367 3.5367 3.5674 3.5674 3.5898 3.5898 3.8238 3.8238 3.9613 3.9613 4.0402 4.0402 4.0463 4.0463 4.1829 4.1829 4.2174 4.2174 4.3420 4.3420 4.7712 4.7712 4.8255 4.8255 4.8588 4.8588 4.9257 4.9257 5.5788 5.5788 5.9062 5.9062 5.9199 5.9199 7.3634 7.3634 7.4808 7.4808 7.7790 7.7790 8.0454 8.0454 8.1446 8.1446 9.9642 9.9642 11.0091 11.0091 k = 0.0000 0.2586-0.0000 ( 6559 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.2851 -7.2851 -6.4935 -6.4935 -6.3150 -6.3150 -6.3135 -6.3135 0.9905 0.9905 1.0857 1.0857 1.6040 1.6040 2.2245 2.2245 2.5007 2.5007 2.5322 2.5322 2.6883 2.6883 2.9161 2.9161 2.9579 2.9579 3.0399 3.0399 3.5352 3.5352 3.5650 3.5650 3.5930 3.5930 3.8339 3.8339 3.9606 3.9606 4.0333 4.0333 4.0414 4.0414 4.1829 4.1829 4.2169 4.2169 4.3520 4.3520 4.7712 4.7712 4.8216 4.8216 4.8590 4.8590 4.9252 4.9252 5.5420 5.5420 5.9031 5.9031 5.9199 5.9199 7.3554 7.3554 7.4898 7.4898 7.7699 7.7699 8.0400 8.0400 8.1365 8.1365 10.0688 10.0688 11.0207 11.0207 k = 0.0000 0.2759-0.0000 ( 6551 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7495 -31.7495 -31.7493 -31.7493 -7.2679 -7.2679 -6.5149 -6.5149 -6.3147 -6.3147 -6.3133 -6.3133 1.0098 1.0098 1.1182 1.1182 1.6304 1.6304 2.1933 2.1933 2.5051 2.5051 2.5368 2.5368 2.6575 2.6575 2.9106 2.9106 2.9436 2.9436 3.0029 3.0029 3.5336 3.5336 3.5625 3.5625 3.5962 3.5962 3.8417 3.8417 3.9620 3.9620 4.0246 4.0246 4.0390 4.0390 4.1820 4.1820 4.2163 4.2163 4.3612 4.3612 4.7715 4.7715 4.8180 4.8180 4.8605 4.8605 4.9252 4.9252 5.5055 5.5055 5.8999 5.8999 5.9199 5.9199 7.3470 7.3470 7.4986 7.4986 7.7628 7.7628 8.0346 8.0346 8.1282 8.1282 10.1723 10.1723 11.0339 11.0339 k = 0.0000 0.2931-0.0000 ( 6555 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7495 -31.7495 -31.7493 -31.7493 -7.2499 -7.2499 -6.5369 -6.5369 -6.3144 -6.3144 -6.3131 -6.3131 1.0294 1.0294 1.1521 1.1521 1.6580 1.6580 2.1606 2.1606 2.5095 2.5095 2.5413 2.5413 2.6265 2.6265 2.9025 2.9025 2.9209 2.9209 2.9766 2.9766 3.5321 3.5321 3.5601 3.5601 3.5993 3.5993 3.8470 3.8470 3.9654 3.9654 4.0160 4.0160 4.0374 4.0374 4.1805 4.1805 4.2156 4.2156 4.3695 4.3695 4.7720 4.7720 4.8147 4.8147 4.8630 4.8630 4.9255 4.9255 5.4693 5.4693 5.8967 5.8967 5.9198 5.9198 7.3385 7.3385 7.5069 7.5069 7.7572 7.7572 8.0291 8.0291 8.1196 8.1196 10.2737 10.2737 11.0483 11.0483 k = 0.0000 0.3103-0.0000 ( 6563 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7495 -31.7495 -31.7493 -31.7493 -7.2314 -7.2314 -6.5593 -6.5593 -6.3141 -6.3141 -6.3129 -6.3129 1.0491 1.0491 1.1873 1.1873 1.6868 1.6868 2.1267 2.1267 2.5139 2.5139 2.5455 2.5455 2.5957 2.5957 2.8747 2.8747 2.9066 2.9066 2.9615 2.9615 3.5306 3.5306 3.5577 3.5577 3.6023 3.6023 3.8501 3.8501 3.9703 3.9703 4.0080 4.0080 4.0364 4.0364 4.1784 4.1784 4.2149 4.2149 4.3768 4.3768 4.7729 4.7729 4.8117 4.8117 4.8665 4.8665 4.9263 4.9263 5.4339 5.4339 5.8934 5.8934 5.9195 5.9195 7.3300 7.3300 7.5148 7.5148 7.7530 7.7530 8.0236 8.0236 8.1109 8.1109 10.3723 10.3723 11.0635 11.0635 k = 0.0000 0.3276-0.0000 ( 6571 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7495 -31.7495 -31.7493 -31.7493 -7.2124 -7.2124 -6.5820 -6.5820 -6.3138 -6.3138 -6.3127 -6.3127 1.0687 1.0687 1.2235 1.2235 1.7164 1.7164 2.0917 2.0917 2.5182 2.5182 2.5487 2.5487 2.5663 2.5663 2.8333 2.8333 2.9015 2.9015 2.9515 2.9515 3.5293 3.5293 3.5555 3.5555 3.6051 3.6051 3.8515 3.8515 3.9757 3.9757 4.0008 4.0008 4.0365 4.0365 4.1758 4.1758 4.2140 4.2140 4.3831 4.3831 4.7742 4.7742 4.8092 4.8092 4.8709 4.8709 4.9278 4.9278 5.3993 5.3993 5.8902 5.8902 5.9193 5.9193 7.3218 7.3218 7.5221 7.5221 7.7498 7.7498 8.0183 8.0183 8.1023 8.1023 10.4673 10.4673 11.0791 11.0791 k = 0.0000 0.3448-0.0000 ( 6567 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.1932 -7.1932 -6.6047 -6.6047 -6.3136 -6.3136 -6.3125 -6.3125 1.0880 1.0880 1.2607 1.2607 1.7466 1.7466 2.0558 2.0558 2.5215 2.5215 2.5346 2.5346 2.5556 2.5556 2.7895 2.7895 2.8979 2.8979 2.9434 2.9434 3.5280 3.5280 3.5534 3.5534 3.6077 3.6077 3.8516 3.8516 3.9801 3.9801 3.9948 3.9948 4.0380 4.0380 4.1729 4.1729 4.2132 4.2132 4.3882 4.3882 4.7758 4.7758 4.8070 4.8070 4.8759 4.8759 4.9301 4.9301 5.3658 5.3658 5.8871 5.8871 5.9190 5.9190 7.3141 7.3141 7.5289 7.5289 7.7475 7.7475 8.0131 8.0131 8.0940 8.0940 10.5580 10.5580 11.0943 11.0943 k = 0.0000 0.3621-0.0000 ( 6551 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.1740 -7.1740 -6.6273 -6.6273 -6.3133 -6.3133 -6.3123 -6.3123 1.1065 1.1065 1.2985 1.2985 1.7771 1.7771 2.0192 2.0192 2.5051 2.5051 2.5273 2.5273 2.5586 2.5586 2.7458 2.7458 2.8951 2.8951 2.9362 2.9362 3.5269 3.5269 3.5515 3.5515 3.6102 3.6102 3.8509 3.8509 3.9814 3.9814 3.9916 3.9916 4.0414 4.0414 4.1699 4.1699 4.2125 4.2125 4.3924 4.3924 4.7776 4.7776 4.8052 4.8052 4.8811 4.8811 4.9336 4.9336 5.3335 5.3335 5.8842 5.8842 5.9187 5.9187 7.3070 7.3070 7.5350 7.5350 7.7459 7.7459 8.0081 8.0081 8.0860 8.0860 10.6434 10.6434 11.1084 11.1084 k = 0.0000 0.3793-0.0000 ( 6543 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.1550 -7.1550 -6.6492 -6.6492 -6.3131 -6.3131 -6.3122 -6.3122 1.1241 1.1241 1.3368 1.3368 1.8074 1.8074 1.9823 1.9823 2.4793 2.4793 2.5303 2.5303 2.5619 2.5619 2.7033 2.7033 2.8928 2.8928 2.9296 2.9296 3.5259 3.5259 3.5497 3.5497 3.6124 3.6124 3.8497 3.8497 3.9785 3.9785 3.9916 3.9916 4.0464 4.0464 4.1668 4.1668 4.2117 4.2117 4.3955 4.3955 4.7797 4.7797 4.8036 4.8036 4.8861 4.8861 4.9386 4.9386 5.3028 5.3028 5.8816 5.8816 5.9184 5.9184 7.3005 7.3005 7.5405 7.5405 7.7448 7.7448 8.0035 8.0035 8.0785 8.0785 10.7230 10.7230 11.1208 11.1208 k = 0.0000 0.3966-0.0000 ( 6540 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.1366 -7.1366 -6.6703 -6.6703 -6.3129 -6.3129 -6.3121 -6.3121 1.1404 1.1404 1.3750 1.3750 1.8367 1.8367 1.9457 1.9457 2.4553 2.4553 2.5326 2.5326 2.5647 2.5647 2.6632 2.6632 2.8911 2.8911 2.9235 2.9235 3.5250 3.5250 3.5481 3.5481 3.6143 3.6143 3.8483 3.8483 3.9744 3.9744 3.9920 3.9920 4.0527 4.0527 4.1637 4.1637 4.2110 4.2110 4.3976 4.3976 4.7818 4.7818 4.8022 4.8022 4.8903 4.8903 4.9453 4.9453 5.2738 5.2738 5.8791 5.8791 5.9180 5.9180 7.2948 7.2948 7.5453 7.5453 7.7440 7.7440 7.9993 7.9993 8.0717 8.0717 10.7960 10.7960 11.1306 11.1306 k = 0.0000 0.4138-0.0000 ( 6540 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.1191 -7.1191 -6.6901 -6.6901 -6.3127 -6.3127 -6.3120 -6.3120 1.1549 1.1549 1.4128 1.4128 1.8625 1.8625 1.9116 1.9116 2.4340 2.4340 2.5336 2.5336 2.5670 2.5670 2.6272 2.6272 2.8901 2.8901 2.9179 2.9179 3.5242 3.5242 3.5468 3.5468 3.6160 3.6160 3.8469 3.8469 3.9707 3.9707 3.9920 3.9920 4.0593 4.0593 4.1607 4.1607 4.2103 4.2103 4.3991 4.3991 4.7840 4.7840 4.8009 4.8009 4.8937 4.8937 4.9536 4.9536 5.2469 5.2469 5.8770 5.8770 5.9178 5.9178 7.2899 7.2899 7.5493 7.5493 7.7435 7.7435 7.9956 7.9956 8.0657 8.0657 10.8620 10.8620 11.1371 11.1371 k = 0.0000 0.4310-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.1033 -7.1033 -6.7079 -6.7079 -6.3125 -6.3125 -6.3119 -6.3119 1.1674 1.1674 1.4494 1.4494 1.8636 1.8636 1.9009 1.9009 2.4159 2.4159 2.5315 2.5315 2.5685 2.5685 2.5981 2.5981 2.8897 2.8897 2.9127 2.9127 3.5236 3.5236 3.5456 3.5456 3.6173 3.6173 3.8457 3.8457 3.9675 3.9675 3.9915 3.9915 4.0657 4.0657 4.1581 4.1581 4.2097 4.2097 4.3999 4.3999 4.7862 4.7862 4.7997 4.7997 4.8962 4.8962 4.9630 4.9630 5.2226 5.2226 5.8752 5.8752 5.9175 5.9175 7.2859 7.2859 7.5527 7.5527 7.7431 7.7431 7.9925 7.9925 8.0606 8.0606 10.9206 10.9206 11.1394 11.1394 k = 0.0000 0.4483-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0897 -7.0897 -6.7230 -6.7230 -6.3124 -6.3124 -6.3118 -6.3118 1.1776 1.1776 1.4835 1.4835 1.8346 1.8346 1.9192 1.9192 2.4013 2.4013 2.5240 2.5240 2.5678 2.5678 2.5808 2.5808 2.8898 2.8898 2.9081 2.9081 3.5231 3.5231 3.5447 3.5447 3.6184 3.6184 3.8447 3.8447 3.9650 3.9650 3.9910 3.9910 4.0713 4.0713 4.1558 4.1558 4.2092 4.2092 4.4003 4.4003 4.7883 4.7883 4.7984 4.7984 4.8980 4.8980 4.9726 4.9726 5.2016 5.2016 5.8737 5.8737 5.9173 5.9173 7.2827 7.2827 7.5553 7.5553 7.7429 7.7429 7.9901 7.9901 8.0566 8.0566 10.9713 10.9713 11.1370 11.1370 k = 0.0000 0.4655-0.0000 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0791 -7.0791 -6.7346 -6.7346 -6.3123 -6.3123 -6.3118 -6.3118 1.1850 1.1850 1.5129 1.5129 1.8065 1.8065 1.9362 1.9362 2.3907 2.3907 2.5121 2.5121 2.5643 2.5643 2.5762 2.5762 2.8905 2.8905 2.9042 2.9042 3.5228 3.5228 3.5441 3.5441 3.6191 3.6191 3.8438 3.8438 3.9632 3.9632 3.9904 3.9904 4.0756 4.0756 4.1542 4.1542 4.2088 4.2088 4.4004 4.4004 4.7903 4.7903 4.7971 4.7971 4.8991 4.8991 4.9813 4.9813 5.1849 5.1849 5.8727 5.8727 5.9171 5.9171 7.2805 7.2805 7.5572 7.5572 7.7428 7.7428 7.9882 7.9882 8.0536 8.0536 11.0136 11.0136 11.1297 11.1297 k = 0.0000 0.4828-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0723 -7.0723 -6.7421 -6.7421 -6.3122 -6.3122 -6.3117 -6.3117 1.1896 1.1896 1.5339 1.5339 1.7861 1.7861 1.9473 1.9473 2.3843 2.3843 2.5019 2.5019 2.5622 2.5622 2.5757 2.5757 2.8915 2.8915 2.9014 2.9014 3.5226 3.5226 3.5437 3.5437 3.6197 3.6197 3.8433 3.8433 3.9621 3.9621 3.9902 3.9902 4.0784 4.0784 4.1532 4.1532 4.2087 4.2087 4.4005 4.4005 4.7921 4.7921 4.7958 4.7958 4.8997 4.8997 4.9874 4.9874 5.1741 5.1741 5.8720 5.8720 5.9170 5.9170 7.2791 7.2791 7.5583 7.5583 7.7427 7.7427 7.9872 7.9872 8.0518 8.0518 11.0457 11.0457 11.1188 11.1188 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0700 -7.0700 -6.7446 -6.7446 -6.3122 -6.3122 -6.3117 -6.3117 1.1912 1.1912 1.5417 1.5417 1.7784 1.7784 1.9512 1.9512 2.3821 2.3821 2.4981 2.4981 2.5617 2.5617 2.5757 2.5757 2.8920 2.8920 2.9002 2.9002 3.5225 3.5225 3.5435 3.5435 3.6198 3.6198 3.8431 3.8431 3.9617 3.9617 3.9900 3.9900 4.0793 4.0793 4.1528 4.1528 4.2087 4.2087 4.4005 4.4005 4.7933 4.7933 4.7948 4.7948 4.8999 4.8999 4.9897 4.9897 5.1703 5.1703 5.8718 5.8718 5.9170 5.9170 7.2787 7.2787 7.5587 7.5587 7.7427 7.7427 7.9868 7.9868 8.0512 8.0512 11.0600 11.0600 11.1117 11.1117 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0700 -7.0700 -6.7446 -6.7446 -6.3122 -6.3122 -6.3117 -6.3117 1.1912 1.1912 1.5417 1.5417 1.7784 1.7784 1.9512 1.9512 2.3821 2.3821 2.4981 2.4981 2.5617 2.5617 2.5757 2.5757 2.8920 2.8920 2.9002 2.9002 3.5225 3.5225 3.5435 3.5435 3.6198 3.6198 3.8431 3.8431 3.9617 3.9617 3.9900 3.9900 4.0793 4.0793 4.1528 4.1528 4.2087 4.2087 4.4005 4.4005 4.7933 4.7933 4.7948 4.7948 4.8999 4.8999 4.9897 4.9897 5.1703 5.1703 5.8718 5.8718 5.9170 5.9170 7.2787 7.2787 7.5587 7.5587 7.7427 7.7427 7.9868 7.9868 8.0512 8.0512 11.0600 11.0600 11.1117 11.1117 k = 0.0172 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0695 -7.0695 -6.7443 -6.7443 -6.3127 -6.3126 -6.3121 -6.3121 1.1901 1.1932 1.5413 1.5419 1.7776 1.7786 1.9498 1.9532 2.3794 2.3847 2.4899 2.5050 2.5567 2.5657 2.5760 2.5772 2.8914 2.8916 2.8997 2.9004 3.5163 3.5223 3.5367 3.5442 3.6207 3.6251 3.8421 3.8442 3.9565 3.9664 3.9770 4.0051 4.0767 4.0826 4.1507 4.1547 4.2011 4.2210 4.3992 4.4032 4.7749 4.7927 4.7951 4.8019 4.8996 4.9104 4.9870 4.9925 5.1685 5.1738 5.8701 5.8716 5.9144 5.9178 7.2795 7.2802 7.5582 7.5596 7.7429 7.7444 7.9849 7.9884 8.0508 8.0513 11.0593 11.0643 11.1135 11.1172 k = 0.0345 0.5000-0.0000 ( 6520 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0680 -7.0679 -6.7435 -6.7435 -6.3142 -6.3141 -6.3130 -6.3130 1.1901 1.1961 1.5405 1.5418 1.7760 1.7780 1.9489 1.9556 2.3766 2.3872 2.4810 2.5100 2.5523 2.5666 2.5795 2.5799 2.8894 2.8904 2.8990 2.8998 3.5047 3.5156 3.5254 3.5385 3.6273 3.6350 3.8413 3.8451 3.9518 3.9619 3.9746 4.0211 4.0755 4.0852 4.1452 4.1600 4.2004 4.2355 4.3995 4.4072 4.7514 4.7882 4.7952 4.7988 4.9123 4.9243 4.9847 4.9962 5.1685 5.1792 5.8666 5.8697 5.9101 5.9168 7.2826 7.2842 7.5583 7.5610 7.7448 7.7481 7.9822 7.9898 8.0500 8.0515 11.0621 11.0720 11.1227 11.1299 k = 0.0517 0.5000-0.0000 ( 6522 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0655 -7.0654 -6.7421 -6.7421 -6.3169 -6.3168 -6.3143 -6.3143 1.1910 1.2000 1.5396 1.5414 1.7738 1.7767 1.9485 1.9586 2.3736 2.3894 2.4715 2.5124 2.5494 2.5654 2.5826 2.5859 2.8858 2.8887 2.8982 2.8984 3.4893 3.5039 3.5106 3.5278 3.6373 3.6473 3.8410 3.8457 3.9478 3.9517 3.9790 4.0374 4.0761 4.0864 4.1365 4.1704 4.2058 4.2502 4.4017 4.4129 4.7260 4.7758 4.7938 4.7948 4.9313 4.9367 4.9844 5.0026 5.1704 5.1866 5.8613 5.8660 5.9042 5.9142 7.2880 7.2904 7.5590 7.5628 7.7483 7.7537 7.9779 7.9908 8.0493 8.0526 11.0685 11.0832 11.1392 11.1499 k = 0.0690 0.5000-0.0000 ( 6530 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0620 -7.0619 -6.7402 -6.7402 -6.3207 -6.3205 -6.3162 -6.3162 1.1928 1.2048 1.5384 1.5408 1.7708 1.7747 1.9487 1.9622 2.3705 2.3914 2.4620 2.5117 2.5482 2.5635 2.5867 2.5928 2.8809 2.8864 2.8958 2.8977 3.4711 3.4886 3.4930 3.5136 3.6489 3.6607 3.8411 3.8457 3.9428 3.9446 3.9834 4.0527 4.0790 4.0863 4.1265 4.1858 4.2146 4.2638 4.4067 4.4206 4.7002 4.7573 4.7903 4.7940 4.9440 4.9457 4.9918 5.0133 5.1742 5.1960 5.8543 5.8607 5.8969 5.9102 7.2955 7.2988 7.5604 7.5653 7.7530 7.7610 7.9713 7.9907 8.0495 8.0553 11.0782 11.0977 11.1628 11.1770 k = 0.0862 0.5000-0.0000 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0575 -7.0574 -6.7378 -6.7377 -6.3255 -6.3252 -6.3186 -6.3186 1.1956 1.2105 1.5368 1.5399 1.7670 1.7720 1.9497 1.9664 2.3672 2.3928 2.4526 2.5086 2.5480 2.5612 2.5919 2.5999 2.8747 2.8835 2.8925 2.8968 3.4510 3.4691 3.4746 3.4969 3.6610 3.6743 3.8417 3.8453 3.9356 3.9423 3.9873 4.0651 4.0854 4.0854 4.1166 4.2052 4.2251 4.2748 4.4152 4.4304 4.6745 4.7364 4.7867 4.7929 4.9455 4.9484 5.0110 5.0280 5.1803 5.2075 5.8458 5.8539 5.8886 5.9051 7.3050 7.3092 7.5629 7.5684 7.7587 7.7700 7.9622 7.9888 8.0516 8.0599 11.0911 11.1153 11.1934 11.2109 k = 0.1034 0.5000-0.0000 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0521 -7.0519 -6.7348 -6.7347 -6.3314 -6.3310 -6.3215 -6.3214 1.1993 1.2170 1.5350 1.5387 1.7624 1.7685 1.9514 1.9715 2.3636 2.3932 2.4439 2.5040 2.5481 2.5588 2.5982 2.6072 2.8675 2.8799 2.8885 2.8957 3.4295 3.4459 3.4566 3.4785 3.6731 3.6877 3.8429 3.8445 3.9301 3.9409 3.9910 4.0733 4.0845 4.0954 4.1077 4.2271 4.2365 4.2824 4.4279 4.4427 4.6493 4.7144 4.7827 4.7915 4.9425 4.9443 5.0351 5.0447 5.1897 5.2217 5.8357 5.8456 5.8801 5.8994 7.3162 7.3215 7.5664 7.5725 7.7646 7.7804 7.9509 7.9851 8.0560 8.0666 11.1071 11.1357 11.2309 11.2516 k = 0.1207 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0457 -7.0454 -6.7313 -6.7312 -6.3382 -6.3378 -6.3249 -6.3248 1.2038 1.2242 1.5330 1.5373 1.7570 1.7642 1.9540 1.9773 2.3597 2.3920 2.4367 2.4989 2.5481 2.5563 2.6055 2.6147 2.8591 2.8752 2.8844 2.8944 3.4069 3.4207 3.4381 3.4589 3.6849 3.7006 3.8435 3.8446 3.9262 3.9402 3.9943 4.0790 4.0839 4.0983 4.1083 4.2487 4.2504 4.2863 4.4444 4.4576 4.6248 4.6920 4.7782 4.7900 4.9366 4.9376 5.0576 5.0608 5.2036 5.2386 5.8242 5.8356 5.8721 5.8938 7.3288 7.3354 7.5714 7.5775 7.7702 7.7915 7.9381 7.9803 8.0628 8.0749 11.1259 11.1588 11.2749 11.2986 k = 0.1379 0.5000-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0384 -7.0381 -6.7273 -6.7272 -6.3461 -6.3456 -6.3288 -6.3287 1.2091 1.2321 1.5307 1.5357 1.7507 1.7590 1.9577 1.9841 2.3554 2.3884 2.4317 2.4936 2.5478 2.5539 2.6134 2.6223 2.8497 2.8691 2.8804 2.8929 3.3835 3.3944 3.4190 3.4386 3.6960 3.7127 3.8426 3.8467 3.9237 3.9402 3.9976 4.0836 4.0839 4.0921 4.1181 4.2615 4.2742 4.2869 4.4641 4.4750 4.6014 4.6696 4.7731 4.7884 4.9286 4.9296 5.0749 5.0751 5.2232 5.2584 5.8115 5.8238 5.8656 5.8890 7.3426 7.3505 7.5779 7.5839 7.7745 7.8023 7.9251 7.9756 8.0714 8.0845 11.1471 11.1840 11.3252 11.3517 k = 0.1552 0.5000-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0301 -7.0298 -6.7228 -6.7227 -6.3549 -6.3544 -6.3331 -6.3330 1.2152 1.2407 1.5282 1.5338 1.7435 1.7531 1.9626 1.9920 2.3507 2.3821 2.4294 2.4884 2.5472 2.5516 2.6218 2.6300 2.8394 2.8614 2.8767 2.8911 3.3596 3.3677 3.3993 3.4179 3.7062 3.7238 3.8422 3.8493 3.9222 3.9409 4.0009 4.0843 4.0845 4.0905 4.1258 4.2753 4.2842 4.2988 4.4851 4.4947 4.5801 4.6473 4.7675 4.7866 4.9190 4.9210 5.0858 5.0865 5.2483 5.2808 5.7974 5.8102 5.8617 5.8858 7.3573 7.3665 7.5862 7.5917 7.7766 7.8111 7.9141 7.9725 8.0813 8.0950 11.1703 11.2110 11.3814 11.4105 k = 0.1724 0.5000-0.0000 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0210 -7.0206 -6.7179 -6.7178 -6.3646 -6.3641 -6.3379 -6.3378 1.2220 1.2498 1.5255 1.5317 1.7355 1.7462 1.9687 2.0011 2.3456 2.3737 2.4291 2.4835 2.5465 2.5495 2.6306 2.6379 2.8281 2.8524 2.8732 2.8892 3.3355 3.3410 3.3791 3.3968 3.7155 3.7340 3.8424 3.8521 3.9216 3.9423 4.0045 4.0804 4.0856 4.0945 4.1310 4.2801 4.2903 4.3224 4.5032 4.5160 4.5641 4.6255 4.7613 4.7849 4.9083 4.9121 5.0918 5.0930 5.2775 5.3051 5.7821 5.7949 5.8609 5.8852 7.3724 7.3831 7.5965 7.6013 7.7754 7.8146 7.9084 7.9721 8.0922 8.1062 11.1951 11.2393 11.4432 11.4745 k = 0.1897 0.5000-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0110 -7.0106 -6.7125 -6.7124 -6.3752 -6.3746 -6.3431 -6.3430 1.2295 1.2594 1.5225 1.5294 1.7264 1.7386 1.9763 2.0114 2.3401 2.3641 2.4301 2.4791 2.5457 2.5477 2.6395 2.6457 2.8160 2.8421 2.8698 2.8870 3.3115 3.3146 3.3583 3.3755 3.7238 3.7432 3.8436 3.8552 3.9216 3.9442 4.0083 4.0770 4.0873 4.0986 4.1340 4.2745 4.3064 4.3455 4.5074 4.5381 4.5640 4.6048 4.7545 4.7831 4.8969 4.9030 5.0921 5.0963 5.3087 5.3306 5.7656 5.7783 5.8640 5.8879 7.3877 7.3999 7.6089 7.6130 7.7705 7.8100 7.9112 7.9754 8.1037 8.1177 11.2209 11.2682 11.5100 11.5431 k = 0.2069 0.5000-0.0000 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.0002 -6.9998 -6.7067 -6.7066 -6.3867 -6.3860 -6.3487 -6.3486 1.2377 1.2694 1.5194 1.5270 1.7165 1.7300 1.9855 2.0230 2.3343 2.3539 2.4319 2.4751 2.5451 2.5462 2.6485 2.6537 2.8029 2.8306 2.8666 2.8848 3.2877 3.2889 3.3371 3.3540 3.7310 3.7516 3.8457 3.8585 3.9220 3.9464 4.0124 4.0746 4.0894 4.1020 4.1354 4.2678 4.3234 4.3679 4.4950 4.5567 4.5818 4.5891 4.7474 4.7812 4.8849 4.8941 5.0882 5.0956 5.3398 5.3561 5.7483 5.7608 5.8714 5.8947 7.4027 7.4162 7.6236 7.6268 7.7619 7.7982 7.9218 7.9825 8.1154 8.1293 11.2471 11.2971 11.5810 11.6154 k = 0.2241 0.5000-0.0000 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -6.9887 -6.9882 -6.7006 -6.7005 -6.3989 -6.3982 -6.3547 -6.3546 1.2464 1.2798 1.5161 1.5244 1.7056 1.7207 1.9962 2.0360 2.3281 2.3434 2.4341 2.4717 2.5447 2.5452 2.6576 2.6618 2.7890 2.8180 2.8636 2.8824 3.2641 3.2644 3.3155 3.3323 3.7373 3.7590 3.8488 3.8619 3.9226 3.9488 4.0169 4.0733 4.0919 4.1044 4.1363 4.2604 4.3412 4.3894 4.4775 4.5530 4.5969 4.6057 4.7400 4.7792 4.8730 4.8853 5.0809 5.0912 5.3694 5.3807 5.7301 5.7426 5.8837 5.9060 7.4173 7.4319 7.6404 7.6431 7.7502 7.7822 7.9374 7.9930 8.1270 8.1408 11.2730 11.3252 11.6555 11.6900 k = 0.2414 0.5000-0.0000 ( 6570 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -6.9764 -6.9759 -6.6941 -6.6940 -6.4118 -6.4111 -6.3611 -6.3609 1.2557 1.2904 1.5127 1.5216 1.6938 1.7105 2.0087 2.0504 2.3217 2.3330 2.4366 2.4688 2.5445 2.5447 2.6665 2.6699 2.7745 2.8042 2.8606 2.8800 3.2403 3.2416 3.2936 3.3106 3.7428 3.7658 3.8529 3.8653 3.9233 3.9510 4.0218 4.0727 4.0945 4.1053 4.1376 4.2527 4.3595 4.4097 4.4597 4.5355 4.6191 4.6308 4.7325 4.7770 4.8614 4.8770 5.0705 5.0832 5.3965 5.4036 5.7115 5.7240 5.9010 5.9220 7.4311 7.4465 7.6590 7.6619 7.7362 7.7645 7.9557 8.0061 8.1384 8.1519 11.2979 11.3516 11.7320 11.7633 k = 0.2586 0.5000-0.0000 ( 6570 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9634 -6.9629 -6.6873 -6.6872 -6.4255 -6.4248 -6.3677 -6.3675 1.2655 1.3013 1.5091 1.5188 1.6812 1.6995 2.0229 2.0662 2.3153 2.3228 2.4391 2.4664 2.5446 2.5446 2.6750 2.6781 2.7593 2.7893 2.8579 2.8775 3.2175 3.2196 3.2715 3.2888 3.7476 3.7719 3.8576 3.8689 3.9240 3.9528 4.0271 4.0725 4.0973 4.1050 4.1398 4.2449 4.3783 4.4254 4.4462 4.5165 4.6428 4.6555 4.7254 4.7741 4.8509 4.8691 5.0574 5.0719 5.4204 5.4242 5.6926 5.7052 5.9231 5.9426 7.4441 7.4599 7.6785 7.6831 7.7208 7.7475 7.9756 8.0212 8.1493 8.1624 11.3209 11.3754 11.8068 11.8224 k = 0.2759 0.5000-0.0000 ( 6566 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9499 -6.9493 -6.6803 -6.6801 -6.4397 -6.4390 -6.3746 -6.3744 1.2758 1.3125 1.5055 1.5160 1.6677 1.6878 2.0389 2.0835 2.3089 2.3130 2.4417 2.4643 2.5449 2.5451 2.6827 2.6862 2.7441 2.7733 2.8554 2.8750 3.1961 3.1983 3.2493 3.2672 3.7520 3.7775 3.8629 3.8725 3.9247 3.9541 4.0326 4.0719 4.1000 4.1047 4.1430 4.2374 4.3974 4.4187 4.4551 4.4978 4.6650 4.6789 4.7199 4.7702 4.8424 4.8617 5.0420 5.0576 5.4410 5.4424 5.6737 5.6865 5.9495 5.9672 7.4561 7.4719 7.6942 7.7032 7.7081 7.7364 7.9961 8.0375 8.1595 8.1721 11.3413 11.3958 11.8261 11.8589 k = 0.2931 0.5000-0.0000 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9358 -6.9352 -6.6730 -6.6729 -6.4545 -6.4537 -6.3816 -6.3815 1.2866 1.3238 1.5018 1.5131 1.6535 1.6754 2.0565 2.1020 2.3029 2.3037 2.4442 2.4627 2.5455 2.5461 2.6881 2.6943 2.7301 2.7562 2.8531 2.8726 3.1759 3.1779 3.2272 3.2458 3.7561 3.7827 3.8685 3.8762 3.9253 3.9547 4.0384 4.0702 4.1025 4.1054 4.1469 4.2304 4.4034 4.4164 4.4732 4.4800 4.6811 4.7002 4.7200 4.7647 4.8369 4.8550 5.0247 5.0407 5.4582 5.4582 5.6551 5.6681 5.9794 5.9952 7.4671 7.4826 7.6883 7.6931 7.7321 7.7442 8.0169 8.0544 8.1688 8.1810 11.3586 11.4120 11.7862 11.8315 k = 0.3103 0.5000-0.0000 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9212 -6.9206 -6.6656 -6.6655 -6.4698 -6.4690 -6.3889 -6.3887 1.2980 1.3352 1.4982 1.5103 1.6386 1.6625 2.0759 2.1216 2.2951 2.2973 2.4467 2.4613 2.5462 2.5475 2.6871 2.7021 2.7216 2.7381 2.8510 2.8702 3.1570 3.1586 3.2054 3.2248 3.7602 3.7874 3.8743 3.8799 3.9258 3.9545 4.0441 4.0672 4.1047 4.1077 4.1511 4.2241 4.3882 4.4338 4.4648 4.4918 4.6851 4.7188 4.7314 4.7574 4.8352 4.8490 5.0057 5.0216 5.4717 5.4726 5.6369 5.6501 6.0116 6.0254 7.4771 7.4920 7.6726 7.6799 7.7589 7.7662 8.0374 8.0714 8.1771 8.1887 11.3722 11.4237 11.7362 11.7774 k = 0.3276 0.5000-0.0000 ( 6550 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9062 -6.9056 -6.6581 -6.6580 -6.4853 -6.4845 -6.3962 -6.3960 1.3098 1.3468 1.4945 1.5076 1.6232 1.6490 2.0968 2.1421 2.2872 2.2926 2.4491 2.4601 2.5469 2.5493 2.6761 2.7084 2.7203 2.7222 2.8493 2.8678 3.1396 3.1403 3.1840 3.2043 3.7642 3.7917 3.8799 3.8837 3.9261 3.9535 4.0495 4.0633 4.1065 4.1113 4.1556 4.2188 4.3740 4.4370 4.4649 4.5103 4.6814 4.7336 4.7489 4.7491 4.8375 4.8440 4.9856 5.0007 5.4832 5.4843 5.6194 5.6327 6.0451 6.0568 7.4862 7.5002 7.6576 7.6649 7.7867 7.7922 8.0573 8.0881 8.1842 8.1953 11.3820 11.4307 11.6843 11.7207 k = 0.3448 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8910 -6.8903 -6.6507 -6.6506 -6.5011 -6.5003 -6.4035 -6.4033 1.3221 1.3586 1.4909 1.5051 1.6072 1.6351 2.1190 2.1630 2.2801 2.2892 2.4514 2.4590 2.5473 2.5513 2.6597 2.6965 2.7194 2.7274 2.8478 2.8656 3.1232 3.1238 3.1635 3.1846 3.7683 3.7957 3.8855 3.8875 3.9262 3.9517 4.0545 4.0591 4.1080 4.1157 4.1603 4.2147 4.3610 4.4240 4.4824 4.5287 4.6758 4.7363 4.7480 4.7671 4.8402 4.8433 4.9647 4.9785 5.4928 5.4940 5.6028 5.6162 6.0787 6.0885 7.4944 7.5073 7.6438 7.6504 7.8150 7.8194 8.0764 8.1041 8.1901 8.2005 11.3881 11.4332 11.6334 11.6652 k = 0.3621 0.5000-0.0000 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8756 -6.8750 -6.6433 -6.6432 -6.5170 -6.5162 -6.4107 -6.4105 1.3348 1.3704 1.4874 1.5029 1.5908 1.6209 2.1422 2.1833 2.2742 2.2879 2.4536 2.4579 2.5469 2.5534 2.6416 2.6755 2.7262 2.7337 2.8467 2.8634 3.1074 3.1094 3.1439 3.1658 3.7725 3.7992 3.8907 3.8914 3.9262 3.9491 4.0551 4.0587 4.1093 4.1202 4.1652 4.2118 4.3493 4.4092 4.5028 4.5469 4.6700 4.7262 4.7560 4.7823 4.8385 4.8511 4.9436 4.9556 5.5010 5.5017 5.5874 5.6008 6.1113 6.1194 7.5017 7.5134 7.6312 7.6371 7.8432 7.8468 8.0941 8.1189 8.1947 8.2044 11.3910 11.4318 11.5848 11.6123 k = 0.3793 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8603 -6.8597 -6.6362 -6.6361 -6.5328 -6.5320 -6.4177 -6.4176 1.3481 1.3823 1.4839 1.5010 1.5741 1.6066 2.1660 2.2016 2.2697 2.2901 2.4557 2.4567 2.5449 2.5554 2.6240 2.6534 2.7331 2.7401 2.8458 2.8613 3.0931 3.0967 3.1257 3.1482 3.7768 3.8022 3.8952 3.8955 3.9260 3.9461 4.0517 4.0617 4.1107 4.1244 4.1703 4.2101 4.3391 4.3947 4.5239 4.5648 4.6648 4.7155 4.7624 4.7925 4.8400 4.8590 4.9233 4.9333 5.5078 5.5079 5.5734 5.5865 6.1422 6.1487 7.5082 7.5186 7.6201 7.6253 7.8709 7.8738 8.1103 8.1322 8.1982 8.2071 11.3913 11.4274 11.5398 11.5634 k = 0.3966 0.5000-0.0000 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8453 -6.8447 -6.6294 -6.6293 -6.5482 -6.5475 -6.4244 -6.4242 1.3618 1.3942 1.4805 1.4996 1.5573 1.5922 2.1893 2.2159 2.2674 2.2977 2.4552 2.4577 2.5399 2.5566 2.6085 2.6310 2.7396 2.7460 2.8453 2.8593 3.0804 3.0857 3.1092 3.1319 3.7812 3.8046 3.8989 3.9000 3.9255 3.9425 4.0491 4.0632 4.1124 4.1278 4.1756 4.2093 4.3306 4.3809 4.5454 4.5825 4.6603 4.7050 4.7673 4.7967 4.8441 4.8637 4.9052 4.9141 5.5127 5.5133 5.5611 5.5738 6.1704 6.1755 7.5139 7.5229 7.6105 7.6150 7.8973 7.8996 8.1246 8.1435 8.2006 8.2085 11.3898 11.4209 11.4993 11.5191 k = 0.4138 0.5000-0.0000 ( 6538 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8309 -6.8303 -6.6232 -6.6231 -6.5630 -6.5623 -6.4305 -6.4304 1.3760 1.4061 1.4772 1.4986 1.5406 1.5779 2.2099 2.2248 2.2693 2.3117 2.4533 2.4597 2.5305 2.5557 2.5970 2.6096 2.7456 2.7512 2.8452 2.8573 3.0696 3.0764 3.0948 3.1171 3.7856 3.8065 3.9025 3.9040 3.9248 3.9388 4.0474 4.0632 4.1147 4.1303 4.1810 4.2091 4.3240 4.3681 4.5670 4.5996 4.6570 4.6951 4.7711 4.7962 4.8457 4.8590 4.8930 4.9039 5.5162 5.5176 5.5507 5.5628 6.1954 6.1993 7.5188 7.5264 7.6025 7.6063 7.9219 7.9237 8.1367 8.1523 8.2024 8.2091 11.3872 11.4131 11.4640 11.4801 k = 0.4310 0.5000-0.0000 ( 6534 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8174 -6.8169 -6.6176 -6.6176 -6.5766 -6.5759 -6.4360 -6.4359 1.3906 1.4176 1.4738 1.4979 1.5244 1.5640 2.2239 2.2292 2.2791 2.3305 2.4506 2.4616 2.5170 2.5493 2.5901 2.5928 2.7508 2.7556 2.8454 2.8555 3.0607 3.0685 3.0830 3.1039 3.7899 3.8076 3.9059 3.9077 3.9240 3.9349 4.0466 4.0620 4.1175 4.1319 4.1864 4.2091 4.3193 4.3563 4.5882 4.6159 4.6549 4.6862 4.7741 4.7930 4.8392 4.8438 4.8910 4.9038 5.5183 5.5205 5.5427 5.5538 6.2165 6.2194 7.5230 7.5291 7.5961 7.5992 7.9439 7.9452 8.1463 8.1585 8.2039 8.2091 11.3844 11.4050 11.4345 11.4472 k = 0.4483 0.5000-0.0000 ( 6534 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8056 -6.8052 -6.6131 -6.6131 -6.5885 -6.5879 -6.4406 -6.4405 1.4057 1.4287 1.4702 1.4955 1.5112 1.5507 2.2301 2.2311 2.2973 2.3509 2.4469 2.4637 2.5020 2.5336 2.5845 2.5865 2.7552 2.7590 2.8459 2.8537 3.0539 3.0616 3.0747 3.0926 3.7940 3.8079 3.9090 3.9109 3.9229 3.9312 4.0468 4.0598 4.1206 4.1324 4.1916 4.2088 4.3168 4.3457 4.6084 4.6303 4.6544 4.6786 4.7758 4.7878 4.8263 4.8277 4.8954 4.9068 5.5192 5.5214 5.5379 5.5470 6.2334 6.2355 7.5264 7.5310 7.5913 7.5936 7.9625 7.9634 8.1532 8.1619 8.2054 8.2089 11.3820 11.3971 11.4117 11.4209 k = 0.4655 0.5000-0.0000 ( 6526 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7962 -6.7958 -6.6098 -6.6097 -6.5978 -6.5973 -6.4440 -6.4439 1.4211 1.4388 1.4663 1.4847 1.5080 1.5383 2.2318 2.2319 2.3199 2.3679 2.4438 2.4658 2.4889 2.5116 2.5822 2.5846 2.7587 2.7613 2.8467 2.8520 3.0495 3.0555 3.0704 3.0834 3.7978 3.8074 3.9119 3.9138 3.9217 3.9277 4.0477 4.0572 4.1237 4.1321 4.1963 4.2080 4.3165 4.3364 4.6261 4.6413 4.6558 4.6728 4.7756 4.7812 4.8122 4.8171 4.9012 4.9093 5.5190 5.5204 5.5363 5.5425 6.2458 6.2471 7.5290 7.5321 7.5880 7.5896 7.9768 7.9774 8.1576 8.1630 8.2069 8.2089 11.3804 11.3894 11.3965 11.4015 k = 0.4828 0.5000-0.0000 ( 6530 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7900 -6.7898 -6.6084 -6.6083 -6.6032 -6.6029 -6.4462 -6.4461 1.4368 1.4477 1.4615 1.4694 1.5115 1.5273 2.2320 2.2322 2.3428 2.3731 2.4479 2.4681 2.4797 2.4883 2.5821 2.5835 2.7611 2.7624 2.8477 2.8504 3.0475 3.0507 3.0695 3.0763 3.8012 3.8061 3.9144 3.9160 3.9209 3.9245 4.0494 4.0543 4.1266 4.1309 4.2005 4.2064 4.3185 4.3286 4.6390 4.6466 4.6598 4.6690 4.7729 4.7747 4.8054 4.8095 4.9060 4.9102 5.5184 5.5189 5.5367 5.5397 6.2534 6.2541 7.5309 7.5324 7.5862 7.5870 7.9860 7.9863 8.1601 8.1627 8.2081 8.2089 11.3797 11.3825 11.3890 11.3897 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7877 -6.7877 -6.6086 -6.6086 -6.6042 -6.6042 -6.4469 -6.4469 1.4518 1.4518 1.4567 1.4567 1.5182 1.5182 2.2322 2.2322 2.3625 2.3625 2.4627 2.4627 2.4751 2.4751 2.5826 2.5826 2.7623 2.7623 2.8490 2.8490 3.0479 3.0479 3.0716 3.0716 3.8039 3.8039 3.9161 3.9161 3.9218 3.9218 4.0516 4.0516 4.1290 4.1290 4.2038 4.2038 4.3226 4.3226 4.6456 4.6456 4.6651 4.6651 4.7715 4.7715 4.8053 4.8053 4.9091 4.9091 5.5182 5.5182 5.5379 5.5379 6.2562 6.2562 7.5320 7.5320 7.5859 7.5859 7.9892 7.9892 8.1617 8.1617 8.2087 8.2087 11.3797 11.3797 11.3862 11.3862 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7877 -6.7877 -6.6086 -6.6086 -6.6042 -6.6042 -6.4469 -6.4469 1.4518 1.4518 1.4567 1.4567 1.5182 1.5182 2.2322 2.2322 2.3625 2.3625 2.4627 2.4627 2.4751 2.4751 2.5826 2.5826 2.7623 2.7623 2.8490 2.8490 3.0479 3.0479 3.0716 3.0716 3.8039 3.8039 3.9161 3.9161 3.9218 3.9218 4.0516 4.0516 4.1290 4.1290 4.2038 4.2038 4.3226 4.3226 4.6456 4.6456 4.6651 4.6651 4.7715 4.7715 4.8053 4.8053 4.9091 4.9091 5.5182 5.5182 5.5379 5.5379 6.2562 6.2562 7.5320 7.5320 7.5859 7.5859 7.9892 7.9892 8.1617 8.1617 8.2087 8.2087 11.3797 11.3797 11.3862 11.3862 k = 0.4875 0.4875-0.0000 ( 6526 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7901 -6.7899 -6.6079 -6.6078 -6.6036 -6.6033 -6.4461 -6.4461 1.4365 1.4480 1.4601 1.4707 1.5112 1.5277 2.2320 2.2322 2.3421 2.3733 2.4475 2.4691 2.4787 2.4892 2.5821 2.5835 2.7611 2.7624 2.8477 2.8505 3.0476 3.0508 3.0694 3.0766 3.8011 3.8061 3.9140 3.9165 3.9206 3.9246 4.0493 4.0544 4.1265 4.1309 4.2004 4.2064 4.3184 4.3288 4.6393 4.6453 4.6607 4.6687 4.7734 4.7744 4.8055 4.8097 4.9059 4.9102 5.5185 5.5189 5.5367 5.5397 6.2533 6.2539 7.5309 7.5325 7.5863 7.5871 7.9858 7.9861 8.1600 8.1627 8.2082 8.2088 11.3775 11.3800 11.3902 11.3936 k = 0.4750 0.4750-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7968 -6.7964 -6.6060 -6.6059 -6.6013 -6.6006 -6.4438 -6.4438 1.4212 1.4395 1.4617 1.4869 1.5078 1.5402 2.2318 2.2318 2.3177 2.3675 2.4440 2.4688 2.4870 2.5135 2.5817 2.5846 2.7588 2.7612 2.8465 2.8522 3.0497 3.0553 3.0700 3.0846 3.7976 3.8075 3.9107 3.9161 3.9204 3.9280 4.0475 4.0574 4.1236 4.1321 4.1960 4.2081 4.3163 4.3370 4.6285 4.6335 4.6623 4.6711 4.7770 4.7788 4.8135 4.8178 4.9009 4.9093 5.5198 5.5205 5.5361 5.5421 6.2454 6.2467 7.5289 7.5321 7.5881 7.5897 7.9763 7.9768 8.1566 8.1626 8.2081 8.2088 11.3669 11.3740 11.4099 11.4189 k = 0.4625 0.4625-0.0000 ( 6548 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8073 -6.8068 -6.6035 -6.6033 -6.5970 -6.5961 -6.4402 -6.4400 1.4068 1.4300 1.4605 1.4918 1.5174 1.5555 2.2300 2.2305 2.2925 2.3498 2.4489 2.4692 2.4995 2.5380 2.5814 2.5860 2.7560 2.7592 2.8455 2.8541 3.0536 3.0608 3.0737 3.0960 3.7935 3.8080 3.9069 3.9154 3.9203 3.9314 4.0461 4.0605 4.1204 4.1325 4.1908 4.2088 4.3162 4.3471 4.6139 4.6154 4.6675 4.6746 4.7758 4.7839 4.8291 4.8297 4.8949 4.9067 5.5220 5.5227 5.5360 5.5452 6.2326 6.2346 7.5261 7.5309 7.5915 7.5939 7.9616 7.9623 8.1496 8.1596 8.2099 8.2099 11.3504 11.3611 11.4453 11.4593 k = 0.4500 0.4500-0.0000 ( 6542 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8210 -6.8204 -6.6004 -6.6002 -6.5913 -6.5903 -6.4352 -6.4350 1.3931 1.4201 1.4566 1.4868 1.5380 1.5736 2.2248 2.2250 2.2711 2.3301 2.4554 2.4706 2.5151 2.5615 2.5815 2.5878 2.7534 2.7569 2.8447 2.8564 3.0581 3.0670 3.0816 3.1105 3.7892 3.8078 3.9030 3.9146 3.9202 3.9347 4.0453 4.0632 4.1175 4.1321 4.1850 4.2088 4.3183 4.3587 4.5950 4.5969 4.6747 4.6801 4.7723 4.7872 4.8423 4.8476 4.8906 4.9039 5.5249 5.5254 5.5366 5.5490 6.2154 6.2182 7.5226 7.5291 7.5963 7.5996 7.9427 7.9435 8.1382 8.1524 8.2131 8.2140 11.3285 11.3425 11.4944 11.5138 k = 0.4375 0.4375-0.0000 ( 6538 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8372 -6.8367 -6.5967 -6.5963 -6.5847 -6.5835 -6.4292 -6.4290 1.3800 1.4099 1.4505 1.4794 1.5616 1.5940 2.2079 2.2140 2.2609 2.3148 2.4615 2.4726 2.5318 2.5818 2.5830 2.5902 2.7515 2.7551 2.8442 2.8591 3.0626 3.0736 3.0936 3.1278 3.7846 3.8067 3.8990 3.9139 3.9200 3.9377 4.0449 4.0652 4.1151 4.1309 4.1785 4.2080 4.3224 4.3718 4.5738 4.5786 4.6833 4.6874 4.7673 4.7884 4.8481 4.8620 4.8945 4.9056 5.5283 5.5284 5.5379 5.5530 6.1944 6.1981 7.5184 7.5265 7.6025 7.6066 7.9206 7.9216 8.1228 8.1409 8.2183 8.2199 11.3016 11.3186 11.5557 11.5809 k = 0.4250 0.4250-0.0000 ( 6548 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8555 -6.8549 -6.5922 -6.5917 -6.5774 -6.5762 -6.4224 -6.4221 1.3672 1.3994 1.4423 1.4704 1.5872 1.6164 2.1812 2.1952 2.2610 2.3074 2.4674 2.4753 2.5478 2.5827 2.5922 2.6027 2.7512 2.7551 2.8439 2.8622 3.0673 3.0807 3.1088 3.1471 3.7799 3.8050 3.8947 3.9131 3.9196 3.9405 4.0448 4.0660 4.1135 4.1290 4.1716 4.2066 4.3284 4.3860 4.5525 4.5599 4.6930 4.6963 4.7613 4.7876 4.8437 4.8643 4.9094 4.9187 5.5318 5.5320 5.5398 5.5569 6.1702 6.1749 7.5136 7.5233 7.6101 7.6152 7.8962 7.8973 8.1041 8.1261 8.2247 8.2267 11.2701 11.2898 11.6272 11.6588 k = 0.4125 0.4125-0.0000 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8754 -6.8748 -6.5871 -6.5864 -6.5697 -6.5685 -6.4150 -6.4147 1.3544 1.3884 1.4322 1.4598 1.6145 1.6408 2.1508 2.1698 2.2662 2.3072 2.4733 2.4786 2.5616 2.5843 2.5954 2.6182 2.7532 2.7580 2.8439 2.8658 3.0726 3.0882 3.1265 3.1681 3.7753 3.8025 3.8902 3.9124 3.9191 3.9431 4.0451 4.0655 4.1130 4.1265 4.1643 4.2046 4.3363 4.4010 4.5317 4.5411 4.7036 4.7067 4.7543 4.7844 4.8353 4.8575 4.9298 4.9398 5.5357 5.5362 5.5419 5.5601 6.1438 6.1497 7.5081 7.5196 7.6189 7.6250 7.8702 7.8715 8.0831 8.1088 8.2315 8.2339 11.2344 11.2565 11.7064 11.7453 k = 0.4000 0.4000-0.0000 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.8965 -6.8959 -6.5812 -6.5804 -6.5618 -6.5605 -6.4073 -6.4068 1.3415 1.3767 1.4204 1.4477 1.6432 1.6667 2.1188 2.1404 2.2743 2.3122 2.4793 2.4822 2.5717 2.5876 2.5990 2.6297 2.7582 2.7648 2.8443 2.8700 3.0785 3.0963 3.1460 3.1902 3.7709 3.7995 3.8854 3.9118 3.9186 3.9455 4.0457 4.0636 4.1135 4.1236 4.1567 4.2022 4.3460 4.4162 4.5119 4.5226 4.7141 4.7179 4.7466 4.7781 4.8276 4.8473 4.9519 4.9633 5.5393 5.5411 5.5441 5.5621 6.1161 6.1234 7.5022 7.5153 7.6290 7.6362 7.8432 7.8447 8.0604 8.0899 8.2384 8.2411 11.1947 11.2188 11.7897 11.8373 k = 0.3875 0.3875-0.0000 ( 6550 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9185 -6.9180 -6.5746 -6.5738 -6.5535 -6.5523 -6.3993 -6.3989 1.3282 1.3643 1.4070 1.4341 1.6734 1.6941 2.0864 2.1091 2.2850 2.3210 2.4852 2.4861 2.5780 2.5925 2.6031 2.6371 2.7666 2.7760 2.8452 2.8749 3.0851 3.1048 3.1669 3.2131 3.7668 3.7960 3.8802 3.9111 3.9179 3.9477 4.0465 4.0607 4.1147 4.1201 4.1487 4.1994 4.3572 4.4304 4.4943 4.5045 4.7230 4.7280 4.7398 4.7694 4.8227 4.8358 4.9745 4.9872 5.5401 5.5464 5.5488 5.5626 6.0882 6.0971 7.4958 7.5106 7.6401 7.6484 7.8157 7.8175 8.0367 8.0702 8.2450 8.2479 11.1511 11.1769 11.8707 11.9306 k = 0.3750 0.3750-0.0000 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9414 -6.9408 -6.5673 -6.5664 -6.5450 -6.5438 -6.3914 -6.3909 1.3142 1.3508 1.3920 1.4188 1.7046 1.7226 2.0539 2.0770 2.2980 2.3327 2.4901 2.4910 2.5821 2.5975 2.6075 2.6412 2.7783 2.7909 2.8468 2.8805 3.0923 3.1138 3.1888 3.2366 3.7630 3.7921 3.8745 3.9105 3.9173 3.9497 4.0474 4.0571 4.1163 4.1164 4.1405 4.1964 4.3697 4.4393 4.4829 4.4869 4.7236 4.7252 4.7466 4.7633 4.8211 4.8243 4.9969 5.0108 5.5370 5.5491 5.5562 5.5640 6.0613 6.0721 7.4893 7.5056 7.6521 7.6616 7.7881 7.7905 8.0127 8.0502 8.2511 8.2542 11.1039 11.1311 11.8920 11.9062 k = 0.3625 0.3625-0.0000 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.9647 -6.9642 -6.5595 -6.5585 -6.5363 -6.5351 -6.3837 -6.3831 1.2995 1.3361 1.3755 1.4020 1.7367 1.7518 2.0217 2.0450 2.3135 2.3468 2.4940 2.4963 2.5859 2.6017 2.6120 2.6438 2.7930 2.8084 2.8494 2.8870 3.1001 3.1232 3.2113 3.2603 3.7597 3.7877 3.8684 3.9099 3.9166 3.9516 4.0483 4.0532 4.1123 4.1181 4.1319 4.1932 4.3831 4.4350 4.4699 4.4856 4.7117 4.7155 4.7595 4.7652 4.8134 4.8223 5.0192 5.0337 5.5301 5.5444 5.5658 5.5707 6.0365 6.0493 7.4826 7.5003 7.6647 7.6751 7.7608 7.7643 7.9889 8.0306 8.2565 8.2599 11.0531 11.0812 11.8347 11.8438 k = 0.3500 0.3500-0.0000 ( 6548 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9884 -6.9880 -6.5510 -6.5499 -6.5273 -6.5261 -6.3762 -6.3756 1.2838 1.3202 1.3576 1.3836 1.7691 1.7810 1.9905 2.0140 2.3312 2.3631 2.4976 2.5008 2.5892 2.6059 2.6155 2.6468 2.8097 2.8265 2.8543 2.8948 3.1085 3.1330 3.2343 3.2841 3.7568 3.7830 3.8620 3.9092 3.9159 3.9536 4.0490 4.0492 4.1081 4.1196 4.1236 4.1900 4.3967 4.4214 4.4542 4.4984 4.6975 4.6982 4.7711 4.7724 4.8042 4.8264 5.0412 5.0560 5.5189 5.5331 5.5776 5.5815 6.0148 6.0297 7.4760 7.4950 7.6777 7.6874 7.7341 7.7406 7.9659 8.0119 8.2611 8.2648 10.9986 11.0274 11.7732 11.7820 k = 0.3375 0.3375-0.0000 ( 6548 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -7.0124 -7.0120 -6.5420 -6.5409 -6.5181 -6.5169 -6.3691 -6.3684 1.2670 1.3029 1.3384 1.3638 1.8009 1.8088 1.9611 1.9856 2.3512 2.3812 2.5008 2.5044 2.5912 2.6119 2.6173 2.6520 2.8276 2.8407 2.8653 2.9043 3.1175 3.1430 3.2574 3.3079 3.7544 3.7780 3.8552 3.9085 3.9151 3.9555 4.0454 4.0494 4.1040 4.1131 4.1229 4.1868 4.4053 4.4082 4.4416 4.5143 4.6778 4.6814 4.7764 4.7817 4.7998 4.8329 5.0633 5.0778 5.5032 5.5165 5.5914 5.5947 5.9967 6.0138 7.4696 7.4898 7.6900 7.6907 7.7087 7.7270 7.9441 7.9947 8.2649 8.2687 10.9406 10.9696 11.7125 11.7215 k = 0.3250 0.3250-0.0000 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.0364 -7.0361 -6.5325 -6.5313 -6.5087 -6.5075 -6.3624 -6.3617 1.2492 1.2843 1.3179 1.3427 1.8290 1.8318 1.9365 1.9630 2.3732 2.4009 2.5034 2.5070 2.5918 2.6173 2.6207 2.6602 2.8454 2.8485 2.8846 2.9163 3.1270 3.1535 3.2806 3.3313 3.7523 3.7727 3.8485 3.9078 3.9143 3.9575 4.0420 4.0490 4.1001 4.1035 4.1252 4.1838 4.3890 4.4089 4.4405 4.5311 4.6558 4.6636 4.7802 4.7811 4.8061 4.8412 5.0859 5.0996 5.4830 5.4954 5.6073 5.6099 5.9827 6.0017 7.4636 7.4848 7.6754 7.6810 7.7049 7.7328 7.9244 7.9797 8.2676 8.2717 10.8790 10.9078 11.6538 11.6630 k = 0.3125 0.3125-0.0000 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.0604 -7.0601 -6.5225 -6.5213 -6.4991 -6.4979 -6.3562 -6.3554 1.2304 1.2644 1.2963 1.3203 1.8426 1.8439 1.9260 1.9537 2.3969 2.4215 2.5053 2.5086 2.5917 2.6163 2.6320 2.6710 2.8539 2.8619 2.9080 2.9315 3.1369 3.1642 3.3037 3.3544 3.7505 3.7672 3.8419 3.9070 3.9133 3.9596 4.0389 4.0474 4.0935 4.0969 4.1277 4.1810 4.3729 4.3978 4.4517 4.5479 4.6330 4.6445 4.7764 4.7826 4.8168 4.8499 5.1095 5.1218 5.4587 5.4701 5.6250 5.6269 5.9725 5.9932 7.4582 7.4801 7.6536 7.6571 7.7161 7.7452 7.9075 7.9674 8.2693 8.2737 10.8139 10.8422 11.5976 11.6067 k = 0.3000 0.3000-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.0843 -7.0840 -6.5122 -6.5109 -6.4892 -6.4881 -6.3505 -6.3497 1.2105 1.2432 1.2737 1.2967 1.8347 1.8348 1.9405 1.9638 2.4216 2.4423 2.5064 2.5096 2.5918 2.6152 2.6455 2.6840 2.8588 2.8762 2.9332 2.9507 3.1474 3.1752 3.3264 3.3769 3.7487 3.7613 3.8359 3.9062 3.9120 3.9618 4.0363 4.0444 4.0831 4.0948 4.1304 4.1785 4.3575 4.3839 4.4659 4.5646 4.6096 4.6246 4.7721 4.7842 4.8271 4.8581 5.1346 5.1450 5.4309 5.4417 5.6442 5.6453 5.9658 5.9878 7.4534 7.4759 7.6313 7.6338 7.7260 7.7569 7.8948 7.9586 8.2700 8.2746 10.7454 10.7727 11.5444 11.5531 k = 0.2875 0.2875-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.1079 -7.1076 -6.5015 -6.5002 -6.4793 -6.4781 -6.3453 -6.3445 1.1897 1.2211 1.2501 1.2723 1.8119 1.8144 1.9692 1.9875 2.4466 2.4619 2.5069 2.5105 2.5933 2.6150 2.6609 2.6987 2.8640 2.8882 2.9596 2.9735 3.1584 3.1865 3.3487 3.3988 3.7466 3.7553 3.8309 3.9054 3.9104 3.9642 4.0342 4.0397 4.0727 4.0941 4.1333 4.1762 4.3427 4.3696 4.4803 4.5794 4.5877 4.6044 4.7687 4.7854 4.8359 4.8651 5.1617 5.1698 5.4006 5.4110 5.6647 5.6649 5.9618 5.9849 7.4494 7.4722 7.6095 7.6115 7.7337 7.7651 7.8882 7.9537 8.2695 8.2744 10.6736 10.6996 11.4943 11.5023 k = 0.2750 0.2750-0.0000 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7494 -31.7494 -7.1312 -7.1309 -6.4906 -6.4892 -6.4691 -6.4680 -6.3406 -6.3398 1.1682 1.1980 1.2258 1.2470 1.7852 1.7888 2.0023 2.0170 2.4708 2.4780 2.5068 2.5121 2.5976 2.6168 2.6777 2.7149 2.8696 2.8986 2.9869 2.9993 3.1699 3.1980 3.3704 3.4198 3.7440 3.7491 3.8275 3.9046 3.9082 3.9668 4.0324 4.0335 4.0626 4.0945 4.1365 4.1743 4.3287 4.3552 4.4934 4.5615 4.5851 4.5980 4.7665 4.7865 4.8429 4.8704 5.1909 5.1967 5.3684 5.3788 5.6854 5.6861 5.9600 5.9838 7.4463 7.4691 7.5887 7.5904 7.7386 7.7681 7.8890 7.9533 8.2680 8.2731 10.5985 10.6231 11.4475 11.4545 k = 0.2625 0.2625-0.0000 ( 6564 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7494 -31.7494 -7.1540 -7.1538 -6.4795 -6.4781 -6.4590 -6.4579 -6.3365 -6.3356 1.1461 1.1742 1.2009 1.2211 1.7576 1.7614 2.0367 2.0487 2.4881 2.4922 2.5061 2.5154 2.6066 2.6220 2.6957 2.7322 2.8756 2.9079 3.0150 3.0274 3.1820 3.2099 3.3913 3.4398 3.7403 3.7426 3.8262 3.9037 3.9053 3.9694 4.0263 4.0305 4.0536 4.0960 4.1400 4.1726 4.3156 4.3412 4.5027 4.5380 4.5693 4.6137 4.7655 4.7876 4.8479 4.8742 5.2221 5.2258 5.3353 5.3462 5.7063 5.7080 5.9596 5.9838 7.4441 7.4666 7.5689 7.5703 7.7408 7.7660 7.8969 7.9572 8.2654 8.2708 10.5204 10.5433 11.4039 11.4097 k = 0.2500 0.2500-0.0000 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7494 -31.7494 -7.1763 -7.1761 -6.4682 -6.4668 -6.4487 -6.4477 -6.3328 -6.3320 1.1235 1.1499 1.1755 1.1947 1.7299 1.7337 2.0712 2.0811 2.4920 2.5043 2.5097 2.5191 2.6210 2.6323 2.7148 2.7505 2.8822 2.9164 3.0437 3.0572 3.1947 3.2220 3.4113 3.4587 3.7354 3.7359 3.8274 3.9012 3.9024 3.9719 4.0187 4.0277 4.0470 4.0982 4.1438 4.1711 4.3034 4.3273 4.5027 4.5146 4.5625 4.6292 4.7656 4.7888 4.8511 4.8764 5.2538 5.2570 5.3022 5.3153 5.7274 5.7299 5.9602 5.9844 7.4427 7.4647 7.5502 7.5514 7.7407 7.7606 7.9100 7.9649 8.2619 8.2675 10.4395 10.4607 11.3634 11.3678 k = 0.2375 0.2375-0.0000 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7494 -31.7494 -7.1980 -7.1978 -6.4568 -6.4554 -6.4385 -6.4375 -6.3296 -6.3288 1.1007 1.1253 1.1498 1.1680 1.7026 1.7061 2.1055 2.1137 2.4925 2.5029 2.5206 2.5212 2.6403 2.6484 2.7347 2.7694 2.8892 2.9244 3.0730 3.0883 3.2082 3.2345 3.4303 3.4763 3.7290 3.7291 3.8313 3.8958 3.9003 3.9742 4.0113 4.0238 4.0439 4.1008 4.1477 4.1698 4.2921 4.3137 4.4908 4.4915 4.5676 4.6443 4.7668 4.7901 4.8526 4.8775 5.2662 5.2667 5.2938 5.3058 5.7483 5.7517 5.9611 5.9852 7.4421 7.4633 7.5326 7.5337 7.7392 7.7542 7.9262 7.9756 8.2575 8.2634 10.3560 10.3754 11.3259 11.3288 k = 0.2250 0.2250-0.0000 ( 6576 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.2190 -7.2189 -6.4454 -6.4441 -6.4284 -6.4274 -6.3269 -6.3261 1.0778 1.1007 1.1240 1.1412 1.6759 1.6790 2.1390 2.1457 2.4914 2.5008 2.5212 2.5265 2.6627 2.6695 2.7551 2.7887 2.8968 2.9320 3.1025 3.1202 3.2225 3.2473 3.4481 3.4925 3.7218 3.7220 3.8376 3.8886 3.8968 3.9759 4.0046 4.0203 4.0433 4.1036 4.1519 4.1687 4.2820 4.3005 4.4688 4.4726 4.5793 4.6591 4.7691 4.7917 4.8527 4.8778 5.2343 5.2408 5.3291 5.3376 5.7687 5.7728 5.9621 5.9858 7.4420 7.4620 7.5162 7.5172 7.7371 7.7483 7.9437 7.9883 8.2524 8.2585 10.2701 10.2878 11.2914 11.2926 k = 0.2125 0.2125-0.0000 ( 6572 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7493 -31.7493 -7.2393 -7.2391 -6.4341 -6.4328 -6.4184 -6.4174 -6.3246 -6.3238 1.0551 1.0762 1.0982 1.1145 1.6498 1.6525 2.1716 2.1771 2.4898 2.4985 2.5197 2.5286 2.6866 2.6936 2.7760 2.8082 2.9048 2.9393 3.1321 3.1526 3.2379 3.2606 3.4647 3.5073 3.7135 3.7148 3.8460 3.8796 3.8912 3.9772 3.9993 4.0192 4.0446 4.1064 4.1562 4.1676 4.2731 4.2875 4.4466 4.4522 4.5937 4.6736 4.7724 4.7933 4.8517 4.8776 5.2023 5.2101 5.3676 5.3769 5.7885 5.7932 5.9629 5.9860 7.4423 7.4608 7.5009 7.5018 7.7357 7.7442 7.9617 8.0022 8.2467 8.2530 10.1821 10.1981 11.2590 11.2595 k = 0.2000 0.2000-0.0000 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.2587 -7.2586 -6.4230 -6.4216 -6.4085 -6.4075 -6.3226 -6.3218 1.0327 1.0521 1.0726 1.0880 1.6246 1.6269 2.2032 2.2075 2.4878 2.4960 2.5173 2.5283 2.7108 2.7190 2.7972 2.8277 2.9134 2.9464 3.1614 3.1852 3.2546 3.2743 3.4801 3.5205 3.7047 3.7075 3.8547 3.8703 3.8829 3.9785 3.9955 4.0209 4.0470 4.1089 4.1606 4.1667 4.2653 4.2749 4.4251 4.4311 4.6094 4.6878 4.7767 4.7951 4.8500 4.8776 5.1713 5.1798 5.4078 5.4183 5.8073 5.8124 5.9632 5.9856 7.4425 7.4593 7.4868 7.4876 7.7357 7.7427 7.9793 8.0164 8.2406 8.2471 10.0923 10.1067 11.2280 11.2303 k = 0.1875 0.1875-0.0000 ( 6573 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.2773 -7.2772 -6.4120 -6.4107 -6.3989 -6.3979 -6.3210 -6.3203 1.0108 1.0285 1.0474 1.0619 1.6002 1.6021 2.2333 2.2368 2.4857 2.4934 2.5144 2.5266 2.7347 2.7442 2.8184 2.8469 2.9223 2.9532 3.1901 3.2176 3.2725 3.2885 3.4941 3.5321 3.6954 3.7001 3.8508 3.8718 3.8735 3.9806 3.9933 4.0253 4.0502 4.1108 4.1649 4.1661 4.2588 4.2626 4.4043 4.4100 4.6260 4.7017 4.7818 4.7969 4.8478 4.8778 5.1416 5.1505 5.4495 5.4610 5.8250 5.8304 5.9630 5.9843 7.4424 7.4572 7.4738 7.4745 7.7380 7.7444 7.9961 8.0302 8.2343 8.2410 10.0008 10.0137 11.1995 11.2036 k = 0.1750 0.1750-0.0000 ( 6589 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.2949 -7.2949 -6.4014 -6.4001 -6.3895 -6.3886 -6.3198 -6.3190 0.9896 1.0057 1.0229 1.0363 1.5769 1.5784 2.2620 2.2647 2.4835 2.4907 2.5112 2.5241 2.7577 2.7683 2.8395 2.8657 2.9317 2.9598 3.2180 3.2495 3.2920 3.3033 3.5068 3.5422 3.6860 3.6926 3.8366 3.8580 3.8866 3.9837 3.9925 4.0317 4.0541 4.1120 4.1658 4.1692 4.2506 4.2534 4.3842 4.3893 4.6432 4.7151 4.7877 4.7988 4.8454 4.8787 5.1132 5.1225 5.4921 5.5045 5.8413 5.8468 5.9620 5.9822 7.4416 7.4542 7.4618 7.4626 7.7434 7.7498 8.0117 8.0433 8.2281 8.2348 9.9081 9.9196 11.1735 11.1792 k = 0.1625 0.1625-0.0000 ( 6593 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3116 -7.3115 -6.3911 -6.3899 -6.3805 -6.3797 -6.3188 -6.3181 0.9692 0.9837 0.9991 1.0116 1.5546 1.5559 2.2891 2.2911 2.4813 2.4880 2.5079 2.5211 2.7794 2.7908 2.8602 2.8840 2.9415 2.9661 3.2448 3.2802 3.3130 3.3190 3.5182 3.5509 3.6764 3.6851 3.8201 3.8421 3.9019 3.9879 3.9932 4.0396 4.0587 4.1122 4.1661 4.1732 4.2392 4.2492 4.3649 4.3691 4.6611 4.7279 4.7943 4.8010 4.8431 4.8804 5.0865 5.0960 5.5354 5.5484 5.8562 5.8616 5.9604 5.9793 7.4397 7.4499 7.4514 7.4518 7.7524 7.7593 8.0259 8.0551 8.2222 8.2289 9.8144 9.8246 11.1498 11.1570 k = 0.1500 0.1500-0.0000 ( 6581 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3272 -7.3271 -6.3812 -6.3800 -6.3719 -6.3711 -6.3180 -6.3173 0.9498 0.9629 0.9762 0.9878 1.5335 1.5346 2.3144 2.3159 2.4793 2.4855 2.5048 2.5179 2.7996 2.8112 2.8804 2.9017 2.9515 2.9722 3.2705 3.3092 3.3353 3.3360 3.5285 3.5582 3.6669 3.6775 3.8022 3.8247 3.9183 3.9927 3.9951 4.0485 4.0639 4.1114 4.1671 4.1769 4.2282 4.2460 4.3465 4.3497 4.6793 4.7397 4.8015 4.8037 4.8413 4.8832 5.0614 5.0711 5.5789 5.5922 5.8696 5.8746 5.9581 5.9755 7.4363 7.4409 7.4425 7.4457 7.7654 7.7730 8.0384 8.0653 8.2168 8.2233 9.7202 9.7291 11.1284 11.1371 k = 0.1375 0.1375-0.0000 ( 6587 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7493 -31.7493 -7.3417 -7.3417 -6.3718 -6.3707 -6.3637 -6.3630 -6.3175 -6.3168 0.9314 0.9432 0.9545 0.9651 1.5137 1.5145 2.3378 2.3389 2.4774 2.4831 2.5018 2.5146 2.8182 2.8293 2.8999 2.9188 2.9614 2.9781 3.2953 3.3352 3.3550 3.3584 3.5376 3.5642 3.6574 3.6699 3.7834 3.8059 3.9352 3.9979 3.9981 4.0579 4.0700 4.1097 4.1687 4.1799 4.2178 4.2436 4.3288 4.3311 4.6975 4.7501 4.8073 4.8088 4.8404 4.8868 5.0382 5.0480 5.6221 5.6354 5.8812 5.8857 5.9552 5.9710 7.4307 7.4320 7.4354 7.4400 7.7824 7.7907 8.0493 8.0740 8.2121 8.2183 9.6259 9.6336 11.1093 11.1192 k = 0.1250 0.1250-0.0000 ( 6583 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3551 -7.3551 -6.3630 -6.3620 -6.3561 -6.3554 -6.3171 -6.3165 0.9144 0.9247 0.9341 0.9438 1.4953 1.4959 2.3592 2.3600 2.4757 2.4810 2.4990 2.5113 2.8351 2.8451 2.9185 2.9350 2.9711 2.9838 3.3196 3.3574 3.3769 3.3817 3.5456 3.5691 3.6481 3.6622 3.7639 3.7863 3.9522 4.0021 4.0034 4.0670 4.0771 4.1073 4.1709 4.1822 4.2082 4.2418 4.3120 4.3136 4.7152 4.7583 4.8123 4.8162 4.8409 4.8914 5.0169 5.0267 5.6644 5.6775 5.8913 5.8950 5.9520 5.9658 7.4235 7.4241 7.4299 7.4338 7.8033 7.8121 8.0589 8.0812 8.2082 8.2139 9.5320 9.5386 11.0924 11.1033 k = 0.1125 0.1125-0.0000 ( 6579 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3674 -7.3673 -6.3548 -6.3539 -6.3490 -6.3483 -6.3168 -6.3163 0.8986 0.9077 0.9151 0.9239 1.4783 1.4788 2.3783 2.3789 2.4745 2.4792 2.4965 2.5080 2.8502 2.8587 2.9359 2.9503 2.9804 2.9892 3.3435 3.3770 3.4002 3.4047 3.5526 3.5731 3.6390 3.6545 3.7440 3.7659 3.9690 4.0071 4.0089 4.0753 4.0855 4.1045 4.1733 4.1832 4.1997 4.2404 4.2961 4.2973 4.7315 4.7642 4.8189 4.8232 4.8437 4.8968 4.9978 5.0074 5.7054 5.7180 5.8996 5.9022 5.9484 5.9602 7.4167 7.4170 7.4243 7.4271 7.8275 7.8365 8.0675 8.0873 8.2051 8.2101 9.4391 9.4447 11.0778 11.0894 k = 0.1000 0.1000-0.0000 ( 6555 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3784 -7.3784 -6.3473 -6.3465 -6.3425 -6.3418 -6.3167 -6.3162 0.8843 0.8922 0.8978 0.9056 1.4629 1.4632 2.3951 2.3956 2.4738 2.4781 2.4943 2.5050 2.8635 2.8702 2.9520 2.9645 2.9890 2.9944 3.3675 3.3957 3.4230 3.4269 3.5586 3.5762 3.6302 3.6467 3.7238 3.7449 3.9850 4.0131 4.0143 4.0826 4.0947 4.1015 4.1758 4.1821 4.1928 4.2391 4.2812 4.2827 4.7454 4.7678 4.8264 4.8297 4.8494 4.9029 4.9809 4.9903 5.7445 5.7564 5.9063 5.9076 5.9449 5.9543 7.4106 7.4108 7.4184 7.4204 7.8543 7.8631 8.0760 8.0930 8.2027 8.2069 9.3480 9.3526 11.0653 11.0772 k = 0.0875 0.0875-0.0000 ( 6563 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3882 -7.3882 -6.3405 -6.3399 -6.3366 -6.3360 -6.3166 -6.3162 0.8715 0.8783 0.8822 0.8890 1.4491 1.4493 2.4093 2.4097 2.4738 2.4777 2.4924 2.5021 2.8749 2.8798 2.9666 2.9774 2.9966 2.9992 3.3915 3.4143 3.4443 3.4481 3.5636 3.5786 3.6215 3.6387 3.7034 3.7235 3.9996 4.0194 4.0204 4.0891 4.0986 4.1038 4.1782 4.1785 4.1880 4.2374 4.2675 4.2701 4.7558 4.7696 4.8341 4.8357 4.8582 4.9094 4.9664 4.9756 5.7810 5.7919 5.9111 5.9115 5.9417 5.9484 7.4053 7.4055 7.4126 7.4139 7.8823 7.8904 8.0854 8.0995 8.2007 8.2042 9.2596 9.2632 11.0550 11.0668 k = 0.0750 0.0750-0.0000 ( 6577 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3968 -7.3968 -6.3346 -6.3341 -6.3314 -6.3308 -6.3166 -6.3162 0.8603 0.8661 0.8684 0.8743 1.4369 1.4371 2.4206 2.4210 2.4748 2.4783 2.4909 2.4994 2.8846 2.8879 2.9796 2.9888 3.0033 3.0038 3.4155 3.4330 3.4639 3.4679 3.5676 3.5803 3.6131 3.6306 3.6831 3.7017 4.0118 4.0242 4.0295 4.0950 4.0962 4.1120 4.1738 4.1802 4.1840 4.2343 4.2560 4.2598 4.7627 4.7704 4.8409 4.8414 4.8693 4.9161 4.9544 4.9632 5.8143 5.8240 5.9129 5.9153 5.9390 5.9427 7.4008 7.4009 7.4069 7.4078 7.9098 7.9166 8.0971 8.1079 8.1991 8.2019 9.1750 9.1777 11.0466 11.0566 k = 0.0625 0.0625-0.0000 ( 6573 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4041 -7.4041 -6.3296 -6.3292 -6.3268 -6.3263 -6.3166 -6.3162 0.8508 0.8555 0.8567 0.8616 1.4266 1.4266 2.4290 2.4293 2.4769 2.4798 2.4898 2.4970 2.8925 2.8946 2.9910 2.9985 3.0079 3.0088 3.4397 3.4520 3.4818 3.4864 3.5703 3.5815 3.6050 3.6224 3.6630 3.6796 4.0213 4.0286 4.0407 4.0944 4.1000 4.1186 4.1698 4.1797 4.1819 4.2283 4.2482 4.2521 4.7666 4.7705 4.8463 4.8464 4.8821 4.9225 4.9451 4.9533 5.8438 5.8521 5.9133 5.9176 5.9369 5.9379 7.3970 7.3971 7.4018 7.4023 7.9347 7.9396 8.1124 8.1199 8.1978 8.1999 9.0957 9.0976 11.0401 11.0468 k = 0.0500 0.0500-0.0000 ( 6579 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4101 -7.4101 -6.3255 -6.3253 -6.3230 -6.3226 -6.3166 -6.3162 0.8430 0.8468 0.8470 0.8509 1.4180 1.4180 2.4348 2.4350 2.4800 2.4823 2.4890 2.4949 2.8988 2.8999 3.0005 3.0065 3.0116 3.0132 3.4637 3.4712 3.4979 3.5034 3.5716 3.5818 3.5974 3.6142 3.6435 3.6574 4.0284 4.0325 4.0528 4.0935 4.1035 4.1225 4.1671 4.1759 4.1829 4.2190 4.2443 4.2469 4.7685 4.7702 4.8501 4.8503 4.8952 4.9282 4.9385 4.9458 5.8688 5.8753 5.9129 5.9185 5.9346 5.9357 7.3939 7.3941 7.3973 7.3976 7.9548 7.9578 8.1318 8.1361 8.1966 8.1982 9.0237 9.0249 11.0356 11.0399 k = 0.0375 0.0375-0.0000 ( 6591 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4147 -7.4147 -6.3224 -6.3223 -6.3200 -6.3196 -6.3165 -6.3162 0.8371 0.8395 0.8398 0.8425 1.4112 1.4113 2.4384 2.4385 2.4833 2.4850 2.4886 2.4931 2.9035 2.9040 3.0082 3.0127 3.0147 3.0165 3.4876 3.4903 3.5121 3.5187 3.5708 3.5809 3.5902 3.6062 3.6254 3.6354 4.0338 4.0357 4.0651 4.0937 4.1051 4.1226 4.1660 4.1744 4.1832 4.2085 4.2424 4.2436 4.7691 4.7697 4.8525 4.8527 4.9077 4.9326 4.9343 4.9404 5.8885 5.8930 5.9121 5.9176 5.9337 5.9353 7.3916 7.3917 7.3936 7.3937 7.9693 7.9706 8.1535 8.1554 8.1957 8.1968 8.9617 8.9622 11.0319 11.0362 k = 0.0250 0.0250-0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4181 -7.4181 -6.3203 -6.3203 -6.3177 -6.3175 -6.3163 -6.3161 0.8329 0.8343 0.8347 0.8362 1.4064 1.4064 2.4404 2.4404 2.4863 2.4874 2.4885 2.4915 2.9068 2.9069 3.0139 3.0168 3.0171 3.0186 3.5093 3.5109 3.5246 3.5319 3.5677 3.5781 3.5820 3.5980 3.6109 3.6151 4.0375 4.0381 4.0772 4.0950 4.1047 4.1182 4.1676 4.1752 4.1827 4.1981 4.2412 4.2416 4.7691 4.7692 4.8539 4.8540 4.9183 4.9322 4.9350 4.9366 5.9022 5.9046 5.9115 5.9157 5.9349 5.9357 7.3899 7.3900 7.3909 7.3909 7.9783 7.9787 8.1742 8.1746 8.1950 8.1957 8.9128 8.9130 11.0298 11.0330 k = 0.0125 0.0125-0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4201 -7.4201 -6.3192 -6.3192 -6.3163 -6.3162 -6.3160 -6.3159 0.8306 0.8312 0.8316 0.8322 1.4035 1.4035 2.4414 2.4414 2.4884 2.4888 2.4890 2.4903 2.9087 2.9087 3.0177 3.0188 3.0191 3.0197 3.5275 3.5323 3.5351 3.5415 3.5641 3.5713 3.5729 3.5843 3.6030 3.6033 4.0397 4.0397 4.0889 4.0973 4.1028 4.1102 4.1724 4.1773 4.1815 4.1883 4.2406 4.2407 4.7689 4.7690 4.8545 4.8545 4.9267 4.9317 4.9339 4.9351 5.9098 5.9106 5.9115 5.9137 5.9368 5.9370 7.3890 7.3890 7.3892 7.3892 7.9831 7.9832 8.1891 8.1891 8.1946 8.1949 8.8812 8.8812 11.0288 11.0299 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4208 -7.4208 -6.3189 -6.3189 -6.3158 -6.3158 -6.3158 -6.3158 0.8303 0.8303 0.8303 0.8303 1.4025 1.4025 2.4417 2.4417 2.4893 2.4893 2.4893 2.4893 2.9093 2.9093 3.0196 3.0196 3.0196 3.0196 3.5416 3.5416 3.5416 3.5416 3.5674 3.5674 3.5674 3.5674 3.6008 3.6008 4.0403 4.0403 4.1001 4.1001 4.1001 4.1001 4.1796 4.1796 4.1796 4.1796 4.2404 4.2404 4.7689 4.7689 4.8547 4.8547 4.9323 4.9323 4.9323 4.9323 5.9122 5.9122 5.9122 5.9122 5.9377 5.9377 7.3886 7.3886 7.3886 7.3886 7.9846 7.9846 8.1946 8.1946 8.1946 8.1946 8.8701 8.8701 11.0282 11.0313 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4208 -7.4208 -6.3189 -6.3189 -6.3158 -6.3158 -6.3158 -6.3158 0.8303 0.8303 0.8303 0.8303 1.4025 1.4025 2.4417 2.4417 2.4893 2.4893 2.4893 2.4893 2.9093 2.9093 3.0196 3.0196 3.0196 3.0196 3.5416 3.5416 3.5416 3.5416 3.5674 3.5674 3.5674 3.5674 3.6008 3.6008 4.0403 4.0403 4.1001 4.1001 4.1001 4.1001 4.1796 4.1796 4.1796 4.1796 4.2404 4.2404 4.7689 4.7689 4.8547 4.8547 4.9323 4.9323 4.9323 4.9323 5.9122 5.9122 5.9122 5.9122 5.9377 5.9377 7.3886 7.3886 7.3886 7.3886 7.9846 7.9846 8.1946 8.1946 8.1946 8.1946 8.8701 8.8701 11.0281 11.0284 k = 0.0102 0.0102 0.0102 ( 6619 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4201 -7.4201 -6.3192 -6.3192 -6.3162 -6.3161 -6.3161 -6.3160 0.8306 0.8314 0.8314 0.8322 1.4035 1.4035 2.4414 2.4414 2.4886 2.4887 2.4887 2.4903 2.9087 2.9087 3.0177 3.0190 3.0190 3.0196 3.5285 3.5352 3.5352 3.5363 3.5685 3.5703 3.5703 3.5851 3.6030 3.6030 4.0397 4.0397 4.0885 4.1001 4.1001 4.1105 4.1723 4.1793 4.1793 4.1886 4.2406 4.2406 4.7689 4.7689 4.8545 4.8545 4.9264 4.9330 4.9330 4.9351 5.9101 5.9101 5.9115 5.9138 5.9369 5.9369 7.3891 7.3891 7.3891 7.3891 7.9831 7.9831 8.1890 8.1890 8.1947 8.1950 8.8812 8.8812 11.0296 11.0330 k = 0.0204 0.0204 0.0204 ( 6616 PWs) bands (ev): -58.1611 -58.1611 -32.5756 -32.5756 -31.7493 -31.7493 -31.7493 -31.7493 -7.4181 -7.4181 -6.3201 -6.3201 -6.3173 -6.3169 -6.3169 -6.3169 0.8330 0.8345 0.8345 0.8361 1.4064 1.4064 2.4404 2.4404 2.4870 2.4870 2.4882 2.4916 2.9069 2.9069 3.0141 3.0173 3.0173 3.0178 3.5131 3.5172 3.5219 3.5219 3.5723 3.5723 3.5838 3.6056 3.6103 3.6103 4.0378 4.0378 4.0765 4.1000 4.1000 4.1183 4.1682 4.1785 4.1785 4.1988 4.2414 4.2414 4.7691 4.7691 4.8539 4.8539 4.9174 4.9347 4.9351 4.9351 5.9028 5.9028 5.9117 5.9164 5.9354 5.9354 7.3904 7.3904 7.3904 7.3905 7.9785 7.9785 8.1740 8.1740 8.1954 8.1961 8.9129 8.9129 11.0328 11.0343 k = 0.0306 0.0306 0.0306 ( 6595 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4147 -7.4147 -6.3216 -6.3216 -6.3190 -6.3184 -6.3182 -6.3182 0.8375 0.8396 0.8396 0.8421 1.4112 1.4112 2.4385 2.4385 2.4844 2.4844 2.4881 2.4931 2.9038 2.9038 3.0087 3.0142 3.0145 3.0145 3.4968 3.4977 3.5064 3.5064 3.5695 3.5695 3.6011 3.6219 3.6219 3.6265 4.0348 4.0348 4.0641 4.0998 4.0998 4.1213 4.1695 4.1772 4.1772 4.2098 4.2428 4.2428 4.7693 4.7693 4.8525 4.8525 4.9056 4.9315 4.9392 4.9392 5.8890 5.8890 5.9127 5.9197 5.9347 5.9347 7.3926 7.3926 7.3927 7.3929 7.9696 7.9696 8.1540 8.1540 8.1968 8.1978 8.9616 8.9616 11.0386 11.0393 k = 0.0408 0.0408 0.0408 ( 6583 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4101 -7.4101 -6.3236 -6.3236 -6.3213 -6.3205 -6.3201 -6.3201 0.8439 0.8468 0.8468 0.8502 1.4180 1.4180 2.4351 2.4351 2.4814 2.4814 2.4882 2.4948 2.8995 2.8995 3.0015 3.0087 3.0105 3.0105 3.4762 3.4826 3.4900 3.4900 3.5628 3.5628 3.6191 3.6356 3.6356 3.6475 4.0307 4.0307 4.0517 4.0992 4.0992 4.1192 4.1755 4.1755 4.1764 4.2214 4.2449 4.2449 4.7691 4.7691 4.8500 4.8500 4.8912 4.9256 4.9462 4.9462 5.8687 5.8687 5.9143 5.9236 5.9349 5.9349 7.3957 7.3957 7.3958 7.3961 7.9553 7.9553 8.1338 8.1338 8.1986 8.1998 9.0234 9.0234 11.0465 11.0469 k = 0.0510 0.0510 0.0510 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.4041 -7.4041 -6.3263 -6.3263 -6.3242 -6.3232 -6.3224 -6.3224 0.8524 0.8559 0.8559 0.8603 1.4265 1.4265 2.4296 2.4296 2.4787 2.4787 2.4886 2.4968 2.8940 2.8940 2.9926 3.0012 3.0056 3.0056 3.4558 3.4679 3.4731 3.4731 3.5531 3.5531 3.6375 3.6501 3.6501 3.6683 4.0256 4.0256 4.0391 4.0980 4.0980 4.1138 4.1735 4.1735 4.1871 4.2336 4.2479 4.2479 4.7683 4.7683 4.8465 4.8465 4.8747 4.9175 4.9565 4.9565 5.8423 5.8423 5.9164 5.9279 5.9358 5.9358 7.3997 7.3997 7.3999 7.4003 7.9346 7.9346 8.1172 8.1172 8.2008 8.2023 9.0946 9.0946 11.0561 11.0574 k = 0.0612 0.0612 0.0612 ( 6571 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3968 -7.3968 -6.3296 -6.3296 -6.3277 -6.3265 -6.3251 -6.3251 0.8627 0.8668 0.8668 0.8722 1.4369 1.4369 2.4216 2.4216 2.4768 2.4768 2.4894 2.4989 2.8871 2.8871 2.9820 2.9918 2.9995 2.9995 3.4357 3.4536 3.4558 3.4558 3.5408 3.5408 3.6562 3.6648 3.6648 3.6890 4.0195 4.0195 4.0265 4.0962 4.0962 4.1070 4.1712 4.1712 4.1998 4.2463 4.2518 4.2518 4.7663 4.7663 4.8424 4.8424 4.8565 4.9076 4.9703 4.9703 5.8106 5.8106 5.9186 5.9324 5.9368 5.9368 7.4046 7.4046 7.4048 7.4054 7.9084 7.9084 8.1059 8.1059 8.2033 8.2050 9.1724 9.1724 11.0667 11.0702 k = 0.0714 0.0714 0.0714 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3882 -7.3882 -6.3335 -6.3335 -6.3317 -6.3303 -6.3283 -6.3283 0.8748 0.8796 0.8796 0.8861 1.4489 1.4489 2.4106 2.4106 2.4760 2.4760 2.4903 2.5013 2.8790 2.8790 2.9697 2.9805 2.9925 2.9925 3.4162 3.4383 3.4383 3.4398 3.5260 3.5260 3.6753 3.6796 3.6796 3.7094 4.0127 4.0127 4.0140 4.0937 4.0937 4.0995 4.1689 4.1689 4.2136 4.2569 4.2569 4.2595 4.7629 4.7629 4.8373 4.8384 4.8384 4.8964 4.9875 4.9875 5.7740 5.7740 5.9209 5.9368 5.9379 5.9379 7.4103 7.4103 7.4107 7.4115 7.8784 7.8784 8.0992 8.0992 8.2059 8.2078 9.2545 9.2545 11.0795 11.0848 k = 0.0816 0.0816 0.0816 ( 6577 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3784 -7.3784 -6.3380 -6.3380 -6.3363 -6.3348 -6.3319 -6.3319 0.8886 0.8940 0.8940 0.9016 1.4625 1.4625 2.3970 2.3970 2.4762 2.4762 2.4916 2.5037 2.8696 2.8696 2.9558 2.9671 2.9846 2.9846 3.3974 3.4205 3.4205 3.4265 3.5088 3.5088 3.6943 3.6943 3.6944 3.7296 4.0014 4.0052 4.0052 4.0904 4.0904 4.0918 4.1664 4.1664 4.2280 4.2632 4.2632 4.2732 4.7580 4.7580 4.8174 4.8349 4.8349 4.8843 5.0079 5.0079 5.7332 5.7332 5.9229 5.9387 5.9387 5.9409 7.4170 7.4170 7.4174 7.4185 7.8469 7.8469 8.0960 8.0960 8.2087 8.2106 9.3391 9.3391 11.0935 11.1008 k = 0.0918 0.0918 0.0918 ( 6580 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3673 -7.3673 -6.3429 -6.3429 -6.3414 -6.3397 -6.3359 -6.3359 0.9039 0.9099 0.9099 0.9188 1.4776 1.4776 2.3807 2.3807 2.4771 2.4771 2.4931 2.5063 2.8588 2.8588 2.9404 2.9518 2.9759 2.9759 3.3793 3.4024 3.4024 3.4135 3.4895 3.4895 3.7087 3.7087 3.7137 3.7494 3.9890 3.9972 3.9972 4.0840 4.0864 4.0864 4.1640 4.1640 4.2430 4.2707 4.2707 4.2872 4.7518 4.7518 4.7975 4.8325 4.8325 4.8719 5.0314 5.0314 5.6888 5.6888 5.9245 5.9391 5.9391 5.9445 7.4245 7.4245 7.4251 7.4265 7.8157 7.8157 8.0952 8.0952 8.2114 8.2134 9.4246 9.4246 11.1091 11.1177 k = 0.1020 0.1020 0.1020 ( 6574 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3551 -7.3551 -6.3484 -6.3484 -6.3471 -6.3452 -6.3403 -6.3403 0.9206 0.9273 0.9273 0.9375 1.4941 1.4941 2.3621 2.3621 2.4788 2.4788 2.4948 2.5089 2.8468 2.8468 2.9236 2.9348 2.9665 2.9665 3.3620 3.3840 3.3840 3.4010 3.4684 3.4684 3.7229 3.7229 3.7329 3.7689 3.9768 3.9888 3.9888 4.0763 4.0819 4.0819 4.1615 4.1615 4.2583 4.2796 4.2796 4.3018 4.7447 4.7447 4.7781 4.8309 4.8309 4.8595 5.0576 5.0576 5.6413 5.6413 5.9256 5.9389 5.9389 5.9475 7.4328 7.4328 7.4336 7.4354 7.7859 7.7859 8.0959 8.0959 8.2139 8.2159 9.5097 9.5097 11.1261 11.1354 k = 0.1122 0.1122 0.1122 ( 6574 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3417 -7.3417 -6.3544 -6.3544 -6.3531 -6.3511 -6.3450 -6.3450 0.9386 0.9458 0.9458 0.9575 1.5119 1.5119 2.3412 2.3412 2.4810 2.4810 2.4968 2.5116 2.8335 2.8335 2.9056 2.9160 2.9565 2.9565 3.3456 3.3649 3.3649 3.3888 3.4459 3.4459 3.7366 3.7366 3.7521 3.7878 3.9649 3.9801 3.9801 4.0688 4.0771 4.0771 4.1590 4.1590 4.2740 4.2896 4.2896 4.3167 4.7371 4.7371 4.7597 4.8301 4.8301 4.8476 5.0864 5.0864 5.5912 5.5912 5.9260 5.9381 5.9381 5.9497 7.4421 7.4421 7.4430 7.4453 7.7584 7.7584 8.0976 8.0976 8.2163 8.2182 9.5930 9.5930 11.1442 11.1538 k = 0.1224 0.1224 0.1224 ( 6580 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7493 -31.7493 -31.7493 -31.7493 -7.3271 -7.3271 -6.3608 -6.3608 -6.3597 -6.3575 -6.3501 -6.3501 0.9576 0.9655 0.9655 0.9786 1.5307 1.5307 2.3182 2.3182 2.4835 2.4835 2.4990 2.5141 2.8190 2.8190 2.8865 2.8958 2.9459 2.9459 3.3301 3.3447 3.3447 3.3770 3.4226 3.4226 3.7498 3.7498 3.7710 3.8062 3.9533 3.9712 3.9712 4.0615 4.0722 4.0722 4.1564 4.1564 4.2898 4.3008 4.3008 4.3319 4.7298 4.7298 4.7426 4.8297 4.8297 4.8365 5.1175 5.1175 5.5392 5.5392 5.9257 5.9367 5.9367 5.9511 7.4521 7.4521 7.4533 7.4562 7.7337 7.7337 8.0999 8.0999 8.2184 8.2202 9.6734 9.6734 11.1636 11.1733 k = 0.1327 0.1327 0.1327 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7494 -31.7494 -7.3115 -7.3115 -6.3676 -6.3676 -6.3666 -6.3642 -6.3555 -6.3555 0.9775 0.9859 0.9859 1.0007 1.5503 1.5503 2.2934 2.2934 2.4863 2.4863 2.5014 2.5165 2.8035 2.8035 2.8666 2.8745 2.9350 2.9350 3.3155 3.3229 3.3229 3.3654 3.3995 3.3995 3.7623 3.7623 3.7894 3.8238 3.9425 3.9622 3.9622 4.0547 4.0675 4.0675 4.1540 4.1540 4.3058 4.3131 4.3131 4.3475 4.7231 4.7231 4.7273 4.8265 4.8295 4.8295 5.1508 5.1508 5.4857 5.4857 5.9247 5.9346 5.9346 5.9516 7.4629 7.4629 7.4644 7.4679 7.7120 7.7120 8.1025 8.1025 8.2203 8.2219 9.7499 9.7499 11.1840 11.1936 k = 0.1429 0.1429 0.1429 ( 6559 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7494 -31.7494 -7.2948 -7.2948 -6.3748 -6.3748 -6.3738 -6.3714 -6.3612 -6.3612 0.9981 1.0071 1.0071 1.0236 1.5706 1.5706 2.2667 2.2667 2.4894 2.4894 2.5039 2.5186 2.7871 2.7871 2.8461 2.8524 2.9239 2.9239 3.2988 3.2988 3.3017 3.3541 3.3774 3.3774 3.7741 3.7741 3.8071 3.8404 3.9325 3.9533 3.9533 4.0484 4.0630 4.0630 4.1515 4.1515 4.3219 4.3265 4.3265 4.3635 4.7140 4.7173 4.7173 4.8178 4.8291 4.8291 5.1861 5.1861 5.4311 5.4311 5.9229 5.9318 5.9318 5.9513 7.4745 7.4745 7.4763 7.4805 7.6937 7.6937 8.1054 8.1054 8.2220 8.2233 9.8216 9.8216 11.2055 11.2149 k = 0.1531 0.1531 0.1531 ( 6547 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7494 -31.7494 -7.2771 -7.2771 -6.3823 -6.3823 -6.3814 -6.3788 -6.3671 -6.3671 1.0190 1.0286 1.0286 1.0469 1.5912 1.5912 2.2384 2.2384 2.4925 2.4925 2.5065 2.5203 2.7701 2.7701 2.8253 2.8300 2.9125 2.9125 3.2720 3.2720 3.2887 3.3430 3.3571 3.3571 3.7851 3.7851 3.8235 3.8560 3.9239 3.9445 3.9445 4.0430 4.0589 4.0589 4.1491 4.1491 4.3380 4.3409 4.3409 4.3797 4.7031 4.7128 4.7128 4.8106 4.8285 4.8285 5.2232 5.2232 5.3762 5.3762 5.9205 5.9284 5.9284 5.9501 7.4867 7.4867 7.4889 7.4940 7.6789 7.6789 8.1085 8.1085 8.2234 8.2244 9.8878 9.8878 11.2281 11.2369 k = 0.1633 0.1633 0.1633 ( 6562 PWs) bands (ev): -58.1611 -58.1611 -32.5757 -32.5757 -31.7494 -31.7494 -31.7494 -31.7494 -7.2584 -7.2584 -6.3901 -6.3901 -6.3893 -6.3866 -6.3733 -6.3733 1.0401 1.0502 1.0502 1.0705 1.6118 1.6118 2.2086 2.2086 2.4956 2.4956 2.5090 2.5212 2.7526 2.7526 2.8045 2.8077 2.9010 2.9010 3.2426 3.2426 3.2765 3.3320 3.3388 3.3388 3.7950 3.7950 3.8378 3.8702 3.9175 3.9360 3.9360 4.0385 4.0553 4.0553 4.1467 4.1467 4.3540 4.3560 4.3560 4.3961 4.6946 4.7097 4.7097 4.8050 4.8274 4.8274 5.2618 5.2618 5.3214 5.3214 5.9174 5.9245 5.9245 5.9482 7.4996 7.4996 7.5023 7.5083 7.6675 7.6675 8.1118 8.1118 8.2247 8.2253 9.9480 9.9480 11.2514 11.2596 k = 0.1735 0.1735 0.1735 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7494 -31.7494 -31.7494 -31.7494 -7.2389 -7.2389 -6.3982 -6.3982 -6.3974 -6.3946 -6.3797 -6.3797 1.0611 1.0718 1.0718 1.0940 1.6321 1.6321 2.1777 2.1777 2.4986 2.4986 2.5115 2.5214 2.7353 2.7353 2.7840 2.7861 2.8895 2.8895 3.2112 3.2112 3.2649 3.3211 3.3224 3.3224 3.8037 3.8037 3.8487 3.8829 3.9147 3.9280 3.9280 4.0353 4.0523 4.0523 4.1445 4.1445 4.3697 4.3720 4.3720 4.4127 4.6888 4.7080 4.7080 4.8012 4.8255 4.8255 5.2662 5.2662 5.3027 5.3027 5.9139 5.9202 5.9202 5.9457 7.5131 7.5131 7.5162 7.5233 7.6596 7.6596 8.1152 8.1152 8.2260 8.2261 10.0019 10.0019 11.2754 11.2828 k = 0.1837 0.1837 0.1837 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7494 -31.7494 -31.7494 -31.7494 -7.2185 -7.2185 -6.4065 -6.4065 -6.4057 -6.4029 -6.3863 -6.3863 1.0818 1.0929 1.0929 1.1173 1.6516 1.6516 2.1458 2.1458 2.5015 2.5015 2.5139 2.5205 2.7183 2.7183 2.7643 2.7658 2.8780 2.8780 3.1785 3.1785 3.2539 3.3075 3.3075 3.3103 3.8112 3.8112 3.8544 3.8939 3.9170 3.9208 3.9208 4.0335 4.0498 4.0498 4.1423 4.1423 4.3852 4.3886 4.3886 4.4295 4.6857 4.7077 4.7077 4.7991 4.8226 4.8226 5.2132 5.2132 5.3441 5.3441 5.9101 5.9156 5.9156 5.9428 7.5271 7.5271 7.5308 7.5389 7.6552 7.6552 8.1189 8.1189 8.2269 8.2272 10.0495 10.0495 11.2999 11.3063 k = 0.1939 0.1939 0.1939 ( 6571 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7494 -31.7494 -31.7494 -31.7494 -7.1974 -7.1974 -6.4150 -6.4150 -6.4142 -6.4113 -6.3931 -6.3931 1.1017 1.1133 1.1133 1.1398 1.6697 1.6697 2.1134 2.1134 2.5041 2.5041 2.5161 2.5184 2.7023 2.7023 2.7457 2.7476 2.8666 2.8666 3.1452 3.1452 3.2434 3.2937 3.2937 3.2996 3.8172 3.8172 3.8552 3.9031 3.9145 3.9145 3.9245 4.0332 4.0479 4.0479 4.1403 4.1403 4.4003 4.4057 4.4057 4.4462 4.6853 4.7089 4.7089 4.7989 4.8184 4.8184 5.1616 5.1616 5.3869 5.3869 5.9061 5.9111 5.9111 5.9396 7.5415 7.5415 7.5458 7.5551 7.6543 7.6543 8.1229 8.1229 8.2277 8.2285 10.0910 10.0910 11.3249 11.3284 k = 0.2041 0.2041 0.2041 ( 6577 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7494 -31.7494 -31.7494 -31.7494 -7.1755 -7.1755 -6.4236 -6.4236 -6.4229 -6.4199 -6.3999 -6.3999 1.1208 1.1327 1.1327 1.1614 1.6857 1.6857 2.0810 2.0810 2.5062 2.5062 2.5148 2.5180 2.6876 2.6876 2.7286 2.7318 2.8553 2.8553 3.1121 3.1121 3.2334 3.2810 3.2810 3.2889 3.8217 3.8217 3.8529 3.9094 3.9094 3.9104 3.9351 4.0344 4.0464 4.0464 4.1383 4.1383 4.4147 4.4231 4.4231 4.4627 4.6877 4.7114 4.7114 4.8006 4.8125 4.8125 5.1123 5.1123 5.4309 5.4309 5.9023 5.9066 5.9066 5.9364 7.5563 7.5563 7.5612 7.5718 7.6567 7.6567 8.1272 8.1272 8.2288 8.2301 10.1266 10.1266 11.3493 11.3507 k = 0.2143 0.2143 0.2143 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7495 -31.7495 -7.1530 -7.1530 -6.4323 -6.4323 -6.4316 -6.4286 -6.4069 -6.4069 1.1386 1.1508 1.1508 1.1818 1.6988 1.6988 2.0492 2.0492 2.5079 2.5079 2.5100 2.5196 2.6747 2.6747 2.7135 2.7188 2.8442 2.8442 3.0797 3.0797 3.2238 3.2690 3.2690 3.2782 3.8245 3.8245 3.8494 3.9057 3.9057 3.9163 3.9470 4.0371 4.0454 4.0454 4.1365 4.1365 4.4286 4.4406 4.4406 4.4790 4.6927 4.7150 4.7150 4.8041 4.8046 4.8046 5.0663 5.0663 5.4758 5.4758 5.8990 5.9027 5.9027 5.9334 7.5713 7.5713 7.5769 7.5888 7.6623 7.6623 8.1320 8.1320 8.2301 8.2320 10.1568 10.1568 11.3720 11.3726 k = 0.2245 0.2245 0.2245 ( 6562 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7495 -31.7495 -7.1300 -7.1300 -6.4410 -6.4410 -6.4404 -6.4373 -6.4139 -6.4139 1.1549 1.1673 1.1673 1.2005 1.7078 1.7078 2.0188 2.0188 2.5040 2.5090 2.5090 2.5208 2.6640 2.6640 2.7005 2.7089 2.8333 2.8333 3.0487 3.0487 3.2145 3.2577 3.2577 3.2676 3.8259 3.8259 3.8458 3.9035 3.9035 3.9209 3.9592 4.0409 4.0446 4.0446 4.1349 4.1349 4.4416 4.4579 4.4579 4.4948 4.7001 4.7191 4.7191 4.7944 4.7944 4.8093 5.0244 5.0244 5.5215 5.5215 5.8962 5.8993 5.8993 5.9309 7.5866 7.5866 7.5928 7.6061 7.6710 7.6710 8.1374 8.1374 8.2319 8.2344 10.1820 10.1820 11.3918 11.3954 k = 0.2347 0.2347 0.2347 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7495 -31.7495 -7.1065 -7.1065 -6.4498 -6.4498 -6.4491 -6.4461 -6.4210 -6.4210 1.1695 1.1820 1.1820 1.2173 1.7115 1.7115 1.9908 1.9908 2.4972 2.5096 2.5096 2.5215 2.6558 2.6558 2.6901 2.7019 2.8226 2.8226 3.0197 3.0197 3.2056 3.2469 3.2469 3.2571 3.8258 3.8258 3.8425 3.9026 3.9026 3.9247 3.9711 4.0441 4.0441 4.0453 4.1333 4.1333 4.4538 4.4748 4.4748 4.5099 4.7097 4.7221 4.7221 4.7826 4.7826 4.8162 4.9877 4.9877 5.5679 5.5679 5.8945 5.8970 5.8970 5.9293 7.6020 7.6020 7.6088 7.6235 7.6827 7.6827 8.1434 8.1434 8.2342 8.2373 10.2027 10.2027 11.4094 11.4158 k = 0.2449 0.2449 0.2449 ( 6565 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7495 -31.7495 -31.7495 -31.7495 -7.0826 -7.0826 -6.4586 -6.4586 -6.4579 -6.4549 -6.4281 -6.4281 1.1821 1.1945 1.1945 1.2319 1.7086 1.7086 1.9665 1.9665 2.4904 2.5098 2.5098 2.5219 2.6502 2.6502 2.6822 2.6975 2.8124 2.8124 2.9931 2.9931 3.1970 3.2366 3.2366 3.2467 3.8247 3.8247 3.8399 3.9029 3.9029 3.9280 3.9826 4.0438 4.0438 4.0502 4.1319 4.1319 4.4652 4.4910 4.4910 4.5242 4.7202 4.7202 4.7211 4.7724 4.7724 4.8244 4.9568 4.9568 5.6148 5.6148 5.8940 5.8959 5.8959 5.9287 7.6175 7.6175 7.6247 7.6409 7.6972 7.6972 8.1502 8.1502 8.2373 8.2409 10.2194 10.2194 11.4238 11.4330 k = 0.2551 0.2551 0.2551 ( 6553 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7495 -31.7495 -31.7495 -31.7495 -7.0583 -7.0583 -6.4673 -6.4673 -6.4666 -6.4636 -6.4353 -6.4353 1.1927 1.2049 1.2049 1.2440 1.6982 1.6982 1.9463 1.9463 2.4842 2.5100 2.5100 2.5222 2.6469 2.6469 2.6769 2.6953 2.8025 2.8025 2.9694 2.9694 3.1887 3.2267 3.2267 3.2363 3.8230 3.8230 3.8381 3.9040 3.9040 3.9312 3.9934 4.0436 4.0436 4.0552 4.1306 4.1306 4.4758 4.5063 4.5063 4.5376 4.7076 4.7076 4.7338 4.7696 4.7696 4.8339 4.9318 4.9318 5.6621 5.6621 5.8953 5.8964 5.8964 5.9297 7.6330 7.6330 7.6404 7.6581 7.7143 7.7143 8.1577 8.1577 8.2410 8.2452 10.2327 10.2327 11.4336 11.4453 k = 0.2653 0.2653 0.2653 ( 6547 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7495 -31.7495 -31.7495 -31.7495 -7.0339 -7.0339 -6.4760 -6.4760 -6.4752 -6.4722 -6.4424 -6.4424 1.2010 1.2128 1.2128 1.2535 1.6802 1.6802 1.9303 1.9303 2.4792 2.5106 2.5106 2.5227 2.6459 2.6459 2.6739 2.6949 2.7931 2.7931 2.9491 2.9491 3.1806 3.2172 3.2172 3.2261 3.8209 3.8209 3.8373 3.9057 3.9057 3.9346 4.0036 4.0434 4.0434 4.0600 4.1294 4.1294 4.4856 4.5204 4.5204 4.5499 4.6851 4.6851 4.7473 4.7739 4.7739 4.8441 4.9121 4.9121 5.7095 5.7095 5.8986 5.8989 5.8989 5.9327 7.6482 7.6482 7.6559 7.6750 7.7340 7.7340 8.1661 8.1661 8.2457 8.2503 10.2428 10.2428 11.4377 11.4514 k = 0.2755 0.2755 0.2755 ( 6547 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7495 -31.7495 -31.7495 -31.7495 -7.0093 -7.0093 -6.4845 -6.4845 -6.4837 -6.4808 -6.4494 -6.4494 1.2069 1.2183 1.2183 1.2602 1.6557 1.6557 1.9173 1.9173 2.4759 2.5119 2.5119 2.5237 2.6467 2.6467 2.6731 2.6958 2.7842 2.7842 2.9325 2.9325 3.1729 3.2080 3.2080 3.2160 3.8188 3.8188 3.8374 3.9078 3.9078 3.9382 4.0130 4.0431 4.0431 4.0646 4.1281 4.1281 4.4947 4.5330 4.5330 4.5612 4.6578 4.6578 4.7612 4.7815 4.7815 4.8548 4.8965 4.8965 5.7570 5.7570 5.9038 5.9038 5.9043 5.9379 7.6632 7.6632 7.6711 7.6915 7.7562 7.7562 8.1754 8.1754 8.2513 8.2562 10.2502 10.2502 11.4345 11.4506 k = 0.2857 0.2857 0.2857 ( 6535 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7496 -31.7496 -6.9846 -6.9846 -6.4929 -6.4929 -6.4921 -6.4891 -6.4564 -6.4564 1.2106 1.2213 1.2213 1.2641 1.6261 1.6261 1.9059 1.9059 2.4747 2.5143 2.5143 2.5255 2.6491 2.6491 2.6740 2.6978 2.7759 2.7759 2.9198 2.9198 3.1655 3.1991 3.1991 3.2062 3.8167 3.8167 3.8385 3.9103 3.9103 3.9423 4.0218 4.0428 4.0428 4.0689 4.1269 4.1269 4.5032 4.5437 4.5437 4.5715 4.6294 4.6294 4.7748 4.7897 4.7897 4.8654 4.8843 4.8843 5.8042 5.8042 5.9115 5.9115 5.9128 5.9457 7.6778 7.6778 7.6859 7.7075 7.7807 7.7807 8.1855 8.1855 8.2579 8.2630 10.2553 10.2553 11.4225 11.4411 k = 0.2959 0.2959 0.2959 ( 6559 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7496 -31.7496 -6.9600 -6.9600 -6.5010 -6.5010 -6.5002 -6.4974 -6.4634 -6.4634 1.2121 1.2219 1.2219 1.2654 1.5931 1.5931 1.8946 1.8946 2.4756 2.5180 2.5180 2.5282 2.6526 2.6526 2.6764 2.7004 2.7680 2.7680 2.9111 2.9111 3.1583 3.1905 3.1905 3.1965 3.8147 3.8147 3.8405 3.9129 3.9129 3.9467 4.0298 4.0423 4.0423 4.0726 4.1255 4.1255 4.5112 4.5503 4.5503 4.5807 4.6035 4.6035 4.7877 4.7970 4.7970 4.8749 4.8749 4.8754 5.8508 5.8508 5.9223 5.9223 5.9243 5.9565 7.6919 7.6919 7.7002 7.7229 7.8073 7.8073 8.1963 8.1963 8.2654 8.2705 10.2584 10.2584 11.4004 11.4215 k = 0.3061 0.3061 0.3061 ( 6545 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7496 -31.7496 -6.9355 -6.9355 -6.5090 -6.5090 -6.5082 -6.5054 -6.4702 -6.4702 1.2115 1.2203 1.2203 1.2640 1.5578 1.5578 1.8826 1.8826 2.4789 2.5232 2.5232 2.5321 2.6571 2.6571 2.6800 2.7036 2.7606 2.7606 2.9066 2.9066 3.1515 3.1822 3.1822 3.1871 3.8130 3.8130 3.8435 3.9156 3.9156 3.9518 4.0373 4.0418 4.0418 4.0760 4.1240 4.1240 4.5188 4.5461 4.5461 4.5884 4.5884 4.5890 4.7995 4.8022 4.8022 4.8682 4.8682 4.8844 5.8961 5.8961 5.9373 5.9373 5.9392 5.9706 7.7056 7.7056 7.7140 7.7377 7.8360 7.8360 8.2080 8.2080 8.2739 8.2789 10.2598 10.2598 11.3670 11.3906 k = 0.3163 0.3163 0.3163 ( 6551 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7496 -31.7496 -6.9113 -6.9113 -6.5168 -6.5168 -6.5159 -6.5131 -6.4769 -6.4769 1.2089 1.2166 1.2166 1.2602 1.5212 1.5212 1.8692 1.8692 2.4844 2.5298 2.5298 2.5371 2.6622 2.6622 2.6844 2.7070 2.7536 2.7536 2.9061 2.9061 3.1450 3.1743 3.1743 3.1779 3.8115 3.8115 3.8475 3.9184 3.9184 3.9573 4.0410 4.0410 4.0442 4.0789 4.1224 4.1224 4.5261 4.5272 4.5272 4.5886 4.5886 4.5964 4.8039 4.8039 4.8096 4.8645 4.8645 4.8919 5.9363 5.9363 5.9576 5.9601 5.9601 5.9882 7.7188 7.7188 7.7274 7.7517 7.8664 7.8664 8.2202 8.2202 8.2833 8.2879 10.2597 10.2597 11.3220 11.3477 k = 0.3265 0.3265 0.3265 ( 6557 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7496 -31.7496 -6.8874 -6.8874 -6.5242 -6.5242 -6.5233 -6.5206 -6.4836 -6.4836 1.2046 1.2110 1.2110 1.2543 1.4841 1.4841 1.8543 1.8543 2.4920 2.5377 2.5377 2.5433 2.6677 2.6677 2.6895 2.7106 2.7469 2.7469 2.9093 2.9093 3.1388 3.1666 3.1666 3.1691 3.8102 3.8102 3.8524 3.9213 3.9213 3.9632 4.0400 4.0400 4.0505 4.0814 4.1204 4.1204 4.5041 4.5041 4.5331 4.5942 4.5942 4.6031 4.8019 4.8019 4.8179 4.8635 4.8635 4.8976 5.9651 5.9651 5.9795 5.9968 5.9968 6.0092 7.7316 7.7316 7.7403 7.7651 7.8984 7.8984 8.2328 8.2328 8.2933 8.2975 10.2584 10.2584 11.2658 11.2932 k = 0.3367 0.3367 0.3367 ( 6557 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7496 -31.7496 -31.7496 -31.7496 -6.8639 -6.8639 -6.5314 -6.5314 -6.5304 -6.5278 -6.4901 -6.4901 1.1989 1.2040 1.2040 1.2465 1.4471 1.4471 1.8380 1.8380 2.5014 2.5468 2.5468 2.5504 2.6735 2.6735 2.6950 2.7142 2.7405 2.7405 2.9160 2.9160 3.1331 3.1593 3.1593 3.1607 3.8091 3.8091 3.8582 3.9242 3.9242 3.9696 4.0388 4.0388 4.0563 4.0834 4.1182 4.1182 4.4817 4.4817 4.5400 4.6009 4.6009 4.6091 4.7968 4.7968 4.8242 4.8639 4.8639 4.9013 5.9906 5.9906 6.0049 6.0337 6.0392 6.0392 7.7441 7.7441 7.7528 7.7779 7.9317 7.9317 8.2457 8.2457 8.3039 8.3074 10.2561 10.2561 11.1994 11.2281 k = 0.3469 0.3469 0.3469 ( 6551 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7496 -31.7496 -31.7496 -31.7496 -6.8410 -6.8410 -6.5382 -6.5382 -6.5372 -6.5347 -6.4966 -6.4966 1.1920 1.1956 1.1956 1.2373 1.4106 1.4106 1.8205 1.8205 2.5123 2.5569 2.5569 2.5584 2.6794 2.6794 2.7007 2.7176 2.7344 2.7344 2.9255 2.9255 3.1277 3.1524 3.1524 3.1527 3.8081 3.8081 3.8648 3.9271 3.9271 3.9763 4.0374 4.0374 4.0617 4.0849 4.1158 4.1158 4.4613 4.4613 4.5468 4.6077 4.6077 4.6146 4.7896 4.7896 4.8284 4.8645 4.8645 4.9027 6.0178 6.0178 6.0337 6.0616 6.0819 6.0819 7.7564 7.7564 7.7650 7.7901 7.9659 7.9659 8.2587 8.2587 8.3149 8.3175 10.2530 10.2530 11.1244 11.1538 k = 0.3571 0.3571 0.3571 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7496 -31.7496 -31.7496 -31.7496 -6.8186 -6.8186 -6.5448 -6.5448 -6.5436 -6.5413 -6.5029 -6.5029 1.1841 1.1862 1.1862 1.2269 1.3750 1.3750 1.8021 1.8021 2.5245 2.5671 2.5678 2.5678 2.6852 2.6852 2.7065 2.7208 2.7288 2.7288 2.9374 2.9374 3.1228 3.1451 3.1458 3.1458 3.8073 3.8073 3.8723 3.9300 3.9300 3.9832 4.0357 4.0357 4.0665 4.0861 4.1131 4.1131 4.4433 4.4433 4.5536 4.6144 4.6144 4.6197 4.7812 4.7812 4.8305 4.8645 4.8645 4.9019 6.0474 6.0474 6.0654 6.0924 6.1237 6.1237 7.7686 7.7686 7.7770 7.8019 8.0009 8.0009 8.2714 8.2714 8.3259 8.3275 10.2493 10.2493 11.0427 11.0725 k = 0.3673 0.3673 0.3673 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7970 -6.7970 -6.5509 -6.5509 -6.5497 -6.5475 -6.5091 -6.5091 1.1757 1.1762 1.1762 1.2157 1.3406 1.3406 1.7831 1.7831 2.5377 2.5764 2.5792 2.5792 2.6906 2.6906 2.7122 2.7237 2.7237 2.7237 2.9511 2.9511 3.1182 3.1380 3.1396 3.1396 3.8063 3.8063 3.8805 3.9328 3.9328 3.9902 4.0336 4.0336 4.0709 4.0868 4.1101 4.1101 4.4278 4.4278 4.5604 4.6208 4.6208 4.6243 4.7721 4.7721 4.8306 4.8631 4.8631 4.8988 6.0792 6.0792 6.0996 6.1257 6.1640 6.1640 7.7809 7.7809 7.7889 7.8133 8.0362 8.0362 8.2837 8.2837 8.3367 8.3372 10.2451 10.2451 10.9565 10.9863 k = 0.3776 0.3776 0.3776 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7760 -6.7760 -6.5567 -6.5567 -6.5554 -6.5534 -6.5153 -6.5153 1.1657 1.1657 1.1668 1.2039 1.3077 1.3077 1.7640 1.7640 2.5515 2.5859 2.5909 2.5909 2.6952 2.6952 2.7175 2.7195 2.7195 2.7261 2.9661 2.9661 3.1141 3.1314 3.1338 3.1338 3.8054 3.8054 3.8892 3.9356 3.9356 3.9971 4.0313 4.0313 4.0749 4.0871 4.1071 4.1071 4.4149 4.4149 4.5674 4.6270 4.6270 4.6286 4.7626 4.7626 4.8289 4.8604 4.8604 4.8937 6.1128 6.1128 6.1359 6.1610 6.2028 6.2028 7.7933 7.7933 7.8008 7.8245 8.0713 8.0713 8.2953 8.2953 8.3464 8.3471 10.2405 10.2405 10.8679 10.8973 k = 0.3878 0.3878 0.3878 ( 6563 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7560 -6.7560 -6.5621 -6.5621 -6.5607 -6.5588 -6.5214 -6.5214 1.1551 1.1551 1.1578 1.1920 1.2766 1.2766 1.7452 1.7452 2.5656 2.5957 2.6027 2.6027 2.6984 2.6984 2.7168 2.7168 2.7224 2.7281 2.9818 2.9818 3.1104 3.1254 3.1285 3.1285 3.8045 3.8045 3.8987 3.9382 3.9382 4.0039 4.0287 4.0287 4.0784 4.0872 4.1042 4.1042 4.4046 4.4046 4.5745 4.6327 4.6331 4.6331 4.7531 4.7531 4.8255 4.8561 4.8561 4.8866 6.1475 6.1475 6.1736 6.1976 6.2397 6.2397 7.8059 7.8059 7.8127 7.8355 8.1060 8.1060 8.3061 8.3061 8.3548 8.3566 10.2357 10.2357 10.7788 10.8076 k = 0.3980 0.3980 0.3980 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7368 -6.7368 -6.5670 -6.5670 -6.5656 -6.5638 -6.5275 -6.5275 1.1445 1.1445 1.1490 1.1801 1.2475 1.2475 1.7269 1.7269 2.5799 2.6055 2.6143 2.6143 2.6991 2.6991 2.7166 2.7166 2.7268 2.7295 2.9979 2.9979 3.1072 3.1199 3.1236 3.1236 3.8034 3.8034 3.9086 3.9407 3.9407 4.0103 4.0259 4.0259 4.0816 4.0869 4.1015 4.1015 4.3965 4.3965 4.5820 4.6366 4.6389 4.6389 4.7438 4.7438 4.8208 4.8505 4.8505 4.8779 6.1826 6.1826 6.2120 6.2347 6.2745 6.2745 7.8188 7.8188 7.8249 7.8465 8.1396 8.1396 8.3159 8.3159 8.3622 8.3652 10.2309 10.2309 10.6910 10.7192 k = 0.4082 0.4082 0.4082 ( 6566 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7186 -6.7186 -6.5716 -6.5716 -6.5701 -6.5685 -6.5335 -6.5335 1.1343 1.1343 1.1405 1.1685 1.2206 1.2206 1.7096 1.7096 2.5940 2.6152 2.6256 2.6256 2.6977 2.6977 2.7183 2.7183 2.7304 2.7304 3.0137 3.0137 3.1043 3.1150 3.1192 3.1192 3.8022 3.8022 3.9188 3.9430 3.9430 4.0161 4.0230 4.0230 4.0843 4.0864 4.0990 4.0990 4.3905 4.3905 4.5897 4.6404 4.6445 4.6445 4.7350 4.7350 4.8151 4.8437 4.8437 4.8678 6.2173 6.2173 6.2504 6.2717 6.3072 6.3072 7.8321 7.8321 7.8372 7.8574 8.1716 8.1716 8.3245 8.3245 8.3684 8.3724 10.2261 10.2261 10.6064 10.6336 k = 0.4184 0.4184 0.4184 ( 6572 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7014 -6.7014 -6.5757 -6.5757 -6.5741 -6.5726 -6.5396 -6.5396 1.1244 1.1244 1.1326 1.1574 1.1962 1.1962 1.6933 1.6933 2.6078 2.6247 2.6364 2.6364 2.6954 2.6954 2.7208 2.7208 2.7307 2.7331 3.0291 3.0291 3.1019 3.1107 3.1152 3.1152 3.8008 3.8008 3.9293 3.9450 3.9450 4.0201 4.0201 4.0210 4.0859 4.0867 4.0968 4.0968 4.3863 4.3863 4.5977 4.6441 4.6497 4.6497 4.7270 4.7270 4.8086 4.8359 4.8359 4.8567 6.2509 6.2509 6.2879 6.3077 6.3374 6.3374 7.8457 7.8457 7.8498 7.8683 8.2012 8.2012 8.3322 8.3322 8.3733 8.3781 10.2214 10.2214 10.5263 10.5525 k = 0.4286 0.4286 0.4286 ( 6575 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6852 -6.6852 -6.5793 -6.5793 -6.5776 -6.5763 -6.5458 -6.5458 1.1151 1.1151 1.1253 1.1470 1.1744 1.1744 1.6785 1.6785 2.6211 2.6338 2.6465 2.6465 2.6931 2.6931 2.7232 2.7232 2.7305 2.7350 3.0435 3.0435 3.0999 3.1070 3.1118 3.1118 3.7994 3.7994 3.9400 3.9467 3.9467 4.0173 4.0173 4.0249 4.0853 4.0886 4.0951 4.0951 4.3835 4.3835 4.6060 4.6476 4.6542 4.6542 4.7204 4.7204 4.8018 4.8273 4.8273 4.8448 6.2825 6.2825 6.3237 6.3417 6.3650 6.3650 7.8594 7.8594 7.8623 7.8790 8.2278 8.2278 8.3391 8.3391 8.3769 8.3823 10.2169 10.2169 10.4524 10.4773 k = 0.4388 0.4388 0.4388 ( 6590 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6701 -6.6701 -6.5825 -6.5825 -6.5807 -6.5796 -6.5521 -6.5521 1.1066 1.1066 1.1190 1.1375 1.1554 1.1554 1.6653 1.6653 2.6335 2.6425 2.6555 2.6555 2.6912 2.6912 2.7251 2.7251 2.7298 2.7359 3.0566 3.0566 3.0982 3.1038 3.1088 3.1088 3.7979 3.7979 3.9481 3.9481 3.9507 4.0148 4.0148 4.0273 4.0851 4.0901 4.0936 4.0936 4.3819 4.3819 4.6144 4.6510 4.6576 4.6576 4.7157 4.7157 4.7949 4.8182 4.8182 4.8325 6.3113 6.3113 6.3571 6.3731 6.3899 6.3899 7.8729 7.8729 7.8748 7.8894 8.2502 8.2502 8.3457 8.3457 8.3792 8.3849 10.2128 10.2128 10.3857 10.4093 k = 0.4490 0.4490 0.4490 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6561 -6.6561 -6.5852 -6.5852 -6.5833 -6.5824 -6.5586 -6.5586 1.0989 1.0989 1.1136 1.1290 1.1395 1.1395 1.6538 1.6538 2.6449 2.6506 2.6632 2.6632 2.6901 2.6901 2.7265 2.7265 2.7287 2.7358 3.0682 3.0682 3.0969 3.1011 3.1064 3.1064 3.7964 3.7964 3.9493 3.9493 3.9613 4.0125 4.0125 4.0281 4.0853 4.0912 4.0925 4.0925 4.3811 4.3811 4.6230 4.6541 4.6596 4.6596 4.7134 4.7134 4.7883 4.8088 4.8088 4.8203 6.3366 6.3366 6.3872 6.4009 6.4118 6.4118 7.8860 7.8860 7.8867 7.8992 8.2676 8.2676 8.3528 8.3528 8.3804 8.3859 10.2090 10.2090 10.3277 10.3485 k = 0.4592 0.4592 0.4592 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6431 -6.6431 -6.5874 -6.5874 -6.5854 -6.5847 -6.5653 -6.5653 1.0920 1.0920 1.1093 1.1217 1.1266 1.1266 1.6442 1.6442 2.6550 2.6580 2.6690 2.6690 2.6902 2.6902 2.7271 2.7271 2.7273 2.7348 3.0780 3.0780 3.0958 3.0990 3.1045 3.1045 3.7950 3.7950 3.9501 3.9501 3.9716 4.0107 4.0107 4.0272 4.0859 4.0917 4.0917 4.0919 4.3809 4.3809 4.6315 4.6567 4.6600 4.6600 4.7137 4.7137 4.7825 4.7996 4.7996 4.8084 6.3579 6.3579 6.4132 6.4246 6.4305 6.4305 7.8979 7.8981 7.8981 7.9080 8.2797 8.2797 8.3604 8.3604 8.3807 8.3858 10.2057 10.2057 10.2791 10.2962 k = 0.4694 0.4694 0.4694 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6311 -6.6311 -6.5892 -6.5892 -6.5871 -6.5865 -6.5723 -6.5723 1.0863 1.0863 1.1063 1.1155 1.1168 1.1168 1.6367 1.6367 2.6636 2.6645 2.6726 2.6726 2.6917 2.6917 2.7261 2.7273 2.7273 2.7331 3.0857 3.0857 3.0951 3.0974 3.1032 3.1032 3.7939 3.7939 3.9507 3.9507 3.9815 4.0093 4.0093 4.0245 4.0870 4.0912 4.0912 4.0921 4.3811 4.3811 4.6395 4.6587 4.6592 4.6592 4.7161 4.7161 4.7779 4.7910 4.7910 4.7976 6.3747 6.3747 6.4346 6.4433 6.4455 6.4455 7.9076 7.9085 7.9085 7.9153 8.2869 8.2869 8.3681 8.3681 8.3806 8.3848 10.2027 10.2027 10.2410 10.2541 k = 0.4796 0.4796 0.4796 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6204 -6.6204 -6.5905 -6.5905 -6.5882 -6.5879 -6.5794 -6.5794 1.0818 1.0818 1.1045 1.1101 1.1101 1.1106 1.6312 1.6312 2.6697 2.6700 2.6742 2.6742 2.6942 2.6942 2.7253 2.7270 2.7270 2.7309 3.0911 3.0911 3.0947 3.0961 3.1025 3.1025 3.7929 3.7929 3.9511 3.9511 3.9910 4.0084 4.0084 4.0202 4.0882 4.0908 4.0908 4.0920 4.3814 4.3814 4.6467 4.6581 4.6581 4.6596 4.7195 4.7195 4.7750 4.7835 4.7835 4.7883 6.3868 6.3868 6.4507 6.4566 6.4566 6.4566 7.9154 7.9167 7.9167 7.9206 8.2906 8.2906 8.3748 8.3748 8.3803 8.3833 10.1999 10.1999 10.2139 10.2228 k = 0.4898 0.4898 0.4898 ( 6614 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6114 -6.6114 -6.5915 -6.5915 -6.5889 -6.5887 -6.5860 -6.5860 1.0790 1.0790 1.1040 1.1061 1.1061 1.1070 1.6279 1.6279 2.6734 2.6738 2.6748 2.6748 2.6962 2.6962 2.7253 2.7266 2.7266 2.7285 3.0939 3.0939 3.0946 3.0953 3.1025 3.1025 3.7923 3.7923 3.9513 3.9513 3.9997 4.0078 4.0078 4.0144 4.0894 4.0906 4.0906 4.0914 4.3816 4.3816 4.6526 4.6571 4.6571 4.6590 4.7224 4.7224 4.7743 4.7782 4.7782 4.7810 6.3941 6.3941 6.4612 6.4634 6.4634 6.4642 7.9209 7.9218 7.9218 7.9235 8.2922 8.2922 8.3793 8.3793 8.3803 8.3819 10.1966 10.1966 10.1984 10.2029 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6069 -6.6069 -6.5925 -6.5925 -6.5890 -6.5890 -6.5890 -6.5890 1.0781 1.0781 1.1048 1.1048 1.1048 1.1048 1.6268 1.6268 2.6748 2.6748 2.6748 2.6748 2.6969 2.6969 2.7264 2.7264 2.7264 2.7264 3.0946 3.0946 3.0946 3.0946 3.1025 3.1025 3.7920 3.7920 3.9512 3.9512 4.0074 4.0074 4.0074 4.0074 4.0904 4.0904 4.0904 4.0904 4.3814 4.3814 4.6566 4.6566 4.6566 4.6566 4.7235 4.7235 4.7762 4.7762 4.7762 4.7762 6.3965 6.3965 6.4657 6.4657 6.4657 6.4657 7.9236 7.9236 7.9236 7.9236 8.2926 8.2926 8.3808 8.3808 8.3808 8.3808 10.1947 10.1947 10.1947 10.1947 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6069 -6.6069 -6.5925 -6.5925 -6.5890 -6.5890 -6.5890 -6.5890 1.0781 1.0781 1.1048 1.1048 1.1048 1.1048 1.6268 1.6268 2.6748 2.6748 2.6748 2.6748 2.6969 2.6969 2.7264 2.7264 2.7264 2.7264 3.0946 3.0946 3.0946 3.0946 3.1025 3.1025 3.7920 3.7920 3.9512 3.9512 4.0074 4.0074 4.0074 4.0074 4.0904 4.0904 4.0904 4.0904 4.3814 4.3814 4.6566 4.6566 4.6566 4.6566 4.7235 4.7235 4.7762 4.7762 4.7762 4.7762 6.3965 6.3965 6.4657 6.4657 6.4657 6.4657 7.9236 7.9236 7.9236 7.9236 8.2926 8.2926 8.3808 8.3808 8.3808 8.3808 10.1947 10.1947 10.1947 10.1947 k = 0.4875 0.5000 0.4875 ( 6618 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6114 -6.6114 -6.5916 -6.5916 -6.5889 -6.5888 -6.5859 -6.5858 1.0790 1.0790 1.1041 1.1057 1.1065 1.1070 1.6279 1.6279 2.6735 2.6739 2.6747 2.6748 2.6962 2.6962 2.7252 2.7264 2.7269 2.7285 3.0938 3.0942 3.0945 3.0951 3.1024 3.1025 3.7923 3.7923 3.9513 3.9513 3.9999 4.0058 4.0096 4.0142 4.0894 4.0903 4.0908 4.0914 4.3815 4.3816 4.6527 4.6562 4.6577 4.6591 4.7224 4.7225 4.7744 4.7775 4.7789 4.7811 6.3941 6.3941 6.4612 6.4631 6.4634 6.4645 7.9203 7.9217 7.9222 7.9239 8.2922 8.2922 8.3791 8.3796 8.3803 8.3818 10.1966 10.1977 10.1981 10.2024 k = 0.4750 0.5000 0.4750 ( 6606 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6203 -6.6202 -6.5912 -6.5910 -6.5882 -6.5879 -6.5791 -6.5789 1.0818 1.0819 1.1048 1.1090 1.1107 1.1107 1.6312 1.6313 2.6699 2.6702 2.6740 2.6742 2.6939 2.6942 2.7242 2.7271 2.7275 2.7314 3.0907 3.0924 3.0946 3.0953 3.1020 3.1029 3.7929 3.7930 3.9511 3.9511 3.9916 4.0043 4.0120 4.0199 4.0883 4.0902 4.0913 4.0920 4.3813 4.3814 4.6468 4.6563 4.6580 4.6611 4.7197 4.7197 4.7747 4.7822 4.7842 4.7889 6.3867 6.3867 6.4503 6.4550 6.4565 6.4590 7.9122 7.9151 7.9193 7.9227 8.2906 8.2908 8.3744 8.3755 8.3801 8.3830 10.2022 10.2046 10.2106 10.2176 k = 0.4625 0.5000 0.4625 ( 6598 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6306 -6.6305 -6.5911 -6.5910 -6.5866 -6.5861 -6.5716 -6.5714 1.0863 1.0864 1.1071 1.1149 1.1159 1.1175 1.6367 1.6367 2.6640 2.6646 2.6728 2.6729 2.6905 2.6913 2.7235 2.7269 2.7293 2.7344 3.0852 3.0890 3.0946 3.0948 3.1026 3.1040 3.7938 3.7939 3.9506 3.9508 3.9826 4.0032 4.0144 4.0245 4.0871 4.0902 4.0917 4.0924 4.3809 4.3812 4.6393 4.6563 4.6570 4.6638 4.7167 4.7168 4.7770 4.7892 4.7916 4.7988 6.3742 6.3743 6.4335 6.4405 6.4461 6.4497 7.9000 7.9043 7.9151 7.9202 8.2869 8.2877 8.3673 8.3694 8.3802 8.3841 10.2103 10.2139 10.2298 10.2373 k = 0.4500 0.5000 0.4500 ( 6598 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6418 -6.6416 -6.5915 -6.5913 -6.5840 -6.5834 -6.5642 -6.5640 1.0921 1.0922 1.1112 1.1226 1.1233 1.1269 1.6442 1.6444 2.6558 2.6580 2.6704 2.6711 2.6864 2.6879 2.7234 2.7263 2.7313 2.7372 3.0775 3.0834 3.0936 3.0947 3.1045 3.1059 3.7950 3.7952 3.9500 3.9502 3.9732 4.0024 4.0169 4.0281 4.0861 4.0902 4.0917 4.0929 4.3804 4.3811 4.6303 4.6529 4.6579 4.6670 4.7144 4.7151 4.7810 4.7971 4.8008 4.8096 6.3563 6.3565 6.4115 6.4208 6.4324 6.4369 7.8847 7.8904 7.9096 7.9163 8.2799 8.2819 8.3585 8.3621 8.3801 8.3847 10.2210 10.2257 10.2554 10.2634 k = 0.4375 0.5000 0.4375 ( 6598 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6538 -6.6536 -6.5921 -6.5920 -6.5806 -6.5799 -6.5569 -6.5566 1.0985 1.0992 1.1175 1.1309 1.1344 1.1391 1.6538 1.6540 2.6460 2.6503 2.6661 2.6684 2.6822 2.6842 2.7239 2.7255 2.7331 2.7393 3.0678 3.0755 3.0925 3.0947 3.1074 3.1085 3.7963 3.7967 3.9490 3.9490 3.9638 4.0019 4.0190 4.0309 4.0856 4.0902 4.0914 4.0937 4.3800 4.3813 4.6205 4.6482 4.6587 4.6704 4.7134 4.7149 4.7867 4.8052 4.8115 4.8207 6.3332 6.3332 6.3852 6.3965 6.4157 6.4210 7.8672 7.8743 7.9029 7.9112 8.2685 8.2721 8.3490 8.3545 8.3795 8.3844 10.2347 10.2404 10.2875 10.2962 k = 0.4250 0.5000 0.4250 ( 6584 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6665 -6.6662 -6.5931 -6.5930 -6.5764 -6.5756 -6.5498 -6.5494 1.1051 1.1071 1.1262 1.1408 1.1481 1.1539 1.6652 1.6657 2.6350 2.6419 2.6596 2.6646 2.6782 2.6804 2.7248 2.7251 2.7346 2.7408 3.0563 3.0655 3.0916 3.0947 3.1111 3.1120 3.7978 3.7984 3.9459 3.9478 3.9561 4.0018 4.0202 4.0335 4.0855 4.0903 4.0908 4.0948 4.3798 4.3820 4.6103 4.6427 4.6592 4.6738 4.7137 4.7164 4.7939 4.8128 4.8234 4.8316 6.3046 6.3049 6.3557 6.3685 6.3963 6.4022 7.8485 7.8569 7.8952 7.9049 8.2522 8.2577 8.3397 8.3474 8.3780 8.3828 10.2514 10.2583 10.3261 10.3355 k = 0.4125 0.5000 0.4125 ( 6576 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6798 -6.6795 -6.5944 -6.5944 -6.5714 -6.5706 -6.5426 -6.5421 1.1119 1.1157 1.1370 1.1524 1.1644 1.1713 1.6785 1.6793 2.6231 2.6328 2.6509 2.6593 2.6747 2.6765 2.7243 2.7270 2.7355 2.7414 3.0429 3.0537 3.0911 3.0950 3.1154 3.1162 3.7992 3.8000 3.9384 3.9463 3.9524 4.0022 4.0199 4.0365 4.0860 4.0901 4.0904 4.0959 4.3799 4.3834 4.5999 4.6367 4.6591 4.6768 4.7150 4.7193 4.8025 4.8196 4.8352 4.8430 6.2711 6.2720 6.3239 6.3376 6.3744 6.3807 7.8292 7.8390 7.8864 7.8974 8.2311 8.2385 8.3307 8.3404 8.3752 8.3796 10.2714 10.2793 10.3709 10.3807 k = 0.4000 0.5000 0.4000 ( 6574 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6937 -6.6934 -6.5962 -6.5962 -6.5658 -6.5648 -6.5354 -6.5349 1.1188 1.1250 1.1498 1.1655 1.1831 1.1910 1.6934 1.6945 2.6103 2.6232 2.6403 2.6525 2.6711 2.6725 2.7242 2.7294 2.7360 2.7412 3.0279 3.0400 3.0912 3.0955 3.1203 3.1211 3.8004 3.8014 3.9288 3.9445 3.9507 4.0028 4.0182 4.0401 4.0868 4.0893 4.0905 4.0973 4.3807 4.3859 4.5898 4.6308 4.6583 4.6793 4.7173 4.7234 4.8121 4.8252 4.8446 4.8567 6.2336 6.2354 6.2903 6.3045 6.3501 6.3567 7.8101 7.8210 7.8767 7.8890 8.2060 8.2152 8.3217 8.3333 8.3710 8.3747 10.2946 10.3037 10.4213 10.4315 k = 0.3875 0.5000 0.3875 ( 6570 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7082 -6.7078 -6.5985 -6.5984 -6.5594 -6.5584 -6.5281 -6.5275 1.1262 1.1348 1.1641 1.1801 1.2040 1.2130 1.7097 1.7113 2.5967 2.6133 2.6283 2.6444 2.6674 2.6681 2.7248 2.7322 2.7362 2.7403 3.0114 3.0246 3.0920 3.0966 3.1258 3.1266 3.8013 3.8024 3.9189 3.9424 3.9495 4.0038 4.0157 4.0441 4.0878 4.0885 4.0908 4.0989 4.3821 4.3895 4.5801 4.6250 4.6571 4.6812 4.7202 4.7282 4.8221 4.8302 4.8512 4.8724 6.1933 6.1961 6.2554 6.2697 6.3234 6.3301 7.7913 7.8033 7.8662 7.8796 8.1777 8.1885 8.3121 8.3254 8.3651 8.3679 10.3210 10.3312 10.4770 10.4874 k = 0.3750 0.5000 0.3750 ( 6566 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7231 -6.7227 -6.6012 -6.6012 -6.5525 -6.5514 -6.5206 -6.5200 1.1339 1.1449 1.1798 1.1960 1.2271 1.2369 1.7272 1.7295 2.5826 2.6031 2.6153 2.6349 2.6634 2.6635 2.7261 2.7343 2.7372 2.7389 2.9935 3.0077 3.0935 3.0984 3.1318 3.1328 3.8018 3.8027 3.9093 3.9399 3.9483 4.0051 4.0128 4.0481 4.0878 4.0886 4.0916 4.1007 4.3845 4.3945 4.5709 4.6196 4.6553 4.6826 4.7233 4.7331 4.8277 4.8388 4.8552 4.8896 6.1514 6.1553 6.2196 6.2336 6.2945 6.3012 7.7733 7.7863 7.8549 7.8693 8.1469 8.1593 8.3015 8.3163 8.3575 8.3592 10.3504 10.3617 10.5375 10.5480 k = 0.3625 0.5000 0.3625 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.7385 -6.7381 -6.6045 -6.6044 -6.5449 -6.5437 -6.5129 -6.5123 1.1420 1.1555 1.1967 1.2130 1.2519 1.2626 1.7457 1.7487 2.5679 2.5928 2.6013 2.6242 2.6586 2.6592 2.7280 2.7343 2.7372 2.7406 2.9744 2.9895 3.0958 3.1009 3.1383 3.1396 3.8018 3.8021 3.9004 3.9370 3.9471 4.0065 4.0101 4.0520 4.0872 4.0890 4.0930 4.1030 4.3879 4.4011 4.5625 4.6146 4.6530 4.6835 4.7264 4.7377 4.8282 4.8517 4.8566 4.9077 6.1089 6.1139 6.1832 6.1968 6.2634 6.2701 7.7562 7.7700 7.8430 7.8581 8.1146 8.1284 8.2895 8.3060 8.3483 8.3486 10.3827 10.3950 10.6022 10.6128 k = 0.3500 0.5000 0.3500 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7542 -6.7538 -6.6082 -6.6082 -6.5367 -6.5355 -6.5050 -6.5044 1.1503 1.1662 1.2145 1.2311 1.2782 1.2897 1.7649 1.7688 2.5527 2.5825 2.5868 2.6125 2.6533 2.6547 2.7305 2.7336 2.7355 2.7450 2.9543 2.9701 3.0991 3.1044 3.1452 3.1469 3.8003 3.8009 3.8925 3.9338 3.9457 4.0078 4.0079 4.0555 4.0868 4.0890 4.0950 4.1056 4.3925 4.4094 4.5547 4.6101 4.6504 4.6840 4.7291 4.7415 4.8257 4.8553 4.8662 4.9265 6.0669 6.0729 6.1466 6.1596 6.2303 6.2369 7.7399 7.7545 7.8303 7.8460 8.0813 8.0964 8.2760 8.2942 8.3363 8.3375 10.4175 10.4307 10.6709 10.6815 k = 0.3375 0.5000 0.3375 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7703 -6.7698 -6.6125 -6.6125 -6.5281 -6.5268 -6.4968 -6.4962 1.1589 1.1771 1.2332 1.2500 1.3059 1.3181 1.7845 1.7894 2.5371 2.5719 2.5721 2.5999 2.6479 2.6501 2.7320 2.7330 2.7353 2.7499 2.9334 2.9497 3.1033 3.1088 3.1526 3.1548 3.7971 3.7993 3.8858 3.9301 3.9443 4.0067 4.0090 4.0586 4.0867 4.0888 4.0974 4.1089 4.3983 4.4195 4.5477 4.6062 4.6473 4.6840 4.7313 4.7443 4.8208 4.8511 4.8818 4.9459 6.0258 6.0329 6.1104 6.1224 6.1956 6.2020 7.7246 7.7399 7.8169 7.8327 8.0478 8.0640 8.2609 8.2809 8.3225 8.3253 10.4544 10.4685 10.7429 10.7535 k = 0.3250 0.5000 0.3250 ( 6550 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7865 -6.7860 -6.6172 -6.6172 -6.5189 -6.5176 -6.4884 -6.4877 1.1674 1.1880 1.2526 1.2695 1.3346 1.3475 1.8041 1.8102 2.5211 2.5567 2.5619 2.5866 2.6423 2.6453 2.7312 2.7326 2.7385 2.7552 2.9119 2.9287 3.1085 3.1144 3.1605 3.1632 3.7925 3.7969 3.8804 3.9260 3.9428 4.0066 4.0098 4.0612 4.0867 4.0884 4.1003 4.1129 4.4055 4.4314 4.5414 4.6027 4.6438 4.6837 4.7330 4.7456 4.8139 4.8441 4.8983 4.9657 5.9861 5.9943 6.0747 6.0857 6.1596 6.1658 7.7102 7.7261 7.8025 7.8182 8.0150 8.0321 8.2442 8.2663 8.3072 8.3118 10.4931 10.5080 10.8178 10.8285 k = 0.3125 0.5000 0.3125 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.8029 -6.8024 -6.6224 -6.6224 -6.5094 -6.5079 -6.4798 -6.4791 1.1759 1.1987 1.2724 1.2895 1.3640 1.3776 1.8234 1.8309 2.5049 2.5416 2.5518 2.5728 2.6366 2.6405 2.7302 2.7326 2.7429 2.7608 2.8901 2.9072 3.1147 3.1211 3.1688 3.1722 3.7867 3.7935 3.8762 3.9216 3.9411 4.0076 4.0101 4.0632 4.0869 4.0878 4.1035 4.1178 4.4139 4.4450 4.5358 4.5997 4.6398 4.6827 4.7340 4.7448 4.8055 4.8343 4.9154 4.9858 5.9479 5.9573 6.0400 6.0498 6.1229 6.1288 7.6968 7.7131 7.7869 7.8018 7.9838 8.0013 8.2260 8.2503 8.2908 8.2972 10.5331 10.5487 10.8952 10.9059 k = 0.3000 0.5000 0.3000 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.8194 -6.8189 -6.6280 -6.6279 -6.4994 -6.4979 -6.4709 -6.4702 1.1842 1.2090 1.2925 1.3097 1.3940 1.4081 1.8420 1.8512 2.4887 2.5265 2.5418 2.5588 2.6310 2.6357 2.7298 2.7333 2.7478 2.7667 2.8684 2.8857 3.1219 3.1289 3.1776 3.1817 3.7798 3.7893 3.8730 3.9170 3.9394 4.0098 4.0099 4.0646 4.0869 4.0871 4.1071 4.1236 4.4235 4.4601 4.5310 4.5972 4.6352 4.6811 4.7346 4.7412 4.7967 4.8218 4.9330 5.0060 5.9109 5.9215 6.0067 6.0149 6.0863 6.0920 7.6841 7.7008 7.7696 7.7832 7.9551 7.9726 8.2064 8.2331 8.2734 8.2818 10.5740 10.5900 10.9744 10.9853 k = 0.2875 0.5000 0.2875 ( 6550 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.8359 -6.8354 -6.6339 -6.6339 -6.4892 -6.4876 -6.4619 -6.4612 1.1920 1.2188 1.3128 1.3300 1.4241 1.4388 1.8598 1.8706 2.4726 2.5117 2.5319 2.5448 2.6253 2.6311 2.7298 2.7346 2.7532 2.7727 2.8471 2.8647 3.1302 3.1381 3.1869 3.1918 3.7724 3.7844 3.8706 3.9122 3.9375 4.0090 4.0130 4.0656 4.0857 4.0874 4.1111 4.1303 4.4341 4.4761 4.5271 4.5950 4.6300 4.6784 4.7340 4.7351 4.7889 4.8072 4.9509 5.0262 5.8744 5.8861 5.9749 5.9815 6.0508 6.0564 7.6723 7.6892 7.7502 7.7618 7.9297 7.9467 8.1854 8.2148 8.2556 8.2658 10.6152 10.6316 11.0551 11.0661 k = 0.2750 0.5000 0.2750 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.8524 -6.8518 -6.6402 -6.6401 -6.4786 -6.4771 -6.4527 -6.4520 1.1993 1.2280 1.3330 1.3502 1.4542 1.4693 1.8762 1.8889 2.4569 2.4973 2.5219 2.5314 2.6198 2.6265 2.7300 2.7367 2.7592 2.7787 2.8269 2.8449 3.1395 3.1485 3.1966 3.2024 3.7646 3.7788 3.8686 3.9075 3.9355 4.0073 4.0171 4.0662 4.0840 4.0877 4.1154 4.1379 4.4454 4.4919 4.5248 4.5931 4.6239 4.6743 4.7228 4.7359 4.7831 4.7909 4.9692 5.0462 5.8374 5.8499 5.9449 5.9498 6.0174 6.0232 7.6612 7.6782 7.7284 7.7374 7.9082 7.9244 8.1632 8.1954 8.2374 8.2494 10.6564 10.6730 11.1367 11.1479 k = 0.2625 0.5000 0.2625 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.8686 -6.8681 -6.6466 -6.6465 -6.4679 -6.4664 -6.4434 -6.4427 1.2059 1.2362 1.3530 1.3701 1.4839 1.4993 1.8912 1.9058 2.4418 2.4833 2.5109 2.5197 2.6145 2.6221 2.7297 2.7389 2.7656 2.7834 2.8097 2.8274 3.1500 3.1602 3.2069 3.2137 3.7568 3.7727 3.8671 3.9028 3.9334 4.0050 4.0217 4.0666 4.0819 4.0880 4.1200 4.1463 4.4570 4.5031 4.5277 4.5914 4.6169 4.6686 4.7087 4.7370 4.7740 4.7796 4.9875 5.0661 5.7990 5.8117 5.9169 5.9206 5.9875 5.9937 7.6508 7.6677 7.7041 7.7105 7.8907 7.9060 8.1401 8.1752 8.2193 8.2328 10.6969 10.7136 11.2185 11.2301 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.8847 -6.8842 -6.6533 -6.6532 -6.4571 -6.4555 -6.4341 -6.4333 1.2117 1.2434 1.3726 1.3894 1.5130 1.5287 1.9045 1.9212 2.4275 2.4700 2.4988 2.5101 2.6093 2.6179 2.7274 2.7400 2.7724 2.7820 2.8020 2.8137 3.1616 3.1733 3.2178 3.2257 3.7492 3.7662 3.8657 3.8983 3.9313 4.0019 4.0268 4.0669 4.0793 4.0883 4.1250 4.1552 4.4683 4.5047 4.5398 4.5900 4.6088 4.6608 4.6932 4.7371 4.7593 4.7783 5.0058 5.0856 5.7581 5.7702 5.8911 5.8942 5.9619 5.9686 7.6409 7.6570 7.6777 7.6822 7.8768 7.8915 8.1163 8.1543 8.2015 8.2162 10.7364 10.7530 11.3000 11.3118 k = 0.2375 0.5000 0.2375 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.9005 -6.8999 -6.6600 -6.6599 -6.4462 -6.4446 -6.4247 -6.4240 1.2166 1.2495 1.3916 1.4080 1.5412 1.5570 1.9161 1.9349 2.4143 2.4574 2.4863 2.5021 2.6043 2.6138 2.7214 2.7365 2.7764 2.7796 2.8054 2.8057 3.1745 3.1877 3.2293 3.2385 3.7419 3.7596 3.8644 3.8939 3.9291 3.9982 4.0318 4.0671 4.0763 4.0887 4.1302 4.1644 4.4784 4.5008 4.5549 4.5887 4.5997 4.6510 4.6783 4.7295 4.7546 4.7793 5.0241 5.1045 5.7145 5.7252 5.8676 5.8709 5.9409 5.9480 7.6313 7.6421 7.6500 7.6571 7.8657 7.8807 8.0920 8.1332 8.1842 8.1998 10.7745 10.7909 11.3804 11.3924 k = 0.2250 0.5000 0.2250 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7495 -31.7495 -6.9159 -6.9154 -6.6669 -6.6668 -6.4352 -6.4337 -6.4154 -6.4147 1.2204 1.2542 1.4098 1.4257 1.5682 1.5841 1.9259 1.9467 2.4023 2.4456 2.4743 2.4953 2.5995 2.6098 2.7114 2.7264 2.7767 2.7871 2.8040 2.8118 3.1886 3.2034 3.2415 3.2520 3.7352 3.7528 3.8632 3.8898 3.9270 3.9939 4.0366 4.0675 4.0729 4.0891 4.1356 4.1736 4.4863 4.4940 4.5676 4.5875 4.5908 4.6394 4.6660 4.7160 4.7596 4.7829 5.0421 5.1228 5.6682 5.6770 5.8466 5.8507 5.9243 5.9318 7.6152 7.6169 7.6266 7.6439 7.8569 7.8731 8.0676 8.1123 8.1675 8.1838 10.8107 10.8268 11.4590 11.4708 k = 0.2125 0.5000 0.2125 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7495 -31.7495 -6.9309 -6.9304 -6.6737 -6.6736 -6.4244 -6.4228 -6.4061 -6.4054 1.2232 1.2575 1.4270 1.4423 1.5940 1.6097 1.9339 1.9567 2.3918 2.4350 2.4629 2.4894 2.5949 2.6060 2.6985 2.7128 2.7821 2.7946 2.8074 2.8190 3.2040 3.2203 3.2544 3.2666 3.7289 3.7461 3.8618 3.8858 3.9248 3.9891 4.0407 4.0676 4.0697 4.0896 4.1411 4.1826 4.4842 4.4910 4.5687 4.5859 4.5892 4.6270 4.6581 4.7034 4.7687 4.7895 5.0598 5.1402 5.6198 5.6262 5.8282 5.8335 5.9117 5.9194 7.5846 7.5889 7.6168 7.6348 7.8499 7.8680 8.0434 8.0918 8.1515 8.1682 10.8449 10.8605 11.5348 11.5457 k = 0.2000 0.5000 0.2000 ( 6566 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9454 -6.9449 -6.6805 -6.6804 -6.4137 -6.4121 -6.3970 -6.3963 1.2248 1.2593 1.4432 1.4577 1.6182 1.6336 1.9403 1.9649 2.3829 2.4257 2.4525 2.4846 2.5905 2.6023 2.6843 2.6987 2.7899 2.8021 2.8142 2.8263 3.2206 3.2383 3.2681 3.2822 3.7233 3.7395 3.8603 3.8820 3.9227 3.9839 4.0435 4.0651 4.0697 4.0901 4.1463 4.1909 4.4709 4.4912 4.5584 4.5821 4.5942 4.6164 4.6559 4.6936 4.7805 4.7992 5.0770 5.1564 5.5696 5.5735 5.8126 5.8195 5.9023 5.9103 7.5538 7.5593 7.6092 7.6268 7.8439 7.8650 8.0199 8.0724 8.1363 8.1532 10.8767 10.8917 11.6063 11.6153 k = 0.1875 0.5000 0.1875 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9593 -6.9588 -6.6872 -6.6871 -6.4031 -6.4016 -6.3881 -6.3875 1.2253 1.2596 1.4581 1.4718 1.6407 1.6556 1.9452 1.9714 2.3755 2.4181 2.4430 2.4810 2.5863 2.5988 2.6700 2.6851 2.7988 2.8098 2.8229 2.8338 3.2384 3.2571 3.2827 3.2989 3.7182 3.7330 3.8585 3.8785 3.9208 3.9785 4.0440 4.0625 4.0713 4.0907 4.1510 4.1983 4.4541 4.4862 4.5453 4.5728 4.5981 4.6121 4.6591 4.6875 4.7945 4.8120 5.0937 5.1713 5.5185 5.5197 5.7999 5.8085 5.8957 5.9038 7.5237 7.5299 7.6023 7.6194 7.8385 7.8633 7.9977 8.0545 8.1221 8.1390 10.9060 10.9203 11.6714 11.6762 k = 0.1750 0.5000 0.1750 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7496 -31.7496 -31.7494 -31.7494 -6.9727 -6.9722 -6.6937 -6.6936 -6.3929 -6.3915 -6.3795 -6.3788 1.2248 1.2585 1.4718 1.4845 1.6613 1.6757 1.9487 1.9761 2.3697 2.4122 2.4346 2.4787 2.5823 2.5954 2.6563 2.6724 2.8084 2.8176 2.8323 2.8411 3.2573 3.2766 3.2983 3.3170 3.7136 3.7267 3.8565 3.8751 3.9192 3.9731 4.0417 4.0614 4.0736 4.0914 4.1549 4.2042 4.4344 4.4763 4.5310 4.5582 4.6015 4.6145 4.6656 4.6849 4.8102 4.8272 5.1094 5.1846 5.4652 5.4669 5.7902 5.8008 5.8913 5.8995 7.4946 7.5013 7.5959 7.6125 7.8332 7.8620 7.9776 8.0386 8.1088 8.1255 10.9326 10.9462 11.7216 11.7249 k = 0.1625 0.5000 0.1625 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -6.9853 -6.9849 -6.7000 -6.6999 -6.3830 -6.3816 -6.3712 -6.3705 1.2232 1.2560 1.4840 1.4957 1.6801 1.6937 1.9510 1.9793 2.3654 2.4085 2.4272 2.4776 2.5784 2.5922 2.6437 2.6609 2.8181 2.8256 2.8418 2.8484 3.2771 3.2966 3.3149 3.3363 3.7094 3.7205 3.8542 3.8718 3.9178 3.9679 4.0371 4.0615 4.0765 4.0921 4.1576 4.2084 4.4128 4.4622 4.5158 4.5413 4.6059 4.6212 4.6739 4.6854 4.8272 4.8439 5.1240 5.1958 5.4105 5.4154 5.7838 5.7963 5.8885 5.8969 7.4667 7.4737 7.5901 7.6060 7.8276 7.8599 7.9607 8.0251 8.0967 8.1129 10.9565 10.9694 11.7381 11.7513 k = 0.1500 0.5000 0.1500 ( 6562 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -6.9973 -6.9968 -6.7060 -6.7059 -6.3735 -6.3722 -6.3632 -6.3626 1.2208 1.2524 1.4949 1.5055 1.6969 1.7096 1.9523 1.9809 2.3625 2.4069 2.4208 2.4778 2.5746 2.5891 2.6321 2.6505 2.8276 2.8335 2.8511 2.8553 3.2977 3.3170 3.3327 3.3568 3.7054 3.7143 3.8515 3.8687 3.9168 3.9630 4.0313 4.0620 4.0795 4.0928 4.1586 4.2105 4.3900 4.4450 4.4998 4.5238 4.6119 4.6305 4.6835 4.6886 4.8449 4.8612 5.1371 5.2048 5.3562 5.3645 5.7808 5.7952 5.8872 5.8956 7.4403 7.4474 7.5848 7.5998 7.8212 7.8554 7.9487 8.0143 8.0856 8.1013 10.9777 10.9899 11.7145 11.7269 k = 0.1375 0.5000 0.1375 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7494 -31.7494 -7.0084 -7.0080 -6.7117 -6.7116 -6.3645 -6.3632 -6.3556 -6.3551 1.2178 1.2477 1.5043 1.5138 1.7118 1.7235 1.9528 1.9812 2.3608 2.4077 2.4153 2.4794 2.5709 2.5862 2.6219 2.6412 2.8369 2.8413 2.8598 2.8620 3.3188 3.3377 3.3516 3.3782 3.7014 3.7083 3.8486 3.8657 3.9164 3.9586 4.0249 4.0628 4.0827 4.0936 4.1579 4.2102 4.3667 4.4257 4.4837 4.5065 4.6198 4.6418 4.6941 4.6941 4.8628 4.8783 5.1483 5.2112 5.3028 5.3146 5.7812 5.7972 5.8869 5.8953 7.4156 7.4225 7.5800 7.5941 7.8138 7.8473 7.9424 8.0064 8.0759 8.0907 10.9963 11.0077 11.6603 11.6665 k = 0.1250 0.5000 0.1250 ( 6562 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0188 -7.0184 -6.7171 -6.7170 -6.3560 -6.3549 -6.3485 -6.3480 1.2142 1.2422 1.5124 1.5207 1.7249 1.7355 1.9526 1.9803 2.3601 2.4105 2.4107 2.4822 2.5673 2.5835 2.6128 2.6327 2.8456 2.8488 2.8679 2.8683 3.3402 3.3587 3.3715 3.4001 3.6972 3.7021 3.8456 3.8628 3.9164 3.9550 4.0181 4.0637 4.0855 4.0944 4.1550 4.2075 4.3434 4.4048 4.4679 4.4901 4.6295 4.6548 4.7017 4.7058 4.8804 4.8944 5.1572 5.2147 5.2508 5.2664 5.7850 5.8023 5.8874 5.8959 7.3926 7.3993 7.5757 7.5888 7.8056 7.8360 7.9417 8.0010 8.0674 8.0811 11.0123 11.0230 11.5914 11.5935 k = 0.1125 0.5000 0.1125 ( 6558 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0283 -7.0279 -6.7221 -6.7220 -6.3481 -6.3471 -6.3419 -6.3415 1.2103 1.2361 1.5192 1.5264 1.7361 1.7457 1.9521 1.9784 2.3604 2.4065 2.4158 2.4861 2.5638 2.5810 2.6050 2.6251 2.8538 2.8560 2.8741 2.8751 3.3618 3.3799 3.3923 3.4222 3.6923 3.6956 3.8429 3.8601 3.9172 3.9521 4.0115 4.0647 4.0877 4.0950 4.1504 4.2024 4.3204 4.3831 4.4530 4.4748 4.6407 4.6691 4.7110 4.7185 4.8973 4.9091 5.1630 5.1980 5.2180 5.2207 5.7920 5.8100 5.8885 5.8971 7.3715 7.3777 7.5718 7.5839 7.7966 7.8226 7.9448 7.9978 8.0605 8.0728 11.0258 11.0359 11.5168 11.5170 k = 0.1000 0.5000 0.1000 ( 6554 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0369 -7.0366 -6.7266 -6.7266 -6.3409 -6.3400 -6.3359 -6.3355 1.2062 1.2296 1.5248 1.5310 1.7457 1.7541 1.9512 1.9758 2.3615 2.4030 2.4226 2.4910 2.5602 2.5787 2.5982 2.6180 2.8612 2.8627 2.8794 2.8813 3.3835 3.4014 3.4137 3.4439 3.6865 3.6888 3.8406 3.8575 3.9188 3.9503 4.0050 4.0658 4.0886 4.0955 4.1447 4.1953 4.2980 4.3611 4.4395 4.4608 4.6534 4.6843 4.7219 4.7319 4.9131 4.9220 5.1501 5.1600 5.1837 5.2158 5.8016 5.8195 5.8902 5.8989 7.3523 7.3581 7.5684 7.5793 7.7873 7.8087 7.9502 7.9961 8.0552 8.0657 11.0370 11.0466 11.4413 11.4417 k = 0.0875 0.5000 0.0875 ( 6546 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0445 -7.0442 -6.7307 -6.7307 -6.3344 -6.3335 -6.3305 -6.3301 1.2023 1.2231 1.5293 1.5345 1.7538 1.7611 1.9503 1.9726 2.3632 2.3999 2.4308 2.4965 2.5566 2.5767 2.5924 2.6114 2.8680 2.8690 2.8842 2.8867 3.4052 3.4230 3.4351 3.4648 3.6794 3.6814 3.8390 3.8550 3.9214 3.9494 3.9988 4.0669 4.0869 4.0958 4.1396 4.1868 4.2764 4.3389 4.4277 4.4483 4.6674 4.7002 4.7345 4.7458 4.9274 4.9326 5.1038 5.1285 5.1758 5.2122 5.8133 5.8301 5.8923 5.9012 7.3352 7.3404 7.5655 7.5752 7.7780 7.7951 7.9567 7.9951 8.0515 8.0599 11.0461 11.0552 11.3693 11.3694 k = 0.0750 0.5000 0.0750 ( 6534 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0512 -7.0510 -6.7344 -6.7343 -6.3286 -6.3279 -6.3257 -6.3254 1.1986 1.2167 1.5329 1.5372 1.7604 1.7666 1.9495 1.9691 2.3654 2.3972 2.4401 2.5023 2.5531 2.5749 2.5876 2.6050 2.8740 2.8746 2.8883 2.8911 3.4267 3.4443 3.4562 3.4843 3.6710 3.6733 3.8383 3.8527 3.9250 3.9496 3.9930 4.0678 4.0812 4.0956 4.1371 4.1775 4.2560 4.3170 4.4181 4.4373 4.6829 4.7161 4.7483 4.7595 4.9397 4.9407 5.0605 5.0912 5.1748 5.2069 5.8260 5.8409 5.8949 5.9040 7.3202 7.3247 7.5631 7.5715 7.7692 7.7826 7.9634 7.9944 8.0495 8.0555 11.0530 11.0620 11.3024 11.3032 k = 0.0625 0.5000 0.0625 ( 6542 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0569 -7.0567 -6.7374 -6.7374 -6.3237 -6.3231 -6.3216 -6.3213 1.1954 1.2106 1.5356 1.5391 1.7658 1.7710 1.9488 1.9654 2.3679 2.3947 2.4500 2.5076 2.5501 2.5732 2.5836 2.5989 2.8793 2.8796 2.8918 2.8946 3.4478 3.4650 3.4762 3.5018 3.6611 3.6644 3.8382 3.8506 3.9298 3.9508 3.9875 4.0661 4.0732 4.0947 4.1380 4.1685 4.2372 4.2956 4.4104 4.4277 4.6996 4.7320 4.7628 4.7722 4.9456 4.9490 5.0215 5.0571 5.1734 5.2003 5.8386 5.8508 5.8979 5.9072 7.3074 7.3112 7.5611 7.5682 7.7612 7.7714 7.9696 7.9936 8.0489 8.0525 11.0580 11.0670 11.2428 11.2449 k = 0.0500 0.5000 0.0500 ( 6530 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0616 -7.0615 -6.7400 -6.7400 -6.3196 -6.3191 -6.3182 -6.3179 1.1928 1.2051 1.5378 1.5404 1.7702 1.7742 1.9484 1.9619 2.3707 2.3922 2.4602 2.5116 2.5483 2.5718 2.5805 2.5929 2.8837 2.8838 2.8946 2.8972 3.4682 3.4844 3.4947 3.5170 3.6502 3.6548 3.8388 3.8487 3.9360 3.9535 3.9823 4.0545 4.0719 4.0929 4.1418 4.1607 4.2209 4.2749 4.4049 4.4196 4.7177 4.7476 4.7774 4.7834 4.9458 4.9510 4.9915 5.0287 5.1715 5.1930 5.8501 5.8592 5.9016 5.9107 7.2969 7.2999 7.5597 7.5654 7.7543 7.7618 7.9749 7.9925 8.0492 8.0508 11.0609 11.0701 11.1925 11.1961 k = 0.0375 0.5000 0.0375 ( 6518 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0653 -7.0652 -6.7420 -6.7420 -6.3163 -6.3160 -6.3155 -6.3152 1.1910 1.2003 1.5394 1.5413 1.7735 1.7765 1.9484 1.9586 2.3736 2.3898 2.4705 2.5127 2.5487 2.5705 2.5781 2.5870 2.8873 2.8873 2.8969 2.8990 3.4872 3.5016 3.5112 3.5295 3.6389 3.6445 3.8398 3.8470 3.9431 3.9581 3.9772 4.0387 4.0729 4.0902 4.1471 4.1552 4.2080 4.2554 4.4012 4.4128 4.7369 4.7624 4.7907 4.7919 4.9353 4.9394 4.9819 5.0087 5.1697 5.1858 5.8594 5.8654 5.9059 5.9141 7.2887 7.2910 7.5587 7.5630 7.7489 7.7541 7.9792 7.9913 8.0500 8.0502 11.0617 11.0710 11.1532 11.1583 k = 0.0250 0.5000 0.0250 ( 6522 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0679 -7.0678 -6.7435 -6.7434 -6.3140 -6.3138 -6.3135 -6.3133 1.1901 1.1963 1.5405 1.5418 1.7759 1.7779 1.9488 1.9557 2.3765 2.3873 2.4804 2.5104 2.5517 2.5688 2.5764 2.5816 2.8898 2.8899 2.8985 2.9000 3.5037 3.5148 3.5253 3.5388 3.6283 3.6342 3.8409 3.8456 3.9500 3.9655 3.9721 4.0220 4.0744 4.0866 4.1517 4.1522 4.2006 4.2374 4.3994 4.4073 4.7569 4.7759 4.7970 4.8004 4.9133 4.9262 4.9837 4.9978 5.1685 5.1792 5.8660 5.8695 5.9104 5.9167 7.2829 7.2844 7.5582 7.5611 7.7450 7.7483 7.9824 7.9899 8.0504 8.0507 11.0607 11.0689 11.1269 11.1323 k = 0.0125 0.5000 0.0125 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0695 -7.0694 -6.7443 -6.7443 -6.3127 -6.3126 -6.3122 -6.3121 1.1901 1.1932 1.5412 1.5419 1.7775 1.7786 1.9497 1.9532 2.3793 2.3848 2.4897 2.5052 2.5565 2.5661 2.5755 2.5776 2.8914 2.8915 2.8996 2.9004 3.5160 3.5222 3.5366 3.5442 3.6210 3.6251 3.8420 3.8443 3.9562 3.9670 3.9764 4.0055 4.0765 4.0828 4.1517 4.1536 4.2009 4.2215 4.3992 4.4032 4.7766 4.7869 4.7980 4.8025 4.8997 4.9109 4.9868 4.9927 5.1685 5.1739 5.8700 5.8716 5.9144 5.9178 7.2795 7.2803 7.5582 7.5596 7.7429 7.7445 7.9849 7.9884 8.0509 8.0512 11.0592 11.0641 11.1140 11.1175 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5758 -32.5758 -31.7496 -31.7496 -31.7493 -31.7493 -7.0700 -7.0700 -6.7446 -6.7446 -6.3122 -6.3122 -6.3117 -6.3117 1.1912 1.1912 1.5417 1.5417 1.7784 1.7784 1.9512 1.9512 2.3821 2.3821 2.4981 2.4981 2.5617 2.5617 2.5757 2.5757 2.8920 2.8920 2.9002 2.9002 3.5225 3.5225 3.5435 3.5435 3.6198 3.6198 3.8431 3.8431 3.9617 3.9617 3.9900 3.9900 4.0793 4.0793 4.1528 4.1528 4.2087 4.2087 4.4005 4.4005 4.7933 4.7933 4.7948 4.7948 4.8999 4.8999 4.9897 4.9897 5.1703 5.1703 5.8718 5.8718 5.9170 5.9170 7.2787 7.2787 7.5587 7.5587 7.7427 7.7427 7.9868 7.9868 8.0512 8.0512 11.0600 11.0600 11.1117 11.1117 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7877 -6.7877 -6.6086 -6.6086 -6.6042 -6.6042 -6.4469 -6.4469 1.4518 1.4518 1.4567 1.4567 1.5182 1.5182 2.2322 2.2322 2.3625 2.3625 2.4627 2.4627 2.4751 2.4751 2.5826 2.5826 2.7623 2.7623 2.8490 2.8490 3.0479 3.0479 3.0716 3.0716 3.8039 3.8039 3.9161 3.9161 3.9218 3.9218 4.0516 4.0516 4.1290 4.1290 4.2038 4.2038 4.3226 4.3226 4.6456 4.6456 4.6651 4.6651 4.7715 4.7715 4.8053 4.8053 4.9091 4.9091 5.5182 5.5182 5.5379 5.5379 6.2562 6.2562 7.5320 7.5320 7.5859 7.5859 7.9892 7.9892 8.1617 8.1617 8.2087 8.2087 11.3797 11.3797 11.3862 11.3862 k = 0.5000 0.5000 0.0172 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7874 -6.7874 -6.6086 -6.6086 -6.6042 -6.6042 -6.4471 -6.4471 1.4505 1.4505 1.4553 1.4553 1.5167 1.5167 2.2254 2.2254 2.3672 2.3672 2.4635 2.4635 2.4769 2.4769 2.5828 2.5828 2.7640 2.7640 2.8487 2.8487 3.0481 3.0481 3.0717 3.0717 3.8043 3.8043 3.9162 3.9162 3.9215 3.9215 4.0517 4.0517 4.1287 4.1287 4.2027 4.2027 4.3226 4.3226 4.6394 4.6394 4.6717 4.6717 4.7720 4.7720 4.8062 4.8062 4.9088 4.9088 5.5202 5.5202 5.5397 5.5397 6.2567 6.2567 7.5275 7.5275 7.5928 7.5928 7.9890 7.9890 8.1623 8.1623 8.2094 8.2094 11.3768 11.3768 11.3833 11.3833 k = 0.5000 0.5000 0.0345 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7865 -6.7865 -6.6084 -6.6084 -6.6040 -6.6040 -6.4477 -6.4477 1.4467 1.4467 1.4512 1.4512 1.5121 1.5121 2.2077 2.2077 2.3791 2.3791 2.4658 2.4658 2.4819 2.4819 2.5833 2.5833 2.7690 2.7690 2.8481 2.8481 3.0484 3.0484 3.0720 3.0720 3.8054 3.8054 3.9166 3.9166 3.9205 3.9205 4.0520 4.0520 4.1279 4.1279 4.1994 4.1994 4.3228 4.3228 4.6286 4.6286 4.6834 4.6834 4.7734 4.7734 4.8087 4.8087 4.9079 4.9079 5.5262 5.5262 5.5453 5.5453 6.2584 6.2584 7.5179 7.5179 7.6093 7.6093 7.9885 7.9885 8.1643 8.1643 8.2115 8.2115 11.3681 11.3681 11.3745 11.3745 k = 0.5000 0.5000 0.0517 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7494 -31.7494 -6.7850 -6.7850 -6.6082 -6.6082 -6.6038 -6.6038 -6.4486 -6.4486 1.4405 1.4405 1.4445 1.4445 1.5046 1.5046 2.1833 2.1833 2.3941 2.3941 2.4699 2.4699 2.4898 2.4898 2.5842 2.5842 2.7771 2.7771 2.8470 2.8470 3.0491 3.0491 3.0724 3.0724 3.8071 3.8071 3.9171 3.9171 3.9191 3.9191 4.0523 4.0523 4.1264 4.1264 4.1942 4.1942 4.3232 4.3232 4.6176 4.6176 4.6959 4.6959 4.7759 4.7759 4.8124 4.8124 4.9064 4.9064 5.5362 5.5362 5.5545 5.5545 6.2610 6.2610 7.5081 7.5081 7.6308 7.6308 7.9877 7.9877 8.1676 8.1676 8.2150 8.2150 11.3536 11.3536 11.3597 11.3597 k = 0.5000 0.5000 0.0690 ( 6540 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.7829 -6.7829 -6.6078 -6.6078 -6.6035 -6.6035 -6.4499 -6.4499 1.4319 1.4319 1.4355 1.4355 1.4945 1.4945 2.1551 2.1551 2.4099 2.4099 2.4758 2.4758 2.4999 2.4999 2.5853 2.5853 2.7881 2.7881 2.8455 2.8455 3.0499 3.0499 3.0730 3.0730 3.8096 3.8096 3.9161 3.9161 3.9188 3.9188 4.0529 4.0529 4.1245 4.1245 4.1874 4.1874 4.3238 4.3238 4.6071 4.6071 4.7083 4.7083 4.7793 4.7793 4.8168 4.8168 4.9044 4.9044 5.5504 5.5504 5.5677 5.5677 6.2647 6.2647 7.4997 7.4997 7.6555 7.6555 7.9865 7.9865 8.1721 8.1721 8.2198 8.2198 11.3332 11.3332 11.3389 11.3389 k = 0.5000 0.5000 0.0862 ( 6556 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.7803 -6.7803 -6.6074 -6.6074 -6.6031 -6.6031 -6.4517 -6.4517 1.4210 1.4210 1.4243 1.4243 1.4818 1.4818 2.1248 2.1248 2.4255 2.4255 2.4832 2.4832 2.5116 2.5116 2.5868 2.5868 2.8015 2.8015 2.8437 2.8437 3.0510 3.0510 3.0738 3.0738 3.8126 3.8126 3.9136 3.9136 3.9199 3.9199 4.0536 4.0536 4.1222 4.1222 4.1793 4.1793 4.3246 4.3246 4.5972 4.5972 4.7200 4.7200 4.7836 4.7836 4.8212 4.8212 4.9019 4.9019 5.5688 5.5688 5.5847 5.5847 6.2694 6.2694 7.4934 7.4934 7.6827 7.6827 7.9850 7.9850 8.1777 8.1777 8.2258 8.2258 11.3068 11.3068 11.3120 11.3120 k = 0.5000 0.5000 0.1034 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.7770 -6.7770 -6.6069 -6.6069 -6.6027 -6.6027 -6.4538 -6.4538 1.4078 1.4078 1.4114 1.4114 1.4669 1.4669 2.0932 2.0932 2.4408 2.4408 2.4920 2.4920 2.5242 2.5242 2.5887 2.5887 2.8166 2.8166 2.8420 2.8420 3.0524 3.0524 3.0747 3.0747 3.8159 3.8159 3.9106 3.9106 3.9213 3.9213 4.0544 4.0544 4.1196 4.1196 4.1704 4.1704 4.3258 4.3258 4.5881 4.5881 4.7304 4.7304 4.7890 4.7890 4.8251 4.8251 4.8990 4.8990 5.5914 5.5914 5.6059 5.6059 6.2751 6.2751 7.4897 7.4897 7.7120 7.7120 7.9832 7.9832 8.1844 8.1844 8.2329 8.2329 11.2745 11.2745 11.2792 11.2792 k = 0.5000 0.5000 0.1207 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.7733 -6.7733 -6.6063 -6.6063 -6.6021 -6.6021 -6.4562 -6.4562 1.3927 1.3927 1.3970 1.3970 1.4501 1.4501 2.0611 2.0611 2.4558 2.4558 2.5020 2.5020 2.5374 2.5374 2.5908 2.5908 2.8302 2.8302 2.8430 2.8430 3.0539 3.0539 3.0757 3.0757 3.8196 3.8196 3.9075 3.9075 3.9230 3.9230 4.0553 4.0553 4.1169 4.1169 4.1609 4.1609 4.3274 4.3274 4.5799 4.5799 4.7389 4.7389 4.7952 4.7952 4.8281 4.8281 4.8957 4.8957 5.6182 5.6182 5.6310 5.6310 6.2815 6.2815 7.4887 7.4887 7.7432 7.7432 7.9811 7.9811 8.1921 8.1921 8.2410 8.2410 11.2364 11.2364 11.2405 11.2405 k = 0.5000 0.5000 0.1379 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5759 -32.5759 -31.7497 -31.7497 -31.7495 -31.7495 -6.7689 -6.7689 -6.6056 -6.6056 -6.6015 -6.6015 -6.4591 -6.4591 1.3759 1.3759 1.3811 1.3811 1.4317 1.4317 2.0288 2.0288 2.4707 2.4707 2.5129 2.5129 2.5506 2.5506 2.5934 2.5934 2.8322 2.8322 2.8565 2.8565 3.0556 3.0556 3.0769 3.0769 3.8232 3.8232 3.9044 3.9044 3.9248 3.9248 4.0563 4.0563 4.1140 4.1140 4.1511 4.1511 4.3295 4.3295 4.5727 4.5727 4.7451 4.7451 4.8021 4.8021 4.8298 4.8298 4.8921 4.8921 5.6489 5.6489 5.6603 5.6603 6.2888 6.2888 7.4905 7.4905 7.7761 7.7761 7.9787 7.9787 8.2006 8.2006 8.2501 8.2501 11.1926 11.1926 11.1961 11.1961 k = 0.5000 0.5000 0.1552 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7495 -31.7495 -6.7641 -6.7641 -6.6049 -6.6049 -6.6009 -6.6009 -6.4623 -6.4623 1.3578 1.3578 1.3641 1.3641 1.4120 1.4120 1.9968 1.9968 2.4854 2.4854 2.5245 2.5245 2.5637 2.5637 2.5962 2.5962 2.8294 2.8294 2.8750 2.8750 3.0575 3.0575 3.0782 3.0782 3.8266 3.8266 3.9019 3.9019 3.9268 3.9268 4.0573 4.0573 4.1112 4.1112 4.1413 4.1413 4.3321 4.3321 4.5666 4.5666 4.7488 4.7488 4.8094 4.8094 4.8300 4.8300 4.8884 4.8884 5.6834 5.6834 5.6935 5.6935 6.2969 6.2969 7.4952 7.4952 7.8105 7.8105 7.9761 7.9761 8.2097 8.2097 8.2598 8.2598 11.1436 11.1436 11.1467 11.1467 k = 0.5000 0.5000 0.1724 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7495 -31.7495 -6.7587 -6.7587 -6.6041 -6.6041 -6.6001 -6.6001 -6.4659 -6.4659 1.3388 1.3388 1.3462 1.3462 1.3913 1.3913 1.9652 1.9652 2.5001 2.5001 2.5365 2.5365 2.5765 2.5765 2.5995 2.5995 2.8257 2.8257 2.8944 2.8944 3.0596 3.0596 3.0796 3.0796 3.8293 3.8293 3.9002 3.9002 3.9289 3.9289 4.0583 4.0583 4.1084 4.1084 4.1317 4.1317 4.3351 4.3351 4.5616 4.5616 4.7502 4.7502 4.8164 4.8164 4.8287 4.8287 4.8848 4.8848 5.7211 5.7211 5.7308 5.7308 6.3055 6.3055 7.5030 7.5030 7.8462 7.8462 7.9733 7.9733 8.2195 8.2195 8.2701 8.2701 11.0896 11.0896 11.0929 11.0929 k = 0.5000 0.5000 0.1897 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7495 -31.7495 -6.7529 -6.7529 -6.6033 -6.6033 -6.5994 -6.5994 -6.4699 -6.4699 1.3190 1.3190 1.3276 1.3276 1.3699 1.3699 1.9343 1.9343 2.5147 2.5147 2.5488 2.5488 2.5888 2.5888 2.6035 2.6035 2.8215 2.8215 2.9139 2.9139 3.0618 3.0618 3.0810 3.0810 3.8310 3.8310 3.8998 3.8998 3.9311 3.9311 4.0593 4.0593 4.1059 4.1059 4.1225 4.1225 4.3386 4.3386 4.5577 4.5577 4.7496 4.7496 4.8213 4.8213 4.8268 4.8268 4.8813 4.8813 5.7617 5.7617 5.7718 5.7718 6.3147 6.3147 7.5138 7.5138 7.8829 7.8829 7.9703 7.9703 8.2296 8.2296 8.2807 8.2807 11.0314 11.0314 11.0352 11.0352 k = 0.5000 0.5000 0.2069 ( 6528 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7495 -31.7495 -6.7466 -6.7466 -6.6024 -6.6024 -6.5986 -6.5986 -6.4743 -6.4743 1.2988 1.2988 1.3085 1.3085 1.3481 1.3481 1.9042 1.9042 2.5292 2.5292 2.5612 2.5612 2.5999 2.5999 2.6086 2.6086 2.8169 2.8169 2.9330 2.9330 3.0642 3.0642 3.0826 3.0826 3.8314 3.8314 3.9009 3.9009 3.9332 3.9332 4.0602 4.0602 4.1035 4.1035 4.1139 4.1139 4.3425 4.3425 4.5552 4.5552 4.7471 4.7471 4.8195 4.8195 4.8286 4.8286 4.8783 4.8783 5.8047 5.8047 5.8162 5.8162 6.3243 6.3243 7.5277 7.5277 7.9205 7.9205 7.9671 7.9671 8.2400 8.2400 8.2916 8.2916 10.9698 10.9698 10.9745 10.9745 k = 0.5000 0.5000 0.2241 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7399 -6.7399 -6.6015 -6.6015 -6.5978 -6.5978 -6.4790 -6.4790 1.2785 1.2785 1.2892 1.2892 1.3261 1.3261 1.8751 1.8751 2.5434 2.5434 2.5734 2.5734 2.6078 2.6078 2.6168 2.6168 2.8120 2.8120 2.9515 2.9515 3.0666 3.0666 3.0841 3.0841 3.8304 3.8304 3.9036 3.9036 3.9353 3.9353 4.0609 4.0609 4.1009 4.1009 4.1064 4.1064 4.3466 4.3466 4.5539 4.5539 4.7432 4.7432 4.8139 4.8139 4.8306 4.8306 4.8760 4.8760 5.8498 5.8498 5.8634 5.8634 6.3343 6.3343 7.5445 7.5445 7.9578 7.9578 7.9645 7.9645 8.2504 8.2504 8.3024 8.3024 10.9057 10.9057 10.9114 10.9114 k = 0.5000 0.5000 0.2414 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7328 -6.7328 -6.6006 -6.6006 -6.5970 -6.5970 -6.4841 -6.4841 1.2582 1.2582 1.2699 1.2699 1.3042 1.3042 1.8472 1.8472 2.5573 2.5573 2.5853 2.5853 2.6134 2.6134 2.6274 2.6274 2.8068 2.8068 2.9692 2.9692 3.0690 3.0690 3.0857 3.0857 3.8283 3.8283 3.9079 3.9079 3.9374 3.9374 4.0614 4.0614 4.0967 4.0967 4.1018 4.1018 4.3509 4.3509 4.5541 4.5541 4.7381 4.7381 4.8070 4.8070 4.8305 4.8305 4.8743 4.8743 5.8965 5.8965 5.9128 5.9128 6.3444 6.3444 7.5643 7.5643 7.9600 7.9600 7.9971 7.9971 8.2607 8.2607 8.3131 8.3131 10.8400 10.8400 10.8468 10.8468 k = 0.5000 0.5000 0.2586 ( 6536 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7253 -6.7253 -6.5996 -6.5996 -6.5962 -6.5962 -6.4896 -6.4896 1.2382 1.2382 1.2510 1.2510 1.2827 1.2827 1.8205 1.8205 2.5709 2.5709 2.5967 2.5967 2.6188 2.6188 2.6383 2.6383 2.8013 2.8013 2.9859 2.9859 3.0716 3.0716 3.0873 3.0873 3.8254 3.8254 3.9132 3.9132 3.9395 3.9395 4.0613 4.0613 4.0913 4.0913 4.0996 4.0996 4.3551 4.3551 4.5557 4.5557 4.7320 4.7320 4.7990 4.7990 4.8283 4.8283 4.8730 4.8730 5.9445 5.9445 5.9637 5.9637 6.3547 6.3547 7.5867 7.5867 7.9566 7.9566 8.0351 8.0351 8.2708 8.2708 8.3234 8.3234 10.7736 10.7736 10.7816 10.7816 k = 0.5000 0.5000 0.2759 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7175 -6.7175 -6.5987 -6.5987 -6.5953 -6.5953 -6.4954 -6.4954 1.2188 1.2188 1.2325 1.2325 1.2617 1.2617 1.7953 1.7953 2.5838 2.5838 2.6072 2.6072 2.6246 2.6246 2.6489 2.6489 2.7956 2.7956 3.0014 3.0014 3.0741 3.0741 3.0889 3.0889 3.8219 3.8219 3.9194 3.9194 3.9414 3.9414 4.0603 4.0603 4.0869 4.0869 4.0983 4.0983 4.3592 4.3592 4.5588 4.5588 4.7252 4.7252 4.7903 4.7903 4.8245 4.8245 4.8714 4.8714 5.9932 5.9932 6.0154 6.0154 6.3650 6.3650 7.6117 7.6117 7.9530 7.9530 8.0725 8.0725 8.2806 8.2806 8.3331 8.3331 10.7074 10.7074 10.7165 10.7165 k = 0.5000 0.5000 0.2931 ( 6544 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7093 -6.7093 -6.5978 -6.5978 -6.5945 -6.5945 -6.5016 -6.5016 1.2000 1.2000 1.2147 1.2147 1.2415 1.2415 1.7715 1.7715 2.5962 2.5962 2.6166 2.6166 2.6312 2.6312 2.6590 2.6590 2.7898 2.7898 3.0158 3.0158 3.0766 3.0766 3.0905 3.0905 3.8182 3.8182 3.9260 3.9260 3.9434 3.9434 4.0582 4.0582 4.0840 4.0840 4.0972 4.0972 4.3631 4.3631 4.5635 4.5635 4.7180 4.7180 4.7811 4.7811 4.8197 4.8197 4.8691 4.8691 6.0421 6.0421 6.0675 6.0675 6.3752 6.3752 7.6389 7.6389 7.9495 7.9495 8.1087 8.1087 8.2899 8.2899 8.3421 8.3421 10.6423 10.6423 10.6525 10.6525 k = 0.5000 0.5000 0.3103 ( 6552 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7496 -31.7496 -6.7009 -6.7009 -6.5969 -6.5969 -6.5938 -6.5938 -6.5081 -6.5081 1.1821 1.1821 1.1978 1.1978 1.2221 1.2221 1.7492 1.7492 2.6080 2.6080 2.6246 2.6246 2.6387 2.6387 2.6687 2.6687 2.7837 2.7837 3.0290 3.0290 3.0790 3.0790 3.0921 3.0921 3.8145 3.8145 3.9327 3.9327 3.9454 3.9454 4.0551 4.0551 4.0825 4.0825 4.0964 4.0964 4.3666 4.3666 4.5696 4.5696 4.7106 4.7106 4.7716 4.7716 4.8144 4.8144 4.8657 4.8657 6.0904 6.0904 6.1190 6.1190 6.3853 6.3853 7.6679 7.6679 7.9460 7.9460 8.1433 8.1433 8.2988 8.2988 8.3502 8.3502 10.5791 10.5791 10.5902 10.5902 k = 0.5000 0.5000 0.3276 ( 6560 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6922 -6.6922 -6.5961 -6.5961 -6.5930 -6.5930 -6.5149 -6.5149 1.1652 1.1652 1.1819 1.1819 1.2038 1.2038 1.7286 1.7286 2.6189 2.6189 2.6315 2.6315 2.6468 2.6468 2.6778 2.6778 2.7776 2.7776 3.0410 3.0410 3.0814 3.0814 3.0936 3.0936 3.8108 3.8108 3.9390 3.9390 3.9479 3.9479 4.0512 4.0512 4.0823 4.0823 4.0957 4.0957 4.3697 4.3697 4.5770 4.5770 4.7031 4.7031 4.7621 4.7621 4.8087 4.8087 4.8610 4.8610 6.1376 6.1376 6.1696 6.1696 6.3951 6.3951 7.6984 7.6984 7.9427 7.9427 8.1755 8.1755 8.3074 8.3074 8.3574 8.3574 10.5185 10.5185 10.5305 10.5305 k = 0.5000 0.5000 0.3448 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6834 -6.6834 -6.5952 -6.5952 -6.5923 -6.5923 -6.5220 -6.5220 1.1495 1.1495 1.1671 1.1671 1.1868 1.1868 1.7098 1.7098 2.6289 2.6289 2.6378 2.6378 2.6549 2.6549 2.6863 2.6863 2.7713 2.7713 3.0517 3.0517 3.0836 3.0836 3.0950 3.0950 3.8074 3.8074 3.9437 3.9437 3.9519 3.9519 4.0471 4.0471 4.0826 4.0826 4.0952 4.0952 4.3724 4.3724 4.5856 4.5856 4.6958 4.6958 4.7528 4.7528 4.8032 4.8032 4.8549 4.8549 6.1830 6.1830 6.2183 6.2183 6.4046 6.4046 7.7297 7.7297 7.9394 7.9394 8.2046 8.2046 8.3158 8.3158 8.3636 8.3636 10.4613 10.4613 10.4740 10.4740 k = 0.5000 0.5000 0.3621 ( 6568 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6743 -6.6743 -6.5945 -6.5945 -6.5917 -6.5917 -6.5294 -6.5294 1.1351 1.1351 1.1537 1.1537 1.1711 1.1711 1.6927 1.6927 2.6380 2.6380 2.6439 2.6439 2.6627 2.6627 2.6941 2.6941 2.7650 2.7650 3.0611 3.0611 3.0857 3.0857 3.0964 3.0964 3.8043 3.8043 3.9462 3.9462 3.9579 3.9579 4.0429 4.0429 4.0834 4.0834 4.0947 4.0947 4.3747 4.3747 4.5952 4.5952 4.6888 4.6888 4.7440 4.7440 4.7978 4.7978 4.8475 4.8475 6.2258 6.2258 6.2645 6.2645 6.4137 6.4137 7.7613 7.7613 7.9364 7.9364 8.2298 8.2298 8.3243 8.3243 8.3686 8.3686 10.4082 10.4082 10.4214 10.4214 k = 0.5000 0.5000 0.3793 ( 6576 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6651 -6.6651 -6.5938 -6.5938 -6.5911 -6.5911 -6.5371 -6.5371 1.1222 1.1222 1.1418 1.1418 1.1569 1.1569 1.6775 1.6775 2.6459 2.6459 2.6499 2.6499 2.6699 2.6699 2.7012 2.7012 2.7588 2.7588 3.0694 3.0694 3.0877 3.0877 3.0976 3.0976 3.8015 3.8015 3.9478 3.9478 3.9646 3.9646 4.0387 4.0387 4.0843 4.0843 4.0943 4.0943 4.3765 4.3765 4.6055 4.6055 4.6824 4.6824 4.7360 4.7360 4.7927 4.7927 4.8389 4.8389 6.2652 6.2652 6.3076 6.3076 6.4224 6.4224 7.7924 7.7924 7.9337 7.9337 8.2504 8.2504 8.3334 8.3334 8.3727 8.3727 10.3598 10.3598 10.3733 10.3733 k = 0.5000 0.5000 0.3966 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6559 -6.6559 -6.5932 -6.5932 -6.5906 -6.5906 -6.5451 -6.5451 1.1107 1.1107 1.1313 1.1313 1.1442 1.1442 1.6642 1.6642 2.6526 2.6526 2.6559 2.6559 2.6763 2.6763 2.7075 2.7075 2.7526 2.7526 3.0764 3.0764 3.0895 3.0895 3.0987 3.0987 3.7990 3.7990 3.9488 3.9488 3.9714 3.9714 4.0345 4.0345 4.0853 4.0853 4.0938 4.0938 4.3780 4.3780 4.6161 4.6161 4.6766 4.6766 4.7291 4.7291 4.7881 4.7881 4.8293 4.8293 6.3005 6.3005 6.3467 6.3467 6.4308 6.4308 7.8223 7.8223 7.9312 7.9312 8.2661 8.2661 8.3430 8.3430 8.3757 8.3757 10.3168 10.3168 10.3302 10.3302 k = 0.5000 0.5000 0.4138 ( 6600 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6466 -6.6466 -6.5927 -6.5927 -6.5901 -6.5901 -6.5532 -6.5532 1.1009 1.1009 1.1225 1.1225 1.1332 1.1332 1.6529 1.6529 2.6585 2.6585 2.6614 2.6614 2.6820 2.6820 2.7129 2.7129 2.7466 2.7466 3.0822 3.0822 3.0911 3.0911 3.0997 3.0997 3.7969 3.7969 3.9497 3.9497 3.9781 3.9781 4.0303 4.0303 4.0862 4.0862 4.0934 4.0934 4.3792 4.3792 4.6265 4.6265 4.6715 4.6715 4.7238 4.7238 4.7840 4.7840 4.8190 4.8190 6.3308 6.3308 6.3813 6.3813 6.4390 6.4390 7.8500 7.8500 7.9290 7.9290 8.2770 8.2770 8.3529 8.3529 8.3779 8.3779 10.2795 10.2795 10.2925 10.2925 k = 0.5000 0.5000 0.4310 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6373 -6.6373 -6.5922 -6.5922 -6.5897 -6.5897 -6.5616 -6.5616 1.0928 1.0928 1.1154 1.1154 1.1239 1.1239 1.6436 1.6436 2.6637 2.6637 2.6663 2.6663 2.6869 2.6869 2.7175 2.7175 2.7409 2.7409 3.0869 3.0869 3.0924 3.0924 3.1006 3.1006 3.7952 3.7952 3.9503 3.9503 3.9846 3.9846 4.0261 4.0261 4.0872 4.0872 4.0929 4.0929 4.3802 4.3802 4.6360 4.6360 4.6672 4.6672 4.7204 4.7204 4.7807 4.7807 4.8082 4.8082 6.3556 6.3556 6.4106 6.4106 6.4468 6.4468 7.8745 7.8745 7.9272 7.9272 8.2841 8.2841 8.3622 8.3622 8.3794 8.3794 10.2486 10.2486 10.2603 10.2603 k = 0.5000 0.5000 0.4483 ( 6596 PWs) bands (ev): -58.1611 -58.1611 -32.5760 -32.5760 -31.7497 -31.7497 -31.7497 -31.7497 -6.6281 -6.6281 -6.5919 -6.5919 -6.5894 -6.5894 -6.5700 -6.5700 1.0864 1.0864 1.1100 1.1100 1.1164 1.1164 1.6363 1.6363 2.6681 2.6681 2.6701 2.6701 2.6909 2.6909 2.7211 2.7211 2.7357 2.7357 3.0904 3.0904 3.0935 3.0935 3.1014 3.1014 3.7939 3.7939 3.9508 3.9508 3.9908 3.9908 4.0218 4.0218 4.0882 4.0882 4.0924 4.0924 4.3809 4.3809 4.6441 4.6441 4.6638 4.6638 4.7194 4.7194 4.7780 4.7780 4.7976 4.7976 6.3742 6.3742 6.4341 6.4341 6.4542 6.4542 7.8950 7.8950 7.9257 7.9257 8.2885 8.2885 8.3700 8.3700 8.3803 8.3803 10.2243 10.2243 10.2337 10.2337 k = 0.5000 0.5000 0.4655 ( 6604 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6192 -6.6192 -6.5917 -6.5917 -6.5892 -6.5892 -6.5783 -6.5783 1.0818 1.0818 1.1064 1.1064 1.1107 1.1107 1.6310 1.6310 2.6717 2.6717 2.6728 2.6728 2.6941 2.6941 2.7237 2.7237 2.7313 2.7313 3.0928 3.0928 3.0943 3.0943 3.1020 3.1020 3.7929 3.7929 3.9511 3.9511 3.9967 3.9967 4.0173 4.0173 4.0890 4.0890 4.0918 4.0918 4.3813 4.3813 4.6501 4.6501 4.6610 4.6610 4.7205 4.7205 4.7761 4.7761 4.7879 4.7879 6.3870 6.3870 6.4513 6.4513 6.4604 6.4604 7.9105 7.9105 7.9247 7.9247 8.2910 8.2910 8.3759 8.3759 8.3808 8.3808 10.2070 10.2070 10.2134 10.2134 k = 0.5000 0.5000 0.4828 ( 6620 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6111 -6.6111 -6.5918 -6.5918 -6.5891 -6.5891 -6.5857 -6.5857 1.0790 1.0790 1.1047 1.1047 1.1068 1.1068 1.6279 1.6279 2.6740 2.6740 2.6745 2.6745 2.6962 2.6962 2.7254 2.7254 2.7281 2.7281 3.0942 3.0942 3.0947 3.0947 3.1024 3.1024 3.7923 3.7923 3.9513 3.9513 4.0023 4.0023 4.0125 4.0125 4.0898 4.0898 4.0912 4.0912 4.3816 4.3816 4.6541 4.6541 4.6588 4.6588 4.7226 4.7226 4.7753 4.7753 4.7804 4.7804 6.3942 6.3942 6.4618 6.4618 6.4646 6.4646 7.9201 7.9201 7.9240 7.9240 8.2922 8.2922 8.3794 8.3794 8.3810 8.3810 10.1971 10.1971 10.2002 10.2002 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -58.1611 -58.1611 -32.5761 -32.5761 -31.7497 -31.7497 -31.7497 -31.7497 -6.6069 -6.6069 -6.5925 -6.5925 -6.5890 -6.5890 -6.5890 -6.5890 1.0781 1.0781 1.1048 1.1048 1.1048 1.1048 1.6268 1.6268 2.6748 2.6748 2.6748 2.6748 2.6969 2.6969 2.7264 2.7264 2.7264 2.7264 3.0946 3.0946 3.0946 3.0946 3.1025 3.1025 3.7920 3.7920 3.9512 3.9512 4.0074 4.0074 4.0074 4.0074 4.0904 4.0904 4.0904 4.0904 4.3814 4.3814 4.6566 4.6566 4.6566 4.6566 4.7235 4.7235 4.7762 4.7762 4.7762 4.7762 6.3965 6.3965 6.4657 6.4657 6.4657 6.4657 7.9236 7.9236 7.9236 7.9236 8.2926 8.2926 8.3808 8.3808 8.3808 8.3808 10.1947 10.1947 10.1947 10.1947 Writing output data file VCu3Se4.save init_run : 3.08s CPU 10.82s WALL ( 1 calls) electrons : 1528.35s CPU 1544.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 1528.33s CPU 1544.35s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.20s CPU 0.61s WALL ( 1 calls) newd : 1.07s CPU 1.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.24s WALL ( 222 calls) cegterg : 1475.70s CPU 1488.75s WALL ( 790 calls) Called by sum_band: Called by *egterg: h_psi : 447.90s CPU 457.89s WALL ( 15369 calls) s_psi : 53.72s CPU 54.18s WALL ( 15369 calls) g_psi : 1.34s CPU 1.38s WALL ( 14357 calls) cdiaghg : 729.27s CPU 726.99s WALL ( 14579 calls) cegterg:over : 130.48s CPU 126.31s WALL ( 14357 calls) cegterg:upda : 42.39s CPU 45.70s WALL ( 14357 calls) cegterg:last : 29.45s CPU 29.90s WALL ( 1678 calls) Called by h_psi: h_psi:vloc : 336.34s CPU 343.95s WALL ( 15369 calls) h_psi:vnl : 110.76s CPU 112.44s WALL ( 15369 calls) add_vuspsi : 40.08s CPU 45.81s WALL ( 15369 calls) General routines calbec : 70.63s CPU 66.53s WALL ( 15369 calls) fft : 0.41s CPU 1.27s WALL ( 19 calls) ffts : 0.03s CPU 0.06s WALL ( 4 calls) fftw : 300.83s CPU 298.18s WALL ( 1638560 calls) interpolate : 0.06s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 1.75s WALL ( 444 calls) Parallel routines fft_scatter : 222.47s CPU 205.34s WALL ( 1638583 calls) PWSCF : 26m39.74s CPU 28m50.48s WALL This run was terminated on: 8:39:55 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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