Program PWSCF v.5.1.1 starts on 30Oct2015 at 0: 0: 1 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: ./VCu3S4.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 112 33 9 6260 1001 155 Max 113 34 10 6267 1026 160 Sum 5417 1609 473 300707 48693 7521 bravais-lattice index = 14 lattice parameter (alat) = 10.2752 a.u. unit-cell volume = 1084.8517 (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)= 10.275196 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 S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 S 6.00 32.06500 S( 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= 226 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044248 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044248 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044248 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044248 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044248 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044248 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044248 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044248 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044248 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044248 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044248 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044248 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044248 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044248 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044248 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044248 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044248 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044248 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044248 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044248 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044248 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044248 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044248 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044248 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044248 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044248 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044248 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044248 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044248 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044248 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044248 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044248 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044248 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044248 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044248 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044248 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044248 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044248 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044248 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044248 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044248 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044248 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044248 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044248 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044248 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044248 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044248 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044248 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044248 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044248 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044248 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044248 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044248 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044248 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044248 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044248 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044248 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044248 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044248 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044248 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044248 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044248 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044248 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044248 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044248 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044248 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044248 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044248 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044248 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044248 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044248 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044248 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044248 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044248 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044248 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044248 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044248 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044248 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044248 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044248 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044248 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044248 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044248 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044248 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044248 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044248 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044248 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044248 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044248 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044248 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044248 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044248 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044248 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044248 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044248 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 104) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0044248 k( 105) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0044248 k( 106) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0044248 k( 107) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0044248 k( 108) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0044248 k( 109) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0044248 k( 110) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0044248 k( 111) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0044248 k( 112) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0044248 k( 113) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0044248 k( 114) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0044248 k( 115) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0044248 k( 116) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0044248 k( 117) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0044248 k( 118) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0044248 k( 119) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0044248 k( 120) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0044248 k( 121) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0044248 k( 122) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0044248 k( 123) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0044248 k( 124) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0044248 k( 125) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0044248 k( 126) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0044248 k( 127) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0044248 k( 128) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0044248 k( 129) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0044248 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0044248 k( 131) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0044248 k( 132) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0044248 k( 133) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0044248 k( 134) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0044248 k( 135) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0044248 k( 136) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0044248 k( 137) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0044248 k( 138) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0044248 k( 139) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0044248 k( 140) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0044248 k( 141) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0044248 k( 142) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0044248 k( 143) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0044248 k( 144) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0044248 k( 145) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0044248 k( 146) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0044248 k( 147) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0044248 k( 148) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0044248 k( 149) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0044248 k( 150) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0044248 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0044248 k( 152) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0044248 k( 153) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0044248 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 156) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044248 k( 157) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044248 k( 158) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044248 k( 159) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044248 k( 160) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044248 k( 161) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044248 k( 162) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044248 k( 163) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044248 k( 164) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044248 k( 165) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044248 k( 166) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044248 k( 167) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044248 k( 168) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044248 k( 169) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044248 k( 170) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044248 k( 171) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044248 k( 172) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044248 k( 173) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044248 k( 174) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044248 k( 175) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044248 k( 176) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044248 k( 177) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044248 k( 178) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044248 k( 179) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044248 k( 180) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044248 k( 181) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044248 k( 182) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044248 k( 183) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044248 k( 184) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044248 k( 185) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044248 k( 186) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044248 k( 187) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044248 k( 188) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044248 k( 189) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044248 k( 190) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044248 k( 191) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044248 k( 192) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044248 k( 193) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044248 k( 194) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044248 k( 195) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044248 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044248 k( 197) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044248 k( 198) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044248 k( 199) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044248 k( 200) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044248 k( 201) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044248 k( 202) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044248 k( 203) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044248 k( 204) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044248 k( 205) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044248 k( 206) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044248 k( 207) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044248 k( 208) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044248 k( 209) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044248 k( 210) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044248 k( 211) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044248 k( 212) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044248 k( 213) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044248 k( 214) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044248 k( 215) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044248 k( 216) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044248 k( 217) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044248 k( 218) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044248 k( 219) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044248 k( 220) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044248 k( 221) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044248 k( 222) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044248 k( 223) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044248 k( 224) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044248 k( 225) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044248 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044248 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044248 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044248 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044248 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044248 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044248 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044248 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044248 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044248 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044248 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044248 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044248 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044248 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044248 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044248 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044248 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044248 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044248 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044248 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044248 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044248 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044248 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044248 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044248 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044248 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044248 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044248 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044248 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044248 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044248 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044248 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044248 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044248 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044248 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044248 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044248 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044248 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044248 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044248 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044248 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044248 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044248 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044248 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044248 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044248 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044248 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044248 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044248 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044248 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044248 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044248 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044248 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044248 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044248 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044248 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044248 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044248 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044248 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044248 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044248 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044248 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044248 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044248 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044248 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044248 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044248 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044248 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044248 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044248 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044248 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044248 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044248 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0044248 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044248 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044248 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044248 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044248 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044248 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044248 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044248 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044248 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044248 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044248 k( 89) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0044248 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044248 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044248 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044248 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044248 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044248 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044248 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044248 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044248 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044248 k( 99) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0044248 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044248 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 104) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0044248 k( 105) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0044248 k( 106) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0044248 k( 107) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0044248 k( 108) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0044248 k( 109) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0044248 k( 110) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0044248 k( 111) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0044248 k( 112) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0044248 k( 113) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0044248 k( 114) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0044248 k( 115) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0044248 k( 116) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0044248 k( 117) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0044248 k( 118) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0044248 k( 119) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0044248 k( 120) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0044248 k( 121) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0044248 k( 122) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0044248 k( 123) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0044248 k( 124) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0044248 k( 125) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0044248 k( 126) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0044248 k( 127) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0044248 k( 128) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0044248 k( 129) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0044248 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0044248 k( 131) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0044248 k( 132) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0044248 k( 133) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0044248 k( 134) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0044248 k( 135) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0044248 k( 136) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0044248 k( 137) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0044248 k( 138) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0044248 k( 139) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0044248 k( 140) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0044248 k( 141) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0044248 k( 142) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0044248 k( 143) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0044248 k( 144) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0044248 k( 145) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0044248 k( 146) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0044248 k( 147) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0044248 k( 148) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0044248 k( 149) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0044248 k( 150) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0044248 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0044248 k( 152) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0044248 k( 153) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0044248 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 k( 156) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044248 k( 157) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044248 k( 158) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044248 k( 159) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044248 k( 160) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044248 k( 161) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044248 k( 162) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044248 k( 163) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044248 k( 164) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044248 k( 165) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044248 k( 166) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044248 k( 167) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044248 k( 168) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044248 k( 169) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044248 k( 170) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044248 k( 171) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044248 k( 172) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044248 k( 173) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044248 k( 174) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044248 k( 175) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044248 k( 176) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044248 k( 177) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044248 k( 178) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044248 k( 179) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044248 k( 180) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044248 k( 181) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044248 k( 182) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044248 k( 183) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044248 k( 184) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044248 k( 185) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044248 k( 186) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044248 k( 187) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044248 k( 188) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044248 k( 189) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044248 k( 190) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044248 k( 191) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044248 k( 192) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044248 k( 193) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044248 k( 194) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044248 k( 195) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044248 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044248 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044248 k( 198) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044248 k( 199) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044248 k( 200) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044248 k( 201) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044248 k( 202) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044248 k( 203) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044248 k( 204) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044248 k( 205) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044248 k( 206) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044248 k( 207) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044248 k( 208) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044248 k( 209) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044248 k( 210) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044248 k( 211) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044248 k( 212) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044248 k( 213) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044248 k( 214) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044248 k( 215) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044248 k( 216) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044248 k( 217) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044248 k( 218) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044248 k( 219) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044248 k( 220) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044248 k( 221) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044248 k( 222) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044248 k( 223) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044248 k( 224) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044248 k( 225) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044248 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044248 Dense grid: 300707 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 48693 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 252, 84) NL pseudopotentials 0.52 Mb ( 126, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6267) G-vector shells 0.01 Mb ( 1154) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 252, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) The potential is recalculated from file : ./VCu3S4.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 51.1 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.8 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.3 secs Computing kpt #: 5 total cpu time spent up to now is 91.8 secs Computing kpt #: 6 total cpu time spent up to now is 100.2 secs Computing kpt #: 7 total cpu time spent up to now is 108.0 secs Computing kpt #: 8 total cpu time spent up to now is 114.9 secs Computing kpt #: 9 total cpu time spent up to now is 120.7 secs Computing kpt #: 10 total cpu time spent up to now is 126.5 secs Computing kpt #: 11 total cpu time spent up to now is 131.6 secs Computing kpt #: 12 total cpu time spent up to now is 137.0 secs Computing kpt #: 13 total cpu time spent up to now is 142.5 secs Computing kpt #: 14 total cpu time spent up to now is 147.7 secs Computing kpt #: 15 total cpu time spent up to now is 153.4 secs Computing kpt #: 16 total cpu time spent up to now is 159.1 secs Computing kpt #: 17 total cpu time spent up to now is 164.2 secs Computing kpt #: 18 total cpu time spent up to now is 169.5 secs Computing kpt #: 19 total cpu time spent up to now is 174.7 secs Computing kpt #: 20 total cpu time spent up to now is 179.9 secs Computing kpt #: 21 total cpu time spent up to now is 185.0 secs Computing kpt #: 22 total cpu time spent up to now is 190.2 secs Computing kpt #: 23 total cpu time spent up to now is 195.4 secs Computing kpt #: 24 total cpu time spent up to now is 201.4 secs Computing kpt #: 25 total cpu time spent up to now is 206.9 secs Computing kpt #: 26 total cpu time spent up to now is 212.0 secs Computing kpt #: 27 total cpu time spent up to now is 217.1 secs Computing kpt #: 28 total cpu time spent up to now is 222.3 secs Computing kpt #: 29 total cpu time spent up to now is 227.4 secs Computing kpt #: 30 total cpu time spent up to now is 232.6 secs Computing kpt #: 31 total cpu time spent up to now is 237.7 secs Computing kpt #: 32 total cpu time spent up to now is 243.0 secs Computing kpt #: 33 total cpu time spent up to now is 248.2 secs Computing kpt #: 34 total cpu time spent up to now is 253.6 secs Computing kpt #: 35 total cpu time spent up to now is 259.0 secs Computing kpt #: 36 total cpu time spent up to now is 264.6 secs Computing kpt #: 37 total cpu time spent up to now is 270.5 secs Computing kpt #: 38 total cpu time spent up to now is 276.0 secs Computing kpt #: 39 total cpu time spent up to now is 282.0 secs Computing kpt #: 40 total cpu time spent up to now is 287.9 secs Computing kpt #: 41 total cpu time spent up to now is 293.9 secs Computing kpt #: 42 total cpu time spent up to now is 300.2 secs Computing kpt #: 43 total cpu time spent up to now is 306.8 secs Computing kpt #: 44 total cpu time spent up to now is 313.8 secs Computing kpt #: 45 total cpu time spent up to now is 321.6 secs Computing kpt #: 46 total cpu time spent up to now is 329.9 secs Computing kpt #: 47 total cpu time spent up to now is 338.9 secs Computing kpt #: 48 total cpu time spent up to now is 346.5 secs Computing kpt #: 49 total cpu time spent up to now is 353.1 secs Computing kpt #: 50 total cpu time spent up to now is 359.5 secs Computing kpt #: 51 total cpu time spent up to now is 365.8 secs Computing kpt #: 52 total cpu time spent up to now is 371.6 secs Computing kpt #: 53 total cpu time spent up to now is 377.4 secs Computing kpt #: 54 total cpu time spent up to now is 383.1 secs Computing kpt #: 55 total cpu time spent up to now is 388.7 secs Computing kpt #: 56 total cpu time spent up to now is 394.5 secs Computing kpt #: 57 total cpu time spent up to now is 400.3 secs Computing kpt #: 58 total cpu time spent up to now is 406.1 secs Computing kpt #: 59 total cpu time spent up to now is 411.8 secs Computing kpt #: 60 total cpu time spent up to now is 416.9 secs Computing kpt #: 61 total cpu time spent up to now is 422.2 secs Computing kpt #: 62 total cpu time spent up to now is 427.8 secs Computing kpt #: 63 total cpu time spent up to now is 433.6 secs Computing kpt #: 64 total cpu time spent up to now is 439.3 secs Computing kpt #: 65 total cpu time spent up to now is 445.0 secs Computing kpt #: 66 total cpu time spent up to now is 450.8 secs Computing kpt #: 67 total cpu time spent up to now is 456.6 secs Computing kpt #: 68 total cpu time spent up to now is 462.5 secs Computing kpt #: 69 total cpu time spent up to now is 468.7 secs Computing kpt #: 70 total cpu time spent up to now is 475.1 secs Computing kpt #: 71 total cpu time spent up to now is 481.6 secs Computing kpt #: 72 total cpu time spent up to now is 492.1 secs Computing kpt #: 73 total cpu time spent up to now is 503.8 secs Computing kpt #: 74 total cpu time spent up to now is 512.4 secs Computing kpt #: 75 total cpu time spent up to now is 520.2 secs Computing kpt #: 76 total cpu time spent up to now is 528.6 secs Computing kpt #: 77 total cpu time spent up to now is 536.7 secs Computing kpt #: 78 total cpu time spent up to now is 544.7 secs Computing kpt #: 79 total cpu time spent up to now is 553.0 secs Computing kpt #: 80 total cpu time spent up to now is 561.2 secs Computing kpt #: 81 total cpu time spent up to now is 569.2 secs Computing kpt #: 82 total cpu time spent up to now is 577.1 secs Computing kpt #: 83 total cpu time spent up to now is 584.7 secs Computing kpt #: 84 total cpu time spent up to now is 592.4 secs Computing kpt #: 85 total cpu time spent up to now is 600.1 secs Computing kpt #: 86 total cpu time spent up to now is 607.6 secs Computing kpt #: 87 total cpu time spent up to now is 616.0 secs Computing kpt #: 88 total cpu time spent up to now is 624.9 secs Computing kpt #: 89 total cpu time spent up to now is 634.2 secs Computing kpt #: 90 total cpu time spent up to now is 644.3 secs Computing kpt #: 91 total cpu time spent up to now is 654.6 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 665.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.7 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.7 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.7 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 709.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.4 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 742.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 752.8 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 806.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 816.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 838.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.7 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 891.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 901.9 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 912.6 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.3 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 934.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 956.0 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 966.8 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 977.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 988.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1021.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.0 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.8 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1053.7 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1075.4 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1086.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1097.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.9 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1131.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1142.9 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1153.8 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.7 secs Computing kpt #: 140 total cpu time spent up to now is 1186.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1197.3 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1208.5 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1219.4 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1230.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1241.5 secs Computing kpt #: 146 total cpu time spent up to now is 1250.8 secs Computing kpt #: 147 total cpu time spent up to now is 1261.3 secs Computing kpt #: 148 total cpu time spent up to now is 1269.3 secs Computing kpt #: 149 total cpu time spent up to now is 1277.4 secs Computing kpt #: 150 total cpu time spent up to now is 1284.2 secs Computing kpt #: 151 total cpu time spent up to now is 1291.0 secs Computing kpt #: 152 total cpu time spent up to now is 1297.8 secs Computing kpt #: 153 total cpu time spent up to now is 1304.5 secs Computing kpt #: 154 total cpu time spent up to now is 1310.8 secs Computing kpt #: 155 total cpu time spent up to now is 1317.0 secs Computing kpt #: 156 total cpu time spent up to now is 1323.8 secs Computing kpt #: 157 total cpu time spent up to now is 1330.4 secs Computing kpt #: 158 total cpu time spent up to now is 1337.0 secs Computing kpt #: 159 total cpu time spent up to now is 1343.5 secs Computing kpt #: 160 total cpu time spent up to now is 1350.0 secs Computing kpt #: 161 total cpu time spent up to now is 1356.5 secs Computing kpt #: 162 total cpu time spent up to now is 1362.5 secs Computing kpt #: 163 total cpu time spent up to now is 1368.4 secs Computing kpt #: 164 total cpu time spent up to now is 1373.8 secs Computing kpt #: 165 total cpu time spent up to now is 1379.2 secs Computing kpt #: 166 total cpu time spent up to now is 1384.6 secs Computing kpt #: 167 total cpu time spent up to now is 1390.0 secs Computing kpt #: 168 total cpu time spent up to now is 1395.3 secs Computing kpt #: 169 total cpu time spent up to now is 1401.2 secs Computing kpt #: 170 total cpu time spent up to now is 1408.0 secs Computing kpt #: 171 total cpu time spent up to now is 1413.4 secs Computing kpt #: 172 total cpu time spent up to now is 1418.6 secs Computing kpt #: 173 total cpu time spent up to now is 1423.8 secs Computing kpt #: 174 total cpu time spent up to now is 1429.1 secs Computing kpt #: 175 total cpu time spent up to now is 1434.5 secs Computing kpt #: 176 total cpu time spent up to now is 1440.2 secs Computing kpt #: 177 total cpu time spent up to now is 1445.9 secs Computing kpt #: 178 total cpu time spent up to now is 1451.7 secs Computing kpt #: 179 total cpu time spent up to now is 1458.2 secs Computing kpt #: 180 total cpu time spent up to now is 1465.3 secs Computing kpt #: 181 total cpu time spent up to now is 1474.1 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1485.3 secs Computing kpt #: 183 total cpu time spent up to now is 1493.4 secs Computing kpt #: 184 total cpu time spent up to now is 1500.8 secs Computing kpt #: 185 total cpu time spent up to now is 1507.3 secs Computing kpt #: 186 total cpu time spent up to now is 1513.5 secs Computing kpt #: 187 total cpu time spent up to now is 1519.6 secs Computing kpt #: 188 total cpu time spent up to now is 1525.5 secs Computing kpt #: 189 total cpu time spent up to now is 1531.1 secs Computing kpt #: 190 total cpu time spent up to now is 1536.7 secs Computing kpt #: 191 total cpu time spent up to now is 1542.1 secs Computing kpt #: 192 total cpu time spent up to now is 1547.4 secs Computing kpt #: 193 total cpu time spent up to now is 1552.9 secs Computing kpt #: 194 total cpu time spent up to now is 1558.1 secs Computing kpt #: 195 total cpu time spent up to now is 1563.3 secs Computing kpt #: 196 total cpu time spent up to now is 1568.4 secs Computing kpt #: 197 total cpu time spent up to now is 1573.6 secs Computing kpt #: 198 total cpu time spent up to now is 1578.9 secs Computing kpt #: 199 total cpu time spent up to now is 1584.2 secs Computing kpt #: 200 total cpu time spent up to now is 1589.6 secs Computing kpt #: 201 total cpu time spent up to now is 1595.0 secs Computing kpt #: 202 total cpu time spent up to now is 1600.6 secs Computing kpt #: 203 total cpu time spent up to now is 1606.2 secs Computing kpt #: 204 total cpu time spent up to now is 1611.9 secs Computing kpt #: 205 total cpu time spent up to now is 1617.6 secs Computing kpt #: 206 total cpu time spent up to now is 1623.7 secs Computing kpt #: 207 total cpu time spent up to now is 1629.4 secs Computing kpt #: 208 total cpu time spent up to now is 1635.1 secs Computing kpt #: 209 total cpu time spent up to now is 1640.9 secs Computing kpt #: 210 total cpu time spent up to now is 1647.0 secs Computing kpt #: 211 total cpu time spent up to now is 1653.2 secs Computing kpt #: 212 total cpu time spent up to now is 1659.5 secs Computing kpt #: 213 total cpu time spent up to now is 1665.8 secs Computing kpt #: 214 total cpu time spent up to now is 1672.2 secs Computing kpt #: 215 total cpu time spent up to now is 1678.6 secs Computing kpt #: 216 total cpu time spent up to now is 1685.1 secs Computing kpt #: 217 total cpu time spent up to now is 1691.6 secs Computing kpt #: 218 total cpu time spent up to now is 1698.0 secs Computing kpt #: 219 total cpu time spent up to now is 1706.3 secs Computing kpt #: 220 total cpu time spent up to now is 1713.0 secs Computing kpt #: 221 total cpu time spent up to now is 1719.5 secs Computing kpt #: 222 total cpu time spent up to now is 1726.2 secs Computing kpt #: 223 total cpu time spent up to now is 1733.0 secs Computing kpt #: 224 total cpu time spent up to now is 1739.7 secs Computing kpt #: 225 total cpu time spent up to now is 1746.6 secs Computing kpt #: 226 total cpu time spent up to now is 1756.1 secs ethr = 1.43E-11, avg # of iterations = 67.4 total cpu time spent up to now is 1756.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7399 -7.7399 -6.5726 -6.5726 -6.5675 -6.5675 -6.5675 -6.5675 0.2158 0.2158 0.2158 0.2158 0.9870 0.9870 1.7562 1.7562 1.7562 1.7562 1.7895 1.7895 2.3542 2.3542 2.3952 2.3952 2.3952 2.3952 3.0397 3.0397 3.0397 3.0397 3.0440 3.0440 3.1893 3.1893 3.1893 3.1893 3.6187 3.6187 3.7370 3.7370 3.7370 3.7370 3.8769 3.8769 3.8769 3.8769 3.9494 3.9494 4.4910 4.4910 4.5917 4.5917 4.5917 4.5917 4.7185 4.7185 5.3985 5.3985 5.3985 5.3985 5.4811 5.4811 7.1725 7.1725 7.1725 7.1725 7.8502 7.8502 7.8823 7.8823 7.8823 7.8823 8.6243 8.6243 11.0515 11.0520 k = 0.0000 0.0172-0.0000 ( 6043 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7392 -7.7392 -6.5729 -6.5729 -6.5680 -6.5680 -6.5674 -6.5674 0.2164 0.2164 0.2169 0.2169 0.9879 0.9879 1.7552 1.7552 1.7568 1.7568 1.7893 1.7893 2.3536 2.3536 2.3941 2.3941 2.3950 2.3950 3.0335 3.0335 3.0396 3.0396 3.0428 3.0428 3.1889 3.1889 3.1965 3.1965 3.6187 3.6187 3.7326 3.7326 3.7412 3.7412 3.8743 3.8743 3.8798 3.8798 3.9492 3.9492 4.4908 4.4908 4.5884 4.5884 4.5943 4.5943 4.7183 4.7183 5.3972 5.3972 5.3989 5.3989 5.4806 5.4806 7.1726 7.1726 7.1730 7.1730 7.8490 7.8490 7.8797 7.8797 7.8823 7.8823 8.6319 8.6319 11.0515 11.0551 k = 0.0000 0.0345-0.0000 ( 6051 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7374 -7.7374 -6.5742 -6.5742 -6.5691 -6.5691 -6.5674 -6.5674 0.2184 0.2184 0.2203 0.2203 0.9902 0.9902 1.7531 1.7531 1.7577 1.7577 1.7888 1.7888 2.3517 2.3517 2.3912 2.3912 2.3942 2.3942 3.0153 3.0153 3.0388 3.0388 3.0417 3.0417 3.1898 3.1898 3.2128 3.2128 3.6186 3.6186 3.7281 3.7281 3.7454 3.7454 3.8714 3.8714 3.8835 3.8835 3.9486 3.9486 4.4903 4.4903 4.5840 4.5840 4.5964 4.5964 4.7175 4.7175 5.3935 5.3935 5.4001 5.4001 5.4792 5.4792 7.1731 7.1731 7.1744 7.1744 7.8443 7.8443 7.8738 7.8738 7.8825 7.8825 8.6540 8.6540 11.0445 11.0445 k = 0.0000 0.0517-0.0000 ( 6075 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7343 -7.7343 -6.5775 -6.5775 -6.5699 -6.5699 -6.5674 -6.5674 0.2217 0.2217 0.2258 0.2258 0.9942 0.9942 1.7491 1.7491 1.7591 1.7591 1.7885 1.7885 2.3483 2.3483 2.3865 2.3865 2.3929 2.3929 2.9899 2.9899 3.0375 3.0375 3.0402 3.0402 3.1915 3.1915 3.2347 3.2347 3.6183 3.6183 3.7235 3.7235 3.7494 3.7494 3.8677 3.8677 3.8883 3.8883 3.9479 3.9479 4.4892 4.4892 4.5785 4.5785 4.5983 4.5983 4.7164 4.7164 5.3870 5.3870 5.4019 5.4019 5.4773 5.4773 7.1739 7.1739 7.1767 7.1767 7.8334 7.8334 7.8685 7.8685 7.8827 7.8827 8.6893 8.6893 11.0349 11.0349 k = 0.0000 0.0690-0.0000 ( 6083 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7299 -7.7299 -6.5829 -6.5829 -6.5702 -6.5702 -6.5673 -6.5673 0.2263 0.2263 0.2336 0.2336 0.9999 0.9999 1.7429 1.7429 1.7610 1.7610 1.7887 1.7887 2.3431 2.3431 2.3807 2.3807 2.3912 2.3912 2.9603 2.9603 3.0358 3.0358 3.0383 3.0383 3.1938 3.1938 3.2593 3.2593 3.6179 3.6179 3.7189 3.7189 3.7535 3.7535 3.8629 3.8629 3.8940 3.8940 3.9472 3.9472 4.4874 4.4874 4.5718 4.5718 4.6002 4.6002 4.7148 4.7148 5.3774 5.3774 5.4045 5.4045 5.4754 5.4754 7.1748 7.1748 7.1798 7.1798 7.8160 7.8160 7.8659 7.8659 7.8830 7.8830 8.7360 8.7360 11.0226 11.0226 k = 0.0000 0.0862-0.0000 ( 6095 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7244 -7.7244 -6.5901 -6.5901 -6.5702 -6.5702 -6.5672 -6.5672 0.2322 0.2322 0.2435 0.2435 1.0070 1.0070 1.7343 1.7343 1.7634 1.7634 1.7897 1.7897 2.3353 2.3353 2.3744 2.3744 2.3890 2.3890 2.9281 2.9281 3.0335 3.0335 3.0358 3.0358 3.1968 3.1968 3.2852 3.2852 3.6172 3.6172 3.7146 3.7146 3.7578 3.7578 3.8569 3.8569 3.9005 3.9005 3.9470 3.9470 4.4848 4.4848 4.5639 4.5639 4.6025 4.6025 4.7128 4.7128 5.3644 5.3644 5.4076 5.4076 5.4739 5.4739 7.1756 7.1756 7.1838 7.1838 7.7947 7.7947 7.8651 7.8651 7.8833 7.8833 8.7921 8.7921 11.0086 11.0086 k = 0.0000 0.1034-0.0000 ( 6099 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.7176 -7.7176 -6.5989 -6.5989 -6.5702 -6.5702 -6.5671 -6.5671 0.2392 0.2392 0.2556 0.2556 1.0158 1.0158 1.7232 1.7232 1.7664 1.7664 1.7915 1.7915 2.3246 2.3246 2.3682 2.3682 2.3864 2.3864 2.8938 2.8938 3.0308 3.0308 3.0329 3.0329 3.2003 3.2003 3.3116 3.3116 3.6164 3.6164 3.7106 3.7106 3.7622 3.7622 3.8498 3.8498 3.9071 3.9071 3.9477 3.9477 4.4811 4.4811 4.5549 4.5549 4.6052 4.6052 4.7105 4.7105 5.3482 5.3482 5.4113 5.4113 5.4729 5.4729 7.1762 7.1762 7.1885 7.1885 7.7719 7.7719 7.8649 7.8649 7.8836 7.8836 8.8561 8.8561 10.9939 10.9939 k = 0.0000 0.1207-0.0000 ( 6095 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.7097 -7.7097 -6.6093 -6.6093 -6.5700 -6.5700 -6.5670 -6.5670 0.2475 0.2475 0.2698 0.2698 1.0262 1.0262 1.7098 1.7098 1.7698 1.7698 1.7940 1.7940 2.3110 2.3110 2.3624 2.3624 2.3833 2.3833 2.8581 2.8581 3.0278 3.0278 3.0295 3.0295 3.2044 3.2044 3.3383 3.3383 3.6152 3.6152 3.7071 3.7071 3.7668 3.7668 3.8415 3.8415 3.9133 3.9133 3.9498 3.9498 4.4763 4.4763 4.5449 4.5449 4.6086 4.6086 4.7080 4.7080 5.3289 5.3289 5.4154 5.4154 5.4726 5.4726 7.1764 7.1764 7.1939 7.1939 7.7492 7.7492 7.8652 7.8652 7.8838 7.8838 8.9265 8.9265 10.9790 10.9790 k = 0.0000 0.1379-0.0000 ( 6087 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.7007 -7.7007 -6.6211 -6.6211 -6.5699 -6.5699 -6.5668 -6.5668 0.2569 0.2569 0.2860 0.2860 1.0381 1.0381 1.6941 1.6941 1.7737 1.7737 1.7973 1.7973 2.2945 2.2945 2.3569 2.3569 2.3799 2.3799 2.8209 2.8209 3.0243 3.0243 3.0258 3.0258 3.2089 3.2089 3.3649 3.3649 3.6137 3.6137 3.7043 3.7043 3.7716 3.7716 3.8324 3.8324 3.9185 3.9185 3.9537 3.9537 4.4703 4.4703 4.5341 4.5341 4.6126 4.6126 4.7051 4.7051 5.3070 5.3070 5.4198 5.4198 5.4730 5.4730 7.1759 7.1759 7.1998 7.1998 7.7276 7.7276 7.8655 7.8655 7.8839 7.8839 9.0023 9.0023 10.9647 10.9647 k = 0.0000 0.1552-0.0000 ( 6095 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.6905 -7.6905 -6.6342 -6.6342 -6.5697 -6.5697 -6.5667 -6.5667 0.2674 0.2674 0.3042 0.3042 1.0516 1.0516 1.6763 1.6763 1.7780 1.7780 1.8010 1.8010 2.2755 2.2755 2.3516 2.3516 2.3761 2.3761 2.7826 2.7826 3.0205 3.0205 3.0217 3.0217 3.2138 3.2138 3.3913 3.3913 3.6118 3.6118 3.7021 3.7021 3.7763 3.7763 3.8227 3.8227 3.9223 3.9223 3.9595 3.9595 4.4631 4.4631 4.5225 4.5225 4.6172 4.6172 4.7021 4.7021 5.2827 5.2827 5.4245 5.4245 5.4738 5.4738 7.1745 7.1745 7.2063 7.2063 7.7078 7.7078 7.8659 7.8659 7.8838 7.8838 9.0824 9.0824 10.9513 10.9513 k = 0.0000 0.1724-0.0000 ( 6099 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.6793 -7.6793 -6.6487 -6.6487 -6.5694 -6.5694 -6.5665 -6.5665 0.2789 0.2789 0.3243 0.3243 1.0665 1.0665 1.6565 1.6565 1.7827 1.7827 1.8053 1.8053 2.2545 2.2545 2.3464 2.3464 2.3719 2.3719 2.7432 2.7432 3.0164 3.0164 3.0174 3.0174 3.2189 3.2189 3.4173 3.4173 3.6097 3.6097 3.7006 3.7006 3.7804 3.7804 3.8132 3.8132 3.9250 3.9250 3.9669 3.9669 4.4550 4.4550 4.5104 4.5104 4.6222 4.6222 4.6990 4.6990 5.2566 5.2566 5.4293 5.4293 5.4750 5.4750 7.1722 7.1722 7.2131 7.2131 7.6901 7.6901 7.8661 7.8661 7.8835 7.8835 9.1662 9.1662 10.9392 10.9392 k = 0.0000 0.1897-0.0000 ( 6103 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1738 -32.1738 -7.6671 -7.6671 -6.6643 -6.6643 -6.5692 -6.5692 -6.5664 -6.5664 0.2913 0.2913 0.3462 0.3462 1.0830 1.0830 1.6348 1.6348 1.7878 1.7878 1.8101 1.8101 2.2318 2.2318 2.3410 2.3410 2.3674 2.3674 2.7029 2.7029 3.0121 3.0121 3.0128 3.0128 3.2243 3.2243 3.4430 3.4430 3.6074 3.6074 3.6997 3.6997 3.7823 3.7823 3.8057 3.8057 3.9268 3.9268 3.9752 3.9752 4.4459 4.4459 4.4979 4.4979 4.6276 4.6276 4.6958 4.6958 5.2290 5.2290 5.4343 5.4343 5.4766 5.4766 7.1689 7.1689 7.2203 7.2203 7.6749 7.6749 7.8662 7.8662 7.8830 7.8830 9.2528 9.2528 10.9287 10.9287 k = 0.0000 0.2069-0.0000 ( 6103 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1738 -32.1738 -7.6540 -7.6540 -6.6811 -6.6811 -6.5689 -6.5689 -6.5662 -6.5662 0.3046 0.3046 0.3699 0.3699 1.1008 1.1008 1.6113 1.6113 1.7932 1.7932 1.8151 1.8151 2.2078 2.2078 2.3355 2.3355 2.3626 2.3626 2.6617 2.6617 3.0075 3.0075 3.0081 3.0081 3.2299 3.2299 3.4680 3.4680 3.6052 3.6052 3.6995 3.6995 3.7787 3.7787 3.8036 3.8036 3.9283 3.9283 3.9838 3.9838 4.4363 4.4363 4.4851 4.4851 4.6332 4.6332 4.6927 4.6927 5.2003 5.2003 5.4393 5.4393 5.4784 5.4784 7.1645 7.1645 7.2276 7.2276 7.6622 7.6622 7.8661 7.8661 7.8822 7.8822 9.3417 9.3417 10.9198 10.9198 k = 0.0000 0.2241-0.0000 ( 6095 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1738 -32.1738 -7.6400 -7.6400 -6.6988 -6.6988 -6.5686 -6.5686 -6.5660 -6.5660 0.3185 0.3185 0.3953 0.3953 1.1201 1.1201 1.5862 1.5862 1.7988 1.7988 1.8206 1.8206 2.1826 2.1826 2.3299 2.3299 2.3576 2.3576 2.6198 2.6198 3.0028 3.0028 3.0034 3.0034 3.2356 3.2356 3.4920 3.4920 3.6034 3.6034 3.6998 3.6998 3.7702 3.7702 3.8065 3.8065 3.9296 3.9296 3.9923 3.9923 4.4262 4.4262 4.4723 4.4723 4.6390 4.6390 4.6898 4.6898 5.1710 5.1710 5.4442 5.4442 5.4804 5.4804 7.1593 7.1593 7.2351 7.2351 7.6519 7.6519 7.8658 7.8658 7.8811 7.8811 9.4322 9.4322 10.9125 10.9125 k = 0.0000 0.2414-0.0000 ( 6095 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1738 -32.1738 -7.6252 -7.6252 -6.7174 -6.7174 -6.5684 -6.5684 -6.5659 -6.5659 0.3331 0.3331 0.4222 0.4222 1.1407 1.1407 1.5595 1.5595 1.8047 1.8047 1.8262 1.8262 2.1566 2.1566 2.3242 2.3242 2.3524 2.3524 2.5773 2.5773 2.9979 2.9979 2.9986 2.9986 3.2414 3.2414 3.5144 3.5144 3.6028 3.6028 3.7005 3.7005 3.7601 3.7601 3.8113 3.8113 3.9307 3.9307 4.0003 4.0003 4.4158 4.4158 4.4596 4.4596 4.6447 4.6447 4.6871 4.6871 5.1412 5.1412 5.4490 5.4490 5.4825 5.4825 7.1532 7.1532 7.2425 7.2425 7.6438 7.6438 7.8652 7.8652 7.8797 7.8797 9.5238 9.5238 10.9070 10.9070 k = 0.0000 0.2586-0.0000 ( 6091 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1738 -32.1738 -7.6096 -7.6096 -6.7367 -6.7367 -6.5681 -6.5681 -6.5657 -6.5657 0.3481 0.3481 0.4506 0.4506 1.1625 1.1625 1.5314 1.5314 1.8108 1.8108 1.8321 1.8321 2.1301 2.1301 2.3183 2.3183 2.3471 2.3471 2.5344 2.5344 2.9929 2.9929 2.9938 2.9938 3.2472 3.2472 3.5338 3.5338 3.6047 3.6047 3.7016 3.7016 3.7497 3.7497 3.8166 3.8166 3.9318 3.9318 4.0075 4.0075 4.4053 4.4053 4.4471 4.4471 4.6504 4.6504 4.6847 4.6847 5.1113 5.1113 5.4536 5.4536 5.4848 5.4848 7.1464 7.1464 7.2499 7.2499 7.6378 7.6378 7.8644 7.8644 7.8781 7.8781 9.6159 9.6159 10.9031 10.9031 k = 0.0000 0.2759-0.0000 ( 6107 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1741 -32.1741 -32.1738 -32.1738 -7.5935 -7.5935 -6.7566 -6.7566 -6.5678 -6.5678 -6.5655 -6.5655 0.3634 0.3634 0.4803 0.4803 1.1855 1.1855 1.5019 1.5019 1.8169 1.8169 1.8380 1.8380 2.1034 2.1034 2.3122 2.3122 2.3416 2.3416 2.4914 2.4914 2.9880 2.9880 2.9890 2.9890 3.2529 3.2529 3.5480 3.5480 3.6110 3.6110 3.7029 3.7029 3.7396 3.7396 3.8222 3.8222 3.9329 3.9329 4.0137 4.0137 4.3949 4.3949 4.4349 4.4349 4.6560 4.6560 4.6829 4.6829 5.0815 5.0815 5.4580 5.4580 5.4870 5.4870 7.1392 7.1392 7.2571 7.2571 7.6336 7.6336 7.8633 7.8633 7.8762 7.8762 9.7078 9.7078 10.9006 10.9006 k = 0.0000 0.2931-0.0000 ( 6115 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1741 -32.1741 -32.1738 -32.1738 -7.5769 -7.5769 -6.7768 -6.7768 -6.5675 -6.5675 -6.5654 -6.5654 0.3789 0.3789 0.5112 0.5112 1.2094 1.2094 1.4714 1.4714 1.8231 1.8231 1.8440 1.8440 2.0768 2.0768 2.3060 2.3060 2.3361 2.3361 2.4484 2.4484 2.9832 2.9832 2.9843 2.9843 3.2585 3.2585 3.5557 3.5557 3.6233 3.6233 3.7045 3.7045 3.7302 3.7302 3.8276 3.8276 3.9341 3.9341 4.0186 4.0186 4.3847 4.3847 4.4231 4.4231 4.6615 4.6615 4.6816 4.6816 5.0521 5.0521 5.4621 5.4621 5.4893 5.4893 7.1318 7.1318 7.2640 7.2640 7.6308 7.6308 7.8621 7.8621 7.8741 7.8741 9.7989 9.7989 10.8993 10.8993 k = 0.0000 0.3103-0.0000 ( 6115 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1741 -32.1741 -32.1738 -32.1738 -7.5600 -7.5600 -6.7973 -6.7973 -6.5672 -6.5672 -6.5652 -6.5652 0.3943 0.3943 0.5432 0.5432 1.2342 1.2342 1.4399 1.4399 1.8293 1.8293 1.8500 1.8500 2.0506 2.0506 2.2995 2.2995 2.3307 2.3307 2.4060 2.4060 2.9785 2.9785 2.9798 2.9798 3.2641 3.2641 3.5582 3.5582 3.6395 3.6395 3.7063 3.7063 3.7220 3.7220 3.8330 3.8330 3.9352 3.9352 4.0222 4.0222 4.3749 4.3749 4.4119 4.4119 4.6668 4.6668 4.6810 4.6810 5.0233 5.0233 5.4659 5.4659 5.4916 5.4916 7.1244 7.1244 7.2706 7.2706 7.6292 7.6292 7.8607 7.8607 7.8718 7.8718 9.8885 9.8885 10.8991 10.8991 k = 0.0000 0.3276-0.0000 ( 6111 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1741 -32.1741 -32.1738 -32.1738 -7.5430 -7.5430 -6.8178 -6.8178 -6.5669 -6.5669 -6.5651 -6.5651 0.4095 0.4095 0.5760 0.5760 1.2595 1.2595 1.4076 1.4076 1.8354 1.8354 1.8558 1.8558 2.0251 2.0251 2.2923 2.2923 2.3254 2.3254 2.3650 2.3650 2.9741 2.9741 2.9754 2.9754 3.2694 3.2694 3.5579 3.5579 3.6564 3.6564 3.7081 3.7081 3.7162 3.7162 3.8380 3.8380 3.9364 3.9364 4.0243 4.0243 4.3657 4.3657 4.4014 4.4014 4.6722 4.6722 4.6812 4.6812 4.9951 4.9951 5.4694 5.4694 5.4939 5.4939 7.1171 7.1171 7.2769 7.2769 7.6285 7.6285 7.8592 7.8592 7.8695 7.8695 9.9759 9.9759 10.8995 10.8995 k = 0.0000 0.3448-0.0000 ( 6110 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.5259 -7.5259 -6.8380 -6.8380 -6.5667 -6.5667 -6.5650 -6.5650 0.4243 0.4243 0.6094 0.6094 1.2850 1.2850 1.3751 1.3751 1.8412 1.8412 1.8615 1.8615 2.0007 2.0007 2.2824 2.2824 2.3202 2.3202 2.3277 2.3277 2.9699 2.9699 2.9713 2.9713 3.2744 3.2744 3.5562 3.5562 3.6699 3.6699 3.7083 3.7083 3.7171 3.7171 3.8428 3.8428 3.9375 3.9375 4.0249 4.0249 4.3571 4.3571 4.3915 4.3915 4.6777 4.6777 4.6820 4.6820 4.9678 4.9678 5.4725 5.4725 5.4961 5.4961 7.1101 7.1101 7.2827 7.2827 7.6285 7.6285 7.8576 7.8576 7.8671 7.8671 10.0604 10.0604 10.9003 10.9003 k = 0.0000 0.3621-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.5092 -7.5092 -6.8578 -6.8578 -6.5664 -6.5664 -6.5648 -6.5648 0.4384 0.4384 0.6433 0.6433 1.3085 1.3085 1.3441 1.3441 1.8468 1.8468 1.8669 1.8669 1.9777 1.9777 2.2630 2.2630 2.3015 2.3015 2.3154 2.3154 2.9661 2.9661 2.9674 2.9674 3.2792 3.2792 3.5540 3.5540 3.6758 3.6758 3.7082 3.7082 3.7267 3.7267 3.8471 3.8471 3.9386 3.9386 4.0239 4.0239 4.3492 4.3492 4.3825 4.3825 4.6832 4.6832 4.6837 4.6837 4.9414 4.9414 5.4753 5.4753 5.4982 5.4982 7.1035 7.1035 7.2880 7.2880 7.6290 7.6290 7.8560 7.8560 7.8647 7.8647 10.1410 10.1410 10.9011 10.9011 k = 0.0000 0.3793-0.0000 ( 6086 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.4930 -7.4930 -6.8767 -6.8767 -6.5662 -6.5662 -6.5647 -6.5647 0.4516 0.4516 0.6772 0.6772 1.3029 1.3029 1.3419 1.3419 1.8521 1.8521 1.8719 1.8719 1.9564 1.9564 2.2316 2.2316 2.2893 2.2893 2.3108 2.3108 2.9626 2.9626 2.9639 2.9639 3.2836 3.2836 3.5516 3.5516 3.6753 3.6753 3.7092 3.7092 3.7421 3.7421 3.8509 3.8509 3.9397 3.9397 4.0214 4.0214 4.3421 4.3421 4.3743 4.3743 4.6850 4.6850 4.6901 4.6901 4.9160 4.9160 5.4778 5.4778 5.5002 5.5002 7.0975 7.0975 7.2928 7.2928 7.6298 7.6298 7.8545 7.8545 7.8624 7.8624 10.2168 10.2168 10.9017 10.9017 k = 0.0000 0.3966-0.0000 ( 6086 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.4777 -7.4777 -6.8944 -6.8944 -6.5659 -6.5659 -6.5647 -6.5647 0.4637 0.4637 0.7108 0.7108 1.2718 1.2718 1.3647 1.3647 1.8569 1.8569 1.8765 1.8765 1.9371 1.9371 2.1975 2.1975 2.2826 2.2826 2.3067 2.3067 2.9595 2.9595 2.9607 2.9607 3.2876 3.2876 3.5491 3.5491 3.6722 3.6722 3.7104 3.7104 3.7598 3.7598 3.8540 3.8540 3.9406 3.9406 4.0176 4.0176 4.3358 4.3358 4.3671 4.3671 4.6868 4.6868 4.6976 4.6976 4.8916 4.8916 5.4799 5.4799 5.5020 5.5020 7.0921 7.0921 7.2970 7.2970 7.6308 7.6308 7.8530 7.8530 7.8602 7.8602 10.2868 10.2868 10.9016 10.9016 k = 0.0000 0.4138-0.0000 ( 6074 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.4636 -7.4636 -6.9106 -6.9106 -6.5657 -6.5657 -6.5646 -6.5646 0.4744 0.4744 0.7435 0.7435 1.2399 1.2399 1.3876 1.3876 1.8611 1.8611 1.8806 1.8806 1.9202 1.9202 2.1652 2.1652 2.2778 2.2778 2.3030 2.3030 2.9569 2.9569 2.9579 2.9579 3.2910 3.2910 3.5468 3.5468 3.6686 3.6686 3.7115 3.7115 3.7777 3.7777 3.8563 3.8563 3.9415 3.9415 4.0128 4.0128 4.3305 4.3305 4.3608 4.3608 4.6886 4.6886 4.7063 4.7063 4.8684 4.8684 5.4817 5.4817 5.5037 5.5037 7.0875 7.0875 7.3007 7.3007 7.6317 7.6317 7.8517 7.8517 7.8582 7.8582 10.3498 10.3498 10.9008 10.9008 k = 0.0000 0.4310-0.0000 ( 6090 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1738 -32.1738 -7.4512 -7.4512 -6.9247 -6.9247 -6.5656 -6.5656 -6.5646 -6.5646 0.4835 0.4835 0.7744 0.7744 1.2094 1.2094 1.4086 1.4086 1.8647 1.8647 1.8840 1.8840 1.9060 1.9060 2.1362 2.1362 2.2740 2.2740 2.2998 2.2998 2.9547 2.9547 2.9555 2.9555 3.2939 3.2939 3.5448 3.5448 3.6654 3.6654 3.7123 3.7123 3.7948 3.7948 3.8576 3.8576 3.9422 3.9422 4.0074 4.0074 4.3260 4.3260 4.3555 4.3555 4.6901 4.6901 4.7163 4.7163 4.8464 4.8464 5.4831 5.4831 5.5050 5.5050 7.0837 7.0837 7.3037 7.3037 7.6327 7.6327 7.8506 7.8506 7.8565 7.8565 10.4045 10.4045 10.8992 10.8992 k = 0.0000 0.4483-0.0000 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4409 -7.4409 -6.9364 -6.9364 -6.5654 -6.5654 -6.5645 -6.5645 0.4908 0.4908 0.8023 0.8023 1.1818 1.1818 1.4264 1.4264 1.8676 1.8676 1.8867 1.8867 1.8947 1.8947 2.1120 2.1120 2.2711 2.2711 2.2973 2.2973 2.9530 2.9530 2.9536 2.9536 3.2962 3.2962 3.5431 3.5431 3.6627 3.6627 3.7130 3.7130 3.8103 3.8103 3.8578 3.8578 3.9428 3.9428 4.0019 4.0019 4.3224 4.3224 4.3513 4.3513 4.6914 4.6914 4.7277 4.7277 4.8255 4.8255 5.4842 5.4842 5.5061 5.5061 7.0806 7.0806 7.3060 7.3060 7.6335 7.6335 7.8497 7.8497 7.8551 7.8551 10.4495 10.4495 10.8970 10.8970 k = 0.0000 0.4655-0.0000 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4332 -7.4332 -6.9451 -6.9451 -6.5653 -6.5653 -6.5645 -6.5645 0.4961 0.4961 0.8254 0.8254 1.1590 1.1590 1.4402 1.4402 1.8696 1.8696 1.8863 1.8863 1.8889 1.8889 2.0936 2.0936 2.2691 2.2691 2.2955 2.2955 2.9518 2.9518 2.9522 2.9522 3.2979 3.2979 3.5419 3.5419 3.6607 3.6607 3.7135 3.7135 3.8237 3.8237 3.8566 3.8566 3.9433 3.9433 3.9972 3.9972 4.3199 4.3199 4.3483 4.3483 4.6924 4.6924 4.7406 4.7406 4.8059 4.8059 5.4850 5.4850 5.5069 5.5069 7.0784 7.0784 7.3077 7.3077 7.6341 7.6341 7.8491 7.8491 7.8540 7.8540 10.4832 10.4832 10.8946 10.8946 k = 0.0000 0.4828-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4284 -7.4284 -6.9505 -6.9505 -6.5652 -6.5652 -6.5645 -6.5645 0.4994 0.4994 0.8410 0.8410 1.1435 1.1435 1.4489 1.4489 1.8708 1.8708 1.8815 1.8815 1.8900 1.8900 2.0820 2.0820 2.2678 2.2678 2.2944 2.2944 2.9511 2.9511 2.9513 2.9513 3.2989 3.2989 3.5411 3.5411 3.6595 3.6595 3.7138 3.7138 3.8340 3.8340 3.8540 3.8540 3.9436 3.9436 3.9939 3.9939 4.3184 4.3184 4.3465 4.3465 4.6929 4.6929 4.7548 4.7548 4.7876 4.7876 5.4854 5.4854 5.5073 5.5073 7.0771 7.0771 7.3087 7.3087 7.6345 7.6345 7.8487 7.8487 7.8534 7.8534 10.5042 10.5042 10.8928 10.8928 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4268 -7.4268 -6.9523 -6.9523 -6.5652 -6.5652 -6.5645 -6.5645 0.5005 0.5005 0.8465 0.8465 1.1379 1.1379 1.4519 1.4519 1.8711 1.8711 1.8800 1.8800 1.8903 1.8903 2.0781 2.0781 2.2674 2.2674 2.2940 2.2940 2.9509 2.9509 2.9510 2.9510 3.2992 3.2992 3.5408 3.5408 3.6590 3.6590 3.7138 3.7138 3.8387 3.8387 3.8520 3.8520 3.9437 3.9437 3.9927 3.9927 4.3178 4.3178 4.3458 4.3458 4.6931 4.6931 4.7698 4.7698 4.7712 4.7712 5.4855 5.4855 5.5075 5.5075 7.0767 7.0767 7.3091 7.3091 7.6346 7.6346 7.8485 7.8485 7.8532 7.8532 10.5114 10.5114 10.8921 10.8921 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4268 -7.4268 -6.9523 -6.9523 -6.5652 -6.5652 -6.5645 -6.5645 0.5005 0.5005 0.8465 0.8465 1.1379 1.1379 1.4519 1.4519 1.8711 1.8711 1.8800 1.8800 1.8903 1.8903 2.0781 2.0781 2.2674 2.2674 2.2940 2.2940 2.9509 2.9509 2.9510 2.9510 3.2992 3.2992 3.5408 3.5408 3.6590 3.6590 3.7138 3.7138 3.8387 3.8387 3.8520 3.8520 3.9437 3.9437 3.9927 3.9927 4.3178 4.3178 4.3458 4.3458 4.6931 4.6931 4.7698 4.7698 4.7712 4.7712 5.4855 5.4855 5.5075 5.5075 7.0767 7.0767 7.3091 7.3091 7.6346 7.6346 7.8485 7.8485 7.8532 7.8532 10.5114 10.5114 10.8921 10.8921 k = 0.0172 0.5000-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4263 -7.4262 -6.9521 -6.9521 -6.5657 -6.5656 -6.5649 -6.5648 0.5008 0.5014 0.8465 0.8467 1.1375 1.1380 1.4519 1.4525 1.8692 1.8724 1.8785 1.8808 1.8902 1.8902 2.0784 2.0789 2.2669 2.2671 2.2934 2.2938 2.9485 2.9485 2.9499 2.9504 3.3004 3.3004 3.5391 3.5425 3.6557 3.6623 3.7013 3.7275 3.8353 3.8385 3.8494 3.8580 3.9362 3.9544 3.9894 3.9969 4.3107 4.3206 4.3396 4.3510 4.6913 4.7016 4.7645 4.7697 4.7708 4.7769 5.4820 5.4878 5.5065 5.5071 7.0770 7.0784 7.3089 7.3095 7.6349 7.6361 7.8479 7.8488 7.8528 7.8537 10.5129 10.5132 10.8940 10.8962 k = 0.0345 0.5000-0.0000 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4247 -7.4246 -6.9515 -6.9514 -6.5674 -6.5671 -6.5656 -6.5655 0.5023 0.5035 0.8464 0.8469 1.1368 1.1378 1.4524 1.4537 1.8667 1.8729 1.8767 1.8808 1.8896 1.8899 2.0799 2.0808 2.2655 2.2658 2.2920 2.2930 2.9428 2.9429 2.9456 2.9466 3.3038 3.3038 3.5373 3.5440 3.6526 3.6650 3.6905 3.7418 3.8305 3.8357 3.8471 3.8670 3.9321 3.9672 3.9868 4.0024 4.2969 4.3210 4.3357 4.3520 4.6970 4.7142 4.7598 4.7672 4.7695 4.7856 5.4770 5.4887 5.5042 5.5052 7.0794 7.0822 7.3089 7.3102 7.6370 7.6392 7.8462 7.8473 7.8535 7.8559 10.5176 10.5182 10.9020 10.9063 k = 0.0517 0.5000-0.0000 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4221 -7.4219 -6.9504 -6.9504 -6.5702 -6.5700 -6.5666 -6.5665 0.5050 0.5068 0.8464 0.8472 1.1356 1.1371 1.4535 1.4554 1.8636 1.8719 1.8751 1.8797 1.8887 1.8898 2.0823 2.0837 2.2634 2.2635 2.2898 2.2915 2.9341 2.9344 2.9380 2.9399 3.3091 3.3093 3.5357 3.5452 3.6497 3.6656 3.6827 3.7564 3.8261 3.8321 3.8435 3.8780 3.9309 3.9783 3.9881 4.0097 4.2778 4.3195 4.3343 4.3488 4.7082 4.7276 4.7573 4.7637 4.7668 4.7985 5.4706 5.4881 5.5008 5.5022 7.0838 7.0881 7.3093 7.3112 7.6406 7.6439 7.8425 7.8437 7.8561 7.8600 10.5255 10.5265 10.9159 10.9223 k = 0.0690 0.5000-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4184 -7.4182 -6.9489 -6.9488 -6.5742 -6.5739 -6.5680 -6.5679 0.5089 0.5113 0.8465 0.8474 1.1341 1.1361 1.4553 1.4578 1.8600 1.8689 1.8744 1.8775 1.8876 1.8899 2.0858 2.0877 2.2601 2.2606 2.2867 2.2897 2.9226 2.9232 2.9274 2.9305 3.3161 3.3164 3.5344 3.5460 3.6474 3.6621 3.6802 3.7708 3.8224 3.8287 3.8387 3.8904 3.9320 3.9786 4.0017 4.0190 4.2558 4.3148 4.3343 4.3436 4.7182 4.7380 4.7578 4.7628 4.7640 4.8175 5.4627 5.4856 5.4968 5.4988 7.0902 7.0958 7.3102 7.3126 7.6456 7.6501 7.8372 7.8387 7.8604 7.8656 10.5366 10.5378 10.9358 10.9443 k = 0.0862 0.5000-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4136 -7.4134 -6.9469 -6.9469 -6.5794 -6.5790 -6.5698 -6.5697 0.5139 0.5169 0.8466 0.8478 1.1321 1.1346 1.4576 1.4607 1.8558 1.8648 1.8735 1.8743 1.8864 1.8903 2.0902 2.0926 2.2555 2.2570 2.2830 2.2876 2.9087 2.9094 2.9144 2.9186 3.3243 3.3247 3.5334 3.5465 3.6456 3.6563 3.6813 3.7842 3.8197 3.8257 3.8335 3.9038 3.9344 3.9761 4.0192 4.0305 4.2324 4.3052 4.3352 4.3396 4.7190 4.7441 4.7526 4.7574 4.7831 4.8428 5.4533 5.4804 5.4926 5.4959 7.0983 7.1052 7.3115 7.3145 7.6517 7.6572 7.8308 7.8327 7.8661 7.8725 10.5508 10.5523 10.9615 10.9719 k = 0.1034 0.5000-0.0000 ( 6086 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4079 -7.4077 -6.9446 -6.9446 -6.5856 -6.5852 -6.5719 -6.5718 0.5200 0.5236 0.8467 0.8481 1.1297 1.1326 1.4607 1.4644 1.8512 1.8598 1.8704 1.8724 1.8853 1.8908 2.0954 2.0984 2.2496 2.2525 2.2786 2.2852 2.8927 2.8933 2.8992 2.9046 3.3334 3.3340 3.5329 3.5468 3.6445 3.6507 3.6835 3.7949 3.8188 3.8235 3.8290 3.9177 3.9378 3.9737 4.0378 4.0443 4.2085 4.2910 4.3368 4.3376 4.7133 4.7458 4.7462 4.7511 4.8124 4.8726 5.4425 5.4724 5.4887 5.4943 7.1079 7.1162 7.3136 7.3169 7.6585 7.6650 7.8239 7.8262 7.8730 7.8805 10.5679 10.5696 10.9929 11.0052 k = 0.1207 0.5000-0.0000 ( 6090 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.4012 -7.4009 -6.9419 -6.9418 -6.5929 -6.5924 -6.5744 -6.5743 0.5273 0.5314 0.8469 0.8484 1.1268 1.1301 1.4646 1.4689 1.8461 1.8541 1.8659 1.8708 1.8844 1.8914 2.1014 2.1050 2.2424 2.2470 2.2739 2.2827 2.8750 2.8751 2.8824 2.8888 3.3429 3.3437 3.5330 3.5470 3.6441 3.6461 3.6860 3.7998 3.8198 3.8221 3.8279 3.9307 3.9422 3.9723 4.0569 4.0599 4.1847 4.2739 4.3368 4.3390 4.7046 4.7380 4.7415 4.7474 4.8466 4.9050 5.4303 5.4622 5.4859 5.4939 7.1189 7.1285 7.3165 7.3202 7.6651 7.6725 7.8172 7.8199 7.8809 7.8893 10.5878 10.5897 11.0298 11.0440 k = 0.1379 0.5000-0.0000 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.3935 -7.3931 -6.9388 -6.9387 -6.6012 -6.6007 -6.5772 -6.5771 0.5356 0.5402 0.8471 0.8488 1.1232 1.1270 1.4693 1.4742 1.8405 1.8479 1.8611 1.8689 1.8837 1.8920 2.1080 2.1122 2.2341 2.2404 2.2688 2.2800 2.8553 2.8559 2.8641 2.8715 3.3525 3.3535 3.5335 3.5472 3.6426 3.6444 3.6886 3.7994 3.8175 3.8214 3.8347 3.9401 3.9479 3.9746 4.0762 4.0772 4.1615 4.2553 4.3367 4.3418 4.6943 4.7292 4.7323 4.7447 4.8831 4.9384 5.4168 5.4503 5.4848 5.4950 7.1308 7.1417 7.3204 7.3245 7.6709 7.6789 7.8118 7.8148 7.8896 7.8989 10.6103 10.6124 11.0720 11.0879 k = 0.1552 0.5000-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.3848 -7.3845 -6.9353 -6.9353 -6.6106 -6.6100 -6.5804 -6.5803 0.5449 0.5499 0.8473 0.8492 1.1190 1.1232 1.4750 1.4803 1.8347 1.8411 1.8561 1.8667 1.8832 1.8927 2.1153 2.1201 2.2246 2.2326 2.2638 2.2772 2.8340 2.8357 2.8446 2.8528 3.3620 3.3631 3.5346 3.5479 3.6402 3.6453 3.6914 3.7972 3.8141 3.8215 3.8435 3.9428 3.9552 3.9834 4.0951 4.0956 4.1394 4.2360 4.3369 4.3451 4.6829 4.7195 4.7218 4.7404 4.9202 4.9716 5.4021 5.4368 5.4863 5.4979 7.1435 7.1555 7.3257 7.3300 7.6744 7.6827 7.8091 7.8121 7.8990 7.9091 10.6352 10.6375 11.1193 11.1367 k = 0.1724 0.5000-0.0000 ( 6114 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3753 -7.3749 -6.9315 -6.9315 -6.6209 -6.6203 -6.5838 -6.5837 0.5551 0.5606 0.8476 0.8496 1.1142 1.1186 1.4816 1.4875 1.8285 1.8339 1.8511 1.8644 1.8829 1.8933 2.1231 2.1284 2.2142 2.2236 2.2589 2.2744 2.8117 2.8146 2.8242 2.8331 3.3710 3.3721 3.5362 3.5491 3.6387 3.6470 3.6945 3.7947 3.8107 3.8222 3.8517 3.9405 3.9643 3.9971 4.1087 4.1150 4.1235 4.2166 4.3373 4.3491 4.6706 4.7087 4.7101 4.7343 4.9568 5.0034 5.3864 5.4222 5.4911 5.5032 7.1565 7.1695 7.3325 7.3371 7.6748 7.6828 7.8104 7.8128 7.9088 7.9195 10.6623 10.6647 11.1714 11.1900 k = 0.1897 0.5000-0.0000 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3649 -7.3645 -6.9274 -6.9273 -6.6321 -6.6314 -6.5876 -6.5875 0.5663 0.5722 0.8478 0.8500 1.1085 1.1133 1.4893 1.4957 1.8219 1.8264 1.8464 1.8622 1.8828 1.8938 2.1312 2.1369 2.2029 2.2134 2.2541 2.2714 2.7888 2.7929 2.8030 2.8124 3.3794 3.3803 3.5383 3.5510 3.6379 3.6491 3.6980 3.7920 3.8076 3.8235 3.8587 3.9357 3.9751 4.0128 4.0945 4.1349 4.1362 4.1975 4.3378 4.3537 4.6574 4.6970 4.6973 4.7264 4.9918 5.0327 5.3701 5.4067 5.4999 5.5117 7.1694 7.1832 7.3410 7.3460 7.6714 7.6786 7.8161 7.8177 7.9189 7.9301 10.6913 10.6937 11.2277 11.2473 k = 0.2069 0.5000-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3537 -7.3532 -6.9230 -6.9229 -6.6441 -6.6434 -6.5916 -6.5915 0.5783 0.5845 0.8481 0.8504 1.1021 1.1071 1.4982 1.5050 1.8151 1.8186 1.8422 1.8601 1.8829 1.8944 2.1396 2.1453 2.1912 2.2023 2.2496 2.2684 2.7654 2.7709 2.7811 2.7911 3.3872 3.3877 3.5408 3.5538 3.6377 3.6516 3.7019 3.7890 3.8055 3.8253 3.8648 3.9296 3.9875 4.0292 4.0761 4.1540 4.1548 4.1791 4.3384 4.3588 4.6437 4.6836 4.6843 4.7169 5.0242 5.0588 5.3532 5.3903 5.5134 5.5237 7.1818 7.1962 7.3515 7.3569 7.6645 7.6706 7.8259 7.8264 7.9291 7.9408 10.7218 10.7243 11.2877 11.3078 k = 0.2241 0.5000-0.0000 ( 6110 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3417 -7.3412 -6.9183 -6.9183 -6.6569 -6.6562 -6.5959 -6.5958 0.5912 0.5976 0.8484 0.8507 1.0948 1.0999 1.5082 1.5154 1.8079 1.8107 1.8385 1.8583 1.8830 1.8949 2.1476 2.1519 2.1807 2.1907 2.2453 2.2655 2.7418 2.7488 2.7587 2.7692 3.3942 3.3942 3.5437 3.5575 3.6378 3.6543 3.7064 3.7851 3.8049 3.8273 3.8700 3.9227 4.0009 4.0454 4.0594 4.1587 4.1715 4.1773 4.3391 4.3645 4.6293 4.6691 4.6707 4.7057 5.0532 5.0811 5.3360 5.3734 5.5316 5.5397 7.1935 7.2081 7.3640 7.3700 7.6548 7.6598 7.8383 7.8388 7.9393 7.9512 10.7537 10.7562 11.3501 11.3698 k = 0.2414 0.5000-0.0000 ( 6104 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3290 -7.3285 -6.9134 -6.9134 -6.6704 -6.6696 -6.6004 -6.6003 0.6047 0.6114 0.8487 0.8510 1.0865 1.0917 1.5195 1.5271 1.8006 1.8027 1.8355 1.8568 1.8834 1.8954 2.1508 2.1533 2.1772 2.1808 2.2414 2.2627 2.7182 2.7266 2.7360 2.7470 3.3997 3.4005 3.5470 3.5619 3.6381 3.6569 3.7114 3.7803 3.8061 3.8294 3.8748 3.9152 4.0151 4.0420 4.0637 4.1421 4.1882 4.1968 4.3398 4.3706 4.6145 4.6539 4.6563 4.6929 5.0785 5.0996 5.3188 5.3561 5.5544 5.5598 7.2042 7.2187 7.3786 7.3852 7.6432 7.6472 7.8524 7.8537 7.9492 7.9614 10.7866 10.7889 11.4129 11.4300 k = 0.2586 0.5000-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.3157 -7.3152 -6.9084 -6.9083 -6.6846 -6.6838 -6.6050 -6.6049 0.6190 0.6259 0.8489 0.8513 1.0774 1.0826 1.5321 1.5399 1.7932 1.7948 1.8333 1.8557 1.8838 1.8958 2.1396 2.1499 2.1790 2.1829 2.2377 2.2601 2.6948 2.7046 2.7132 2.7245 3.4044 3.4062 3.5505 3.5669 3.6386 3.6592 3.7169 3.7748 3.8088 3.8315 3.8793 3.9074 4.0284 4.0293 4.0801 4.1260 4.2040 4.2167 4.3406 4.3771 4.5992 4.6380 4.6413 4.6787 5.0996 5.1142 5.3018 5.3386 5.5813 5.5839 7.2138 7.2280 7.3950 7.4023 7.6307 7.6337 7.8680 7.8699 7.9589 7.9711 10.8200 10.8222 11.4691 11.4788 k = 0.2759 0.5000-0.0000 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.3019 -7.3013 -6.9032 -6.9032 -6.6992 -6.6984 -6.6098 -6.6097 0.6339 0.6409 0.8492 0.8516 1.0673 1.0724 1.5460 1.5541 1.7858 1.7869 1.8318 1.8551 1.8843 1.8962 2.1246 2.1375 2.1856 2.1914 2.2344 2.2580 2.6716 2.6829 2.6905 2.7020 3.4084 3.4112 3.5544 3.5724 3.6391 3.6611 3.7228 3.7690 3.8127 3.8330 3.8838 3.8996 4.0165 4.0427 4.0966 4.1121 4.2189 4.2361 4.3416 4.3836 4.5836 4.6215 4.6258 4.6632 5.1169 5.1256 5.2852 5.3213 5.6113 5.6114 7.2224 7.2360 7.4129 7.4211 7.6177 7.6199 7.8844 7.8867 7.9680 7.9803 10.8535 10.8555 11.4952 11.4983 k = 0.2931 0.5000-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.2876 -7.2870 -6.8979 -6.8979 -6.7143 -6.7135 -6.6147 -6.6146 0.6494 0.6564 0.8494 0.8518 1.0563 1.0611 1.5612 1.5695 1.7784 1.7793 1.8312 1.8550 1.8849 1.8966 2.1080 2.1217 2.1946 2.2003 2.2316 2.2565 2.6489 2.6616 2.6681 2.6796 3.4118 3.4156 3.5585 3.5782 3.6395 3.6625 3.7292 3.7630 3.8172 3.8335 3.8883 3.8926 4.0065 4.0524 4.1029 4.1130 4.2330 4.2548 4.3426 4.3899 4.5677 4.6047 4.6099 4.6466 5.1307 5.1343 5.2692 5.3041 5.6412 5.6436 7.2299 7.2428 7.4320 7.4410 7.6047 7.6062 7.9011 7.9037 7.9767 7.9887 10.8869 10.8886 11.4745 11.4828 k = 0.3103 0.5000-0.0000 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.2729 -7.2723 -6.8926 -6.8926 -6.7298 -6.7289 -6.6196 -6.6195 0.6654 0.6723 0.8497 0.8520 1.0443 1.0489 1.5776 1.5860 1.7713 1.7719 1.8313 1.8553 1.8855 1.8969 2.0903 2.1043 2.2040 2.2086 2.2296 2.2561 2.6267 2.6407 2.6463 2.6576 3.4148 3.4194 3.5629 3.5841 3.6398 3.6632 3.7358 3.7572 3.8220 3.8320 3.8872 3.8932 3.9984 4.0534 4.1037 4.1293 4.2462 4.2727 4.3438 4.3958 4.5516 4.5876 4.5939 4.6292 5.1408 5.1415 5.2541 5.2874 5.6728 5.6769 7.2365 7.2486 7.4518 7.4615 7.5923 7.5930 7.9178 7.9205 7.9847 7.9964 10.9196 10.9211 11.4371 11.4449 k = 0.3276 0.5000-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2581 -7.2575 -6.8874 -6.8874 -6.7454 -6.7445 -6.6245 -6.6244 0.6819 0.6887 0.8499 0.8521 1.0314 1.0357 1.5953 1.6038 1.7644 1.7649 1.8322 1.8560 1.8863 1.8971 2.0716 2.0857 2.2121 2.2152 2.2295 2.2576 2.6051 2.6205 2.6253 2.6362 3.4175 3.4228 3.5676 3.5899 3.6400 3.6633 3.7427 3.7517 3.8264 3.8280 3.8845 3.8986 3.9920 4.0457 4.1142 4.1454 4.2587 4.2896 4.3451 4.4008 4.5353 4.5703 4.5781 4.6113 5.1457 5.1498 5.2401 5.2713 5.7050 5.7102 7.2423 7.2536 7.4717 7.4821 7.5806 7.5808 7.9341 7.9367 7.9920 8.0033 10.9514 10.9525 11.3946 11.4010 k = 0.3448 0.5000-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2432 -7.2426 -6.8822 -6.8822 -6.7610 -6.7601 -6.6294 -6.6292 0.6988 0.7054 0.8501 0.8522 1.0178 1.0215 1.6141 1.6226 1.7580 1.7583 1.8337 1.8570 1.8871 1.8972 2.0523 2.0663 2.2162 2.2195 2.2341 2.2615 2.5844 2.6010 2.6052 2.6155 3.4199 3.4258 3.5725 3.5956 3.6399 3.6628 3.7468 3.7496 3.8213 3.8301 3.8846 3.9045 3.9871 4.0347 4.1293 4.1615 4.2706 4.3053 4.3466 4.4045 4.5191 4.5533 4.5626 4.5932 5.1494 5.1561 5.2274 5.2559 5.7369 5.7428 7.2475 7.2577 7.4909 7.5021 7.5694 7.5707 7.9497 7.9522 7.9986 8.0093 10.9816 10.9824 11.3515 11.3566 k = 0.3621 0.5000-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2284 -7.2278 -6.8773 -6.8773 -6.7764 -6.7755 -6.6340 -6.6339 0.7161 0.7224 0.8503 0.8523 1.0033 1.0066 1.6340 1.6424 1.7520 1.7522 1.8358 1.8583 1.8880 1.8973 2.0322 2.0462 2.2166 2.2215 2.2428 2.2678 2.5649 2.5825 2.5864 2.5957 3.4222 3.4283 3.5777 3.6010 3.6398 3.6616 3.7426 3.7565 3.8127 3.8327 3.8870 3.9111 3.9834 4.0230 4.1463 4.1774 4.2821 4.3195 4.3482 4.4063 4.5030 4.5367 4.5477 4.5753 5.1521 5.1609 5.2162 5.2416 5.7677 5.7738 7.2520 7.2613 7.5085 7.5207 7.5601 7.5627 7.9643 7.9666 8.0045 8.0144 11.0101 11.0105 11.3098 11.3139 k = 0.3793 0.5000-0.0000 ( 6110 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.2140 -7.2134 -6.8726 -6.8726 -6.7914 -6.7905 -6.6384 -6.6383 0.7337 0.7397 0.8504 0.8523 0.9882 0.9908 1.6548 1.6629 1.7465 1.7467 1.8383 1.8597 1.8890 1.8973 2.0115 2.0254 2.2158 2.2218 2.2529 2.2756 2.5467 2.5651 2.5689 2.5770 3.4243 3.4304 3.5829 3.6060 3.6393 3.6600 3.7391 3.7634 3.8031 3.8339 3.8910 3.9180 3.9807 4.0114 4.1644 4.1932 4.2932 4.3314 4.3505 4.4056 4.4873 4.5212 4.5338 4.5577 5.1540 5.1644 5.2065 5.2283 5.7965 5.8025 7.2560 7.2642 7.5218 7.5340 7.5559 7.5593 7.9778 7.9797 8.0096 8.0187 11.0363 11.0364 11.2709 11.2740 k = 0.3966 0.5000-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.2002 -7.1997 -6.8683 -6.8683 -6.8056 -6.8048 -6.6425 -6.6425 0.7517 0.7572 0.8506 0.8523 0.9724 0.9744 1.6762 1.6840 1.7417 1.7419 1.8411 1.8611 1.8901 1.8971 1.9904 2.0042 2.2149 2.2211 2.2633 2.2839 2.5303 2.5491 2.5529 2.5596 3.4263 3.4322 3.5884 3.6106 3.6387 3.6579 3.7366 3.7702 3.7932 3.8337 3.8962 3.9252 3.9787 4.0004 4.1831 4.2090 4.3040 4.3388 4.3553 4.4018 4.4725 4.5071 4.5211 4.5411 5.1553 5.1669 5.1986 5.2162 5.8228 5.8284 7.2595 7.2666 7.5268 7.5346 7.5639 7.5642 7.9899 7.9913 8.0142 8.0220 11.0598 11.0600 11.2355 11.2378 k = 0.4138 0.5000-0.0000 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1874 -7.1869 -6.8645 -6.8644 -6.8188 -6.8181 -6.6462 -6.6462 0.7698 0.7748 0.8507 0.8522 0.9561 0.9575 1.6980 1.7052 1.7375 1.7378 1.8441 1.8623 1.8912 1.8968 1.9690 1.9827 2.2141 2.2200 2.2735 2.2920 2.5161 2.5348 2.5387 2.5435 3.4282 3.4335 3.5938 3.6147 3.6379 3.6553 3.7351 3.7762 3.7842 3.8321 3.9021 3.9320 3.9771 3.9902 4.2023 4.2246 4.3143 4.3402 4.3634 4.3946 4.4588 4.4947 4.5100 4.5259 5.1562 5.1684 5.1924 5.2056 5.8461 5.8510 7.2625 7.2685 7.5252 7.5295 7.5746 7.5773 8.0003 8.0011 8.0182 8.0246 11.0803 11.0807 11.2045 11.2062 k = 0.4310 0.5000-0.0000 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1759 -7.1755 -6.8612 -6.8611 -6.8305 -6.8298 -6.6494 -6.6494 0.7880 0.7925 0.8509 0.8522 0.9395 0.9401 1.7195 1.7252 1.7344 1.7356 1.8471 1.8634 1.8924 1.8964 1.9477 1.9615 2.2135 2.2187 2.2831 2.2993 2.5044 2.5224 2.5264 2.5292 3.4300 3.4345 3.5992 3.6181 3.6371 3.6525 3.7347 3.7729 3.7848 3.8294 3.9086 3.9381 3.9756 3.9809 4.2218 4.2401 4.3236 4.3375 4.3722 4.3846 4.4469 4.4836 4.5010 4.5128 5.1567 5.1691 5.1880 5.1967 5.8657 5.8699 7.2651 7.2699 7.5218 7.5245 7.5861 7.5894 8.0090 8.0091 8.0218 8.0265 11.0976 11.0981 11.1783 11.1795 k = 0.4483 0.5000-0.0000 ( 6108 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1662 -7.1659 -6.8588 -6.8586 -6.8401 -6.8395 -6.6520 -6.6520 0.8063 0.8100 0.8511 0.8523 0.9225 0.9226 1.7301 1.7302 1.7421 1.7481 1.8501 1.8643 1.8934 1.8956 1.9274 1.9411 2.2133 2.2173 2.2920 2.3051 2.4956 2.5119 2.5164 2.5172 3.4315 3.4351 3.6045 3.6204 3.6366 3.6496 3.7355 3.7646 3.7911 3.8257 3.9154 3.9428 3.9732 3.9741 4.2416 4.2553 4.3305 4.3319 4.3740 4.3795 4.4378 4.4727 4.4944 4.5027 5.1574 5.1687 5.1849 5.1898 5.8816 5.8847 7.2672 7.2708 7.5187 7.5203 7.5963 7.5992 8.0149 8.0158 8.0251 8.0279 11.1115 11.1120 11.1575 11.1583 k = 0.4655 0.5000-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1588 -7.1586 -6.8574 -6.8572 -6.8471 -6.8465 -6.6539 -6.6539 0.8241 0.8270 0.8513 0.8525 0.9051 0.9058 1.7286 1.7287 1.7608 1.7655 1.8531 1.8648 1.8937 1.8940 1.9098 1.9228 2.2133 2.2161 2.2995 2.3089 2.4902 2.5027 2.5086 2.5089 3.4329 3.4354 3.6093 3.6212 3.6369 3.6466 3.7374 3.7570 3.7976 3.8211 3.9225 3.9445 3.9681 3.9724 4.2612 4.2700 4.3237 4.3300 4.3682 4.3834 4.4330 4.4615 4.4902 4.4956 5.1583 5.1672 5.1831 5.1853 5.8932 5.8954 7.2689 7.2713 7.5163 7.5173 7.6042 7.6063 8.0188 8.0202 8.0279 8.0290 11.1215 11.1220 11.1425 11.1429 k = 0.4828 0.5000-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1542 -7.1540 -6.8574 -6.8573 -6.8504 -6.8501 -6.6551 -6.6551 0.8402 0.8415 0.8521 0.8537 0.8888 0.8901 1.7275 1.7275 1.7755 1.7782 1.8565 1.8642 1.8904 1.8912 1.9013 1.9093 2.2136 2.2150 2.3054 2.3103 2.4884 2.4951 2.5038 2.5041 3.4340 3.4352 3.6137 3.6201 3.6384 3.6436 3.7405 3.7503 3.8040 3.8159 3.9296 3.9420 3.9669 3.9704 4.2800 4.2837 4.3139 4.3197 4.3708 4.3822 4.4344 4.4506 4.4885 4.4912 5.1598 5.1647 5.1821 5.1829 5.9005 5.9016 7.2702 7.2714 7.5149 7.5154 7.6093 7.6104 8.0213 8.0223 8.0298 8.0300 11.1273 11.1277 11.1338 11.1338 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1525 -7.1525 -6.8578 -6.8578 -6.8510 -6.8510 -6.6555 -6.6555 0.8471 0.8471 0.8558 0.8558 0.8805 0.8805 1.7272 1.7272 1.7822 1.7822 1.8609 1.8609 1.8881 1.8881 1.9026 1.9026 2.2142 2.2142 2.3092 2.3092 2.4901 2.4901 2.5024 2.5024 3.4348 3.4348 3.6175 3.6175 3.6408 3.6408 3.7449 3.7449 3.8101 3.8101 3.9364 3.9364 3.9684 3.9684 4.2920 4.2920 4.3083 4.3083 4.3770 4.3770 4.4411 4.4411 4.4889 4.4889 5.1620 5.1620 5.1820 5.1820 5.9033 5.9033 7.2710 7.2710 7.5146 7.5146 7.6114 7.6114 8.0224 8.0224 8.0305 8.0305 11.1284 11.1284 11.1319 11.1319 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1525 -7.1525 -6.8578 -6.8578 -6.8510 -6.8510 -6.6555 -6.6555 0.8471 0.8471 0.8558 0.8558 0.8805 0.8805 1.7272 1.7272 1.7822 1.7822 1.8609 1.8609 1.8881 1.8881 1.9026 1.9026 2.2142 2.2142 2.3092 2.3092 2.4901 2.4901 2.5024 2.5024 3.4348 3.4348 3.6175 3.6175 3.6408 3.6408 3.7449 3.7449 3.8101 3.8101 3.9364 3.9364 3.9684 3.9684 4.2920 4.2920 4.3083 4.3083 4.3770 4.3770 4.4411 4.4411 4.4889 4.4889 5.1620 5.1620 5.1820 5.1820 5.9033 5.9033 7.2710 7.2710 7.5146 7.5146 7.6114 7.6114 8.0224 8.0224 8.0305 8.0305 11.1284 11.1284 11.1319 11.1319 k = 0.4878 0.4878-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1542 -7.1540 -6.8573 -6.8571 -6.8505 -6.8502 -6.6551 -6.6551 0.8408 0.8417 0.8515 0.8531 0.8890 0.8903 1.7275 1.7275 1.7755 1.7782 1.8560 1.8647 1.8903 1.8915 1.9022 1.9083 2.2136 2.2150 2.3055 2.3103 2.4884 2.4948 2.5037 2.5044 3.4340 3.4352 3.6137 3.6202 3.6384 3.6436 3.7405 3.7504 3.8040 3.8158 3.9295 3.9421 3.9665 3.9707 4.2811 4.2823 4.3146 4.3193 4.3707 4.3822 4.4344 4.4507 4.4885 4.4912 5.1598 5.1647 5.1822 5.1828 5.9005 5.9016 7.2702 7.2714 7.5149 7.5154 7.6093 7.6104 8.0210 8.0224 8.0298 8.0301 11.1249 11.1253 11.1361 11.1364 k = 0.4756 0.4756-0.0000 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1589 -7.1587 -6.8556 -6.8554 -6.8488 -6.8482 -6.6539 -6.6539 0.8263 0.8286 0.8482 0.8492 0.9063 0.9072 1.7282 1.7288 1.7606 1.7656 1.8505 1.8662 1.8957 1.8980 1.9110 1.9172 2.2132 2.2162 2.3001 2.3090 2.4898 2.4997 2.5085 2.5120 3.4329 3.4354 3.6091 3.6219 3.6364 3.6466 3.7372 3.7571 3.7978 3.8209 3.9221 3.9457 3.9647 3.9749 4.2628 4.2678 4.3259 4.3291 4.3675 4.3834 4.4332 4.4619 4.4901 4.4953 5.1581 5.1678 5.1834 5.1844 5.8932 5.8954 7.2689 7.2714 7.5163 7.5173 7.6042 7.6063 8.0170 8.0204 8.0286 8.0300 11.1109 11.1118 11.1530 11.1535 k = 0.4634 0.4634-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1666 -7.1662 -6.8530 -6.8527 -6.8458 -6.8449 -6.6520 -6.6519 0.8104 0.8135 0.8439 0.8446 0.9260 0.9263 1.7273 1.7304 1.7412 1.7501 1.8449 1.8647 1.9018 1.9075 1.9248 1.9289 2.2131 2.2176 2.2940 2.3059 2.4929 2.5038 2.5173 2.5251 3.4315 3.4352 3.6039 3.6230 3.6347 3.6495 3.7349 3.7648 3.7920 3.8251 3.9143 3.9465 3.9626 3.9819 4.2433 4.2523 4.3297 4.3359 4.3717 4.3793 4.4387 4.4742 4.4939 4.5013 5.1570 5.1712 5.1856 5.1869 5.8817 5.8849 7.2673 7.2709 7.5186 7.5203 7.5964 7.5993 8.0098 8.0150 8.0284 8.0306 11.0883 11.0894 11.1811 11.1818 k = 0.4512 0.4512-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1769 -7.1764 -6.8498 -6.8494 -6.8413 -6.8402 -6.6494 -6.6493 0.7943 0.7981 0.8380 0.8387 0.9468 0.9471 1.7158 1.7168 1.7353 1.7430 1.8395 1.8616 1.9101 1.9168 1.9398 1.9423 2.2132 2.2194 2.2884 2.3020 2.4969 2.5083 2.5303 2.5416 3.4300 3.4346 3.5983 3.6235 3.6332 3.6521 3.7334 3.7729 3.7872 3.8281 3.9062 3.9447 3.9603 3.9914 4.2235 4.2365 4.3232 4.3432 4.3726 4.3811 4.4493 4.4866 4.5006 4.5087 5.1565 5.1747 5.1889 5.1900 5.8661 5.8703 7.2652 7.2700 7.5217 7.5243 7.5864 7.5897 7.9996 8.0063 8.0292 8.0319 11.0579 11.0594 11.2196 11.2203 k = 0.4390 0.4390-0.0000 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1895 -7.1890 -6.8461 -6.8456 -6.8357 -6.8343 -6.6461 -6.6460 0.7783 0.7826 0.8305 0.8311 0.9686 0.9694 1.6925 1.6942 1.7394 1.7451 1.8345 1.8578 1.9197 1.9259 1.9543 1.9559 2.2136 2.2216 2.2842 2.2984 2.5014 2.5135 2.5467 2.5603 3.4284 3.4338 3.5926 3.6237 3.6317 3.6542 3.7326 3.7771 3.7873 3.8300 3.8978 3.9408 3.9580 4.0031 4.2038 4.2205 4.3138 4.3448 4.3677 4.3908 4.4629 4.4975 4.5117 4.5175 5.1565 5.1786 5.1929 5.1938 5.8469 5.8519 7.2628 7.2687 7.5248 7.5291 7.5752 7.5780 7.9869 7.9950 8.0305 8.0335 11.0210 11.0226 11.2676 11.2679 k = 0.4268 0.4268-0.0000 ( 6108 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.2041 -7.2036 -6.8417 -6.8411 -6.8290 -6.8275 -6.6424 -6.6422 0.7622 0.7669 0.8213 0.8220 0.9914 0.9929 1.6669 1.6695 1.7448 1.7501 1.8300 1.8540 1.9304 1.9350 1.9674 1.9684 2.2144 2.2242 2.2823 2.2963 2.5067 2.5196 2.5655 2.5806 3.4267 3.4326 3.5869 3.6237 3.6301 3.6558 3.7323 3.7743 3.7948 3.8308 3.8893 3.9354 3.9561 4.0161 4.1844 4.2045 4.3034 4.3384 4.3682 4.3990 4.4787 4.5070 4.5271 4.5273 5.1569 5.1829 5.1973 5.1981 5.8245 5.8303 7.2600 7.2671 7.5264 7.5340 7.5647 7.5652 7.9720 7.9815 8.0319 8.0353 10.9782 10.9800 11.3235 11.3238 k = 0.4146 0.4146-0.0000 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.2204 -7.2199 -6.8367 -6.8360 -6.8216 -6.8200 -6.6381 -6.6380 0.7461 0.7511 0.8106 0.8113 1.0154 1.0175 1.6405 1.6435 1.7515 1.7566 1.8260 1.8503 1.9418 1.9442 1.9788 1.9792 2.2154 2.2273 2.2834 2.2964 2.5127 2.5265 2.5861 2.6019 3.4250 3.4311 3.5812 3.6235 3.6285 3.6569 3.7325 3.7708 3.8029 3.8307 3.8807 3.9286 3.9551 4.0302 4.1659 4.1886 4.2927 4.3277 4.3711 4.4052 4.4960 4.5167 4.5381 4.5448 5.1574 5.1879 5.2016 5.2030 5.7996 5.8060 7.2570 7.2652 7.5225 7.5349 7.5557 7.5592 7.9554 7.9661 8.0333 8.0369 10.9306 10.9324 11.3852 11.3865 k = 0.4024 0.4024-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2382 -7.2376 -6.8311 -6.8302 -6.8137 -6.8120 -6.6336 -6.6334 0.7297 0.7351 0.7983 0.7991 1.0405 1.0431 1.6136 1.6167 1.7593 1.7642 1.8225 1.8467 1.9537 1.9538 1.9879 1.9879 2.2170 2.2308 2.2879 2.2994 2.5195 2.5342 2.6078 2.6240 3.4235 3.4294 3.5756 3.6233 3.6267 3.6577 3.7329 3.7676 3.8095 3.8298 3.8721 3.9205 3.9558 4.0443 4.1489 4.1730 4.2820 4.3153 4.3740 4.4094 4.5142 4.5271 4.5497 4.5641 5.1578 5.1935 5.2055 5.2083 5.7728 5.7796 7.2538 7.2629 7.5111 7.5243 7.5574 7.5610 7.9374 7.9493 8.0346 8.0384 10.8787 10.8804 11.4511 11.4538 k = 0.3902 0.3902-0.0000 ( 6084 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2571 -7.2565 -6.8248 -6.8238 -6.8053 -6.8035 -6.6288 -6.6286 0.7129 0.7186 0.7846 0.7855 1.0665 1.0698 1.5864 1.5895 1.7682 1.7728 1.8194 1.8435 1.9634 1.9663 1.9944 1.9949 2.2190 2.2349 2.2960 2.3055 2.5270 2.5425 2.6303 2.6465 3.4220 3.4274 3.5699 3.6229 3.6248 3.6581 3.7337 3.7650 3.8133 3.8283 3.8637 3.9113 3.9589 4.0567 4.1350 4.1576 4.2713 4.3022 4.3764 4.4117 4.5326 4.5380 4.5625 4.5845 5.1577 5.1996 5.2088 5.2141 5.7448 5.7518 7.2504 7.2605 7.4953 7.5077 7.5648 7.5671 7.9185 7.9313 8.0356 8.0395 10.8230 10.8247 11.5186 11.5230 k = 0.3780 0.3780-0.0000 ( 6084 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1740 -32.1740 -7.2769 -7.2764 -6.8180 -6.8169 -6.7966 -6.7947 -6.6239 -6.6236 0.6958 0.7016 0.7694 0.7703 1.0935 1.0973 1.5589 1.5619 1.7781 1.7821 1.8169 1.8404 1.9733 1.9792 1.9993 2.0000 2.2214 2.2394 2.3076 2.3149 2.5352 2.5514 2.6534 2.6692 3.4207 3.4252 3.5643 3.6226 3.6227 3.6583 3.7345 3.7628 3.8137 3.8265 3.8555 3.9011 3.9648 4.0635 4.1278 4.1428 4.2607 4.2887 4.3783 4.4124 4.5492 4.5499 4.5774 4.6057 5.1565 5.2049 5.2124 5.2204 5.7164 5.7234 7.2469 7.2579 7.4777 7.4895 7.5739 7.5751 7.8991 7.9127 8.0362 8.0402 10.7640 10.7655 11.5844 11.5909 k = 0.3659 0.3659-0.0000 ( 6078 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.2975 -7.2970 -6.8105 -6.8093 -6.7876 -6.7857 -6.6189 -6.6186 0.6782 0.6840 0.7528 0.7539 1.1214 1.1257 1.5314 1.5342 1.7888 1.7916 1.8151 1.8375 1.9829 1.9916 2.0034 2.0045 2.2244 2.2444 2.3225 2.3275 2.5442 2.5610 2.6766 2.6921 3.4197 3.4227 3.5586 3.6205 3.6222 3.6584 3.7354 3.7610 3.8106 3.8245 3.8477 3.8900 3.9733 4.0607 4.1288 4.1315 4.2503 4.2750 4.3799 4.4119 4.5606 4.5647 4.5954 4.6278 5.1536 5.2059 5.2190 5.2274 5.6884 5.6953 7.2433 7.2552 7.4593 7.4707 7.5839 7.5841 7.8796 7.8938 8.0362 8.0403 10.7021 10.7034 11.6442 11.6527 k = 0.3537 0.3537-0.0000 ( 6070 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1744 -32.1744 -32.1740 -32.1740 -7.3187 -7.3182 -6.8025 -6.8012 -6.7783 -6.7764 -6.6140 -6.6137 0.6600 0.6659 0.7349 0.7361 1.1500 1.1548 1.5038 1.5065 1.7996 1.8001 1.8154 1.8347 1.9912 1.9999 2.0088 2.0126 2.2279 2.2498 2.3403 2.3430 2.5537 2.5711 2.7000 2.7148 3.4188 3.4201 3.5529 3.6183 3.6217 3.6585 3.7361 3.7596 3.8043 3.8223 3.8405 3.8784 3.9835 4.0502 4.1160 4.1436 4.2399 4.2611 4.3812 4.4106 4.5719 4.5770 4.6165 4.6505 5.1484 5.2028 5.2280 5.2352 5.6618 5.6683 7.2399 7.2524 7.4407 7.4517 7.5935 7.5942 7.8604 7.8750 8.0356 8.0398 10.6376 10.6386 11.6421 11.6499 k = 0.3415 0.3415-0.0000 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3403 -7.3398 -6.7940 -6.7926 -6.7689 -6.7670 -6.6092 -6.6088 0.6412 0.6471 0.7159 0.7171 1.1793 1.1845 1.4763 1.4788 1.8030 1.8116 1.8204 1.8320 1.9969 2.0033 2.0173 2.0260 2.2318 2.2556 2.3605 2.3611 2.5638 2.5818 2.7232 2.7374 3.4171 3.4178 3.5472 3.6160 3.6212 3.6587 3.7364 3.7583 3.7951 3.8199 3.8339 3.8665 3.9939 4.0364 4.1054 4.1594 4.2295 4.2472 4.3826 4.4088 4.5829 4.5874 4.6399 4.6739 5.1402 5.1959 5.2384 5.2439 5.6371 5.6432 7.2365 7.2497 7.4221 7.4328 7.6028 7.6045 7.8422 7.8568 8.0344 8.0386 10.5706 10.5713 11.5976 11.6058 k = 0.3293 0.3293-0.0000 ( 6090 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3621 -7.3617 -6.7850 -6.7835 -6.7594 -6.7575 -6.6046 -6.6042 0.6219 0.6277 0.6957 0.6971 1.2091 1.2148 1.4490 1.4512 1.8026 1.8227 1.8287 1.8294 2.0012 2.0059 2.0287 2.0412 2.2362 2.2617 2.3815 2.3828 2.5745 2.5929 2.7462 2.7596 3.4139 3.4169 3.5417 3.6136 3.6204 3.6592 3.7361 3.7570 3.7836 3.8171 3.8286 3.8553 4.0024 4.0216 4.0985 4.1759 4.2189 4.2340 4.3841 4.4067 4.5933 4.5965 4.6649 4.6980 5.1284 5.1852 5.2498 5.2536 5.6151 5.6208 7.2333 7.2470 7.4039 7.4141 7.6116 7.6144 7.8255 7.8396 8.0325 8.0367 10.5014 10.5017 11.5531 11.5613 k = 0.3171 0.3171-0.0000 ( 6070 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3841 -7.3837 -6.7756 -6.7740 -6.7497 -6.7478 -6.6002 -6.5997 0.6021 0.6078 0.6746 0.6760 1.2393 1.2454 1.4218 1.4239 1.8011 1.8268 1.8328 1.8371 2.0062 2.0095 2.0418 2.0574 2.2412 2.2683 2.4038 2.4069 2.5857 2.6045 2.7688 2.7815 3.4105 3.4158 3.5367 3.6113 3.6196 3.6601 3.7346 3.7557 3.7702 3.8135 3.8246 3.8458 4.0064 4.0067 4.0975 4.1890 4.2081 4.2245 4.3860 4.4049 4.6032 4.6045 4.6913 4.7229 5.1131 5.1704 5.2620 5.2642 5.5962 5.6015 7.2304 7.2444 7.3860 7.3958 7.6193 7.6236 7.8110 7.8242 8.0298 8.0340 10.4301 10.4301 11.5093 11.5173 k = 0.3049 0.3049-0.0000 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.4061 -7.4058 -6.7658 -6.7642 -6.7399 -6.7380 -6.5961 -6.5956 0.5817 0.5873 0.6525 0.6541 1.2698 1.2763 1.3949 1.3968 1.7991 1.8242 1.8413 1.8441 2.0130 2.0153 2.0560 2.0742 2.2465 2.2750 2.4277 2.4325 2.5975 2.6165 2.7909 2.8027 3.4068 3.4142 3.5323 3.6089 3.6184 3.6615 3.7313 3.7525 3.7567 3.8089 3.8220 3.8387 3.9920 4.0044 4.1033 4.1890 4.1969 4.2281 4.3884 4.4034 4.6118 4.6124 4.7187 4.7485 5.0941 5.1516 5.2748 5.2756 5.5804 5.5855 7.2278 7.2420 7.3687 7.3780 7.6252 7.6313 7.7993 7.8111 8.0263 8.0304 10.3566 10.3570 11.4666 11.4742 k = 0.2927 0.2927-0.0000 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1742 -32.1742 -32.1740 -32.1740 -7.4280 -7.4277 -6.7557 -6.7540 -6.7301 -6.7282 -6.5923 -6.5917 0.5610 0.5664 0.6297 0.6314 1.3004 1.3073 1.3684 1.3701 1.7969 1.8215 1.8475 1.8490 2.0225 2.0238 2.0712 2.0915 2.2522 2.2820 2.4531 2.4593 2.6098 2.6289 2.8124 2.8234 3.4027 3.4118 3.5291 3.6063 3.6169 3.6636 3.7254 3.7378 3.7536 3.8039 3.8208 3.8346 3.9779 3.9976 4.1144 4.1774 4.1855 4.2427 4.3915 4.4026 4.6183 4.6208 4.7473 4.7750 5.0718 5.1292 5.2876 5.2882 5.5677 5.5727 7.2256 7.2398 7.3520 7.3608 7.6287 7.6369 7.7912 7.8011 8.0220 8.0261 10.2814 10.2822 11.4253 11.4325 k = 0.2805 0.2805-0.0000 ( 6090 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1739 -32.1739 -7.4498 -7.4495 -6.7452 -6.7435 -6.7202 -6.7183 -6.5887 -6.5882 0.5400 0.5451 0.6063 0.6080 1.3304 1.3376 1.3428 1.3444 1.7947 1.8188 1.8512 1.8517 2.0349 2.0354 2.0871 2.1093 2.2583 2.2891 2.4797 2.4871 2.6226 2.6418 2.8331 2.8433 3.3981 3.4083 3.5273 3.6034 3.6152 3.6664 3.7165 3.7204 3.7519 3.7999 3.8208 3.8323 3.9645 3.9877 4.1279 4.1626 4.1747 4.2599 4.3952 4.4026 4.6241 4.6286 4.7768 4.8023 5.0467 5.1036 5.3002 5.3019 5.5575 5.5625 7.2238 7.2378 7.3360 7.3443 7.6295 7.6398 7.7872 7.7948 8.0169 8.0210 10.2047 10.2058 11.3858 11.3923 k = 0.2683 0.2683-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1739 -32.1739 -7.4712 -7.4709 -6.7346 -6.7329 -6.7103 -6.7084 -6.5856 -6.5850 0.5187 0.5236 0.5824 0.5841 1.3164 1.3174 1.3620 1.3691 1.7923 1.8161 1.8523 1.8524 2.0499 2.0500 2.1036 2.1274 2.2647 2.2962 2.5074 2.5158 2.6360 2.6552 2.8531 2.8624 3.3930 3.4035 3.5273 3.5998 3.6130 3.6699 3.7023 3.7051 3.7504 3.7976 3.8221 3.8312 3.9520 3.9764 4.1380 4.1467 4.1686 4.2773 4.3999 4.4036 4.6295 4.6356 4.8074 4.8305 5.0195 5.0755 5.3130 5.3158 5.5496 5.5547 7.2223 7.2360 7.3207 7.3285 7.6277 7.6399 7.7871 7.7924 8.0111 8.0151 10.1266 10.1280 11.3481 11.3540 k = 0.2561 0.2561-0.0000 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1742 -32.1742 -32.1739 -32.1739 -7.4923 -7.4920 -6.7238 -6.7221 -6.7004 -6.6986 -6.5827 -6.5821 0.4973 0.5020 0.5581 0.5599 1.2911 1.2922 1.3921 1.3995 1.7899 1.8132 1.8510 1.8516 2.0672 2.0673 2.1207 2.1458 2.2714 2.3034 2.5360 2.5452 2.6499 2.6690 2.8721 2.8806 3.3875 3.3973 3.5291 3.5953 3.6101 3.6736 3.6846 3.6919 3.7489 3.7969 3.8242 3.8305 3.9408 3.9644 4.1304 4.1344 4.1768 4.2944 4.4055 4.4057 4.6345 4.6420 4.8389 4.8594 4.9911 5.0457 5.3259 5.3296 5.5433 5.5484 7.2212 7.2344 7.3062 7.3135 7.6240 7.6375 7.7903 7.7937 8.0046 8.0085 10.0472 10.0489 11.3126 11.3177 k = 0.2439 0.2439-0.0000 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1741 -32.1741 -32.1739 -32.1739 -7.5129 -7.5127 -6.7129 -6.7112 -6.6906 -6.6888 -6.5802 -6.5796 0.4760 0.4804 0.5336 0.5355 1.2665 1.2674 1.4219 1.4295 1.7874 1.8103 1.8483 1.8490 2.0863 2.0863 2.1383 2.1644 2.2783 2.3105 2.5652 2.5752 2.6644 2.6833 2.8901 2.8979 3.3814 3.3898 3.5326 3.5892 3.6060 3.6649 3.6786 3.6805 3.7477 3.7973 3.8272 3.8299 3.9310 3.9523 4.1139 4.1223 4.1936 4.3109 4.4089 4.4121 4.6391 4.6477 4.8711 4.8884 4.9625 5.0149 5.3387 5.3431 5.5382 5.5433 7.2203 7.2329 7.2925 7.2993 7.6193 7.6335 7.7960 7.7980 7.9975 8.0012 9.9668 9.9686 11.2792 11.2836 k = 0.2317 0.2317-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1741 -32.1741 -32.1739 -32.1739 -7.5329 -7.5328 -6.7020 -6.7003 -6.6808 -6.6791 -6.5779 -6.5773 0.4548 0.4589 0.5091 0.5109 1.2424 1.2432 1.4511 1.4588 1.7849 1.8074 1.8446 1.8452 2.1066 2.1069 2.1562 2.1830 2.2853 2.3175 2.5951 2.6056 2.6796 2.6980 2.9071 2.9141 3.3747 3.3810 3.5377 3.5806 3.5993 3.6493 3.6664 3.6860 3.7468 3.7983 3.8291 3.8308 3.9230 3.9403 4.0973 4.1078 4.2128 4.3267 4.4131 4.4198 4.6435 4.6528 4.9038 4.9109 4.9410 4.9839 5.3511 5.3563 5.5338 5.5388 7.2197 7.2313 7.2796 7.2859 7.6147 7.6289 7.8033 7.8044 7.9899 7.9934 9.8854 9.8874 11.2481 11.2517 k = 0.2195 0.2195-0.0000 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1741 -32.1741 -32.1739 -32.1739 -7.5524 -7.5522 -6.6911 -6.6894 -6.6712 -6.6695 -6.5760 -6.5754 0.4338 0.4377 0.4846 0.4865 1.2190 1.2197 1.4797 1.4874 1.7824 1.8044 1.8401 1.8406 2.1275 2.1283 2.1744 2.2015 2.2925 2.3244 2.6254 2.6363 2.6954 2.7134 2.9230 2.9293 3.3674 3.3713 3.5437 3.5692 3.5882 3.6373 3.6565 3.6925 3.7462 3.7989 3.8285 3.8349 3.9170 3.9286 4.0807 4.0925 4.2329 4.3416 4.4184 4.4287 4.6477 4.6575 4.8953 4.9322 4.9578 4.9585 5.3629 5.3687 5.5298 5.5346 7.2191 7.2297 7.2675 7.2733 7.6109 7.6245 7.8116 7.8119 7.9818 7.9852 9.8032 9.8054 11.2193 11.2222 k = 0.2073 0.2073-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1741 -32.1741 -32.1739 -32.1739 -7.5712 -7.5710 -6.6803 -6.6786 -6.6618 -6.6602 -6.5744 -6.5738 0.4133 0.4168 0.4604 0.4623 1.1964 1.1969 1.5074 1.5152 1.7799 1.8014 1.8352 1.8354 2.1488 2.1502 2.1927 2.2197 2.2997 2.3311 2.6559 2.6670 2.7121 2.7292 2.9378 2.9434 3.3595 3.3608 3.5462 3.5588 3.5720 3.6299 3.6495 3.6995 3.7460 3.7984 3.8284 3.8393 3.9131 3.9173 4.0644 4.0768 4.2536 4.3558 4.4247 4.4385 4.6517 4.6615 4.8675 4.9163 4.9770 4.9896 5.3739 5.3803 5.5259 5.5303 7.2185 7.2278 7.2562 7.2615 7.6087 7.6213 7.8200 7.8201 7.9733 7.9765 9.7205 9.7226 11.1930 11.1951 k = 0.1951 0.1951-0.0000 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1739 -32.1739 -7.5892 -7.5891 -6.6697 -6.6680 -6.6526 -6.6510 -6.5730 -6.5724 0.3932 0.3965 0.4365 0.4384 1.1745 1.1750 1.5342 1.5419 1.7774 1.7983 1.8299 1.8300 2.1700 2.1721 2.2109 2.2375 2.3071 2.3376 2.6864 2.6976 2.7295 2.7457 2.9514 2.9564 3.3496 3.3511 3.5321 3.5522 3.5628 3.6257 3.6453 3.7068 3.7463 3.7960 3.8295 3.8438 3.9068 3.9113 4.0483 4.0609 4.2747 4.3692 4.4319 4.4494 4.6555 4.6650 4.8393 4.8865 5.0113 5.0226 5.3840 5.3910 5.5219 5.5258 7.2176 7.2256 7.2457 7.2506 7.6086 7.6200 7.8281 7.8285 7.9646 7.9677 9.6373 9.6395 11.1691 11.1705 k = 0.1829 0.1829-0.0000 ( 6104 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1739 -32.1739 -7.6064 -7.6064 -6.6593 -6.6576 -6.6437 -6.6421 -6.5719 -6.5713 0.3738 0.3768 0.4132 0.4151 1.1536 1.1540 1.5599 1.5676 1.7750 1.7953 1.8242 1.8248 2.1908 2.1936 2.2290 2.2547 2.3144 2.3437 2.7166 2.7280 2.7480 2.7627 2.9639 2.9682 3.3380 3.3420 3.5119 3.5301 3.5708 3.6233 3.6434 3.7141 3.7472 3.7916 3.8321 3.8484 3.8971 3.9112 4.0326 4.0453 4.2962 4.3820 4.4398 4.4610 4.6591 4.6679 4.8120 4.8567 5.0468 5.0564 5.3929 5.4004 5.5177 5.5210 7.2163 7.2229 7.2361 7.2405 7.6111 7.6210 7.8360 7.8365 7.9558 7.9587 9.5540 9.5560 11.1477 11.1484 k = 0.1707 0.1707-0.0000 ( 6096 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1739 -32.1739 -7.6228 -7.6227 -6.6491 -6.6476 -6.6350 -6.6336 -6.5710 -6.5704 0.3551 0.3579 0.3906 0.3924 1.1336 1.1339 1.5845 1.5920 1.7726 1.7922 1.8186 1.8196 2.2110 2.2146 2.2469 2.2713 2.3217 2.3496 2.7461 2.7580 2.7677 2.7804 2.9752 2.9790 3.3261 3.3325 3.4895 3.5068 3.5792 3.6218 3.6435 3.7210 3.7488 3.7858 3.8358 3.8526 3.8885 3.9125 4.0173 4.0301 4.3180 4.3944 4.4484 4.4733 4.6625 4.6699 4.7863 4.8280 5.0827 5.0906 5.4006 5.4085 5.5131 5.5158 7.2146 7.2197 7.2273 7.2312 7.6164 7.6248 7.8432 7.8438 7.9470 7.9497 9.4706 9.4726 11.1287 11.1288 k = 0.1585 0.1585-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1739 -32.1739 -7.6383 -7.6382 -6.6394 -6.6379 -6.6267 -6.6254 -6.5703 -6.5698 0.3372 0.3398 0.3688 0.3706 1.1146 1.1149 1.6078 1.6151 1.7704 1.7892 1.8132 1.8146 2.2302 2.2347 2.2643 2.2869 2.3291 2.3551 2.7740 2.7875 2.7894 2.7988 2.9855 2.9888 3.3140 3.3225 3.4659 3.4825 3.5872 3.6208 3.6454 3.7270 3.7513 3.7791 3.8403 3.8561 3.8815 3.9149 4.0026 4.0155 4.3399 4.4064 4.4576 4.4861 4.6654 4.6706 4.7630 4.8007 5.1186 5.1250 5.4069 5.4152 5.5084 5.5104 7.2123 7.2156 7.2197 7.2226 7.6248 7.6316 7.8497 7.8502 7.9384 7.9408 9.3876 9.3894 11.1117 11.1122 k = 0.1463 0.1463-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6528 -7.6528 -6.6300 -6.6286 -6.6189 -6.6175 -6.5698 -6.5692 0.3203 0.3226 0.3480 0.3497 1.0967 1.0969 1.6297 1.6367 1.7681 1.7861 1.8081 1.8098 2.2485 2.2538 2.2812 2.3016 2.3364 2.3603 2.7992 2.8141 2.8162 2.8178 2.9947 2.9975 3.3017 3.3120 3.4414 3.4577 3.5943 3.6202 3.6489 3.7318 3.7545 3.7721 3.8451 3.8580 3.8770 3.9179 3.9883 4.0017 4.3619 4.4180 4.4671 4.4992 4.6676 4.6692 4.7430 4.7755 5.1541 5.1591 5.4117 5.4202 5.5034 5.5047 7.2094 7.2101 7.2136 7.2150 7.6364 7.6417 7.8552 7.8558 7.9300 7.9322 9.3053 9.3069 11.0971 11.0981 k = 0.1341 0.1341-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1738 -32.1738 -7.6663 -7.6663 -6.6212 -6.6199 -6.6114 -6.6102 -6.5694 -6.5689 0.3044 0.3064 0.3283 0.3299 1.0800 1.0801 1.6501 1.6568 1.7660 1.7830 1.8034 1.8053 2.2655 2.2715 2.2975 2.3151 2.3438 2.3651 2.8225 2.8373 2.8407 2.8440 3.0029 3.0053 3.2893 3.3012 3.4163 3.4324 3.6002 3.6197 3.6540 3.7354 3.7581 3.7652 3.8501 3.8577 3.8756 3.9215 3.9748 3.9890 4.3836 4.4293 4.4770 4.5123 4.6646 4.6684 4.7278 4.7530 5.1888 5.1926 5.4150 5.4236 5.4983 5.4990 7.2040 7.2056 7.2083 7.2087 7.6510 7.6550 7.8598 7.8603 7.9220 7.9240 9.2239 9.2253 11.0849 11.0862 k = 0.1220 0.1220-0.0000 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.6788 -7.6787 -6.6129 -6.6117 -6.6044 -6.6033 -6.5691 -6.5686 0.2896 0.2914 0.3098 0.3113 1.0644 1.0645 1.6690 1.6753 1.7641 1.7799 1.7992 1.8012 2.2812 2.2875 2.3129 2.3276 2.3512 2.3695 2.8453 2.8576 2.8676 2.8708 3.0102 3.0121 3.2768 3.2899 3.3909 3.4068 3.6049 3.6193 3.6605 3.7380 3.7586 3.7613 3.8550 3.8563 3.8764 3.9252 3.9618 3.9777 4.4048 4.4402 4.4871 4.5253 4.6559 4.6667 4.7182 4.7345 5.2225 5.2252 5.4168 5.4252 5.4934 5.4935 7.1982 7.2007 7.2032 7.2038 7.6687 7.6715 7.8633 7.8637 7.9145 7.9163 9.1440 9.1451 11.0749 11.0766 k = 0.1098 0.1098-0.0000 ( 6104 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.6902 -7.6901 -6.6052 -6.6042 -6.5979 -6.5969 -6.5690 -6.5685 0.2759 0.2776 0.2927 0.2941 1.0501 1.0502 1.6862 1.6921 1.7622 1.7767 1.7956 1.7976 2.2955 2.3018 2.3274 2.3390 2.3585 2.3736 2.8683 2.8783 2.8940 2.8965 3.0165 3.0181 3.2645 3.2784 3.3653 3.3809 3.6086 3.6190 3.6680 3.7401 3.7525 3.7635 3.8553 3.8597 3.8777 3.9291 3.9497 3.9680 4.4249 4.4504 4.4974 4.5380 4.6442 4.6611 4.7136 4.7217 5.2546 5.2564 5.4171 5.4252 5.4884 5.4887 7.1930 7.1954 7.1987 7.1989 7.6891 7.6910 7.8658 7.8661 7.9076 7.9093 9.0661 9.0670 11.0670 11.0690 k = 0.0976 0.0976-0.0000 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.7004 -7.7004 -6.5982 -6.5973 -6.5920 -6.5910 -6.5688 -6.5684 0.2636 0.2650 0.2771 0.2784 1.0372 1.0372 1.7016 1.7070 1.7606 1.7736 1.7926 1.7945 2.3083 2.3142 2.3408 2.3495 2.3656 2.3774 2.8916 2.8995 2.9193 2.9209 3.0221 3.0233 3.2523 3.2667 3.3398 3.3549 3.6114 3.6188 3.6761 3.7416 3.7472 3.7643 3.8555 3.8640 3.8785 3.9327 3.9383 3.9602 4.4433 4.4599 4.5082 4.5501 4.6317 4.6515 4.7121 4.7149 5.2846 5.2857 5.4161 5.4235 5.4841 5.4846 7.1884 7.1905 7.1941 7.1944 7.7118 7.7130 7.8674 7.8676 7.9015 7.9031 8.9908 8.9915 11.0611 11.0632 k = 0.0854 0.0854-0.0000 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1738 -32.1738 -7.7096 -7.7096 -6.5920 -6.5912 -6.5866 -6.5857 -6.5688 -6.5684 0.2525 0.2538 0.2631 0.2642 1.0256 1.0257 1.7152 1.7200 1.7591 1.7705 1.7903 1.7920 2.3195 2.3246 2.3529 2.3592 2.3723 2.3808 2.9152 2.9210 2.9433 2.9439 3.0268 3.0278 3.2403 3.2547 3.3144 3.3291 3.6136 3.6187 3.6845 3.7427 3.7428 3.7638 3.8569 3.8679 3.8785 3.9272 3.9367 3.9545 4.4590 4.4684 4.5196 4.5613 4.6200 4.6395 4.7121 4.7126 5.3121 5.3125 5.4141 5.4206 5.4807 5.4812 7.1844 7.1863 7.1895 7.1901 7.7364 7.7370 7.8681 7.8682 7.8963 7.8977 8.9190 8.9195 11.0569 11.0591 k = 0.0732 0.0732-0.0000 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7175 -7.7175 -6.5865 -6.5860 -6.5819 -6.5810 -6.5687 -6.5683 0.2428 0.2439 0.2507 0.2517 1.0155 1.0156 1.7269 1.7310 1.7578 1.7676 1.7888 1.7901 2.3292 2.3330 2.3637 2.3681 2.3784 2.3839 2.9388 2.9427 2.9653 2.9658 3.0308 3.0316 3.2287 3.2428 3.2895 3.3034 3.6153 3.6186 3.6929 3.7392 3.7433 3.7620 3.8594 3.8713 3.8776 3.9173 3.9399 3.9509 4.4714 4.4757 4.5317 4.5714 4.6101 4.6275 4.7126 4.7129 5.3362 5.3363 5.4113 5.4168 5.4783 5.4787 7.1811 7.1826 7.1853 7.1860 7.7620 7.7622 7.8681 7.8681 7.8920 7.8932 8.8515 8.8518 11.0542 11.0563 k = 0.0610 0.0610-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7243 -7.7243 -6.5819 -6.5815 -6.5777 -6.5770 -6.5687 -6.5683 0.2346 0.2355 0.2401 0.2410 1.0069 1.0069 1.7365 1.7399 1.7568 1.7649 1.7879 1.7889 2.3372 2.3398 2.3730 2.3760 2.3836 2.3868 2.9623 2.9643 2.9849 2.9864 3.0341 3.0347 3.2177 3.2310 3.2653 3.2783 3.6166 3.6185 3.7011 3.7367 3.7434 3.7593 3.8624 3.8739 3.8763 3.9082 3.9428 3.9489 4.4801 4.4815 4.5445 4.5801 4.6023 4.6167 4.7136 4.7141 5.3564 5.3567 5.4081 5.4125 5.4771 5.4773 7.1783 7.1795 7.1815 7.1823 7.7875 7.7875 7.8677 7.8678 7.8886 7.8897 8.7896 8.7898 11.0527 11.0546 k = 0.0488 0.0488-0.0000 ( 6084 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7299 -7.7299 -6.5783 -6.5780 -6.5742 -6.5736 -6.5685 -6.5682 0.2278 0.2285 0.2314 0.2321 0.9998 0.9998 1.7440 1.7467 1.7560 1.7625 1.7877 1.7883 2.3436 2.3450 2.3807 2.3827 2.3880 2.3894 2.9850 2.9853 3.0025 3.0047 3.0367 3.0373 3.2076 3.2196 3.2423 3.2541 3.6175 3.6185 3.7091 3.7351 3.7429 3.7559 3.8655 3.8751 3.8759 3.8999 3.9452 3.9482 4.4856 4.4857 4.5570 4.5869 4.5968 4.6079 4.7150 4.7154 5.3725 5.3730 5.4049 5.4083 5.4770 5.4771 7.1760 7.1770 7.1783 7.1790 7.8113 7.8114 7.8677 7.8677 7.8861 7.8870 8.7348 8.7350 11.0523 11.0544 k = 0.0366 0.0366-0.0000 ( 6072 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7343 -7.7343 -6.5756 -6.5754 -6.5714 -6.5709 -6.5683 -6.5680 0.2225 0.2230 0.2245 0.2250 0.9942 0.9942 1.7495 1.7515 1.7556 1.7604 1.7881 1.7884 2.3483 2.3490 2.3869 2.3882 2.3913 2.3916 3.0051 3.0061 3.0177 3.0201 3.0388 3.0393 3.1989 3.2089 3.2214 3.2315 3.6181 3.6185 3.7168 3.7345 3.7418 3.7520 3.8685 3.8745 3.8772 3.8926 3.9471 3.9483 4.4885 4.4887 4.5687 4.5917 4.5934 4.6013 4.7164 4.7166 5.3845 5.3850 5.4021 5.4045 5.4779 5.4780 7.1744 7.1751 7.1757 7.1763 7.8311 7.8312 7.8691 7.8691 7.8843 7.8849 8.6889 8.6890 11.0521 11.0534 k = 0.0244 0.0244-0.0000 ( 6052 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7374 -7.7374 -6.5738 -6.5738 -6.5693 -6.5689 -6.5680 -6.5677 0.2187 0.2191 0.2196 0.2200 0.9902 0.9902 1.7532 1.7544 1.7555 1.7586 1.7887 1.7888 2.3517 2.3519 2.3914 2.3921 2.3934 2.3936 3.0223 3.0240 3.0296 3.0319 3.0404 3.0409 3.1923 3.1997 3.2041 3.2117 3.6185 3.6186 3.7241 3.7347 3.7404 3.7476 3.8711 3.8748 3.8778 3.8863 3.9484 3.9488 4.4901 4.4902 4.5786 4.5916 4.5941 4.5967 4.7175 4.7176 5.3925 5.3929 5.3999 5.4015 5.4793 5.4793 7.1732 7.1737 7.1739 7.1743 7.8437 7.8438 7.8736 7.8736 7.8831 7.8835 8.6539 8.6539 11.0523 11.0538 k = 0.0122 0.0122-0.0000 ( 6042 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7392 -7.7392 -6.5729 -6.5729 -6.5680 -6.5678 -6.5676 -6.5675 0.2165 0.2166 0.2167 0.2169 0.9879 0.9879 1.7552 1.7557 1.7559 1.7572 1.7893 1.7893 2.3536 2.3536 2.3941 2.3945 2.3947 2.3949 3.0348 3.0362 3.0374 3.0387 3.0421 3.0425 3.1888 3.1926 3.1928 3.1968 3.6187 3.6187 3.7309 3.7356 3.7387 3.7426 3.8737 3.8758 3.8776 3.8811 3.9492 3.9492 4.4908 4.4908 4.5864 4.5912 4.5933 4.5945 4.7183 4.7183 5.3970 5.3972 5.3987 5.3995 5.4806 5.4806 7.1726 7.1728 7.1728 7.1730 7.8490 7.8490 7.8796 7.8796 7.8824 7.8826 8.6319 8.6319 11.0523 11.0541 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7399 -7.7399 -6.5726 -6.5726 -6.5675 -6.5675 -6.5675 -6.5675 0.2158 0.2158 0.2158 0.2158 0.9870 0.9870 1.7562 1.7562 1.7562 1.7562 1.7895 1.7895 2.3542 2.3542 2.3952 2.3952 2.3952 2.3952 3.0397 3.0397 3.0397 3.0397 3.0440 3.0440 3.1893 3.1893 3.1893 3.1893 3.6187 3.6187 3.7370 3.7370 3.7370 3.7370 3.8769 3.8769 3.8769 3.8769 3.9494 3.9494 4.4910 4.4910 4.5917 4.5917 4.5917 4.5917 4.7185 4.7185 5.3985 5.3985 5.3985 5.3985 5.4811 5.4811 7.1725 7.1725 7.1725 7.1725 7.8502 7.8502 7.8823 7.8823 7.8823 7.8823 8.6243 8.6243 11.0515 11.0530 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7399 -7.7399 -6.5726 -6.5726 -6.5675 -6.5675 -6.5675 -6.5675 0.2158 0.2158 0.2158 0.2158 0.9870 0.9870 1.7562 1.7562 1.7562 1.7562 1.7895 1.7895 2.3542 2.3542 2.3952 2.3952 2.3952 2.3952 3.0397 3.0397 3.0397 3.0397 3.0440 3.0440 3.1893 3.1893 3.1893 3.1893 3.6187 3.6187 3.7370 3.7370 3.7370 3.7370 3.8769 3.8769 3.8769 3.8769 3.9494 3.9494 4.4910 4.4910 4.5917 4.5917 4.5917 4.5917 4.7185 4.7185 5.3985 5.3985 5.3985 5.3985 5.4811 5.4811 7.1725 7.1725 7.1725 7.1725 7.8502 7.8502 7.8823 7.8823 7.8823 7.8823 8.6243 8.6243 11.0515 11.0515 k = 0.0098 0.0098 0.0098 ( 6043 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7393 -7.7393 -6.5728 -6.5728 -6.5679 -6.5677 -6.5677 -6.5676 0.2165 0.2166 0.2166 0.2168 0.9878 0.9878 1.7555 1.7557 1.7557 1.7572 1.7893 1.7893 2.3536 2.3536 2.3942 2.3947 2.3947 2.3947 3.0355 3.0375 3.0375 3.0375 3.0419 3.0419 3.1895 3.1925 3.1925 3.1961 3.6187 3.6187 3.7307 3.7372 3.7372 3.7427 3.8738 3.8767 3.8767 3.8811 3.9492 3.9492 4.4908 4.4908 4.5863 4.5924 4.5924 4.5945 4.7183 4.7183 5.3971 5.3971 5.3987 5.3995 5.4806 5.4806 7.1726 7.1728 7.1728 7.1730 7.8490 7.8490 7.8796 7.8796 7.8825 7.8827 8.6316 8.6316 11.0524 11.0524 k = 0.0196 0.0196 0.0196 ( 6055 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7374 -7.7374 -6.5736 -6.5736 -6.5689 -6.5684 -6.5684 -6.5684 0.2190 0.2192 0.2192 0.2195 0.9902 0.9902 1.7540 1.7540 1.7551 1.7586 1.7888 1.7888 2.3519 2.3519 2.3918 2.3927 2.3931 2.3931 3.0261 3.0290 3.0299 3.0299 3.0375 3.0375 3.1963 3.2013 3.2013 3.2084 3.6186 3.6186 3.7238 3.7377 3.7377 3.7475 3.8719 3.8759 3.8759 3.8863 3.9486 3.9486 4.4901 4.4901 4.5781 4.5944 4.5944 4.5944 4.7176 4.7176 5.3926 5.3926 5.4001 5.4017 5.4794 5.4794 7.1733 7.1737 7.1737 7.1741 7.8438 7.8438 7.8738 7.8738 7.8833 7.8837 8.6530 8.6530 11.0548 11.0561 k = 0.0294 0.0294 0.0294 ( 6079 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7344 -7.7344 -6.5750 -6.5750 -6.5704 -6.5697 -6.5695 -6.5695 0.2231 0.2235 0.2235 0.2240 0.9940 0.9940 1.7510 1.7510 1.7550 1.7602 1.7882 1.7882 2.3489 2.3489 2.3880 2.3893 2.3905 2.3905 3.0133 3.0158 3.0176 3.0176 3.0315 3.0315 3.2083 3.2141 3.2141 3.2246 3.6183 3.6183 3.7165 3.7385 3.7385 3.7515 3.8712 3.8747 3.8747 3.8923 3.9477 3.9477 4.4885 4.4885 4.5674 4.5918 4.5982 4.5982 4.7166 4.7166 5.3844 5.3844 5.4024 5.4050 5.4782 5.4782 7.1747 7.1753 7.1753 7.1758 7.8311 7.8311 7.8697 7.8697 7.8846 7.8853 8.6869 8.6869 11.0583 11.0587 k = 0.0392 0.0392 0.0392 ( 6079 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7302 -7.7302 -6.5768 -6.5768 -6.5725 -6.5716 -6.5711 -6.5711 0.2290 0.2294 0.2294 0.2301 0.9994 0.9994 1.7464 1.7464 1.7553 1.7622 1.7878 1.7878 2.3449 2.3449 2.3827 2.3845 2.3870 2.3870 2.9985 2.9997 3.0026 3.0026 3.0233 3.0233 3.2238 3.2295 3.2295 3.2431 3.6181 3.6181 3.7088 3.7396 3.7396 3.7546 3.8720 3.8730 3.8730 3.8991 3.9466 3.9466 4.4856 4.4856 4.5546 4.5868 4.6043 4.6043 4.7154 4.7154 5.3718 5.3718 5.4057 5.4093 5.4776 5.4776 7.1767 7.1776 7.1776 7.1782 7.8110 7.8110 7.8691 7.8691 7.8865 7.8874 8.7314 8.7314 11.0631 11.0637 k = 0.0490 0.0490 0.0490 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7248 -7.7248 -6.5792 -6.5792 -6.5752 -6.5740 -6.5731 -6.5731 0.2365 0.2370 0.2370 0.2379 1.0062 1.0062 1.7400 1.7400 1.7558 1.7644 1.7878 1.7878 2.3397 2.3397 2.3761 2.3782 2.3826 2.3826 2.9819 2.9825 2.9861 2.9861 3.0130 3.0130 3.2416 3.2466 3.2466 3.2631 3.6177 3.6177 3.7008 3.7410 3.7410 3.7568 3.8709 3.8709 3.8743 3.9066 3.9454 3.9454 4.4809 4.4809 4.5398 4.5797 4.6129 4.6129 4.7143 4.7143 5.3546 5.3546 5.4096 5.4143 5.4781 5.4781 7.1794 7.1805 7.1805 7.1812 7.7865 7.7865 7.8706 7.8706 7.8890 7.8900 8.7843 8.7843 11.0694 11.0694 k = 0.0588 0.0588 0.0588 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7182 -7.7182 -6.5822 -6.5822 -6.5784 -6.5770 -6.5755 -6.5755 0.2455 0.2462 0.2462 0.2472 1.0146 1.0146 1.7316 1.7316 1.7567 1.7670 1.7883 1.7883 2.3332 2.3332 2.3680 2.3705 2.3773 2.3773 2.9631 2.9660 2.9688 2.9688 3.0004 3.0004 3.2608 3.2646 3.2646 3.2840 3.6172 3.6172 3.6923 3.7425 3.7425 3.7579 3.8683 3.8683 3.8780 3.9147 3.9442 3.9442 4.4745 4.4745 4.5235 4.5708 4.6238 4.6238 4.7137 4.7137 5.3326 5.3326 5.4140 5.4199 5.4796 5.4796 7.1827 7.1840 7.1840 7.1849 7.7600 7.7600 7.8732 7.8732 7.8919 7.8931 8.8439 8.8439 11.0774 11.0775 k = 0.0686 0.0686 0.0686 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7105 -7.7105 -6.5856 -6.5856 -6.5821 -6.5805 -6.5783 -6.5783 0.2562 0.2569 0.2569 0.2581 1.0243 1.0243 1.7213 1.7213 1.7578 1.7698 1.7894 1.7894 2.3256 2.3256 2.3586 2.3614 2.3712 2.3712 2.9440 2.9493 2.9510 2.9510 2.9857 2.9857 3.2811 3.2832 3.2832 3.3053 3.6166 3.6166 3.6837 3.7441 3.7441 3.7582 3.8655 3.8655 3.8830 3.9233 3.9432 3.9432 4.4663 4.4663 4.5061 4.5606 4.6364 4.6364 4.7143 4.7143 5.3065 5.3065 5.4187 5.4259 5.4821 5.4821 7.1866 7.1882 7.1882 7.1891 7.7331 7.7331 7.8765 7.8765 7.8952 7.8965 8.9084 8.9084 11.0875 11.0875 k = 0.0784 0.0784 0.0784 ( 6103 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1738 -32.1738 -32.1738 -32.1738 -7.7016 -7.7016 -6.5896 -6.5896 -6.5864 -6.5845 -6.5814 -6.5814 0.2682 0.2690 0.2690 0.2705 1.0354 1.0354 1.7090 1.7090 1.7593 1.7728 1.7909 1.7909 2.3167 2.3167 2.3478 2.3509 2.3644 2.3644 2.9248 2.9326 2.9332 2.9332 2.9688 2.9688 3.3020 3.3020 3.3021 3.3269 3.6159 3.6159 3.6747 3.7458 3.7458 3.7577 3.8625 3.8625 3.8891 3.9324 3.9426 3.9426 4.4569 4.4569 4.4880 4.5494 4.6492 4.6492 4.7175 4.7175 5.2763 5.2763 5.4234 5.4320 5.4852 5.4852 7.1912 7.1930 7.1930 7.1940 7.7067 7.7067 7.8804 7.8804 7.8988 7.9003 8.9767 8.9767 11.0998 11.0998 k = 0.0882 0.0882 0.0882 ( 6085 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1739 -32.1739 -7.6915 -7.6915 -6.5941 -6.5941 -6.5911 -6.5890 -6.5848 -6.5848 0.2817 0.2825 0.2825 0.2843 1.0477 1.0477 1.6951 1.6951 1.7610 1.7762 1.7929 1.7929 2.3066 2.3066 2.3358 2.3391 2.3569 2.3569 2.9059 2.9155 2.9155 2.9162 2.9499 2.9499 3.3208 3.3208 3.3236 3.3484 3.6151 3.6151 3.6656 3.7472 3.7472 3.7566 3.8594 3.8594 3.8963 3.9419 3.9424 3.9424 4.4465 4.4465 4.4696 4.5375 4.6597 4.6597 4.7255 4.7255 5.2429 5.2429 5.4280 5.4380 5.4886 5.4886 7.1965 7.1984 7.1984 7.1995 7.6815 7.6815 7.8847 7.8847 7.9028 7.9043 9.0475 9.0475 11.1145 11.1145 k = 0.0980 0.0980 0.0980 ( 6085 PWs) bands (ev): -58.5702 -58.5702 -32.9988 -32.9988 -32.1739 -32.1739 -32.1739 -32.1739 -7.6804 -7.6804 -6.5991 -6.5991 -6.5962 -6.5939 -6.5886 -6.5886 0.2964 0.2973 0.2973 0.2993 1.0612 1.0612 1.6794 1.6794 1.7631 1.7797 1.7953 1.7953 2.2952 2.2952 2.3225 2.3259 2.3489 2.3489 2.8873 2.8980 2.8980 2.9000 2.9291 2.9291 3.3394 3.3394 3.3454 3.3698 3.6142 3.6142 3.6562 3.7484 3.7484 3.7550 3.8563 3.8563 3.9042 3.9428 3.9428 3.9516 4.4355 4.4355 4.4512 4.5255 4.6658 4.6658 4.7401 4.7401 5.2066 5.2066 5.4324 5.4438 5.4921 5.4921 7.2024 7.2045 7.2045 7.2056 7.6581 7.6581 7.8894 7.8894 7.9069 7.9085 9.1198 9.1198 11.1318 11.1318 k = 0.1078 0.1078 0.1078 ( 6097 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6683 -7.6683 -6.6046 -6.6046 -6.6018 -6.5993 -6.5927 -6.5927 0.3123 0.3133 0.3133 0.3155 1.0758 1.0758 1.6621 1.6621 1.7653 1.7835 1.7980 1.7980 2.2827 2.2827 2.3081 2.3115 2.3404 2.3404 2.8691 2.8808 2.8808 2.8842 2.9064 2.9064 3.3576 3.3576 3.3673 3.3907 3.6132 3.6132 3.6467 3.7490 3.7490 3.7531 3.8532 3.8532 3.9127 3.9439 3.9439 3.9616 4.4244 4.4244 4.4334 4.5135 4.6677 4.6677 4.7609 4.7609 5.1679 5.1679 5.4364 5.4492 5.4955 5.4955 7.2089 7.2111 7.2111 7.2124 7.6368 7.6368 7.8943 7.8943 7.9113 7.9128 9.1926 9.1926 11.1516 11.1516 k = 0.1176 0.1176 0.1176 ( 6097 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6550 -7.6550 -6.6104 -6.6104 -6.6078 -6.6051 -6.5970 -6.5970 0.3293 0.3303 0.3303 0.3328 1.0913 1.0913 1.6433 1.6433 1.7679 1.7874 1.8009 1.8009 2.2691 2.2691 2.2927 2.2960 2.3314 2.3314 2.8514 2.8638 2.8638 2.8688 2.8822 2.8822 3.3753 3.3753 3.3893 3.4113 3.6120 3.6120 3.6371 3.7492 3.7492 3.7511 3.8505 3.8505 3.9216 3.9457 3.9457 3.9716 4.4135 4.4135 4.4163 4.5019 4.6667 4.6667 4.7863 4.7863 5.1272 5.1272 5.4400 5.4542 5.4987 5.4987 7.2160 7.2184 7.2184 7.2197 7.6178 7.6178 7.8994 7.8994 7.9158 7.9173 9.2652 9.2652 11.1713 11.1713 k = 0.1275 0.1275 0.1275 ( 6103 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6408 -7.6408 -6.6167 -6.6167 -6.6142 -6.6113 -6.6017 -6.6017 0.3472 0.3482 0.3482 0.3511 1.1077 1.1077 1.6230 1.6230 1.7706 1.7915 1.8042 1.8042 2.2544 2.2544 2.2763 2.2794 2.3220 2.3220 2.8344 2.8466 2.8466 2.8537 2.8572 2.8572 3.3925 3.3925 3.4112 3.4312 3.6109 3.6109 3.6276 3.7486 3.7486 3.7490 3.8481 3.8481 3.9307 3.9483 3.9483 3.9817 4.4005 4.4031 4.4031 4.4910 4.6639 4.6639 4.8149 4.8149 5.0850 5.0850 5.4432 5.4587 5.5017 5.5017 7.2238 7.2262 7.2262 7.2275 7.6013 7.6013 7.9048 7.9048 7.9204 7.9218 9.3368 9.3368 11.1892 11.1897 k = 0.1373 0.1373 0.1373 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6256 -7.6256 -6.6233 -6.6233 -6.6209 -6.6179 -6.6066 -6.6066 0.3659 0.3669 0.3669 0.3701 1.1247 1.1247 1.6014 1.6014 1.7736 1.7958 1.8076 1.8076 2.2389 2.2389 2.2592 2.2620 2.3124 2.3124 2.8179 2.8251 2.8251 2.8356 2.8356 2.8391 3.4089 3.4089 3.4331 3.4504 3.6097 3.6097 3.6181 3.7471 3.7476 3.7476 3.8461 3.8461 3.9397 3.9518 3.9518 3.9917 4.3861 4.3935 4.3935 4.4811 4.6599 4.6599 4.8461 4.8461 5.0416 5.0416 5.4459 5.4627 5.5043 5.5043 7.2321 7.2345 7.2345 7.2360 7.5874 7.5874 7.9103 7.9103 7.9252 7.9265 9.4067 9.4067 11.2076 11.2077 k = 0.1471 0.1471 0.1471 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1739 -32.1739 -32.1739 -32.1739 -7.6095 -7.6095 -6.6302 -6.6302 -6.6280 -6.6248 -6.6118 -6.6118 0.3852 0.3863 0.3863 0.3898 1.1422 1.1422 1.5788 1.5788 1.7768 1.8002 1.8112 1.8112 2.2227 2.2227 2.2415 2.2439 2.3024 2.3024 2.7977 2.7977 2.8021 2.8192 2.8192 2.8250 3.4244 3.4244 3.4546 3.4687 3.6085 3.6085 3.6088 3.7455 3.7459 3.7459 3.8444 3.8444 3.9485 3.9562 3.9562 4.0016 4.3735 4.3848 4.3848 4.4724 4.6549 4.6549 4.8791 4.8791 4.9975 4.9975 5.4482 5.4661 5.5066 5.5066 7.2410 7.2433 7.2433 7.2449 7.5761 7.5761 7.9160 7.9160 7.9301 7.9312 9.4743 9.4743 11.2262 11.2263 k = 0.1569 0.1569 0.1569 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1740 -32.1740 -7.5925 -7.5925 -6.6375 -6.6375 -6.6353 -6.6320 -6.6172 -6.6172 0.4051 0.4061 0.4061 0.4100 1.1598 1.1598 1.5550 1.5550 1.7801 1.8046 1.8149 1.8149 2.2061 2.2061 2.2233 2.2253 2.2923 2.2923 2.7683 2.7683 2.7868 2.8044 2.8044 2.8112 3.4389 3.4389 3.4758 3.4861 3.5997 3.6073 3.6073 3.7439 3.7439 3.7443 3.8430 3.8430 3.9569 3.9614 3.9614 4.0110 4.3628 4.3772 4.3772 4.4650 4.6490 4.6490 4.9124 4.9124 4.9543 4.9543 5.4501 5.4691 5.5086 5.5086 7.2504 7.2526 7.2526 7.2543 7.5676 7.5676 7.9218 7.9218 7.9351 7.9360 9.5389 9.5389 11.2448 11.2451 k = 0.1667 0.1667 0.1667 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9989 -32.9989 -32.1740 -32.1740 -32.1740 -32.1740 -7.5746 -7.5746 -6.6450 -6.6450 -6.6428 -6.6394 -6.6228 -6.6228 0.4252 0.4263 0.4263 0.4306 1.1773 1.1773 1.5306 1.5306 1.7836 1.8091 1.8187 1.8187 2.1891 2.1891 2.2050 2.2065 2.2820 2.2820 2.7379 2.7379 2.7722 2.7904 2.7904 2.7978 3.4522 3.4522 3.4964 3.5023 3.5911 3.6062 3.6062 3.7417 3.7417 3.7436 3.8417 3.8417 3.9646 3.9673 3.9673 4.0201 4.3543 4.3708 4.3708 4.4590 4.6422 4.6422 4.9042 4.9042 4.9539 4.9539 5.4519 5.4717 5.5105 5.5105 7.2602 7.2623 7.2623 7.2641 7.5619 7.5619 7.9279 7.9279 7.9403 7.9409 9.6002 9.6002 11.2635 11.2647 k = 0.1765 0.1765 0.1765 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1740 -32.1740 -32.1740 -32.1740 -7.5560 -7.5560 -6.6527 -6.6527 -6.6506 -6.6471 -6.6286 -6.6286 0.4455 0.4465 0.4465 0.4513 1.1942 1.1942 1.5058 1.5058 1.7871 1.8135 1.8226 1.8226 2.1721 2.1721 2.1868 2.1877 2.2715 2.2715 2.7069 2.7069 2.7581 2.7770 2.7770 2.7848 3.4643 3.4643 3.5161 3.5173 3.5834 3.6053 3.6053 3.7394 3.7394 3.7438 3.8407 3.8407 3.9716 3.9739 3.9739 4.0287 4.3481 4.3657 4.3657 4.4546 4.6346 4.6346 4.8606 4.8606 4.9904 4.9904 5.4536 5.4742 5.5124 5.5124 7.2705 7.2724 7.2724 7.2743 7.5589 7.5589 7.9341 7.9341 7.9456 7.9459 9.6577 9.6577 11.2820 11.2837 k = 0.1863 0.1863 0.1863 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1740 -32.1740 -32.1740 -32.1740 -7.5366 -7.5366 -6.6606 -6.6606 -6.6585 -6.6549 -6.6346 -6.6346 0.4658 0.4668 0.4668 0.4719 1.2099 1.2099 1.4813 1.4813 1.7908 1.8180 1.8264 1.8264 2.1553 2.1553 2.1687 2.1691 2.2610 2.2610 2.6757 2.6757 2.7446 2.7642 2.7642 2.7721 3.4750 3.4750 3.5309 3.5341 3.5773 3.6046 3.6046 3.7374 3.7374 3.7447 3.8398 3.8398 3.9777 3.9810 3.9810 4.0367 4.3441 4.3617 4.3617 4.4518 4.6261 4.6261 4.8164 4.8164 5.0292 5.0292 5.4554 5.4765 5.5143 5.5143 7.2811 7.2828 7.2828 7.2848 7.5586 7.5586 7.9405 7.9405 7.9511 7.9512 9.7112 9.7112 11.2998 11.3019 k = 0.1961 0.1961 0.1961 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1740 -32.1740 -32.1740 -32.1740 -7.5165 -7.5165 -6.6686 -6.6686 -6.6666 -6.6629 -6.6407 -6.6407 0.4858 0.4868 0.4868 0.4924 1.2234 1.2234 1.4577 1.4577 1.7945 1.8223 1.8302 1.8302 2.1390 2.1390 2.1509 2.1512 2.2504 2.2504 2.6445 2.6445 2.7316 2.7518 2.7518 2.7598 3.4843 3.4843 3.5433 3.5469 3.5763 3.6043 3.6043 3.7355 3.7355 3.7465 3.8389 3.8389 3.9827 3.9885 3.9885 4.0440 4.3425 4.3588 4.3588 4.4504 4.6165 4.6165 4.7729 4.7729 5.0692 5.0692 5.4574 5.4789 5.5165 5.5165 7.2920 7.2934 7.2934 7.2955 7.5609 7.5609 7.9473 7.9473 7.9565 7.9570 9.7605 9.7605 11.3166 11.3171 k = 0.2059 0.2059 0.2059 ( 6091 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1741 -32.1741 -32.1741 -32.1741 -7.4958 -7.4958 -6.6768 -6.6768 -6.6748 -6.6711 -6.6470 -6.6470 0.5054 0.5063 0.5063 0.5124 1.2331 1.2331 1.4365 1.4365 1.7982 1.8265 1.8339 1.8339 2.1234 2.1234 2.1335 2.1344 2.2397 2.2397 2.6138 2.6138 2.7191 2.7400 2.7400 2.7477 3.4919 3.4919 3.5493 3.5543 3.5857 3.6043 3.6043 3.7340 3.7340 3.7491 3.8381 3.8381 3.9866 3.9960 3.9960 4.0505 4.3428 4.3568 4.3568 4.4504 4.6054 4.6054 4.7309 4.7309 5.1100 5.1100 5.4600 5.4816 5.5191 5.5191 7.3031 7.3043 7.3043 7.3064 7.5659 7.5659 7.9543 7.9543 7.9622 7.9631 9.8056 9.8056 11.3319 11.3331 k = 0.2157 0.2157 0.2157 ( 6085 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1741 -32.1741 -32.1741 -32.1741 -7.4745 -7.4745 -6.6851 -6.6851 -6.6831 -6.6793 -6.6533 -6.6533 0.5243 0.5252 0.5252 0.5317 1.2373 1.2373 1.4196 1.4196 1.8020 1.8305 1.8375 1.8375 2.1087 2.1087 2.1172 2.1185 2.2292 2.2292 2.5837 2.5837 2.7070 2.7286 2.7286 2.7359 3.4981 3.4981 3.5458 3.5640 3.6009 3.6050 3.6050 3.7328 3.7328 3.7527 3.8374 3.8374 3.9895 4.0037 4.0037 4.0563 4.3450 4.3554 4.3554 4.4517 4.5925 4.5925 4.6912 4.6912 5.1517 5.1517 5.4633 5.4849 5.5225 5.5225 7.3144 7.3153 7.3153 7.3174 7.5734 7.5734 7.9617 7.9617 7.9682 7.9696 9.8465 9.8465 11.3453 11.3472 k = 0.2255 0.2255 0.2255 ( 6091 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1741 -32.1741 -32.1741 -32.1741 -7.4527 -7.4527 -6.6934 -6.6934 -6.6915 -6.6876 -6.6598 -6.6598 0.5425 0.5433 0.5433 0.5503 1.2337 1.2337 1.4089 1.4089 1.8057 1.8343 1.8409 1.8409 2.0953 2.0953 2.1020 2.1038 2.2186 2.2186 2.5547 2.5547 2.6953 2.7176 2.7176 2.7244 3.5027 3.5027 3.5411 3.5727 3.6061 3.6061 3.6173 3.7321 3.7321 3.7570 3.8367 3.8367 3.9915 4.0112 4.0112 4.0614 4.3487 4.3542 4.3542 4.4539 4.5768 4.5768 4.6551 4.6551 5.1938 5.1938 5.4676 5.4889 5.5267 5.5267 7.3257 7.3263 7.3263 7.3285 7.5834 7.5834 7.9694 7.9694 7.9746 7.9765 9.8834 9.8834 11.3554 11.3561 k = 0.2353 0.2353 0.2353 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1741 -32.1741 -32.1741 -32.1741 -7.4304 -7.4304 -6.7018 -6.7018 -6.6998 -6.6960 -6.6664 -6.6664 0.5596 0.5604 0.5604 0.5678 1.2216 1.2216 1.4049 1.4049 1.8094 1.8379 1.8442 1.8442 2.0832 2.0832 2.0884 2.0905 2.2082 2.2082 2.5271 2.5271 2.6841 2.7070 2.7070 2.7131 3.5060 3.5060 3.5365 3.5803 3.6079 3.6079 3.6335 3.7317 3.7317 3.7619 3.8360 3.8360 3.9928 4.0185 4.0185 4.0658 4.3526 4.3526 4.3535 4.4569 4.5574 4.5574 4.6242 4.6242 5.2365 5.2365 5.4731 5.4940 5.5321 5.5321 7.3371 7.3374 7.3374 7.3396 7.5958 7.5958 7.9776 7.9776 7.9814 7.9839 9.9163 9.9163 11.3625 11.3657 k = 0.2451 0.2451 0.2451 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1741 -32.1741 -32.1741 -32.1741 -7.4078 -7.4078 -6.7101 -6.7101 -6.7081 -6.7043 -6.6730 -6.6730 0.5756 0.5762 0.5762 0.5842 1.2020 1.2020 1.4066 1.4066 1.8131 1.8413 1.8472 1.8472 2.0728 2.0728 2.0763 2.0787 2.1979 2.1979 2.5013 2.5013 2.6733 2.6968 2.6968 2.7021 3.5081 3.5081 3.5325 3.5872 3.6101 3.6101 3.6491 3.7316 3.7316 3.7672 3.8354 3.8354 3.9933 4.0255 4.0255 4.0694 4.3499 4.3499 4.3589 4.4603 4.5340 4.5340 4.5993 4.5993 5.2795 5.2795 5.4801 5.5004 5.5388 5.5388 7.3484 7.3484 7.3484 7.3506 7.6104 7.6104 7.9862 7.9862 7.9887 7.9917 9.9455 9.9455 11.3643 11.3649 k = 0.2549 0.2549 0.2549 ( 6106 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1742 -32.1742 -32.1742 -32.1742 -7.3849 -7.3849 -6.7184 -6.7184 -6.7164 -6.7126 -6.6797 -6.6797 0.5902 0.5907 0.5907 0.5992 1.1770 1.1770 1.4117 1.4117 1.8169 1.8446 1.8502 1.8502 2.0640 2.0640 2.0660 2.0685 2.1879 2.1879 2.4777 2.4777 2.6628 2.6869 2.6869 2.6913 3.5093 3.5093 3.5291 3.5935 3.6127 3.6127 3.6640 3.7318 3.7318 3.7728 3.8348 3.8348 3.9933 4.0321 4.0321 4.0725 4.3449 4.3449 4.3646 4.4637 4.5090 4.5090 4.5792 4.5792 5.3226 5.3226 5.4889 5.5084 5.5473 5.5473 7.3593 7.3593 7.3596 7.3614 7.6272 7.6272 7.9953 7.9953 7.9964 8.0001 9.9714 9.9714 11.3609 11.3619 k = 0.2647 0.2647 0.2647 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1742 -32.1742 -32.1742 -32.1742 -7.3617 -7.3617 -6.7267 -6.7267 -6.7246 -6.7208 -6.6865 -6.6865 0.6034 0.6038 0.6038 0.6126 1.1485 1.1485 1.4181 1.4181 1.8208 1.8478 1.8532 1.8532 2.0569 2.0569 2.0575 2.0601 2.1780 2.1780 2.4565 2.4565 2.6528 2.6774 2.6774 2.6809 3.5097 3.5097 3.5266 3.5996 3.6157 3.6157 3.6783 3.7321 3.7321 3.7785 3.8343 3.8343 3.9930 4.0383 4.0383 4.0750 4.3364 4.3364 4.3701 4.4670 4.4857 4.4857 4.5618 4.5618 5.3657 5.3657 5.4996 5.5182 5.5576 5.5576 7.3700 7.3700 7.3706 7.3721 7.6460 7.6460 8.0047 8.0049 8.0049 8.0089 9.9940 9.9940 11.3502 11.3509 k = 0.2745 0.2745 0.2745 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1742 -32.1742 -32.1742 -32.1742 -7.3383 -7.3383 -6.7348 -6.7348 -6.7327 -6.7289 -6.6933 -6.6933 0.6149 0.6152 0.6152 0.6245 1.1178 1.1178 1.4245 1.4245 1.8248 1.8512 1.8564 1.8564 2.0507 2.0515 2.0515 2.0533 2.1685 2.1685 2.4382 2.4382 2.6431 2.6682 2.6682 2.6706 3.5097 3.5097 3.5249 3.6054 3.6189 3.6189 3.6917 3.7325 3.7325 3.7841 3.8338 3.8338 3.9925 4.0441 4.0441 4.0771 4.3234 4.3234 4.3751 4.4664 4.4664 4.4697 4.5456 4.5456 5.4087 5.4087 5.5125 5.5300 5.5700 5.5700 7.3806 7.3806 7.3814 7.3826 7.6667 7.6667 8.0134 8.0148 8.0148 8.0183 10.0138 10.0138 11.3321 11.3327 k = 0.2843 0.2843 0.2843 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1742 -32.1742 -32.1742 -32.1742 -7.3148 -7.3148 -6.7428 -6.7428 -6.7406 -6.7369 -6.7001 -6.7001 0.6249 0.6249 0.6249 0.6346 1.0857 1.0857 1.4299 1.4299 1.8291 1.8547 1.8597 1.8597 2.0456 2.0477 2.0477 2.0482 2.1592 2.1592 2.4229 2.4229 2.6337 2.6593 2.6593 2.6606 3.5092 3.5092 3.5240 3.6112 3.6223 3.6223 3.7044 3.7329 3.7329 3.7895 3.8332 3.8332 3.9920 4.0495 4.0495 4.0787 4.3056 4.3056 4.3792 4.4519 4.4519 4.4714 4.5299 4.5299 5.4513 5.4513 5.5276 5.5440 5.5848 5.5848 7.3910 7.3910 7.3919 7.3928 7.6891 7.6891 8.0227 8.0252 8.0252 8.0281 10.0310 10.0310 11.3056 11.3059 k = 0.2941 0.2941 0.2941 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1743 -32.1743 -32.1743 -32.1743 -7.2914 -7.2914 -6.7506 -6.7506 -6.7484 -6.7447 -6.7069 -6.7069 0.6330 0.6330 0.6331 0.6430 1.0529 1.0529 1.4337 1.4337 1.8338 1.8587 1.8635 1.8635 2.0420 2.0447 2.0454 2.0454 2.1502 2.1502 2.4108 2.4108 2.6248 2.6507 2.6507 2.6509 3.5086 3.5086 3.5241 3.6172 3.6257 3.6257 3.7162 3.7333 3.7333 3.7944 3.8326 3.8326 3.9915 4.0544 4.0544 4.0800 4.2843 4.2843 4.3822 4.4413 4.4413 4.4720 4.5143 4.5143 5.4932 5.4932 5.5452 5.5603 5.6021 5.6021 7.4011 7.4011 7.4022 7.4028 7.7131 7.7131 8.0323 8.0359 8.0359 8.0383 10.0458 10.0458 11.2699 11.2702 k = 0.3039 0.3039 0.3039 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1743 -32.1743 -32.1743 -32.1743 -7.2679 -7.2679 -6.7582 -6.7582 -6.7560 -6.7524 -6.7137 -6.7137 0.6393 0.6393 0.6396 0.6496 1.0198 1.0198 1.4355 1.4355 1.8390 1.8631 1.8679 1.8679 2.0397 2.0426 2.0442 2.0442 2.1417 2.1417 2.4021 2.4021 2.6162 2.6415 2.6425 2.6425 3.5078 3.5078 3.5250 3.6233 3.6292 3.6292 3.7272 3.7334 3.7334 3.7988 3.8319 3.8319 3.9911 4.0589 4.0589 4.0810 4.2610 4.2610 4.3837 4.4332 4.4332 4.4712 4.4986 4.4986 5.5343 5.5343 5.5651 5.5790 5.6221 5.6221 7.4110 7.4110 7.4122 7.4125 7.7385 7.7385 8.0424 8.0470 8.0470 8.0488 10.0585 10.0585 11.2252 11.2260 k = 0.3137 0.3137 0.3137 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1743 -32.1743 -32.1743 -32.1743 -7.2446 -7.2446 -6.7656 -6.7656 -6.7633 -6.7598 -6.7205 -6.7205 0.6439 0.6439 0.6445 0.6545 0.9866 0.9866 1.4351 1.4351 1.8447 1.8683 1.8729 1.8729 2.0386 2.0417 2.0440 2.0440 2.1335 2.1335 2.3968 2.3968 2.6080 2.6324 2.6346 2.6346 3.5071 3.5071 3.5269 3.6297 3.6329 3.6329 3.7334 3.7334 3.7376 3.8027 3.8312 3.8312 3.9911 4.0630 4.0630 4.0819 4.2373 4.2373 4.3838 4.4261 4.4261 4.4689 4.4830 4.4830 5.5741 5.5741 5.5875 5.6001 5.6450 5.6450 7.4208 7.4208 7.4220 7.4221 7.7651 7.7651 8.0527 8.0582 8.0582 8.0597 10.0693 10.0693 11.1722 11.1735 k = 0.3235 0.3235 0.3235 ( 6079 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1743 -32.1743 -32.1743 -32.1743 -7.2216 -7.2216 -6.7728 -6.7728 -6.7704 -6.7671 -6.7273 -6.7273 0.6469 0.6469 0.6478 0.6577 0.9538 0.9538 1.4327 1.4327 1.8510 1.8742 1.8786 1.8786 2.0382 2.0419 2.0447 2.0447 2.1259 2.1259 2.3948 2.3948 2.6003 2.6236 2.6270 2.6270 3.5063 3.5063 3.5296 3.6363 3.6365 3.6365 3.7330 3.7330 3.7471 3.8059 3.8301 3.8301 3.9915 4.0667 4.0667 4.0825 4.2143 4.2143 4.3823 4.4190 4.4190 4.4649 4.4676 4.4676 5.6121 5.6123 5.6123 5.6234 5.6710 5.6710 7.4303 7.4303 7.4314 7.4316 7.7927 7.7927 8.0633 8.0695 8.0695 8.0706 10.0786 10.0786 11.1120 11.1136 k = 0.3333 0.3333 0.3333 ( 6079 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1743 -32.1743 -32.1743 -32.1743 -7.1987 -7.1987 -6.7798 -6.7798 -6.7773 -6.7740 -6.7342 -6.7342 0.6485 0.6485 0.6496 0.6593 0.9214 0.9214 1.4281 1.4281 1.8579 1.8810 1.8851 1.8851 2.0386 2.0430 2.0458 2.0458 2.1188 2.1188 2.3959 2.3959 2.5930 2.6152 2.6198 2.6198 3.5056 3.5056 3.5332 3.6402 3.6402 3.6433 3.7323 3.7323 3.7559 3.8083 3.8289 3.8289 3.9923 4.0700 4.0700 4.0831 4.1929 4.1929 4.3792 4.4109 4.4109 4.4525 4.4525 4.4591 5.6388 5.6486 5.6486 5.6489 5.6999 5.6999 7.4397 7.4397 7.4406 7.4409 7.8211 7.8211 8.0739 8.0808 8.0808 8.0816 10.0864 10.0864 11.0456 11.0468 k = 0.3431 0.3431 0.3431 ( 6073 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1744 -32.1744 -7.1763 -7.1763 -6.7864 -6.7864 -6.7838 -6.7807 -6.7410 -6.7410 0.6486 0.6486 0.6501 0.6596 0.8899 0.8899 1.4216 1.4216 1.8655 1.8886 1.8924 1.8924 2.0394 2.0447 2.0473 2.0473 2.1123 2.1123 2.3998 2.3998 2.5861 2.6072 2.6130 2.6130 3.5048 3.5048 3.5377 3.6439 3.6439 3.6505 3.7313 3.7313 3.7640 3.8100 3.8273 3.8273 3.9936 4.0728 4.0728 4.0837 4.1737 4.1737 4.3746 4.4014 4.4014 4.4380 4.4380 4.4517 5.6673 5.6762 5.6833 5.6833 5.7312 5.7312 7.4489 7.4489 7.4497 7.4501 7.8501 7.8501 8.0845 8.0919 8.0919 8.0925 10.0930 10.0930 10.9744 10.9748 k = 0.3529 0.3529 0.3529 ( 6076 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1744 -32.1744 -7.1543 -7.1543 -6.7928 -6.7928 -6.7901 -6.7871 -6.7479 -6.7479 0.6476 0.6476 0.6494 0.6585 0.8592 0.8592 1.4136 1.4136 1.8737 1.8969 1.9004 1.9004 2.0404 2.0469 2.0488 2.0488 2.1065 2.1065 2.4063 2.4063 2.5797 2.5995 2.6066 2.6066 3.5040 3.5040 3.5430 3.6476 3.6476 3.6579 3.7297 3.7297 3.7713 3.8110 3.8255 3.8255 3.9955 4.0750 4.0750 4.0842 4.1573 4.1573 4.3686 4.3901 4.3901 4.4242 4.4242 4.4427 5.6973 5.7052 5.7167 5.7167 5.7641 5.7641 7.4581 7.4581 7.4587 7.4592 7.8794 7.8794 8.0950 8.1028 8.1028 8.1031 10.0985 10.0985 10.8995 10.8999 k = 0.3627 0.3627 0.3627 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1744 -32.1744 -7.1328 -7.1328 -6.7988 -6.7988 -6.7960 -6.7932 -6.7548 -6.7548 0.6456 0.6456 0.6477 0.6564 0.8295 0.8295 1.4042 1.4042 1.8824 1.9060 1.9089 1.9089 2.0415 2.0494 2.0500 2.0500 2.1014 2.1014 2.4149 2.4149 2.5738 2.5923 2.6005 2.6005 3.5032 3.5032 3.5492 3.6514 3.6514 3.6655 3.7277 3.7277 3.7780 3.8111 3.8234 3.8234 3.9981 4.0764 4.0764 4.0849 4.1440 4.1440 4.3612 4.3770 4.3770 4.4110 4.4110 4.4321 5.7285 5.7353 5.7494 5.7494 5.7976 5.7976 7.4672 7.4672 7.4677 7.4682 7.9088 7.9088 8.1051 8.1132 8.1132 8.1134 10.1031 10.1031 10.8222 10.8233 k = 0.3725 0.3725 0.3725 ( 6064 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1744 -32.1744 -7.1118 -7.1118 -6.8045 -6.8045 -6.8016 -6.7989 -6.7617 -6.7617 0.6427 0.6427 0.6451 0.6535 0.8012 0.8012 1.3939 1.3939 1.8916 1.9156 1.9180 1.9180 2.0426 2.0510 2.0510 2.0521 2.0973 2.0973 2.4253 2.4253 2.5684 2.5855 2.5949 2.5949 3.5023 3.5023 3.5561 3.6551 3.6551 3.6731 3.7252 3.7252 3.7840 3.8107 3.8211 3.8211 4.0014 4.0769 4.0769 4.0856 4.1344 4.1344 4.3527 4.3626 4.3626 4.3983 4.3983 4.4202 5.7605 5.7664 5.7817 5.7817 5.8307 5.8307 7.4764 7.4764 7.4767 7.4773 7.9380 7.9380 8.1147 8.1230 8.1230 8.1230 10.1070 10.1070 10.7443 10.7460 k = 0.3824 0.3824 0.3824 ( 6067 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1744 -32.1744 -7.0915 -7.0915 -6.8098 -6.8098 -6.8068 -6.8043 -6.7686 -6.7686 0.6391 0.6391 0.6419 0.6498 0.7743 0.7743 1.3829 1.3829 1.9011 1.9257 1.9275 1.9275 2.0435 2.0513 2.0513 2.0546 2.0940 2.0940 2.4369 2.4369 2.5634 2.5792 2.5897 2.5897 3.5012 3.5012 3.5638 3.6589 3.6589 3.6807 3.7221 3.7221 3.7893 3.8095 3.8187 3.8187 4.0055 4.0763 4.0763 4.0864 4.1286 4.1286 4.3433 4.3473 4.3473 4.3856 4.3856 4.4070 5.7928 5.7978 5.8136 5.8136 5.8630 5.8630 7.4856 7.4856 7.4857 7.4863 7.9667 7.9667 8.1237 8.1320 8.1321 8.1321 10.1103 10.1103 10.6669 10.6692 k = 0.3922 0.3922 0.3922 ( 6067 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1744 -32.1744 -32.1744 -32.1744 -7.0719 -7.0719 -6.8148 -6.8148 -6.8117 -6.8094 -6.7755 -6.7755 0.6351 0.6351 0.6383 0.6456 0.7489 0.7489 1.3716 1.3716 1.9108 1.9362 1.9372 1.9372 2.0441 2.0509 2.0509 2.0570 2.0916 2.0916 2.4494 2.4494 2.5590 2.5734 2.5850 2.5850 3.5000 3.5000 3.5721 3.6625 3.6625 3.6880 3.7186 3.7186 3.7940 3.8078 3.8163 3.8163 4.0102 4.0750 4.0750 4.0874 4.1263 4.1263 4.3315 4.3315 4.3332 4.3728 4.3728 4.3929 5.8249 5.8292 5.8447 5.8447 5.8940 5.8940 7.4947 7.4947 7.4948 7.4953 7.9947 7.9947 8.1320 8.1401 8.1404 8.1404 10.1130 10.1130 10.5914 10.5941 k = 0.4020 0.4020 0.4020 ( 6067 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0531 -7.0531 -6.8194 -6.8194 -6.8162 -6.8140 -6.7825 -6.7825 0.6307 0.6307 0.6343 0.6411 0.7253 0.7253 1.3603 1.3603 1.9208 1.9469 1.9469 1.9469 2.0442 2.0500 2.0500 2.0590 2.0900 2.0900 2.4624 2.4624 2.5550 2.5680 2.5808 2.5808 3.4986 3.4986 3.5810 3.6661 3.6661 3.6948 3.7146 3.7146 3.7980 3.8057 3.8139 3.8139 4.0158 4.0737 4.0737 4.0886 4.1266 4.1266 4.3157 4.3157 4.3226 4.3597 4.3597 4.3779 5.8565 5.8601 5.8749 5.8749 5.9235 5.9235 7.5039 7.5039 7.5039 7.5044 8.0216 8.0216 8.1395 8.1473 8.1478 8.1478 10.1154 10.1154 10.5186 10.5217 k = 0.4118 0.4118 0.4118 ( 6070 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -7.0352 -7.0352 -6.8236 -6.8236 -6.8202 -6.8183 -6.7896 -6.7896 0.6263 0.6263 0.6303 0.6364 0.7035 0.7035 1.3492 1.3492 1.9308 1.9565 1.9565 1.9576 2.0439 2.0486 2.0486 2.0606 2.0890 2.0890 2.4754 2.4754 2.5516 2.5631 2.5770 2.5770 3.4970 3.4970 3.5905 3.6696 3.6696 3.7009 3.7104 3.7104 3.8014 3.8033 3.8118 3.8118 4.0221 4.0729 4.0729 4.0899 4.1289 4.1289 4.2999 4.2999 4.3117 4.3463 4.3463 4.3624 5.8870 5.8899 5.9037 5.9037 5.9511 5.9511 7.5130 7.5130 7.5130 7.5134 8.0471 8.0471 8.1460 8.1535 8.1541 8.1541 10.1174 10.1174 10.4497 10.4530 k = 0.4216 0.4216 0.4216 ( 6058 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -7.0181 -7.0181 -6.8274 -6.8274 -6.8239 -6.8221 -6.7966 -6.7966 0.6218 0.6218 0.6263 0.6318 0.6837 0.6837 1.3387 1.3387 1.9407 1.9659 1.9659 1.9682 2.0430 2.0470 2.0470 2.0615 2.0882 2.0882 2.4881 2.4881 2.5486 2.5587 2.5738 2.5738 3.4953 3.4953 3.6005 3.6729 3.6729 3.7059 3.7061 3.7061 3.8011 3.8041 3.8099 3.8099 4.0291 4.0730 4.0730 4.0914 4.1327 4.1327 4.2845 4.2845 4.3009 4.3328 4.3328 4.3467 5.9158 5.9183 5.9306 5.9306 5.9769 5.9769 7.5220 7.5220 7.5220 7.5223 8.0710 8.0710 8.1516 8.1586 8.1595 8.1595 10.1192 10.1192 10.3855 10.3889 k = 0.4314 0.4314 0.4314 ( 6058 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -7.0021 -7.0021 -6.8307 -6.8307 -6.8271 -6.8256 -6.8037 -6.8037 0.6175 0.6175 0.6224 0.6273 0.6660 0.6660 1.3290 1.3290 1.9505 1.9747 1.9747 1.9786 2.0416 2.0453 2.0453 2.0618 2.0875 2.0875 2.5001 2.5001 2.5461 2.5549 2.5712 2.5712 3.4935 3.4935 3.6108 3.6760 3.6760 3.7019 3.7019 3.7096 3.7991 3.8062 3.8084 3.8084 4.0367 4.0740 4.0740 4.0929 4.1376 4.1376 4.2697 4.2697 4.2903 4.3193 4.3193 4.3309 5.9426 5.9446 5.9552 5.9552 6.0004 6.0004 7.5306 7.5307 7.5307 7.5309 8.0929 8.0929 8.1562 8.1626 8.1637 8.1637 10.1207 10.1207 10.3269 10.3302 k = 0.4412 0.4412 0.4412 ( 6055 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9873 -6.9873 -6.8337 -6.8337 -6.8299 -6.8286 -6.8106 -6.8106 0.6134 0.6134 0.6189 0.6231 0.6505 0.6505 1.3202 1.3202 1.9601 1.9830 1.9830 1.9886 2.0396 2.0438 2.0438 2.0614 2.0868 2.0868 2.5110 2.5110 2.5440 2.5515 2.5691 2.5691 3.4916 3.4916 3.6213 3.6788 3.6788 3.6979 3.6979 3.7115 3.7978 3.8071 3.8071 3.8076 4.0448 4.0760 4.0760 4.0944 4.1434 4.1434 4.2556 4.2556 4.2804 4.3060 4.3060 4.3154 5.9669 5.9685 5.9772 5.9772 6.0216 6.0216 7.5389 7.5389 7.5389 7.5391 8.1126 8.1126 8.1600 8.1656 8.1671 8.1671 10.1219 10.1219 10.2745 10.2776 k = 0.4510 0.4510 0.4510 ( 6055 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9737 -6.9737 -6.8363 -6.8363 -6.8323 -6.8312 -6.8174 -6.8174 0.6097 0.6097 0.6158 0.6193 0.6374 0.6374 1.3124 1.3124 1.9694 1.9904 1.9904 1.9981 2.0370 2.0426 2.0426 2.0601 2.0859 2.0859 2.5204 2.5204 2.5424 2.5485 2.5677 2.5677 3.4897 3.4897 3.6321 3.6811 3.6811 3.6945 3.6945 3.7113 3.7973 3.8062 3.8062 3.8085 4.0533 4.0786 4.0786 4.0957 4.1499 4.1499 4.2425 4.2425 4.2713 4.2931 4.2931 4.3007 5.9883 5.9895 5.9961 5.9961 6.0402 6.0402 7.5465 7.5465 7.5465 7.5466 8.1298 8.1298 8.1628 8.1678 8.1695 8.1695 10.1230 10.1230 10.2290 10.2319 k = 0.4608 0.4608 0.4608 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9616 -6.9616 -6.8385 -6.8385 -6.8342 -6.8333 -6.8238 -6.8238 0.6064 0.6064 0.6132 0.6160 0.6267 0.6267 1.3059 1.3059 1.9783 1.9968 1.9968 2.0066 2.0341 2.0418 2.0418 2.0580 2.0849 2.0849 2.5281 2.5281 2.5412 2.5461 2.5669 2.5669 3.4879 3.4879 3.6428 3.6829 3.6829 3.6917 3.6917 3.7091 3.7977 3.8055 3.8055 3.8087 4.0618 4.0816 4.0816 4.0966 4.1568 4.1568 4.2306 4.2306 4.2636 4.2811 4.2811 4.2870 6.0063 6.0072 6.0117 6.0117 6.0559 6.0559 7.5531 7.5532 7.5532 7.5532 8.1441 8.1441 8.1650 8.1691 8.1713 8.1713 10.1239 10.1239 10.1911 10.1935 k = 0.4706 0.4706 0.4706 ( 6050 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9513 -6.9513 -6.8403 -6.8403 -6.8357 -6.8350 -6.8294 -6.8294 0.6034 0.6034 0.6111 0.6133 0.6186 0.6186 1.3008 1.3008 1.9868 2.0018 2.0018 2.0135 2.0316 2.0414 2.0414 2.0551 2.0839 2.0839 2.5339 2.5339 2.5405 2.5440 2.5668 2.5668 3.4864 3.4864 3.6535 3.6838 3.6838 3.6899 3.6899 3.7049 3.7989 3.8050 3.8050 3.8083 4.0701 4.0847 4.0847 4.0968 4.1639 4.1639 4.2202 4.2202 4.2575 4.2703 4.2703 4.2751 6.0207 6.0214 6.0240 6.0240 6.0686 6.0686 7.5587 7.5587 7.5587 7.5587 8.1555 8.1555 8.1666 8.1697 8.1725 8.1725 10.1244 10.1244 10.1612 10.1631 k = 0.4804 0.4804 0.4804 ( 6038 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9433 -6.9433 -6.8419 -6.8419 -6.8367 -6.8362 -6.8338 -6.8338 0.6010 0.6010 0.6097 0.6112 0.6131 0.6131 1.2970 1.2970 1.9947 2.0055 2.0055 2.0163 2.0319 2.0414 2.0414 2.0513 2.0829 2.0829 2.5377 2.5377 2.5401 2.5425 2.5672 2.5672 3.4853 3.4853 3.6639 3.6838 3.6838 3.6894 3.6894 3.6990 3.8006 3.8047 3.8047 3.8074 4.0779 4.0874 4.0874 4.0960 4.1707 4.1707 4.2116 4.2116 4.2535 4.2615 4.2615 4.2652 6.0313 6.0317 6.0328 6.0328 6.0778 6.0778 7.5628 7.5628 7.5628 7.5628 8.1635 8.1635 8.1678 8.1699 8.1734 8.1734 10.1245 10.1245 10.1396 10.1409 k = 0.4902 0.4902 0.4902 ( 6014 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9381 -6.9381 -6.8432 -6.8432 -6.8373 -6.8370 -6.8365 -6.8365 0.5992 0.5992 0.6090 0.6097 0.6100 0.6100 1.2948 1.2948 2.0020 2.0078 2.0078 2.0137 2.0362 2.0416 2.0416 2.0468 2.0823 2.0823 2.5399 2.5399 2.5401 2.5413 2.5677 2.5677 3.4846 3.4846 3.6739 3.6834 3.6834 3.6895 3.6895 3.6917 3.8025 3.8045 3.8045 3.8061 4.0847 4.0893 4.0893 4.0938 4.1763 4.1763 4.2054 4.2054 4.2521 4.2556 4.2556 4.2579 6.0377 6.0379 6.0382 6.0382 6.0835 6.0835 7.5654 7.5654 7.5654 7.5654 8.1680 8.1680 8.1687 8.1697 8.1743 8.1743 10.1236 10.1236 10.1267 10.1274 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9363 -6.9363 -6.8437 -6.8437 -6.8374 -6.8374 -6.8374 -6.8374 0.5986 0.5986 0.6090 0.6090 0.6090 0.6090 1.2940 1.2940 2.0085 2.0085 2.0085 2.0085 2.0417 2.0417 2.0417 2.0417 2.0820 2.0820 2.5405 2.5405 2.5405 2.5405 2.5679 2.5679 3.4844 3.4844 3.6832 3.6832 3.6832 3.6832 3.6896 3.6896 3.8045 3.8045 3.8045 3.8045 4.0900 4.0900 4.0900 4.0900 4.1787 4.1787 4.2029 4.2029 4.2535 4.2535 4.2535 4.2535 6.0399 6.0399 6.0399 6.0399 6.0854 6.0854 7.5663 7.5663 7.5663 7.5663 8.1693 8.1693 8.1693 8.1693 8.1748 8.1748 10.1226 10.1226 10.1226 10.1226 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9363 -6.9363 -6.8437 -6.8437 -6.8374 -6.8374 -6.8374 -6.8374 0.5986 0.5986 0.6090 0.6090 0.6090 0.6090 1.2940 1.2940 2.0085 2.0085 2.0085 2.0085 2.0417 2.0417 2.0417 2.0417 2.0820 2.0820 2.5405 2.5405 2.5405 2.5405 2.5679 2.5679 3.4844 3.4844 3.6832 3.6832 3.6832 3.6832 3.6896 3.6896 3.8045 3.8045 3.8045 3.8045 4.0900 4.0900 4.0900 4.0900 4.1787 4.1787 4.2029 4.2029 4.2535 4.2535 4.2535 4.2535 6.0399 6.0399 6.0399 6.0399 6.0854 6.0854 7.5663 7.5663 7.5663 7.5663 8.1693 8.1693 8.1693 8.1693 8.1748 8.1748 10.1226 10.1226 10.1226 10.1226 k = 0.4878 0.5000 0.4878 ( 6012 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9382 -6.9382 -6.8432 -6.8432 -6.8373 -6.8371 -6.8364 -6.8364 0.5992 0.5992 0.6091 0.6098 0.6099 0.6101 1.2948 1.2948 2.0021 2.0063 2.0092 2.0137 2.0363 2.0403 2.0429 2.0468 2.0823 2.0823 2.5397 2.5401 2.5401 2.5412 2.5677 2.5677 3.4846 3.4846 3.6741 3.6811 3.6857 3.6895 3.6895 3.6916 3.8026 3.8040 3.8050 3.8061 4.0846 4.0882 4.0904 4.0938 4.1761 4.1765 4.2051 4.2057 4.2522 4.2551 4.2562 4.2581 6.0374 6.0376 6.0383 6.0384 6.0834 6.0834 7.5649 7.5649 7.5659 7.5659 8.1677 8.1682 8.1687 8.1697 8.1742 8.1743 10.1240 10.1243 10.1264 10.1270 k = 0.4756 0.5000 0.4756 ( 6048 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9434 -6.9434 -6.8422 -6.8421 -6.8369 -6.8364 -6.8334 -6.8332 0.6011 0.6011 0.6101 0.6114 0.6127 0.6131 1.2971 1.2971 1.9947 2.0029 2.0078 2.0169 2.0309 2.0395 2.0435 2.0512 2.0829 2.0831 2.5376 2.5383 2.5399 2.5422 2.5671 2.5671 3.4853 3.4854 3.6642 3.6794 3.6872 3.6890 3.6904 3.6989 3.8006 3.8037 3.8055 3.8075 4.0773 4.0857 4.0888 4.0964 4.1703 4.1721 4.2093 4.2128 4.2538 4.2612 4.2616 4.2664 6.0300 6.0303 6.0335 6.0337 6.0776 6.0777 7.5607 7.5607 7.5647 7.5647 8.1627 8.1642 8.1678 8.1696 8.1730 8.1737 10.1272 10.1281 10.1363 10.1368 k = 0.4634 0.5000 0.4634 ( 6060 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9515 -6.9515 -6.8415 -6.8413 -6.8356 -6.8350 -6.8284 -6.8280 0.6036 0.6036 0.6122 0.6141 0.6176 0.6183 1.3010 1.3010 1.9867 1.9987 2.0037 2.0178 2.0262 2.0406 2.0433 2.0551 2.0840 2.0845 2.5340 2.5350 2.5398 2.5432 2.5666 2.5667 3.4864 3.4866 3.6540 3.6781 3.6866 3.6884 3.6931 3.7054 3.7989 3.8035 3.8060 3.8086 4.0683 4.0829 4.0855 4.0980 4.1644 4.1681 4.2133 4.2220 4.2586 4.2694 4.2708 4.2776 6.0176 6.0182 6.0254 6.0258 6.0683 6.0686 7.5540 7.5541 7.5628 7.5628 8.1541 8.1566 8.1665 8.1690 8.1719 8.1730 10.1314 10.1331 10.1506 10.1507 k = 0.4512 0.5000 0.4512 ( 6060 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9618 -6.9617 -6.8413 -6.8411 -6.8335 -6.8326 -6.8219 -6.8215 0.6062 0.6066 0.6158 0.6179 0.6248 0.6258 1.3063 1.3064 1.9780 1.9939 1.9972 2.0161 2.0221 2.0421 2.0433 2.0584 2.0854 2.0864 2.5286 2.5302 2.5398 2.5443 2.5667 2.5668 3.4879 3.4883 3.6435 3.6773 3.6853 3.6878 3.6961 3.7111 3.7976 3.8034 3.8064 3.8095 4.0584 4.0799 4.0811 4.0980 4.1599 4.1654 4.2166 4.2322 4.2665 4.2799 4.2827 4.2908 6.0004 6.0014 6.0142 6.0147 6.0560 6.0565 7.5451 7.5454 7.5601 7.5602 8.1422 8.1456 8.1648 8.1677 8.1707 8.1720 10.1371 10.1394 10.1696 10.1700 k = 0.4390 0.5000 0.4390 ( 6052 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9736 -6.9735 -6.8415 -6.8413 -6.8304 -6.8294 -6.8146 -6.8141 0.6087 0.6096 0.6209 0.6231 0.6344 0.6356 1.3130 1.3131 1.9688 1.9885 1.9890 2.0118 2.0190 2.0400 2.0470 2.0612 2.0870 2.0886 2.5215 2.5235 2.5397 2.5451 2.5678 2.5678 3.4896 3.4902 3.6329 3.6767 3.6835 3.6873 3.6984 3.7164 3.7969 3.8035 3.8065 3.8104 4.0480 4.0761 4.0768 4.0964 4.1579 4.1645 4.2196 4.2424 4.2769 4.2929 4.2960 4.3051 5.9787 5.9799 5.9998 6.0005 6.0410 6.0419 7.5346 7.5350 7.5567 7.5568 8.1272 8.1315 8.1625 8.1657 8.1691 8.1703 10.1444 10.1472 10.1938 10.1944 k = 0.4268 0.5000 0.4268 ( 6042 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9867 -6.9866 -6.8420 -6.8418 -6.8265 -6.8255 -6.8068 -6.8062 0.6112 0.6127 0.6274 0.6296 0.6461 0.6476 1.3211 1.3212 1.9591 1.9795 1.9827 2.0056 2.0162 2.0371 2.0510 2.0636 2.0889 2.0909 2.5126 2.5149 2.5396 2.5457 2.5699 2.5701 3.4913 3.4922 3.6224 3.6759 3.6813 3.6872 3.6993 3.7218 3.7970 3.8038 3.8062 3.8113 4.0377 4.0710 4.0738 4.0933 4.1581 4.1653 4.2226 4.2527 4.2888 4.3084 4.3103 4.3198 5.9526 5.9542 5.9823 5.9831 6.0238 6.0250 7.5228 7.5234 7.5525 7.5527 8.1096 8.1145 8.1593 8.1628 8.1666 8.1679 10.1534 10.1568 10.2232 10.2239 k = 0.4146 0.5000 0.4146 ( 6046 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -7.0008 -7.0007 -6.8428 -6.8426 -6.8219 -6.8208 -6.7987 -6.7980 0.6137 0.6158 0.6350 0.6371 0.6599 0.6616 1.3303 1.3305 1.9490 1.9693 1.9764 1.9983 2.0132 2.0333 2.0550 2.0657 2.0909 2.0933 2.5019 2.5046 2.5395 2.5462 2.5730 2.5735 3.4929 3.4940 3.6123 3.6748 3.6786 3.6878 3.6985 3.7277 3.7977 3.8043 3.8055 3.8123 4.0277 4.0661 4.0711 4.0895 4.1602 4.1676 4.2262 4.2629 4.3014 4.3253 4.3256 4.3347 5.9229 5.9248 5.9619 5.9628 6.0045 6.0059 7.5102 7.5111 7.5475 7.5479 8.0895 8.0950 8.1552 8.1591 8.1631 8.1645 10.1644 10.1683 10.2574 10.2583 k = 0.4024 0.5000 0.4024 ( 6050 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -7.0158 -7.0155 -6.8438 -6.8437 -6.8166 -6.8154 -6.7905 -6.7897 0.6163 0.6190 0.6436 0.6457 0.6755 0.6774 1.3405 1.3409 1.9386 1.9586 1.9697 1.9903 2.0098 2.0289 2.0588 2.0675 2.0932 2.0958 2.4897 2.4927 2.5396 2.5470 2.5771 2.5780 3.4943 3.4953 3.6029 3.6732 3.6755 3.6891 3.6965 3.7340 3.7988 3.8043 3.8052 3.8135 4.0185 4.0617 4.0690 4.0855 4.1633 4.1708 4.2308 4.2733 4.3139 4.3410 4.3431 4.3505 5.8901 5.8922 5.9389 5.9399 5.9832 5.9848 7.4971 7.4983 7.5418 7.5424 8.0673 8.0733 8.1500 8.1543 8.1585 8.1600 10.1772 10.1815 10.2963 10.2973 k = 0.3902 0.5000 0.3902 ( 6054 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0314 -7.0311 -6.8452 -6.8451 -6.8107 -6.8093 -6.7821 -6.7813 0.6190 0.6222 0.6530 0.6552 0.6930 0.6949 1.3516 1.3521 1.9279 1.9475 1.9627 1.9816 2.0060 2.0240 2.0622 2.0691 2.0960 2.0984 2.4761 2.4793 2.5402 2.5481 2.5822 2.5834 3.4951 3.4955 3.5946 3.6712 3.6719 3.6910 3.6938 3.7405 3.7999 3.8029 3.8066 3.8147 4.0101 4.0578 4.0676 4.0821 4.1670 4.1746 4.2368 4.2840 4.3256 4.3576 4.3580 4.3694 5.8550 5.8571 5.9136 5.9146 5.9601 5.9617 7.4839 7.4855 7.5353 7.5361 8.0434 8.0497 8.1436 8.1485 8.1526 8.1544 10.1920 10.1966 10.3397 10.3407 k = 0.3780 0.5000 0.3780 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0475 -7.0472 -6.8468 -6.8468 -6.8041 -6.8027 -6.7737 -6.7728 0.6216 0.6254 0.6632 0.6655 0.7119 0.7139 1.3633 1.3641 1.9172 1.9362 1.9555 1.9723 2.0019 2.0185 2.0654 2.0706 2.0992 2.1013 2.4611 2.4645 2.5414 2.5498 2.5880 2.5895 3.4944 3.4954 3.5879 3.6675 3.6689 3.6911 3.6934 3.7470 3.8008 3.8014 3.8085 3.8159 4.0029 4.0547 4.0673 4.0795 4.1707 4.1784 4.2444 4.2953 4.3359 4.3702 4.3750 4.3908 5.8181 5.8201 5.8865 5.8874 5.9351 5.9366 7.4708 7.4729 7.5280 7.5292 8.0181 8.0245 8.1361 8.1413 8.1456 8.1475 10.2086 10.2135 10.3872 10.3882 k = 0.3659 0.5000 0.3659 ( 6052 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0641 -7.0638 -6.8488 -6.8488 -6.7969 -6.7954 -6.7651 -6.7642 0.6242 0.6284 0.6740 0.6764 0.7323 0.7343 1.3755 1.3766 1.9063 1.9248 1.9480 1.9627 1.9975 2.0128 2.0682 2.0720 2.1031 2.1045 2.4451 2.4486 2.5433 2.5523 2.5946 2.5963 3.4915 3.4948 3.5830 3.6625 3.6665 3.6891 3.6960 3.7532 3.7998 3.8014 3.8108 3.8171 3.9969 4.0524 4.0681 4.0781 4.1742 4.1820 4.2535 4.3072 4.3445 4.3805 4.3932 4.4135 5.7803 5.7820 5.8578 5.8586 5.9084 5.9096 7.4581 7.4606 7.5199 7.5216 7.9919 7.9982 8.1273 8.1329 8.1373 8.1393 10.2269 10.2321 10.4387 10.4397 k = 0.3537 0.5000 0.3537 ( 6062 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1744 -32.1744 -7.0811 -7.0807 -6.8511 -6.8511 -6.7893 -6.7876 -6.7565 -6.7555 0.6265 0.6313 0.6853 0.6878 0.7538 0.7558 1.3879 1.3893 1.8954 1.9134 1.9405 1.9529 1.9928 2.0067 2.0709 2.0735 2.1076 2.1081 2.4281 2.4317 2.5462 2.5556 2.6019 2.6036 3.4867 3.4932 3.5799 3.6568 3.6639 3.6881 3.6986 3.7589 3.7983 3.8020 3.8131 3.8184 3.9922 4.0511 4.0701 4.0777 4.1773 4.1853 4.2639 4.3195 4.3514 4.3889 4.4121 4.4370 5.7420 5.7432 5.8281 5.8286 5.8800 5.8806 7.4458 7.4488 7.5109 7.5131 7.9651 7.9711 8.1173 8.1231 8.1279 8.1297 10.2467 10.2521 10.4938 10.4948 k = 0.3415 0.5000 0.3415 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1744 -32.1744 -7.0984 -7.0979 -6.8538 -6.8537 -6.7811 -6.7794 -6.7478 -6.7468 0.6285 0.6338 0.6970 0.6996 0.7763 0.7782 1.4002 1.4021 1.8847 1.9020 1.9329 1.9430 1.9879 2.0005 2.0735 2.0754 2.1121 2.1127 2.4104 2.4139 2.5501 2.5599 2.6097 2.6114 3.4804 3.4905 3.5784 3.6507 3.6612 3.6883 3.7011 3.7638 3.7970 3.8023 3.8153 3.8197 3.9890 4.0508 4.0731 4.0787 4.1798 4.1884 4.2755 4.3324 4.3564 4.3953 4.4315 4.4610 5.7039 5.7043 5.7976 5.7978 5.8499 5.8502 7.4341 7.4375 7.5010 7.5039 7.9382 7.9437 8.1063 8.1119 8.1174 8.1189 10.2679 10.2735 10.5523 10.5533 k = 0.3293 0.5000 0.3293 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1743 -32.1743 -7.1158 -7.1154 -6.8568 -6.8567 -6.7724 -6.7706 -6.7390 -6.7380 0.6301 0.6358 0.7089 0.7116 0.7996 0.8014 1.4123 1.4146 1.8741 1.8909 1.9253 1.9331 1.9829 1.9942 2.0765 2.0778 2.1166 2.1184 2.3921 2.3955 2.5551 2.5652 2.6182 2.6198 3.4728 3.4868 3.5781 3.6445 3.6586 3.6896 3.7031 3.7678 3.7961 3.8026 3.8174 3.8212 3.9872 4.0515 4.0772 4.0808 4.1817 4.1915 4.2877 4.3458 4.3598 4.3997 4.4512 4.4854 5.6657 5.6664 5.7664 5.7669 5.8176 5.8192 7.4229 7.4268 7.4900 7.4939 7.9117 7.9164 8.0941 8.0993 8.1061 8.1069 10.2903 10.2959 10.6139 10.6149 k = 0.3171 0.5000 0.3171 ( 6072 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1743 -32.1743 -7.1334 -7.1329 -6.8601 -6.8600 -6.7633 -6.7615 -6.7302 -6.7291 0.6312 0.6373 0.7209 0.7238 0.8235 0.8250 1.4238 1.4267 1.8639 1.8801 1.9179 1.9234 1.9778 1.9878 2.0800 2.0810 2.1215 2.1246 2.3734 2.3766 2.5614 2.5715 2.6272 2.6286 3.4645 3.4820 3.5784 3.6384 3.6559 3.6922 3.7045 3.7707 3.7956 3.8027 3.8193 3.8229 3.9870 4.0531 4.0819 4.0843 4.1828 4.1946 4.2998 4.3594 4.3622 4.4020 4.4711 4.5101 5.6277 5.6298 5.7347 5.7361 5.7839 5.7875 7.4124 7.4167 7.4779 7.4828 7.8860 7.8897 8.0809 8.0855 8.0939 8.0940 10.3135 10.3191 10.6782 10.6792 k = 0.3049 0.5000 0.3049 ( 6076 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1743 -32.1743 -7.1510 -7.1505 -6.8637 -6.8637 -6.7539 -6.7520 -6.7213 -6.7201 0.6317 0.6382 0.7328 0.7358 0.8477 0.8489 1.4346 1.4380 1.8540 1.8697 1.9107 1.9140 1.9725 1.9814 2.0842 2.0852 2.1270 2.1312 2.3545 2.3574 2.5688 2.5789 2.6367 2.6378 3.4558 3.4762 3.5790 3.6323 3.6533 3.6958 3.7050 3.7725 3.7956 3.8024 3.8209 3.8250 3.9882 4.0557 4.0870 4.0890 4.1831 4.1980 4.3101 4.3651 4.3727 4.4030 4.4911 4.5348 5.5902 5.5942 5.7031 5.7056 5.7493 5.7554 7.4025 7.4073 7.4646 7.4707 7.8616 7.8640 8.0667 8.0703 8.0800 8.0812 10.3372 10.3428 10.7450 10.7460 k = 0.2927 0.5000 0.2927 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1743 -32.1743 -7.1687 -7.1681 -6.8676 -6.8676 -6.7441 -6.7422 -6.7123 -6.7111 0.6315 0.6383 0.7446 0.7477 0.8719 0.8729 1.4444 1.4485 1.8446 1.8597 1.9038 1.9051 1.9673 1.9751 2.0894 2.0905 2.1329 2.1383 2.3355 2.3380 2.5776 2.5874 2.6467 2.6475 3.4470 3.4697 3.5796 3.6265 3.6507 3.7005 3.7044 3.7732 3.7960 3.8018 3.8225 3.8276 3.9908 4.0589 4.0920 4.0950 4.1826 4.2018 4.3160 4.3712 4.3825 4.4055 4.5111 4.5595 5.5532 5.5595 5.6717 5.6758 5.7141 5.7235 7.3933 7.3984 7.4500 7.4573 7.8387 7.8397 8.0513 8.0541 8.0656 8.0680 10.3612 10.3667 10.8138 10.8149 k = 0.2805 0.5000 0.2805 ( 6074 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1744 -32.1744 -32.1742 -32.1742 -7.1862 -7.1856 -6.8717 -6.8717 -6.7341 -6.7321 -6.7033 -6.7021 0.6306 0.6376 0.7561 0.7593 0.8961 0.8967 1.4531 1.4579 1.8358 1.8505 1.8968 1.8974 1.9620 1.9689 2.0956 2.0971 2.1393 2.1457 2.3166 2.3187 2.5877 2.5970 2.6572 2.6577 3.4384 3.4626 3.5799 3.6209 3.6481 3.7027 3.7060 3.7728 3.7968 3.8008 3.8242 3.8310 3.9947 4.0627 4.0964 4.1022 4.1813 4.2062 4.3157 4.3826 4.3835 4.4153 4.5309 4.5840 5.5164 5.5256 5.6411 5.6471 5.6789 5.6926 7.3846 7.3902 7.4340 7.4427 7.8173 7.8179 8.0349 8.0368 8.0509 8.0544 10.3852 10.3905 10.8845 10.8857 k = 0.2683 0.5000 0.2683 ( 6078 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1742 -32.1742 -7.2035 -7.2030 -6.8761 -6.8761 -6.7238 -6.7218 -6.6943 -6.6931 0.6287 0.6361 0.7671 0.7704 0.9199 0.9201 1.4606 1.4660 1.8277 1.8419 1.8891 1.8914 1.9568 1.9628 2.1029 2.1048 2.1461 2.1534 2.2981 2.2997 2.5992 2.6079 2.6682 2.6682 3.4302 3.4550 3.5799 3.6155 3.6457 3.6999 3.7123 3.7714 3.7977 3.7995 3.8258 3.8353 3.9997 4.0670 4.0998 4.1104 4.1791 4.2109 4.3099 4.3775 4.3988 4.4304 4.5504 4.6082 5.4793 5.4918 5.6115 5.6195 5.6447 5.6631 7.3766 7.3825 7.4166 7.4267 7.7970 7.7994 8.0173 8.0186 8.0362 8.0407 10.4087 10.4138 10.9566 10.9579 k = 0.2561 0.5000 0.2561 ( 6082 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1742 -32.1742 -7.2206 -7.2201 -6.8807 -6.8806 -6.7135 -6.7114 -6.6853 -6.6841 0.6260 0.6335 0.7777 0.7809 0.9428 0.9431 1.4668 1.4729 1.8204 1.8342 1.8822 1.8860 1.9516 1.9569 2.1111 2.1135 2.1535 2.1614 2.2800 2.2810 2.6121 2.6199 2.6793 2.6797 3.4224 3.4472 3.5794 3.6104 3.6433 3.6961 3.7193 3.7688 3.7981 3.7987 3.8276 3.8405 4.0056 4.0715 4.1019 4.1194 4.1762 4.2157 4.3006 4.3680 4.4184 4.4476 4.5696 4.6320 5.4412 5.4575 5.5835 5.5929 5.6128 5.6356 7.3691 7.3753 7.3978 7.4093 7.7791 7.7832 7.9990 7.9998 8.0217 8.0268 10.4315 10.4363 11.0297 11.0313 k = 0.2439 0.5000 0.2439 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1741 -32.1741 -7.2374 -7.2369 -6.8854 -6.8854 -6.7030 -6.7009 -6.6763 -6.6751 0.6224 0.6301 0.7875 0.7908 0.9648 0.9655 1.4717 1.4784 1.8140 1.8275 1.8762 1.8813 1.9464 1.9510 2.1201 2.1232 2.1612 2.1696 2.2627 2.2629 2.6263 2.6330 2.6908 2.6917 3.4151 3.4393 3.5782 3.6053 3.6410 3.6916 3.7266 3.7651 3.7968 3.7995 3.8295 3.8465 4.0122 4.0762 4.1024 4.1287 4.1729 4.2198 4.2896 4.3561 4.4404 4.4661 4.5883 4.6551 5.4016 5.4218 5.5575 5.5663 5.5852 5.6107 7.3621 7.3686 7.3779 7.3906 7.7636 7.7695 7.9799 7.9805 8.0073 8.0130 10.4533 10.4578 11.1034 11.1053 k = 0.2317 0.5000 0.2317 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1741 -32.1741 -7.2538 -7.2533 -6.8902 -6.8902 -6.6924 -6.6904 -6.6674 -6.6663 0.6179 0.6256 0.7967 0.8000 0.9857 0.9868 1.4754 1.4827 1.8087 1.8219 1.8711 1.8772 1.9414 1.9455 2.1297 2.1336 2.1695 2.1779 2.2455 2.2463 2.6418 2.6474 2.7027 2.7043 3.4085 3.4314 3.5763 3.6006 3.6390 3.6865 3.7343 3.7604 3.7956 3.8002 3.8315 3.8532 4.0193 4.0810 4.1014 4.1371 4.1701 4.2220 4.2788 4.3424 4.4645 4.4855 4.6064 4.6775 5.3604 5.3844 5.5337 5.5396 5.5630 5.5886 7.3555 7.3567 7.3627 7.3709 7.7507 7.7582 7.9605 7.9610 7.9933 7.9993 10.4739 10.4780 11.1774 11.1796 k = 0.2195 0.5000 0.2195 ( 6094 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1741 -32.1741 -7.2698 -7.2693 -6.8951 -6.8951 -6.6819 -6.6799 -6.6587 -6.6575 0.6125 0.6202 0.8050 0.8083 1.0053 1.0070 1.4780 1.4857 1.8046 1.8175 1.8669 1.8737 1.9365 1.9402 2.1396 2.1443 2.1781 2.1862 2.2291 2.2313 2.6587 2.6630 2.7152 2.7174 3.4024 3.4235 3.5737 3.5959 3.6372 3.6812 3.7420 3.7551 3.7947 3.8008 3.8336 3.8603 4.0266 4.0858 4.0991 4.1421 4.1706 4.2199 4.2712 4.3273 4.4900 4.5057 4.6239 4.6991 5.3174 5.3449 5.5123 5.5139 5.5454 5.5695 7.3352 7.3471 7.3526 7.3569 7.7401 7.7491 7.9411 7.9416 7.9796 7.9859 10.4930 10.4967 11.2512 11.2537 k = 0.2073 0.5000 0.2073 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1744 -32.1744 -32.1741 -32.1741 -7.2853 -7.2848 -6.9000 -6.9000 -6.6715 -6.6696 -6.6500 -6.6489 0.6063 0.6140 0.8126 0.8158 1.0237 1.0258 1.4795 1.4875 1.8017 1.8145 1.8636 1.8710 1.9317 1.9352 2.1490 2.1549 2.1869 2.1937 2.2142 2.2187 2.6768 2.6797 2.7282 2.7310 3.3970 3.4158 3.5702 3.5915 3.6357 3.6757 3.7463 3.7525 3.7940 3.8014 3.8358 3.8675 4.0334 4.0903 4.0955 4.1411 4.1768 4.2120 4.2689 4.3113 4.5167 4.5264 4.6406 4.7194 5.2729 5.3034 5.4906 5.4934 5.5314 5.5534 7.3130 7.3274 7.3452 7.3515 7.7317 7.7419 7.9219 7.9226 7.9664 7.9728 10.5104 10.5136 11.3242 11.3271 k = 0.1951 0.5000 0.1951 ( 6114 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3002 -7.2997 -6.9050 -6.9049 -6.6613 -6.6593 -6.6416 -6.6405 0.5994 0.6069 0.8192 0.8224 1.0406 1.0431 1.4801 1.4882 1.8001 1.8128 1.8611 1.8689 1.9271 1.9303 2.1567 2.1647 2.1932 2.1972 2.2037 2.2128 2.6960 2.6975 2.7417 2.7451 3.3919 3.4081 3.5659 3.5871 3.6347 3.6704 3.7407 3.7591 3.7935 3.8020 3.8381 3.8746 4.0391 4.0909 4.0942 4.1359 4.1868 4.2002 4.2708 4.2950 4.5439 4.5475 4.6564 4.7384 5.2271 5.2602 5.4700 5.4770 5.5203 5.5401 7.2907 7.3056 7.3401 7.3466 7.7249 7.7363 7.9034 7.9043 7.9537 7.9601 10.5258 10.5285 11.3960 11.3993 k = 0.1829 0.5000 0.1829 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3145 -7.3140 -6.9098 -6.9098 -6.6513 -6.6494 -6.6334 -6.6324 0.5918 0.5992 0.8250 0.8281 1.0559 1.0588 1.4798 1.4880 1.8000 1.8126 1.8595 1.8674 1.9226 1.9258 2.1602 2.1704 2.1892 2.1954 2.2086 2.2173 2.7162 2.7162 2.7557 2.7598 3.3873 3.4006 3.5609 3.5830 3.6341 3.6655 3.7336 3.7668 3.7934 3.8026 3.8403 3.8813 4.0425 4.0855 4.0966 4.1292 4.1879 4.1984 4.2751 4.2792 4.5687 4.5713 4.6713 4.7558 5.1805 5.2159 5.4526 5.4633 5.5119 5.5294 7.2685 7.2835 7.3355 7.3421 7.7195 7.7318 7.8859 7.8871 7.9415 7.9479 10.5392 10.5414 11.4661 11.4689 k = 0.1707 0.5000 0.1707 ( 6120 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3282 -7.3277 -6.9146 -6.9145 -6.6415 -6.6397 -6.6255 -6.6245 0.5838 0.5909 0.8300 0.8329 1.0696 1.0729 1.4788 1.4869 1.8012 1.8138 1.8586 1.8664 1.9184 1.9215 2.1569 2.1649 2.1925 2.1976 2.2179 2.2251 2.7358 2.7371 2.7702 2.7750 3.3829 3.3932 3.5554 3.5789 3.6339 3.6611 3.7263 3.7742 3.7935 3.8033 3.8424 3.8873 4.0426 4.0790 4.0965 4.1229 4.1780 4.2104 4.2649 4.2804 4.5898 4.5981 4.6851 4.7712 5.1335 5.1709 5.4383 5.4525 5.5055 5.5210 7.2466 7.2615 7.3314 7.3380 7.7149 7.7277 7.8701 7.8715 7.9300 7.9362 10.5504 10.5520 11.5041 11.5249 k = 0.1585 0.5000 0.1585 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1740 -32.1740 -7.3411 -7.3406 -6.9192 -6.9191 -6.6321 -6.6303 -6.6180 -6.6170 0.5753 0.5821 0.8341 0.8369 1.0818 1.0853 1.4772 1.4851 1.8039 1.8164 1.8584 1.8660 1.9143 1.9175 2.1493 2.1547 2.2008 2.2040 2.2274 2.2334 2.7560 2.7586 2.7852 2.7908 3.3785 3.3858 3.5496 3.5750 3.6341 3.6573 3.7190 3.7812 3.7941 3.8041 3.8441 3.8925 4.0390 4.0704 4.0923 4.1180 4.1731 4.2211 4.2543 4.2864 4.6105 4.6240 4.6978 4.7844 5.0865 5.1257 5.4275 5.4447 5.5010 5.5145 7.2254 7.2399 7.3277 7.3341 7.7105 7.7236 7.8564 7.8579 7.9191 7.9252 10.5593 10.5603 11.4334 11.4492 k = 0.1463 0.5000 0.1463 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3533 -7.3528 -6.9236 -6.9236 -6.6231 -6.6214 -6.6107 -6.6098 0.5667 0.5731 0.8375 0.8401 1.0924 1.0961 1.4752 1.4827 1.8077 1.8203 1.8588 1.8660 1.9105 1.9138 2.1404 2.1444 2.2096 2.2118 2.2367 2.2416 2.7767 2.7804 2.8007 2.8070 3.3739 3.3784 3.5440 3.5712 3.6347 3.6543 3.7120 3.7874 3.7955 3.8051 3.8453 3.8966 4.0324 4.0589 4.0846 4.1134 4.1741 4.2268 4.2525 4.2926 4.6306 4.6484 4.7092 4.7950 5.0400 5.0806 5.4202 5.4402 5.4980 5.5096 7.2050 7.2190 7.3244 7.3306 7.7056 7.7186 7.8455 7.8470 7.9090 7.9148 10.5657 10.5661 11.3593 11.3746 k = 0.1341 0.5000 0.1341 ( 6108 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3646 -7.3642 -6.9278 -6.9278 -6.6145 -6.6130 -6.6039 -6.6031 0.5580 0.5640 0.8401 0.8426 1.1016 1.1053 1.4728 1.4798 1.8128 1.8254 1.8596 1.8664 1.9068 1.9103 2.1315 2.1346 2.2182 2.2198 2.2456 2.2496 2.7976 2.8021 2.8166 2.8235 3.3689 3.3709 3.5389 3.5675 3.6355 3.6523 3.7052 3.7915 3.7987 3.8062 3.8457 3.8993 4.0238 4.0449 4.0749 4.1068 4.1804 4.2267 4.2609 4.2990 4.6497 4.6706 4.7193 4.8029 4.9943 5.0362 5.4165 5.4388 5.4961 5.5059 7.1856 7.1989 7.3215 7.3274 7.6999 7.7124 7.8377 7.8390 7.8996 7.9052 10.5696 10.5697 11.2875 11.3027 k = 0.1220 0.5000 0.1220 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9991 -32.9991 -32.1743 -32.1743 -32.1739 -32.1739 -7.3751 -7.3747 -6.9318 -6.9318 -6.6065 -6.6050 -6.5975 -6.5967 0.5494 0.5550 0.8422 0.8445 1.1093 1.1130 1.4701 1.4766 1.8187 1.8313 1.8609 1.8671 1.9034 1.9071 2.1231 2.1256 2.2263 2.2274 2.2538 2.2571 2.8183 2.8236 2.8327 2.8403 3.3632 3.3632 3.5347 3.5640 3.6364 3.6514 3.6990 3.7935 3.8038 3.8076 3.8451 3.9006 4.0139 4.0298 4.0644 4.0971 4.1905 4.2276 4.2733 4.3055 4.6678 4.6905 4.7281 4.8079 4.9500 4.9927 5.4162 5.4404 5.4952 5.5033 7.1674 7.1799 7.3189 7.3245 7.6930 7.7047 7.8332 7.8340 7.8911 7.8962 10.5705 10.5711 11.2194 11.2343 k = 0.1098 0.5000 0.1098 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.3847 -7.3844 -6.9355 -6.9355 -6.5991 -6.5977 -6.5916 -6.5909 0.5411 0.5462 0.8437 0.8458 1.1158 1.1194 1.4673 1.4731 1.8254 1.8379 1.8625 1.8681 1.9002 1.9041 2.1152 2.1174 2.2339 2.2346 2.2613 2.2641 2.8387 2.8443 2.8490 2.8571 3.3553 3.3567 3.5316 3.5607 3.6373 3.6518 3.6932 3.7946 3.8092 3.8092 3.8436 3.9004 4.0029 4.0154 4.0537 4.0845 4.2033 4.2318 4.2868 4.3118 4.6846 4.7077 4.7354 4.8098 4.9077 4.9507 5.4192 5.4448 5.4952 5.5014 7.1506 7.1621 7.3166 7.3218 7.6852 7.6958 7.8314 7.8318 7.8833 7.8880 10.5689 10.5700 11.1559 11.1704 k = 0.0976 0.5000 0.0976 ( 6112 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.3934 -7.3931 -6.9389 -6.9389 -6.5923 -6.5910 -6.5862 -6.5856 0.5332 0.5378 0.8448 0.8467 1.1212 1.1245 1.4644 1.4697 1.8326 1.8448 1.8643 1.8694 1.8973 1.9013 2.1079 2.1099 2.2407 2.2411 2.2681 2.2704 2.8584 2.8641 2.8652 2.8738 3.3471 3.3493 3.5297 3.5576 3.6382 3.6534 3.6880 3.7947 3.8110 3.8139 3.8415 3.8985 3.9899 4.0039 4.0430 4.0698 4.2178 4.2388 4.3003 4.3179 4.6999 4.7221 4.7415 4.8083 4.8684 4.9104 5.4249 5.4512 5.4957 5.5001 7.1352 7.1456 7.3146 7.3194 7.6768 7.6861 7.8318 7.8319 7.8764 7.8806 10.5650 10.5664 11.0983 11.1121 k = 0.0854 0.5000 0.0854 ( 6096 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1739 -32.1739 -7.4011 -7.4008 -6.9419 -6.9419 -6.5861 -6.5850 -6.5814 -6.5808 0.5259 0.5300 0.8455 0.8472 1.1255 1.1286 1.4617 1.4663 1.8398 1.8519 1.8663 1.8708 1.8947 1.8988 2.1013 2.1032 2.2470 2.2470 2.2740 2.2761 2.8769 2.8812 2.8825 2.8899 3.3389 3.3413 3.5292 3.5548 3.6394 3.6564 3.6834 3.7933 3.8132 3.8174 3.8404 3.8952 3.9759 3.9958 4.0326 4.0542 4.2335 4.2481 4.3135 4.3236 4.7137 4.7334 4.7466 4.8013 4.8351 4.8725 5.4329 5.4592 5.4967 5.4993 7.1214 7.1307 7.3130 7.3173 7.6682 7.6763 7.8336 7.8339 7.8703 7.8740 10.5589 10.5605 11.0472 11.0600 k = 0.0732 0.5000 0.0732 ( 6104 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4079 -7.4076 -6.9446 -6.9446 -6.5807 -6.5797 -6.5771 -6.5766 0.5193 0.5228 0.8459 0.8474 1.1290 1.1318 1.4591 1.4630 1.8469 1.8585 1.8683 1.8726 1.8925 1.8965 2.0954 2.0971 2.2522 2.2524 2.2792 2.2810 2.8941 2.8966 2.8994 2.9051 3.3307 3.3328 3.5297 3.5522 3.6410 3.6604 3.6793 3.7888 3.8158 3.8197 3.8414 3.8906 3.9622 3.9904 4.0219 4.0388 4.2501 4.2587 4.3257 4.3284 4.7256 4.7414 4.7510 4.7829 4.8152 4.8376 5.4421 5.4679 5.4981 5.4988 7.1092 7.1174 7.3116 7.3154 7.6599 7.6668 7.8363 7.8368 7.8651 7.8682 10.5511 10.5527 11.0033 11.0149 k = 0.0610 0.5000 0.0610 ( 6096 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4136 -7.4134 -6.9470 -6.9469 -6.5760 -6.5752 -6.5734 -6.5730 0.5135 0.5165 0.8462 0.8474 1.1318 1.1342 1.4569 1.4601 1.8534 1.8644 1.8705 1.8746 1.8907 1.8945 2.0902 2.0918 2.2566 2.2571 2.2836 2.2851 2.9095 2.9110 2.9145 2.9189 3.3227 3.3243 3.5311 3.5499 3.6432 3.6658 3.6755 3.7806 3.8190 3.8220 3.8443 3.8848 3.9501 3.9871 4.0100 4.0256 4.2669 4.2702 4.3323 4.3366 4.7338 4.7459 4.7546 4.7592 4.8053 4.8071 5.4519 5.4763 5.4987 5.4998 7.0989 7.1058 7.3106 7.3137 7.6523 7.6580 7.8397 7.8400 7.8609 7.8632 10.5422 10.5436 10.9670 10.9771 k = 0.0488 0.5000 0.0488 ( 6098 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4184 -7.4182 -6.9489 -6.9489 -6.5722 -6.5715 -6.5703 -6.5700 0.5087 0.5111 0.8463 0.8473 1.1340 1.1359 1.4549 1.4575 1.8589 1.8690 1.8726 1.8768 1.8895 1.8927 2.0859 2.0873 2.2603 2.2609 2.2872 2.2885 2.9228 2.9240 2.9274 2.9306 3.3153 3.3163 3.5329 3.5479 3.6458 3.6721 3.6724 3.7692 3.8225 3.8252 3.8477 3.8782 3.9405 3.9856 3.9960 4.0156 4.2817 4.2836 4.3348 4.3452 4.7260 4.7449 4.7519 4.7562 4.7851 4.7974 5.4614 5.4832 5.4993 5.5017 7.0905 7.0960 7.3097 7.3123 7.6458 7.6504 7.8430 7.8431 7.8576 7.8590 10.5329 10.5342 10.9382 10.9465 k = 0.0366 0.5000 0.0366 ( 6110 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4221 -7.4219 -6.9504 -6.9504 -6.5691 -6.5686 -6.5679 -6.5677 0.5049 0.5068 0.8464 0.8471 1.1356 1.1370 1.4534 1.4553 1.8633 1.8717 1.8748 1.8789 1.8892 1.8912 2.0824 2.0835 2.2633 2.2638 2.2900 2.2910 2.9340 2.9348 2.9379 2.9400 3.3088 3.3093 3.5350 3.5460 3.6489 3.6688 3.6805 3.7558 3.8266 3.8293 3.8500 3.8712 3.9344 3.9812 3.9857 4.0080 4.2928 4.2993 4.3361 4.3509 4.7089 4.7327 4.7574 4.7579 4.7763 4.7899 5.4699 5.4875 5.5012 5.5038 7.0839 7.0881 7.3092 7.3111 7.6406 7.6440 7.8455 7.8460 7.8553 7.8558 10.5243 10.5253 10.9167 10.9231 k = 0.0244 0.5000 0.0244 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4247 -7.4246 -6.9515 -6.9514 -6.5670 -6.5666 -6.5661 -6.5659 0.5023 0.5035 0.8464 0.8469 1.1367 1.1377 1.4524 1.4537 1.8667 1.8727 1.8768 1.8804 1.8896 1.8904 2.0799 2.0807 2.2655 2.2659 2.2921 2.2928 2.9427 2.9431 2.9455 2.9467 3.3037 3.3039 3.5371 3.5443 3.6523 3.6656 3.6901 3.7417 3.8311 3.8339 3.8507 3.8641 3.9330 3.9671 3.9870 4.0019 4.3031 4.3124 4.3368 4.3530 4.6966 4.7159 4.7609 4.7632 4.7744 4.7826 5.4768 5.4887 5.5040 5.5057 7.0794 7.0823 7.3089 7.3102 7.6370 7.6392 7.8471 7.8481 7.8536 7.8540 10.5173 10.5180 10.9022 10.9064 k = 0.0122 0.5000 0.0122 ( 6102 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4263 -7.4262 -6.9521 -6.9521 -6.5657 -6.5655 -6.5649 -6.5648 0.5008 0.5014 0.8465 0.8467 1.1375 1.1380 1.4519 1.4525 1.8692 1.8724 1.8786 1.8807 1.8902 1.8903 2.0784 2.0789 2.2669 2.2671 2.2934 2.2938 2.9484 2.9485 2.9499 2.9504 3.3004 3.3005 3.5390 3.5426 3.6557 3.6624 3.7013 3.7275 3.8355 3.8380 3.8502 3.8574 3.9363 3.9543 3.9894 3.9969 4.3117 4.3193 4.3396 4.3511 4.6912 4.7018 4.7649 4.7678 4.7731 4.7759 5.4819 5.4878 5.5064 5.5071 7.0770 7.0784 7.3089 7.3095 7.6349 7.6360 7.8480 7.8489 7.8529 7.8535 10.5128 10.5132 10.8940 10.8962 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -58.5702 -58.5702 -32.9990 -32.9990 -32.1743 -32.1743 -32.1738 -32.1738 -7.4268 -7.4268 -6.9523 -6.9523 -6.5652 -6.5652 -6.5645 -6.5645 0.5005 0.5005 0.8465 0.8465 1.1379 1.1379 1.4519 1.4519 1.8711 1.8711 1.8800 1.8800 1.8903 1.8903 2.0781 2.0781 2.2674 2.2674 2.2940 2.2940 2.9509 2.9509 2.9510 2.9510 3.2992 3.2992 3.5408 3.5408 3.6590 3.6590 3.7138 3.7138 3.8387 3.8387 3.8520 3.8520 3.9437 3.9437 3.9927 3.9927 4.3178 4.3178 4.3458 4.3458 4.6931 4.6931 4.7698 4.7698 4.7712 4.7712 5.4855 5.4855 5.5075 5.5075 7.0767 7.0767 7.3091 7.3091 7.6346 7.6346 7.8485 7.8485 7.8532 7.8532 10.5114 10.5114 10.8921 10.8921 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1525 -7.1525 -6.8578 -6.8578 -6.8510 -6.8510 -6.6555 -6.6555 0.8471 0.8471 0.8558 0.8558 0.8805 0.8805 1.7272 1.7272 1.7822 1.7822 1.8609 1.8609 1.8881 1.8881 1.9026 1.9026 2.2142 2.2142 2.3092 2.3092 2.4901 2.4901 2.5024 2.5024 3.4348 3.4348 3.6175 3.6175 3.6408 3.6408 3.7449 3.7449 3.8101 3.8101 3.9364 3.9364 3.9684 3.9684 4.2920 4.2920 4.3083 4.3083 4.3770 4.3770 4.4411 4.4411 4.4889 4.4889 5.1620 5.1620 5.1820 5.1820 5.9033 5.9033 7.2710 7.2710 7.5146 7.5146 7.6114 7.6114 8.0224 8.0224 8.0305 8.0305 11.1284 11.1284 11.1319 11.1319 k = 0.5000 0.5000 0.0172 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1521 -7.1521 -6.8578 -6.8578 -6.8509 -6.8509 -6.6558 -6.6558 0.8462 0.8462 0.8549 0.8549 0.8796 0.8796 1.7206 1.7206 1.7877 1.7877 1.8612 1.8612 1.8886 1.8886 1.9030 1.9030 2.2139 2.2139 2.3103 2.3103 2.4902 2.4902 2.5026 2.5026 3.4352 3.4352 3.6177 3.6177 3.6404 3.6404 3.7451 3.7451 3.8101 3.8101 3.9353 3.9353 3.9676 3.9676 4.2909 4.2909 4.3081 4.3081 4.3769 4.3769 4.4402 4.4402 4.4892 4.4892 5.1641 5.1641 5.1853 5.1853 5.9037 5.9037 7.2704 7.2704 7.5172 7.5172 7.6114 7.6114 8.0230 8.0230 8.0310 8.0310 11.1254 11.1254 11.1289 11.1289 k = 0.5000 0.5000 0.0345 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1740 -32.1740 -7.1509 -7.1509 -6.8576 -6.8576 -6.8508 -6.8508 -6.6567 -6.6567 0.8438 0.8438 0.8525 0.8525 0.8771 0.8771 1.7056 1.7056 1.7997 1.7997 1.8620 1.8620 1.8902 1.8902 1.9044 1.9044 2.2131 2.2131 2.3137 2.3137 2.4907 2.4907 2.5031 2.5031 3.4364 3.4364 3.6184 3.6184 3.6393 3.6393 3.7459 3.7459 3.8104 3.8104 3.9324 3.9324 3.9655 3.9655 4.2877 4.2877 4.3074 4.3074 4.3766 4.3766 4.4380 4.4380 4.4902 4.4902 5.1704 5.1704 5.1948 5.1948 5.9051 5.9051 7.2689 7.2689 7.5249 7.5249 7.6112 7.6112 8.0247 8.0247 8.0327 8.0327 11.1166 11.1166 11.1200 11.1200 k = 0.5000 0.5000 0.0517 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1490 -7.1490 -6.8574 -6.8574 -6.8506 -6.8506 -6.6582 -6.6582 0.8397 0.8397 0.8484 0.8484 0.8729 0.8729 1.6869 1.6869 1.8134 1.8134 1.8634 1.8634 1.8929 1.8929 1.9067 1.9067 2.2117 2.2117 2.3192 2.3192 2.4914 2.4914 2.5040 2.5040 3.4385 3.4385 3.6195 3.6195 3.6375 3.6375 3.7471 3.7471 3.8108 3.8108 3.9276 3.9276 3.9622 3.9622 4.2830 4.2830 4.3059 4.3059 4.3757 4.3757 4.4344 4.4344 4.4915 4.4915 5.1815 5.1815 5.2099 5.2099 5.9073 5.9073 7.2668 7.2668 7.5371 7.5371 7.6111 7.6111 8.0276 8.0276 8.0355 8.0355 11.1020 11.1020 11.1052 11.1052 k = 0.5000 0.5000 0.0690 ( 6116 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1463 -7.1463 -6.8571 -6.8571 -6.8503 -6.8503 -6.6602 -6.6602 0.8342 0.8342 0.8428 0.8428 0.8670 0.8670 1.6665 1.6665 1.8271 1.8271 1.8654 1.8654 1.8965 1.8965 1.9099 1.9099 2.2098 2.2098 2.3268 2.3268 2.4924 2.4924 2.5052 2.5052 3.4414 3.4414 3.6211 3.6211 3.6350 3.6350 3.7487 3.7487 3.8112 3.8112 3.9213 3.9213 3.9578 3.9578 4.2771 4.2771 4.3036 4.3036 4.3741 4.3741 4.4298 4.4298 4.4930 4.4930 5.1975 5.1975 5.2300 5.2300 5.9104 5.9104 7.2646 7.2646 7.5531 7.5531 7.6112 7.6112 8.0315 8.0315 8.0393 8.0393 11.0817 11.0817 11.0847 11.0847 k = 0.5000 0.5000 0.0862 ( 6100 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1428 -7.1428 -6.8567 -6.8567 -6.8500 -6.8500 -6.6629 -6.6629 0.8272 0.8272 0.8358 0.8358 0.8597 0.8597 1.6451 1.6451 1.8399 1.8399 1.8682 1.8682 1.9009 1.9009 1.9140 1.9140 2.2074 2.2074 2.3361 2.3361 2.4937 2.4937 2.5068 2.5068 3.4451 3.4451 3.6232 3.6232 3.6321 3.6321 3.7507 3.7507 3.8118 3.8118 3.9137 3.9137 3.9526 3.9526 4.2704 4.2704 4.3005 4.3005 4.3715 4.3715 4.4244 4.4244 4.4943 4.4943 5.2183 5.2183 5.2546 5.2546 5.9143 5.9143 7.2629 7.2629 7.5715 7.5715 7.6124 7.6124 8.0364 8.0364 8.0441 8.0441 11.0558 11.0558 11.0585 11.0585 k = 0.5000 0.5000 0.1034 ( 6092 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1385 -7.1385 -6.8562 -6.8562 -6.8496 -6.8496 -6.6662 -6.6662 0.8189 0.8189 0.8275 0.8275 0.8509 0.8509 1.6233 1.6233 1.8515 1.8515 1.8718 1.8718 1.9062 1.9062 1.9188 1.9188 2.2045 2.2045 2.3469 2.3469 2.4953 2.4953 2.5087 2.5087 3.4495 3.4495 3.6254 3.6254 3.6288 3.6288 3.7528 3.7528 3.8125 3.8125 3.9051 3.9051 3.9470 3.9470 4.2630 4.2630 4.2966 4.2966 4.3675 4.3675 4.4183 4.4183 4.4951 4.4951 5.2438 5.2438 5.2833 5.2833 5.9189 5.9189 7.2622 7.2622 7.5886 7.5886 7.6177 7.6177 8.0422 8.0422 8.0497 8.0497 11.0247 11.0247 11.0271 11.0271 k = 0.5000 0.5000 0.1207 ( 6084 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1336 -7.1336 -6.8556 -6.8556 -6.8491 -6.8491 -6.6700 -6.6700 0.8094 0.8094 0.8180 0.8180 0.8408 0.8408 1.6012 1.6012 1.8615 1.8615 1.8769 1.8769 1.9121 1.9121 1.9245 1.9245 2.2011 2.2011 2.3589 2.3589 2.4971 2.4971 2.5109 2.5109 3.4546 3.4546 3.6242 3.6242 3.6289 3.6289 3.7550 3.7550 3.8130 3.8130 3.8956 3.8956 3.9414 3.9414 4.2550 4.2550 4.2921 4.2921 4.3621 4.3621 4.4117 4.4117 4.4954 4.4954 5.2736 5.2736 5.3155 5.3155 5.9243 5.9243 7.2629 7.2629 7.5970 7.5970 7.6342 7.6342 8.0489 8.0489 8.0562 8.0562 10.9886 10.9886 10.9906 10.9906 k = 0.5000 0.5000 0.1379 ( 6080 PWs) bands (ev): -58.5702 -58.5702 -32.9992 -32.9992 -32.1745 -32.1745 -32.1741 -32.1741 -7.1279 -7.1279 -6.8550 -6.8550 -6.8485 -6.8485 -6.6744 -6.6744 0.7989 0.7989 0.8074 0.8074 0.8296 0.8296 1.5791 1.5791 1.8693 1.8693 1.8838 1.8838 1.9185 1.9185 1.9308 1.9308 2.1972 2.1972 2.3718 2.3718 2.4991 2.4991 2.5133 2.5133 3.4603 3.4603 3.6202 3.6202 3.6319 3.6319 3.7573 3.7573 3.8134 3.8134 3.8855 3.8855 3.9362 3.9362 4.2465 4.2465 4.2871 4.2871 4.3552 4.3552 4.4046 4.4046 4.4948 4.4948 5.3073 5.3073 5.3509 5.3509 5.9304 5.9304 7.2652 7.2652 7.5986 7.5986 7.6594 7.6594 8.0562 8.0562 8.0634 8.0634 10.9480 10.9480 10.9497 10.9497 k = 0.5000 0.5000 0.1552 ( 6072 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1741 -32.1741 -7.1215 -7.1215 -6.8543 -6.8543 -6.8480 -6.8480 -6.6794 -6.6794 0.7875 0.7875 0.7960 0.7960 0.8173 0.8173 1.5571 1.5571 1.8754 1.8754 1.8923 1.8923 1.9253 1.9253 1.9379 1.9379 2.1929 2.1929 2.3853 2.3853 2.5013 2.5013 2.5160 2.5160 3.4664 3.4664 3.6158 3.6158 3.6353 3.6353 3.7594 3.7594 3.8135 3.8135 3.8750 3.8750 3.9320 3.9320 4.2376 4.2376 4.2817 4.2817 4.3469 4.3469 4.3973 4.3973 4.4932 4.4932 5.3444 5.3444 5.3892 5.3892 5.9370 5.9370 7.2695 7.2695 7.5982 7.5982 7.6883 7.6883 8.0642 8.0642 8.0711 8.0711 10.9035 10.9035 10.9048 10.9048 k = 0.5000 0.5000 0.1724 ( 6064 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1742 -32.1742 -7.1145 -7.1145 -6.8536 -6.8536 -6.8473 -6.8473 -6.6849 -6.6849 0.7754 0.7754 0.7838 0.7838 0.8041 0.8041 1.5353 1.5353 1.8808 1.8808 1.9014 1.9014 1.9325 1.9325 1.9455 1.9455 2.1881 2.1881 2.3991 2.3991 2.5036 2.5036 2.5189 2.5189 3.4729 3.4729 3.6114 3.6114 3.6390 3.6390 3.7614 3.7614 3.8132 3.8132 3.8646 3.8646 3.9290 3.9290 4.2282 4.2282 4.2760 4.2760 4.3373 4.3373 4.3896 4.3896 4.4904 4.4904 5.3845 5.3845 5.4297 5.4297 5.9441 5.9441 7.2759 7.2759 7.5970 7.5970 7.7194 7.7194 8.0726 8.0726 8.0793 8.0793 10.8554 10.8554 10.8566 10.8566 k = 0.5000 0.5000 0.1897 ( 6072 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1742 -32.1742 -7.1069 -7.1069 -6.8528 -6.8528 -6.8467 -6.8467 -6.6910 -6.6910 0.7628 0.7628 0.7711 0.7711 0.7902 0.7902 1.5140 1.5140 1.8862 1.8862 1.9106 1.9106 1.9398 1.9398 1.9536 1.9536 2.1828 2.1828 2.4129 2.4129 2.5061 2.5061 2.5220 2.5220 3.4794 3.4794 3.6071 3.6071 3.6429 3.6429 3.7632 3.7632 3.8121 3.8121 3.8545 3.8545 3.9275 3.9275 4.2186 4.2186 4.2702 4.2702 4.3266 4.3266 4.3816 4.3816 4.4864 4.4864 5.4270 5.4270 5.4723 5.4723 5.9516 5.9516 7.2844 7.2844 7.5953 7.5953 7.7518 7.7518 8.0813 8.0813 8.0878 8.0878 10.8046 10.8046 10.8057 10.8057 k = 0.5000 0.5000 0.2069 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1742 -32.1742 -7.0986 -7.0986 -6.8520 -6.8520 -6.8459 -6.8459 -6.6976 -6.6976 0.7498 0.7498 0.7580 0.7580 0.7758 0.7758 1.4932 1.4932 1.8917 1.8917 1.9198 1.9198 1.9472 1.9472 1.9621 1.9621 2.1773 2.1773 2.4266 2.4266 2.5087 2.5087 2.5251 2.5251 3.4858 3.4858 3.6033 3.6033 3.6470 3.6470 3.7646 3.7646 3.8102 3.8102 3.8451 3.8451 3.9278 3.9278 4.2086 4.2086 4.2642 4.2642 4.3150 4.3150 4.3734 4.3734 4.4809 4.4809 5.4715 5.4715 5.5163 5.5163 5.9595 5.9595 7.2951 7.2951 7.5935 7.5935 7.7852 7.7852 8.0902 8.0902 8.0964 8.0964 10.7515 10.7515 10.7529 10.7529 k = 0.5000 0.5000 0.2241 ( 6076 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1742 -32.1742 -7.0898 -7.0898 -6.8511 -6.8511 -6.8452 -6.8452 -6.7047 -6.7047 0.7365 0.7365 0.7446 0.7446 0.7611 0.7611 1.4729 1.4729 1.8974 1.8974 1.9288 1.9288 1.9546 1.9546 1.9708 1.9708 2.1712 2.1712 2.4398 2.4398 2.5113 2.5113 2.5284 2.5284 3.4918 3.4918 3.6001 3.6001 3.6511 3.6511 3.7657 3.7657 3.8070 3.8070 3.8371 3.8371 3.9298 3.9298 4.1985 4.1985 4.2583 4.2583 4.3027 4.3027 4.3648 4.3648 4.4740 4.4740 5.5174 5.5174 5.5614 5.5614 5.9676 5.9676 7.3079 7.3079 7.5915 7.5915 7.8191 7.8191 8.0990 8.0990 8.1051 8.1051 10.6971 10.6971 10.6988 10.6988 k = 0.5000 0.5000 0.2414 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1743 -32.1743 -7.0804 -7.0804 -6.8503 -6.8503 -6.8445 -6.8445 -6.7123 -6.7123 0.7232 0.7232 0.7312 0.7312 0.7463 0.7463 1.4534 1.4534 1.9035 1.9035 1.9378 1.9378 1.9620 1.9620 1.9797 1.9797 2.1649 2.1649 2.4525 2.4525 2.5141 2.5141 2.5318 2.5318 3.4969 3.4969 3.5982 3.5982 3.6553 3.6553 3.7661 3.7661 3.8028 3.8028 3.8308 3.8308 3.9336 3.9336 4.1883 4.1883 4.2524 4.2524 4.2900 4.2900 4.3562 4.3562 4.4657 4.4657 5.5643 5.5643 5.6072 5.6072 5.9759 5.9759 7.3228 7.3228 7.5893 7.5893 7.8533 7.8533 8.1078 8.1078 8.1136 8.1136 10.6420 10.6420 10.6441 10.6441 k = 0.5000 0.5000 0.2586 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1743 -32.1743 -7.0706 -7.0706 -6.8494 -6.8494 -6.8438 -6.8438 -6.7204 -6.7204 0.7099 0.7099 0.7179 0.7179 0.7315 0.7315 1.4346 1.4346 1.9098 1.9098 1.9466 1.9466 1.9692 1.9692 1.9885 1.9885 2.1583 2.1583 2.4645 2.4645 2.5169 2.5169 2.5353 2.5353 3.5010 3.5010 3.5976 3.5976 3.6595 3.6595 3.7656 3.7656 3.7980 3.7980 3.8262 3.8262 3.9391 3.9391 4.1781 4.1781 4.2467 4.2467 4.2771 4.2771 4.3472 4.3472 4.4558 4.4558 5.6115 5.6115 5.6533 5.6533 5.9843 5.9843 7.3395 7.3395 7.5871 7.5871 7.8873 7.8873 8.1162 8.1162 8.1219 8.1219 10.5869 10.5869 10.5895 10.5895 k = 0.5000 0.5000 0.2759 ( 6068 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1743 -32.1743 -7.0604 -7.0604 -6.8485 -6.8485 -6.8430 -6.8430 -6.7289 -6.7289 0.6969 0.6969 0.7048 0.7048 0.7170 0.7170 1.4167 1.4167 1.9164 1.9164 1.9553 1.9553 1.9763 1.9763 1.9972 1.9972 2.1514 2.1514 2.4756 2.4756 2.5196 2.5196 2.5387 2.5387 3.5035 3.5035 3.5987 3.5987 3.6635 3.6635 3.7636 3.7636 3.7937 3.7937 3.8229 3.8229 3.9462 3.9462 4.1680 4.1680 4.2410 4.2410 4.2643 4.2643 4.3382 4.3382 4.4444 4.4444 5.6587 5.6587 5.6991 5.6991 5.9927 5.9927 7.3578 7.3578 7.5849 7.5849 7.9208 7.9208 8.1243 8.1243 8.1297 8.1297 10.5325 10.5325 10.5355 10.5355 k = 0.5000 0.5000 0.2931 ( 6060 PWs) bands (ev): -58.5702 -58.5702 -32.9993 -32.9993 -32.1745 -32.1745 -32.1743 -32.1743 -7.0497 -7.0497 -6.8477 -6.8477 -6.8423 -6.8423 -6.7378 -6.7378 0.6843 0.6843 0.6921 0.6921 0.7028 0.7028 1.3997 1.3997 1.9233 1.9233 1.9639 1.9639 1.9830 1.9830 2.0058 2.0058 2.1443 2.1443 2.4859 2.4859 2.5223 2.5223 2.5422 2.5422 3.5046 3.5046 3.6015 3.6015 3.6673 3.6673 3.7597 3.7597 3.7910 3.7910 3.8204 3.8204 3.9547 3.9547 4.1581 4.1581 4.2353 4.2353 4.2519 4.2519 4.3292 4.3292 4.4315 4.4315 5.7053 5.7053 5.7441 5.7441 6.0010 6.0010 7.3776 7.3776 7.5827 7.5827 7.9535 7.9535 8.1318 8.1318 8.1371 8.1371 10.4794 10.4794 10.4829 10.4829 k = 0.5000 0.5000 0.3103 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0387 -7.0387 -6.8468 -6.8468 -6.8416 -6.8416 -6.7472 -6.7472 0.6721 0.6721 0.6800 0.6800 0.6892 0.6892 1.3837 1.3837 1.9304 1.9304 1.9722 1.9722 1.9895 1.9895 2.0139 2.0139 2.1370 2.1370 2.4952 2.4952 2.5250 2.5250 2.5455 2.5455 3.5043 3.5043 3.6060 3.6060 3.6710 3.6710 3.7543 3.7543 3.7900 3.7900 3.8185 3.8185 3.9646 3.9646 4.1486 4.1486 4.2289 4.2289 4.2409 4.2409 4.3201 4.3201 4.4173 4.4173 5.7508 5.7508 5.7880 5.7880 6.0091 6.0091 7.3984 7.3984 7.5805 7.5805 7.9850 7.9850 8.1387 8.1387 8.1438 8.1438 10.4283 10.4283 10.4322 10.4322 k = 0.5000 0.5000 0.3276 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0275 -7.0275 -6.8460 -6.8460 -6.8409 -6.8409 -6.7568 -6.7568 0.6605 0.6605 0.6684 0.6684 0.6764 0.6764 1.3689 1.3689 1.9377 1.9377 1.9802 1.9802 1.9955 1.9955 2.0217 2.0217 2.1295 2.1295 2.5036 2.5036 2.5275 2.5275 2.5488 2.5488 3.5029 3.5029 3.6117 3.6117 3.6743 3.6743 3.7478 3.7478 3.7901 3.7901 3.8168 3.8168 3.9757 3.9757 4.1396 4.1396 4.2205 4.2205 4.2329 4.2329 4.3112 4.3112 4.4019 4.4019 5.7946 5.7946 5.8302 5.8302 6.0170 6.0170 7.4199 7.4199 7.5783 7.5783 8.0149 8.0149 8.1449 8.1449 8.1498 8.1498 10.3797 10.3797 10.3839 10.3839 k = 0.5000 0.5000 0.3448 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0161 -7.0161 -6.8453 -6.8453 -6.8403 -6.8403 -6.7667 -6.7667 0.6496 0.6496 0.6577 0.6577 0.6644 0.6644 1.3552 1.3552 1.9452 1.9452 1.9879 1.9879 2.0012 2.0012 2.0288 2.0288 2.1221 2.1221 2.5109 2.5109 2.5299 2.5299 2.5520 2.5520 3.5007 3.5007 3.6184 3.6184 3.6773 3.6773 3.7410 3.7410 3.7910 3.7910 3.8154 3.8154 3.9878 3.9878 4.1312 4.1312 4.2105 4.2105 4.2276 4.2276 4.3024 4.3024 4.3853 4.3853 5.8364 5.8364 5.8701 5.8701 6.0246 6.0246 7.4417 7.4417 7.5763 7.5763 8.0429 8.0429 8.1504 8.1504 8.1551 8.1551 10.3341 10.3341 10.3386 10.3386 k = 0.5000 0.5000 0.3621 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1744 -32.1744 -7.0045 -7.0045 -6.8446 -6.8446 -6.8397 -6.8397 -6.7769 -6.7769 0.6396 0.6396 0.6478 0.6478 0.6534 0.6534 1.3427 1.3427 1.9528 1.9528 1.9950 1.9950 2.0063 2.0063 2.0353 2.0353 2.1146 2.1146 2.5173 2.5173 2.5322 2.5322 2.5550 2.5550 3.4982 3.4982 3.6256 3.6256 3.6799 3.6799 3.7342 3.7342 3.7922 3.7922 3.8141 3.8141 4.0010 4.0010 4.1235 4.1235 4.2005 4.2005 4.2237 4.2237 4.2939 4.2939 4.3679 4.3679 5.8755 5.8755 5.9073 5.9073 6.0319 6.0319 7.4632 7.4632 7.5743 7.5743 8.0687 8.0687 8.1550 8.1550 8.1596 8.1596 10.2920 10.2920 10.2968 10.2968 k = 0.5000 0.5000 0.3793 ( 6064 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9930 -6.9930 -6.8440 -6.8440 -6.8392 -6.8392 -6.7871 -6.7871 0.6304 0.6304 0.6388 0.6388 0.6434 0.6434 1.3316 1.3316 1.9605 1.9605 2.0015 2.0015 2.0111 2.0111 2.0409 2.0409 2.1073 2.1073 2.5228 2.5228 2.5342 2.5342 2.5578 2.5578 3.4955 3.4955 3.6331 3.6331 3.6822 3.6822 3.7274 3.7274 3.7937 3.7937 3.8128 3.8128 4.0148 4.0148 4.1166 4.1166 4.1912 4.1912 4.2207 4.2207 4.2857 4.2857 4.3498 4.3498 5.9115 5.9115 5.9410 5.9410 6.0391 6.0391 7.4840 7.4840 7.5726 7.5726 8.0920 8.0920 8.1589 8.1589 8.1633 8.1633 10.2538 10.2538 10.2588 10.2588 k = 0.5000 0.5000 0.3966 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9817 -6.9817 -6.8434 -6.8434 -6.8387 -6.8387 -6.7973 -6.7973 0.6223 0.6223 0.6310 0.6310 0.6347 0.6347 1.3218 1.3218 1.9683 1.9683 2.0069 2.0069 2.0156 2.0156 2.0455 2.0455 2.1004 2.1004 2.5275 2.5275 2.5360 2.5360 2.5603 2.5603 3.4928 3.4928 3.6407 3.6407 3.6843 3.6843 3.7208 3.7208 3.7954 3.7954 3.8117 3.8117 4.0291 4.0291 4.1106 4.1106 4.1833 4.1833 4.2183 4.2183 4.2781 4.2781 4.3315 4.3315 5.9439 5.9439 5.9706 5.9706 6.0462 6.0462 7.5036 7.5036 7.5710 7.5710 8.1125 8.1125 8.1621 8.1621 8.1664 8.1664 10.2200 10.2200 10.2250 10.2250 k = 0.5000 0.5000 0.4138 ( 6064 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9706 -6.9706 -6.8430 -6.8430 -6.8383 -6.8383 -6.8073 -6.8073 0.6152 0.6152 0.6242 0.6242 0.6271 0.6271 1.3134 1.3134 1.9760 1.9760 2.0110 2.0110 2.0201 2.0201 2.0487 2.0487 2.0942 2.0942 2.5313 2.5313 2.5376 2.5376 2.5625 2.5625 3.4904 3.4904 3.6482 3.6482 3.6859 3.6859 3.7144 3.7144 3.7970 3.7970 3.8105 3.8105 4.0434 4.0434 4.1054 4.1054 4.1770 4.1770 4.2163 4.2163 4.2710 4.2710 4.3131 4.3131 5.9722 5.9722 5.9953 5.9953 6.0535 6.0535 7.5213 7.5213 7.5696 7.5696 8.1301 8.1301 8.1646 8.1646 8.1688 8.1688 10.1908 10.1908 10.1956 10.1956 k = 0.5000 0.5000 0.4310 ( 6064 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9603 -6.9603 -6.8426 -6.8426 -6.8380 -6.8380 -6.8168 -6.8168 0.6093 0.6093 0.6186 0.6186 0.6208 0.6208 1.3065 1.3065 1.9835 1.9835 2.0136 2.0136 2.0246 2.0246 2.0504 2.0504 2.0891 2.0891 2.5344 2.5344 2.5389 2.5389 2.5644 2.5644 3.4883 3.4883 3.6557 3.6557 3.6872 3.6872 3.7081 3.7081 3.7986 3.7986 3.8093 3.8093 4.0569 4.0569 4.1012 4.1012 4.1729 4.1729 4.2145 4.2145 4.2647 4.2647 4.2955 4.2955 5.9960 5.9960 6.0141 6.0141 6.0616 6.0616 7.5367 7.5367 7.5684 7.5684 8.1445 8.1445 8.1665 8.1665 8.1706 8.1706 10.1665 10.1665 10.1708 10.1708 k = 0.5000 0.5000 0.4483 ( 6056 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9510 -6.9510 -6.8425 -6.8425 -6.8377 -6.8377 -6.8252 -6.8252 0.6046 0.6046 0.6143 0.6143 0.6159 0.6159 1.3010 1.3010 1.9908 1.9908 2.0146 2.0146 2.0291 2.0291 2.0503 2.0503 2.0854 2.0854 2.5368 2.5368 2.5398 2.5398 2.5659 2.5659 3.4866 3.4866 3.6629 3.6629 3.6882 3.6882 3.7019 3.7019 3.8002 3.8002 3.8082 3.8082 4.0691 4.0691 4.0978 4.0978 4.1715 4.1715 4.2123 4.2123 4.2594 4.2594 4.2795 4.2795 6.0150 6.0150 6.0270 6.0270 6.0701 6.0701 7.5493 7.5493 7.5675 7.5675 8.1557 8.1557 8.1678 8.1678 8.1721 8.1721 10.1474 10.1474 10.1506 10.1506 k = 0.5000 0.5000 0.4655 ( 6048 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9433 -6.9433 -6.8426 -6.8426 -6.8375 -6.8375 -6.8320 -6.8320 0.6013 0.6013 0.6112 0.6112 0.6122 0.6122 1.2971 1.2971 1.9975 1.9975 2.0141 2.0141 2.0334 2.0334 2.0484 2.0484 2.0832 2.0832 2.5386 2.5386 2.5405 2.5405 2.5670 2.5670 3.4853 3.4853 3.6699 3.6699 3.6889 3.6889 3.6958 3.6958 3.8017 3.8017 3.8070 3.8070 4.0788 4.0788 4.0951 4.0951 4.1730 4.1730 4.2092 4.2092 4.2553 4.2553 4.2664 4.2664 6.0287 6.0287 6.0347 6.0347 6.0780 6.0780 7.5586 7.5586 7.5668 7.5668 8.1636 8.1636 8.1687 8.1687 8.1732 8.1732 10.1336 10.1336 10.1354 10.1354 k = 0.5000 0.5000 0.4828 ( 6008 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9382 -6.9382 -6.8432 -6.8432 -6.8374 -6.8374 -6.8362 -6.8362 0.5992 0.5992 0.6094 0.6094 0.6100 0.6100 1.2948 1.2948 2.0036 2.0036 2.0121 2.0121 2.0377 2.0377 2.0454 2.0454 2.0823 2.0823 2.5399 2.5399 2.5407 2.5407 2.5676 2.5676 3.4846 3.4846 3.6767 3.6767 3.6891 3.6891 3.6899 3.6899 3.8031 3.8031 3.8058 3.8058 4.0857 4.0857 4.0928 4.0928 4.1765 4.1765 4.2052 4.2052 4.2531 4.2531 4.2577 4.2577 6.0371 6.0371 6.0387 6.0387 6.0834 6.0834 7.5643 7.5643 7.5664 7.5664 8.1679 8.1679 8.1693 8.1693 8.1743 8.1743 10.1253 10.1253 10.1259 10.1259 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -58.5702 -58.5702 -32.9994 -32.9994 -32.1745 -32.1745 -32.1745 -32.1745 -6.9363 -6.9363 -6.8437 -6.8437 -6.8374 -6.8374 -6.8374 -6.8374 0.5986 0.5986 0.6090 0.6090 0.6090 0.6090 1.2940 1.2940 2.0085 2.0085 2.0085 2.0085 2.0417 2.0417 2.0417 2.0417 2.0820 2.0820 2.5405 2.5405 2.5405 2.5405 2.5679 2.5679 3.4844 3.4844 3.6832 3.6832 3.6832 3.6832 3.6896 3.6896 3.8045 3.8045 3.8045 3.8045 4.0900 4.0900 4.0900 4.0900 4.1787 4.1787 4.2029 4.2029 4.2535 4.2535 4.2535 4.2535 6.0399 6.0399 6.0399 6.0399 6.0854 6.0854 7.5663 7.5663 7.5663 7.5663 8.1693 8.1693 8.1693 8.1693 8.1748 8.1748 10.1226 10.1226 10.1226 10.1226 Writing output data file VCu3S4.save init_run : 5.02s CPU 11.92s WALL ( 1 calls) electrons : 1701.96s CPU 1717.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1701.92s CPU 1717.52s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.98s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.16s CPU 0.58s WALL ( 1 calls) newd : 1.64s CPU 1.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.12s WALL ( 226 calls) cegterg : 1641.54s CPU 1654.86s WALL ( 832 calls) Called by sum_band: Called by *egterg: h_psi : 524.58s CPU 535.86s WALL ( 16298 calls) s_psi : 102.92s CPU 103.37s WALL ( 16298 calls) g_psi : 1.26s CPU 1.32s WALL ( 15240 calls) cdiaghg : 773.45s CPU 771.03s WALL ( 15466 calls) cegterg:over : 133.25s CPU 128.67s WALL ( 15240 calls) cegterg:upda : 39.29s CPU 42.92s WALL ( 15240 calls) cegterg:last : 27.38s CPU 27.83s WALL ( 1736 calls) Called by h_psi: h_psi:vloc : 335.28s CPU 343.58s WALL ( 16298 calls) h_psi:vnl : 188.64s CPU 190.99s WALL ( 16298 calls) add_vuspsi : 76.76s CPU 82.25s WALL ( 16298 calls) General routines calbec : 111.80s CPU 108.55s WALL ( 16298 calls) fft : 0.37s CPU 1.15s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 291.61s CPU 297.06s WALL ( 1698108 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 1.75s WALL ( 452 calls) Parallel routines fft_scatter : 198.80s CPU 194.83s WALL ( 1698131 calls) PWSCF : 29m31.00s CPU 31m33.73s WALL This run was terminated on: 0:31:34 30Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=